smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)N(Cc2cocn2)Cc2cocn2)sc1-c1ccccc1 ZINC000426374454 231209796 /nfs/dbraw/zinc/20/97/96/231209796.db2.gz YMIQIQNRNZCXGR-UHFFFAOYSA-N 0 0 379.441 4.542 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccccc1)CC2 ZINC000018174526 210214519 /nfs/dbraw/zinc/21/45/19/210214519.db2.gz XHLGTDJZWRQQEW-OAQYLSRUSA-N 0 0 394.496 4.945 50 0 GJAARN COc1ccc(NC(=O)c2cc(N3C[C@H](C)C[C@H](C)C3)nc3ccccc32)cc1 ZINC000018173556 210214174 /nfs/dbraw/zinc/21/41/74/210214174.db2.gz GOWWGNCXZGMPDC-CALCHBBNSA-N 0 0 389.499 4.978 50 0 GJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Cc1ccccc1 ZINC000017973378 210212119 /nfs/dbraw/zinc/21/21/19/210212119.db2.gz VOSZMAUZXPQAIX-UHFFFAOYSA-N 0 0 386.495 4.605 50 0 GJAARN Cc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135418 210206736 /nfs/dbraw/zinc/20/67/36/210206736.db2.gz OOPVILDEFLJJRH-UHFFFAOYSA-N 0 0 384.487 4.858 50 0 GJAARN O=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000017168896 210206404 /nfs/dbraw/zinc/20/64/04/210206404.db2.gz VGDDJVDBMWKGKD-UHFFFAOYSA-N 0 0 388.858 4.518 50 0 GJAARN COCCCN1C(=S)N=NC1c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000017081122 210205046 /nfs/dbraw/zinc/20/50/46/210205046.db2.gz SBZKPJCVQRTMRB-UHFFFAOYSA-N 0 0 396.541 4.855 50 0 GJAARN Cc1ccc(-n2ncc3c2ncnc3NCCCc2ccccc2)cc1Cl ZINC000017120888 210204737 /nfs/dbraw/zinc/20/47/37/210204737.db2.gz QIBDWTIBXUTERW-UHFFFAOYSA-N 0 0 377.879 4.822 50 0 GJAARN COC(=O)c1ccc(Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 ZINC000017113719 210204816 /nfs/dbraw/zinc/20/48/16/210204816.db2.gz MHTARGKFKDVLAG-UHFFFAOYSA-N 0 0 375.428 4.650 50 0 GJAARN Cn1c(CCc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000017079231 210203290 /nfs/dbraw/zinc/20/32/90/210203290.db2.gz ALQSAULYGHHZLH-UHFFFAOYSA-N 0 0 388.334 4.655 50 0 GJAARN CC[C@H]1c2ccsc2CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000016779190 210197572 /nfs/dbraw/zinc/19/75/72/210197572.db2.gz ZDZWGFWNUUXFQD-MSOLQXFVSA-N 0 0 390.936 4.505 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)COc3cc(C)ccc3C(C)C)o2)cs1 ZINC000016709210 210195105 /nfs/dbraw/zinc/19/51/05/210195105.db2.gz CWZNJIFPQOFSDN-UHFFFAOYSA-N 0 0 384.501 4.839 50 0 GJAARN Cn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000016631570 210193396 /nfs/dbraw/zinc/19/33/96/210193396.db2.gz LPDZYPZOBWKDFQ-UHFFFAOYSA-N 0 0 378.284 4.764 50 0 GJAARN O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(Cl)cc1 ZINC000016525179 210191240 /nfs/dbraw/zinc/19/12/40/210191240.db2.gz BIKIGRVGHASWQK-MFOYZWKCSA-N 0 0 397.839 4.683 50 0 GJAARN c1ccc2c(c1)c1nnnn1nc2Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000016525470 210190637 /nfs/dbraw/zinc/19/06/37/210190637.db2.gz JCTPYCLOZXMROC-UHFFFAOYSA-N 0 0 396.498 4.884 50 0 GJAARN COc1ccc(C(=O)N2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1OC ZINC000016348270 210189613 /nfs/dbraw/zinc/18/96/13/210189613.db2.gz XAROLOJUFLXFSZ-HXUWFJFHSA-N 0 0 390.483 4.500 50 0 GJAARN Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccc(Cl)c2)cc1 ZINC000016311583 210189453 /nfs/dbraw/zinc/18/94/53/210189453.db2.gz QCINLMFWRYCVSH-UHFFFAOYSA-N 0 0 388.862 4.626 50 0 GJAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4)cc3n2)cc1 ZINC000016162118 210185482 /nfs/dbraw/zinc/18/54/82/210185482.db2.gz QQZSYHXWEHMWMO-UHFFFAOYSA-N 0 0 386.455 4.552 50 0 GJAARN CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2ccc3c(ccn3C)c2)cc1 ZINC000426384009 529896601 /nfs/dbraw/zinc/89/66/01/529896601.db2.gz WWRACIGJWGYHLP-QFIPXVFZSA-N 0 0 376.500 4.877 50 0 GJAARN Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)o1 ZINC000015860469 210173788 /nfs/dbraw/zinc/17/37/88/210173788.db2.gz WXVKNZJWWYXSKR-QGZVFWFLSA-N 0 0 386.879 4.863 50 0 GJAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000015832065 210173555 /nfs/dbraw/zinc/17/35/55/210173555.db2.gz NCCXJNXZTWZBJJ-KRWDZBQOSA-N 0 0 378.472 4.618 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 ZINC000015832719 210173179 /nfs/dbraw/zinc/17/31/79/210173179.db2.gz QGDHXWOECNVDJY-MRXNPFEDSA-N 0 0 396.512 4.519 50 0 GJAARN Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000015840207 210172801 /nfs/dbraw/zinc/17/28/01/210172801.db2.gz APPJAOZYHDKAQK-UHFFFAOYSA-N 0 0 383.542 4.961 50 0 GJAARN O=C(CSCc1nc2cccnc2n1C1CCCCC1)N1CCCCCC1 ZINC000015822779 210171193 /nfs/dbraw/zinc/17/11/93/210171193.db2.gz XAXZFQQDNQEUMO-UHFFFAOYSA-N 0 0 386.565 4.572 50 0 GJAARN COc1cc(OC)c(Nc2cc(C)nc3nc(-c4ccccc4)nn32)cc1Cl ZINC000015780409 210170096 /nfs/dbraw/zinc/17/00/96/210170096.db2.gz KINQHGWEXANZDU-UHFFFAOYSA-N 0 0 395.850 4.514 50 0 GJAARN Cc1c(C[NH2+]Cc2cccc(C)c2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776907 210169451 /nfs/dbraw/zinc/16/94/51/210169451.db2.gz HDSGDTRIKISNDO-UHFFFAOYSA-N 0 0 380.463 4.589 50 0 GJAARN CC(=O)N1N=C(c2cc(C3CC3)nc3ccccc32)O[C@]1(C)c1ccc(C)cc1 ZINC000015785666 210168964 /nfs/dbraw/zinc/16/89/64/210168964.db2.gz KFUUBLBPDYNAKP-XMMPIXPASA-N 0 0 385.467 4.834 50 0 GJAARN Cc1c(C[NH2+]Cc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776794 210168685 /nfs/dbraw/zinc/16/86/85/210168685.db2.gz BJZWFICYIZETNG-UHFFFAOYSA-N 0 0 380.463 4.589 50 0 GJAARN O=C(CSc1nc2ccccc2s1)NCCCn1ccc2ccccc21 ZINC000015743475 210167228 /nfs/dbraw/zinc/16/72/28/210167228.db2.gz LBIJGVQITTXKCQ-UHFFFAOYSA-N 0 0 381.526 4.550 50 0 GJAARN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000015727522 210164616 /nfs/dbraw/zinc/16/46/16/210164616.db2.gz XYRMHZKPNOHXAK-UHFFFAOYSA-N 0 0 378.476 4.897 50 0 GJAARN Cc1ccc(-n2ncc(C(=O)N3CCCc4ccccc43)c2-n2cccc2)cc1 ZINC000015681348 210162789 /nfs/dbraw/zinc/16/27/89/210162789.db2.gz VMMVMSPJDDNFBW-UHFFFAOYSA-N 0 0 382.467 4.564 50 0 GJAARN COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3ccc(Cl)cn32)c1 ZINC000015414390 210158029 /nfs/dbraw/zinc/15/80/29/210158029.db2.gz LQZPEEGUGITJMU-UHFFFAOYSA-N 0 0 393.830 4.891 50 0 GJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000015192843 210154880 /nfs/dbraw/zinc/15/48/80/210154880.db2.gz LBSMPEPUOGFNLM-UHFFFAOYSA-N 0 0 386.858 4.745 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H](c1cccnc1)CC(=O)N2 ZINC000015107635 210152912 /nfs/dbraw/zinc/15/29/12/210152912.db2.gz HUJBWQHHNRQTPW-OAHLLOKOSA-N 0 0 397.887 4.831 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1cccnc1)CC(=O)N2 ZINC000015107632 210152437 /nfs/dbraw/zinc/15/24/37/210152437.db2.gz HUJBWQHHNRQTPW-HNNXBMFYSA-N 0 0 397.887 4.831 50 0 GJAARN Cc1cc(CN(C)C(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)on1 ZINC000015078595 210151924 /nfs/dbraw/zinc/15/19/24/210151924.db2.gz OXWVQMSUROTRLW-HXUWFJFHSA-N 0 0 384.863 4.523 50 0 GJAARN COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(C(=O)c1ccco1)C2 ZINC000015003192 210143955 /nfs/dbraw/zinc/14/39/55/210143955.db2.gz MAOCCHCIHLQVKD-UHFFFAOYSA-N 0 0 395.480 4.712 50 0 GJAARN CCOc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(Cl)c1O ZINC000015016194 210143562 /nfs/dbraw/zinc/14/35/62/210143562.db2.gz ZWGWORVROPXLRJ-XGICHPGQSA-N 0 0 394.652 4.700 50 0 GJAARN COc1cc(Cl)cc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1OC ZINC000015016158 210143352 /nfs/dbraw/zinc/14/33/52/210143352.db2.gz LLEIZSWCNWQBQW-MLPAPPSSSA-N 0 0 394.652 4.612 50 0 GJAARN Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)o1 ZINC000014971307 210136779 /nfs/dbraw/zinc/13/67/79/210136779.db2.gz WEHQBSLMJJBQPN-UHFFFAOYSA-N 0 0 392.455 4.647 50 0 GJAARN Cc1nn(C(C)C)c(C)c1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000014957924 210134678 /nfs/dbraw/zinc/13/46/78/210134678.db2.gz WRBVYIKZNGLSIP-UHFFFAOYSA-N 0 0 386.446 4.572 50 0 GJAARN O=C(CSCc1ccccc1)Nc1ccccc1-c1cn2c(n1)SCC2 ZINC000240067887 222720534 /nfs/dbraw/zinc/72/05/34/222720534.db2.gz SDGLOJOJCDFUFU-UHFFFAOYSA-N 0 0 381.526 4.528 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000014854109 210129878 /nfs/dbraw/zinc/12/98/78/210129878.db2.gz MUUNKBAZSUZKGH-LBPRGKRZSA-N 0 0 387.407 4.825 50 0 GJAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CCOc2ccccc21 ZINC000014780391 210129067 /nfs/dbraw/zinc/12/90/67/210129067.db2.gz LYJUZHNNQHHHFP-QGZVFWFLSA-N 0 0 382.847 4.568 50 0 GJAARN C[C@@H](NC(=O)c1ccc(Br)s1)c1ccccc1Br ZINC000014425839 210117091 /nfs/dbraw/zinc/11/70/91/210117091.db2.gz KDDVINYCNJYBEN-MRVPVSSYSA-N 0 0 389.112 4.764 50 0 GJAARN C[C@H](Nc1nc(C(F)(F)F)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000014240933 210111450 /nfs/dbraw/zinc/11/14/50/210111450.db2.gz GLDGZKXPRCMWAF-NSHDSACASA-N 0 0 375.350 4.593 50 0 GJAARN Cc1ccc(-c2nnc(SCc3nc(-c4ccc(C)c(F)c4)no3)n2C)cc1 ZINC000014196458 210108798 /nfs/dbraw/zinc/10/87/98/210108798.db2.gz SWOUBVYUUXZLNF-UHFFFAOYSA-N 0 0 395.463 4.580 50 0 GJAARN COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(Cl)cc3)cs2)cc1 ZINC000014181330 210108065 /nfs/dbraw/zinc/10/80/65/210108065.db2.gz FNSVPTKEOVKFTQ-CYBMUJFWSA-N 0 0 386.904 4.892 50 0 GJAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000014095554 210103769 /nfs/dbraw/zinc/10/37/69/210103769.db2.gz QCWJSZNCKBYOFP-QGZVFWFLSA-N 0 0 381.907 4.854 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000014069967 210101527 /nfs/dbraw/zinc/10/15/27/210101527.db2.gz KBJXZHLJZPTXDM-LBPRGKRZSA-N 0 0 386.398 4.640 50 0 GJAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 ZINC000014070953 210101403 /nfs/dbraw/zinc/10/14/03/210101403.db2.gz HHZBJVJYJBLOCT-QFIPXVFZSA-N 0 0 398.934 4.631 50 0 GJAARN CN(C)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)cc1 ZINC000013956962 210097956 /nfs/dbraw/zinc/09/79/56/210097956.db2.gz WFKIGSZQMRSZRX-UHFFFAOYSA-N 0 0 390.299 4.893 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000014019773 210099467 /nfs/dbraw/zinc/09/94/67/210099467.db2.gz TXSQYTSYKIGYDG-NRFANRHFSA-N 0 0 396.535 4.563 50 0 GJAARN COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)c1 ZINC000013777305 210090428 /nfs/dbraw/zinc/09/04/28/210090428.db2.gz NNMLUWRSIAAVQH-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)c1 ZINC000013778102 210089657 /nfs/dbraw/zinc/08/96/57/210089657.db2.gz OFLROTQDGOIURY-UHFFFAOYSA-N 0 0 390.483 4.512 50 0 GJAARN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1Cl ZINC000013770972 210089436 /nfs/dbraw/zinc/08/94/36/210089436.db2.gz OEIJFUAVVLJDAF-QTGUNEKASA-N 0 0 399.918 4.857 50 0 GJAARN COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1C ZINC000013564572 210068414 /nfs/dbraw/zinc/06/84/14/210068414.db2.gz UWJHAMNWGBTKMU-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN S=C1N=NC(c2ccc(Br)cc2)N1c1cccc2ncccc21 ZINC000013552214 210067158 /nfs/dbraw/zinc/06/71/58/210067158.db2.gz GMENSNOODHYKPL-UHFFFAOYSA-N 0 0 383.274 4.534 50 0 GJAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013331493 210056440 /nfs/dbraw/zinc/05/64/40/210056440.db2.gz IIOSZQJXWMFDAN-UHFFFAOYSA-N 0 0 392.547 4.947 50 0 GJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)cs1 ZINC000013358107 210059860 /nfs/dbraw/zinc/05/98/60/210059860.db2.gz VGVGWLHNELZQLW-UHFFFAOYSA-N 0 0 380.441 4.506 50 0 GJAARN CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCCC[C@@H]3C)s2)cc1 ZINC000013135173 210053313 /nfs/dbraw/zinc/05/33/13/210053313.db2.gz IFLFFNSXVHENLI-AWEZNQCLSA-N 0 0 390.578 4.898 50 0 GJAARN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000013096811 210050686 /nfs/dbraw/zinc/05/06/86/210050686.db2.gz DUPBYVGQDLXOTE-FXUDXRNXSA-N 0 0 385.577 4.683 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Sc1ccc(Cl)cc1 ZINC000013137357 210054227 /nfs/dbraw/zinc/05/42/27/210054227.db2.gz SWOSBQXWLYUCAZ-UHFFFAOYSA-N 0 0 384.844 4.867 50 0 GJAARN C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OC(F)F)cc1 ZINC000013012121 210047651 /nfs/dbraw/zinc/04/76/51/210047651.db2.gz RRPGBAHWJCOFNW-SECBINFHSA-N 0 0 388.183 4.681 50 0 GJAARN CCOc1cc2c(cc1NC(=O)/C=C/c1cc(C)n(C3CC3)c1C)O[C@@H](C)C2 ZINC000013006102 210046312 /nfs/dbraw/zinc/04/63/12/210046312.db2.gz PHNGAGMGRBJCMD-PPYMECGQSA-N 0 0 380.488 4.814 50 0 GJAARN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000013003488 210045168 /nfs/dbraw/zinc/04/51/68/210045168.db2.gz INANALCERMNLHE-NSHDSACASA-N 0 0 377.271 4.833 50 0 GJAARN CC[C@@H](C)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 ZINC000012995808 210044187 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C[C@H](C(=O)NC1CCCCCC1)n1nc(-c2cccs2)c2ccccc2c1=O ZINC000012925356 210030737 /nfs/dbraw/zinc/03/07/37/210030737.db2.gz JZEWYWIIKACNCP-OAHLLOKOSA-N 0 0 395.528 4.525 50 0 GJAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000012920538 210030351 /nfs/dbraw/zinc/03/03/51/210030351.db2.gz ZVHMXOZYTPBEGQ-UHFFFAOYSA-N 0 0 389.480 4.798 50 0 GJAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000012896581 210024618 /nfs/dbraw/zinc/02/46/18/210024618.db2.gz KESFVYMUBIQWRS-QUCCMNQESA-N 0 0 386.499 4.587 50 0 GJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000012907461 210025859 /nfs/dbraw/zinc/02/58/59/210025859.db2.gz YONTWTHEKJSKJM-UHFFFAOYSA-N 0 0 388.876 4.528 50 0 GJAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(-c3ccco3)on2)o1 ZINC000012906009 210025895 /nfs/dbraw/zinc/02/58/95/210025895.db2.gz SXRDRYUJQIGASL-NSHDSACASA-N 0 0 387.392 4.889 50 0 GJAARN Cc1cc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000012875934 210022843 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C[C@@H](NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F)c1ccccc1 ZINC000002485410 209366472 /nfs/dbraw/zinc/36/64/72/209366472.db2.gz SYSNGQRLGPAVBG-CQSZACIVSA-N 0 0 392.409 4.825 50 0 GJAARN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cc(Br)ccc3O)c2C1 ZINC000002465869 209366510 /nfs/dbraw/zinc/36/65/10/209366510.db2.gz OTDALBYFKSTJJA-JTQLQIEISA-N 0 0 393.281 4.546 50 0 GJAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(N4CCC(C)CC4)c23)CO1 ZINC000002426029 209364326 /nfs/dbraw/zinc/36/43/26/209364326.db2.gz IUSOGWAZXDEERA-LJQANCHMSA-N 0 0 377.579 4.891 50 0 GJAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000002768271 209383684 /nfs/dbraw/zinc/38/36/84/209383684.db2.gz WWLCGVLJCKWIDM-HNNXBMFYSA-N 0 0 395.480 4.916 50 0 GJAARN O=C1O[C@@](Nc2cccc(Br)c2)(c2ccccc2)c2ccccc21 ZINC000002771317 209383257 /nfs/dbraw/zinc/38/32/57/209383257.db2.gz BZWMDZUEXRAVSL-FQEVSTJZSA-N 0 0 380.241 4.933 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc2ccccc2c1 ZINC000002763628 209382610 /nfs/dbraw/zinc/38/26/10/209382610.db2.gz 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CCCC(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccc(C)c(C)c1 ZINC000002332321 209357398 /nfs/dbraw/zinc/35/73/98/209357398.db2.gz PQQXQLYZYUHEBU-UHFFFAOYSA-N 0 0 375.472 4.563 50 0 GJAARN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=S)NC1CCCCC1 ZINC000002335885 209356850 /nfs/dbraw/zinc/35/68/50/209356850.db2.gz QPAIQGAZFHQTCA-UHFFFAOYSA-N 0 0 379.913 4.617 50 0 GJAARN Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000002302223 209356551 /nfs/dbraw/zinc/35/65/51/209356551.db2.gz YPSPMGPZNYUFJZ-PKTZIBPZSA-N 0 0 396.425 4.630 50 0 GJAARN COc1cccc(OP(=O)(N=c2cccc[nH]2)Oc2cccc(OC)c2)c1 ZINC000002303174 209356043 /nfs/dbraw/zinc/35/60/43/209356043.db2.gz FSXQWIHNCGZWRF-UHFFFAOYSA-N 0 0 386.344 4.777 50 0 GJAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002312409 209356111 /nfs/dbraw/zinc/35/61/11/209356111.db2.gz GQAMZMBHXNGWHC-UHFFFAOYSA-N 0 0 397.430 4.950 50 0 GJAARN O=C(NCC1(c2ccccc2)CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000002315984 209355837 /nfs/dbraw/zinc/35/58/37/209355837.db2.gz 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CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(OC)ccc4C)c(N)c3cc2C1 ZINC000000661857 209257040 /nfs/dbraw/zinc/25/70/40/209257040.db2.gz VNUCIKODVQQKFT-CYBMUJFWSA-N 0 0 395.528 4.963 50 0 GJAARN COc1ccccc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000000677980 209258247 /nfs/dbraw/zinc/25/82/47/209258247.db2.gz ZYKDMGIXHCJRIV-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCCC2 ZINC000000672722 209257926 /nfs/dbraw/zinc/25/79/26/209257926.db2.gz IMBHSPNBCJMAOM-IRXDYDNUSA-N 0 0 383.513 4.936 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)c1 ZINC000000674119 209257673 /nfs/dbraw/zinc/25/76/73/209257673.db2.gz UAPNKPGJTORZMR-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN Cc1ccc2cc([C@H]3Nc4sc5c(c4C(=O)N3)CCCC5)c(Cl)nc2c1 ZINC000000649992 209255781 /nfs/dbraw/zinc/25/57/81/209255781.db2.gz TUUBVNTVUHTJKS-GOSISDBHSA-N 0 0 383.904 4.991 50 0 GJAARN O=C(CCc1ccccc1)Nc1ccc(Br)cc1Br ZINC000000668778 209256537 /nfs/dbraw/zinc/25/65/37/209256537.db2.gz TWQFTHILXLUTJJ-UHFFFAOYSA-N 0 0 383.083 4.783 50 0 GJAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccccc1F ZINC000000633399 209253031 /nfs/dbraw/zinc/25/30/31/209253031.db2.gz KJXKUSBPQDZDTQ-UHFFFAOYSA-N 0 0 391.518 4.700 50 0 GJAARN O[C@@H](c1nnc(SCc2cccc(F)c2)n1-c1ccccc1)c1ccccc1 ZINC000000643313 209254211 /nfs/dbraw/zinc/25/42/11/209254211.db2.gz YRBBICNLUIYJCA-HXUWFJFHSA-N 0 0 391.471 4.780 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccc(N(C)C)cc2s1 ZINC000000626774 209251530 /nfs/dbraw/zinc/25/15/30/209251530.db2.gz DZQMWUDFMJPRBV-UHFFFAOYSA-N 0 0 385.558 4.964 50 0 GJAARN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3C(C)C)s2)no1 ZINC000009207027 209249964 /nfs/dbraw/zinc/24/99/64/209249964.db2.gz NNBLHYIRHNUAJV-AWEZNQCLSA-N 0 0 385.489 4.542 50 0 GJAARN Cc1cc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)nn1C ZINC000009001754 209247018 /nfs/dbraw/zinc/24/70/18/209247018.db2.gz TVGQTRNBJVZIGC-UHFFFAOYSA-N 0 0 390.468 4.897 50 0 GJAARN Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1OC(F)F ZINC000154974311 209246048 /nfs/dbraw/zinc/24/60/48/209246048.db2.gz KJXWVVRESHZOFS-UHFFFAOYSA-N 0 0 377.778 4.688 50 0 GJAARN Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(F)cc3)cc2O)n1 ZINC000005574855 209231930 /nfs/dbraw/zinc/23/19/30/209231930.db2.gz XSMRNEJDRWCBNE-UHFFFAOYSA-N 0 0 387.414 4.817 50 0 GJAARN CCOC(=O)c1c2cc(OCC(=O)OC(C)C)ccc2oc1-c1ccccc1 ZINC000001155594 209227677 /nfs/dbraw/zinc/22/76/77/209227677.db2.gz WLTQEVTUMKMMJB-UHFFFAOYSA-N 0 0 382.412 4.607 50 0 biogenic GJAARN CSc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 ZINC000263619659 209227573 /nfs/dbraw/zinc/22/75/73/209227573.db2.gz ZVDLUDIIBCPEQJ-LJQANCHMSA-N 0 0 390.468 4.594 50 0 GJAARN O=C(CCCc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000263617490 209225272 /nfs/dbraw/zinc/22/52/72/209225272.db2.gz NZYQTCUKDMFUBE-LJQANCHMSA-N 0 0 379.435 4.562 50 0 GJAARN COCCn1cc(C(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)c2ccccc21 ZINC000253412506 209219479 /nfs/dbraw/zinc/21/94/79/209219479.db2.gz REZBMFHXMQAQGQ-OAQYLSRUSA-N 0 0 387.483 4.576 50 0 biogenic GJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000027350520 209192927 /nfs/dbraw/zinc/19/29/27/209192927.db2.gz UDWLHEXWQQMQSR-VQIMIIECSA-N 0 0 392.421 4.649 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000015746428 209182977 /nfs/dbraw/zinc/18/29/77/209182977.db2.gz XBAQWDFQVMWKEY-IAOVAPTHSA-N 0 0 383.513 4.792 50 0 GJAARN O=CNc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405009 212060997 /nfs/dbraw/zinc/06/09/97/212060997.db2.gz PROJRKQQZJHEQJ-UHFFFAOYSA-N 0 0 382.395 4.509 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(OC(=O)COc3cc(C)ccc3C)cc2)cc1 ZINC000000957963 212060304 /nfs/dbraw/zinc/06/03/04/212060304.db2.gz RRTAVLSOVOBPOX-UHFFFAOYSA-N 0 0 389.451 4.849 50 0 GJAARN Cc1cc(C)nc(-c2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2)c1 ZINC000299797425 212038298 /nfs/dbraw/zinc/03/82/98/212038298.db2.gz NSEWAGYLGRPNLT-KRWDZBQOSA-N 0 0 388.467 4.628 50 0 GJAARN Cc1nc(Cl)ccc1NC(=O)N1CCC[C@H](COc2ccccc2F)C1 ZINC000299781947 212037096 /nfs/dbraw/zinc/03/70/96/212037096.db2.gz RYBDZLFNBTXFKI-AWEZNQCLSA-N 0 0 377.847 4.505 50 0 GJAARN CCn1nc(C)c(-c2cccc(C(=O)N[C@@H](c3ncccc3C)C3CC3)c2)c1C ZINC000299764542 212032450 /nfs/dbraw/zinc/03/24/50/212032450.db2.gz IUZQRSQUYUUZHK-HSZRJFAPSA-N 0 0 388.515 4.771 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1c(Cl)c(Cl)ncc1C(F)(F)F ZINC000263640006 212031629 /nfs/dbraw/zinc/03/16/29/212031629.db2.gz SMLFQVGIFSJSJE-UHFFFAOYSA-N 0 0 383.584 4.991 50 0 GJAARN COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C ZINC000257348584 212029810 /nfs/dbraw/zinc/02/98/10/212029810.db2.gz HDLRFHJYLSKLMU-ZPVOZQTBSA-N 0 0 376.537 4.545 50 0 GJAARN Cc1ccc(C[C@@H](C)CC(=O)Nc2ccccc2I)cc1 ZINC000033663932 203787176 /nfs/dbraw/zinc/78/71/76/203787176.db2.gz LXJIZJDQOMEKOW-CQSZACIVSA-N 0 0 393.268 4.807 50 0 GJAARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1cc(Cl)ccc1OC ZINC000000657125 203845378 /nfs/dbraw/zinc/84/53/78/203845378.db2.gz BBRFABBRQCBOFX-UHFFFAOYSA-N 0 0 389.860 4.992 50 0 GJAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc2c1CCCC2 ZINC000000648097 203845687 /nfs/dbraw/zinc/84/56/87/203845687.db2.gz SIMAQKJXKHCFEA-UHFFFAOYSA-N 0 0 377.893 4.638 50 0 GJAARN Cc1c2ccc(O[C@@H]3CCCCC3=O)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000001190754 203822189 /nfs/dbraw/zinc/82/21/89/203822189.db2.gz ICEISICUERNBOJ-JOCHJYFZSA-N 0 0 376.452 4.891 50 0 biogenic GJAARN Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000001209709 203896631 /nfs/dbraw/zinc/89/66/31/203896631.db2.gz SJGSFYKARRMCQS-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN CCN(CC)C(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000000783359 203852183 /nfs/dbraw/zinc/85/21/83/203852183.db2.gz LZJCVXQOERSFFC-UHFFFAOYSA-N 0 0 391.949 4.972 50 0 GJAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(Cl)c1Cl ZINC000000848489 203858990 /nfs/dbraw/zinc/85/89/90/203858990.db2.gz VWICLYVCHJXHJT-UHFFFAOYSA-N 0 0 386.588 4.809 50 0 GJAARN Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000882170 203861989 /nfs/dbraw/zinc/86/19/89/203861989.db2.gz DZJMIBJUKRPTLQ-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 ZINC000000943616 203866832 /nfs/dbraw/zinc/86/68/32/203866832.db2.gz UYBHLDGVNHSDDC-NSHDSACASA-N 0 0 377.893 4.955 50 0 GJAARN COc1ccc(-c2cc(=O)c3cc(OC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000000955669 203867954 /nfs/dbraw/zinc/86/79/54/203867954.db2.gz BXSGXJGULZNTRA-UHFFFAOYSA-N 0 0 390.366 4.827 50 0 GJAARN COc1ccccc1CCNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1 ZINC000000998973 203871113 /nfs/dbraw/zinc/87/11/13/203871113.db2.gz IDGCELZIMKRGKO-UHFFFAOYSA-N 0 0 393.483 4.963 50 0 GJAARN O=C(CSc1nnc(-c2cccs2)o1)c1ccc(Br)cc1 ZINC000001034734 203875355 /nfs/dbraw/zinc/87/53/55/203875355.db2.gz IZJFDUOQUIZNMK-UHFFFAOYSA-N 0 0 381.276 4.536 50 0 GJAARN COc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1C(C)C ZINC000001061134 203877776 /nfs/dbraw/zinc/87/77/76/203877776.db2.gz KSIIIUZIHIVZCR-UHFFFAOYSA-N 0 0 390.530 4.846 50 0 GJAARN CSc1nsc(SC)c1C(=O)Nc1ccc(Br)cc1 ZINC000001056169 203878144 /nfs/dbraw/zinc/87/81/44/203878144.db2.gz BBSRPRAOCAIKNQ-UHFFFAOYSA-N 0 0 375.338 4.602 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C ZINC000001064587 203879409 /nfs/dbraw/zinc/87/94/09/203879409.db2.gz OVJWLVXHXBHJIQ-LJQANCHMSA-N 0 0 386.495 4.579 50 0 GJAARN O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1ccccc1 ZINC000001081669 203881601 /nfs/dbraw/zinc/88/16/01/203881601.db2.gz KHORCUBSNRJERM-UHFFFAOYSA-N 0 0 382.529 4.895 50 0 GJAARN CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000001089442 203882085 /nfs/dbraw/zinc/88/20/85/203882085.db2.gz QPXNWPCWYBPIJF-KRWDZBQOSA-N 0 0 384.907 4.765 50 0 GJAARN COc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 ZINC000001104382 203883346 /nfs/dbraw/zinc/88/33/46/203883346.db2.gz FUVOJNSPGQIFFS-UHFFFAOYSA-N 0 0 381.482 4.868 50 0 GJAARN O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000001132503 203887880 /nfs/dbraw/zinc/88/78/80/203887880.db2.gz YQSNJIYVZKJZJU-QHCPKHFHSA-N 0 0 388.854 4.604 50 0 GJAARN COc1cc(OC)c(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000001155972 203890349 /nfs/dbraw/zinc/89/03/49/203890349.db2.gz FLDNLGBAPXKDMX-UHFFFAOYSA-N 0 0 377.868 4.672 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1ccc(CC)cc1 ZINC000001773446 203918480 /nfs/dbraw/zinc/91/84/80/203918480.db2.gz KKQPLVVMCXRGST-UHFFFAOYSA-N 0 0 389.517 4.902 50 0 GJAARN COc1cccc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c1 ZINC000001936140 203923849 /nfs/dbraw/zinc/92/38/49/203923849.db2.gz OECHSQNDUCNNKF-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 biogenic GJAARN Cc1nn2c(nc3c(c2-n2cnc4ccccc42)CCCC3)c1-c1ccccc1 ZINC000002230681 203932655 /nfs/dbraw/zinc/93/26/55/203932655.db2.gz ZUAUAUPGHXVWFR-UHFFFAOYSA-N 0 0 379.467 4.922 50 0 GJAARN CC(=O)N(C)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000002309752 203937723 /nfs/dbraw/zinc/93/77/23/203937723.db2.gz QWAPGDMONWDGNI-UHFFFAOYSA-N 0 0 383.835 4.538 50 0 GJAARN CC(C)CCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 ZINC000002389457 203941102 /nfs/dbraw/zinc/94/11/02/203941102.db2.gz ORPCLUWQNHBWMV-UHFFFAOYSA-N 0 0 388.471 4.570 50 0 GJAARN CCS(=O)(=O)c1ccc2oc(SCc3nc4ccccc4s3)nc2c1 ZINC000003276564 203994717 /nfs/dbraw/zinc/99/47/17/203994717.db2.gz YWQNOUMAHZWOBP-UHFFFAOYSA-N 0 0 390.511 4.523 50 0 GJAARN CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000002842991 203966820 /nfs/dbraw/zinc/96/68/20/203966820.db2.gz AAUKGQWLCRGRAW-IRXDYDNUSA-N 0 0 399.292 4.586 50 0 GJAARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002881941 203970993 /nfs/dbraw/zinc/97/09/93/203970993.db2.gz VDAJLLOSBGQCRX-UHFFFAOYSA-N 0 0 386.648 4.876 50 0 GJAARN O=C(NC1CCCCC1)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000002949129 203976956 /nfs/dbraw/zinc/97/69/56/203976956.db2.gz CSMGSFKSIHQLMK-UHFFFAOYSA-N 0 0 398.576 4.960 50 0 GJAARN COc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000002978805 203978524 /nfs/dbraw/zinc/97/85/24/203978524.db2.gz YFVDJKDPFXOAAP-UHFFFAOYSA-N 0 0 388.423 4.829 50 0 GJAARN Cc1cc(OCC(=O)Nc2cccc3c2CCCC3)cc(C)c1Br ZINC000003001922 203979564 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O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000023011794 204795566 /nfs/dbraw/zinc/79/55/66/204795566.db2.gz NTLYORZJBGUVTI-UHFFFAOYSA-N 0 0 397.438 4.769 50 0 GJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1csc(COc2ccc(F)cc2)n1 ZINC000023080960 204796265 /nfs/dbraw/zinc/79/62/65/204796265.db2.gz PYSVKMQRAMZUEZ-UHFFFAOYSA-N 0 0 386.492 4.560 50 0 GJAARN O=C(Nc1nc(-c2ccco2)cs1)c1ccc2c(c1)ncn2-c1ccccc1 ZINC000038488569 204836264 /nfs/dbraw/zinc/83/62/64/204836264.db2.gz FNNMQAGVDKQCEZ-UHFFFAOYSA-N 0 0 386.436 4.994 50 0 GJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccsc3)s2)cc1 ZINC000024754292 204824213 /nfs/dbraw/zinc/82/42/13/204824213.db2.gz YPDDFNJNWRJDHQ-ZSOIEALJSA-N 0 0 375.906 4.575 50 0 GJAARN Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@H]3c3ccncc3)o2)cc1C ZINC000027280351 204854133 /nfs/dbraw/zinc/85/41/33/204854133.db2.gz NTEZBJZGPKXDMF-FQEVSTJZSA-N 0 0 375.472 4.650 50 0 GJAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1CCc1ccccc1 ZINC000029766335 204893449 /nfs/dbraw/zinc/89/34/49/204893449.db2.gz 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ZINC000036315478 205010561 /nfs/dbraw/zinc/01/05/61/205010561.db2.gz LLDUXATWPANJJE-KRWDZBQOSA-N 0 0 399.359 4.805 50 0 GJAARN O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000036343710 205011308 /nfs/dbraw/zinc/01/13/08/205011308.db2.gz PYVXFPRHCNHSPN-OAQYLSRUSA-N 0 0 381.907 4.504 50 0 GJAARN Cc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344621 205011457 /nfs/dbraw/zinc/01/14/57/205011457.db2.gz OMNPQKCFXINMLC-XMMPIXPASA-N 0 0 389.543 4.775 50 0 GJAARN COc1cc(CN2CCCn3cccc3[C@H]2c2cccc(F)c2)cc(OC)c1 ZINC000036348224 205012209 /nfs/dbraw/zinc/01/22/09/205012209.db2.gz HZQCFHANUSCSRI-HSZRJFAPSA-N 0 0 380.463 4.640 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)c(OCc2ccccc2)co1 ZINC000036360502 205014792 /nfs/dbraw/zinc/01/47/92/205014792.db2.gz UCOQUWORNZBOMJ-UHFFFAOYSA-N 0 0 390.222 4.778 50 0 GJAARN Cc1ccc(C)c(Oc2ccc(CNC(=O)CCC(=O)c3cccs3)cn2)c1 ZINC000036390625 205016238 /nfs/dbraw/zinc/01/62/38/205016238.db2.gz UNMMFXDDWUJLCO-UHFFFAOYSA-N 0 0 394.496 4.832 50 0 GJAARN Cc1c(-c2cnn(C)c2C)nn(-c2ccc(C)c(Cl)c2)c1-c1cnn(C)c1C ZINC000036611553 205017731 /nfs/dbraw/zinc/01/77/31/205017731.db2.gz PYASAARHSLOQCA-UHFFFAOYSA-N 0 0 394.910 4.560 50 0 GJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(-c2ccco2)nc2onc(C)c21 ZINC000036742229 205022446 /nfs/dbraw/zinc/02/24/46/205022446.db2.gz ZXEHKSQJANKEGP-CQSZACIVSA-N 0 0 391.427 4.633 50 0 GJAARN O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](O)c1cccc2ccccc21 ZINC000070636063 205023560 /nfs/dbraw/zinc/02/35/60/205023560.db2.gz SSFSDSLCYJOKFZ-RUZDIDTESA-N 0 0 381.475 4.899 50 0 GJAARN Cc1cc2nc(Cc3ccc(F)cc3)n(CCC(=O)NCC(C)C)c2cc1C ZINC000037397006 205025380 /nfs/dbraw/zinc/02/53/80/205025380.db2.gz PMFHBVUIVWJSKA-UHFFFAOYSA-N 0 0 381.495 4.545 50 0 GJAARN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000037385717 205026194 /nfs/dbraw/zinc/02/61/94/205026194.db2.gz QLLDPZGBLSAKNA-UHFFFAOYSA-N 0 0 381.078 4.557 50 0 GJAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(C)cc1 ZINC000037542601 205028185 /nfs/dbraw/zinc/02/81/85/205028185.db2.gz GBLOIULJUPCSOY-UHFFFAOYSA-N 0 0 391.334 4.962 50 0 GJAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCC1CC1 ZINC000037547188 205028456 /nfs/dbraw/zinc/02/84/56/205028456.db2.gz XLVTVJRWYWWDMT-UHFFFAOYSA-N 0 0 393.462 4.571 50 0 GJAARN CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037543299 205028833 /nfs/dbraw/zinc/02/88/33/205028833.db2.gz HOQAYBOOGFJFEG-UHFFFAOYSA-N 0 0 399.260 4.542 50 0 GJAARN C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O)c1ccccc1 ZINC000037574577 205029184 /nfs/dbraw/zinc/02/91/84/205029184.db2.gz CDYMAIFDMGLDEF-CVDCTZTESA-N 0 0 398.506 4.508 50 0 GJAARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2)CC(=O)N1Cc1ccc(F)cc1 ZINC000037575660 205029191 /nfs/dbraw/zinc/02/91/91/205029191.db2.gz YQHSYHJYAYFLFD-FQEVSTJZSA-N 0 0 395.474 4.959 50 0 GJAARN Cc1cccc(NC(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000077200383 205034416 /nfs/dbraw/zinc/03/44/16/205034416.db2.gz NNHBDYKSVSWGKZ-MOPGFXCFSA-N 0 0 385.439 4.816 50 0 GJAARN CN(CC(=O)Nc1cccc(OC(F)F)c1)c1nc2c(cccc2Cl)s1 ZINC000077196778 205034848 /nfs/dbraw/zinc/03/48/48/205034848.db2.gz XEAYIJLJVLBXMA-UHFFFAOYSA-N 0 0 397.834 4.626 50 0 GJAARN O=C(CNc1ccc(OC(F)F)c(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC000039606334 205044915 /nfs/dbraw/zinc/04/49/15/205044915.db2.gz NRQNRMKCXMHVDU-MRXNPFEDSA-N 0 0 380.822 4.547 50 0 GJAARN C[C@H]1C[C@H](OC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C(=O)O1 ZINC000040012292 205046255 /nfs/dbraw/zinc/04/62/55/205046255.db2.gz BJHLYRQLSPNXTM-ZBEGNZNMSA-N 0 0 393.411 4.606 50 0 GJAARN C[C@@H](OCCCNC(=O)N(C)Cc1nc2ccccc2s1)c1ccccc1 ZINC000040069022 205049019 /nfs/dbraw/zinc/04/90/19/205049019.db2.gz OTYPJNJHCDZPRK-MRXNPFEDSA-N 0 0 383.517 4.606 50 0 GJAARN CCc1cccc2c(C3=CCN(C(=O)c4cc(=O)c5ccccc5o4)CC3)c[nH]c21 ZINC000040057920 205049207 /nfs/dbraw/zinc/04/92/07/205049207.db2.gz KKYMLEQCDHXCST-UHFFFAOYSA-N 0 0 398.462 4.766 50 0 GJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040082802 205049469 /nfs/dbraw/zinc/04/94/69/205049469.db2.gz UNIXFKKNHNXBLY-UHFFFAOYSA-N 0 0 377.341 4.507 50 0 GJAARN O=C(CCc1ccccc1Cl)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000040090713 205051476 /nfs/dbraw/zinc/05/14/76/205051476.db2.gz KJDJVIRRJNLZMC-UHFFFAOYSA-N 0 0 377.271 4.692 50 0 GJAARN COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000040121094 205054956 /nfs/dbraw/zinc/05/49/56/205054956.db2.gz OXJBFEJZYAEPDL-AWEZNQCLSA-N 0 0 389.517 4.613 50 0 GJAARN CC[C@@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000043976742 205084801 /nfs/dbraw/zinc/08/48/01/205084801.db2.gz IMSNHFOVIMJNCL-INIZCTEOSA-N 0 0 377.444 4.847 50 0 GJAARN Cc1ccc([C@H](CCO)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000044198359 205085048 /nfs/dbraw/zinc/08/50/48/205085048.db2.gz QUWNZQNWJZNAPQ-DEOSSOPVSA-N 0 0 387.479 4.957 50 0 GJAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(Oc2ncccn2)c1 ZINC000044243916 205085167 /nfs/dbraw/zinc/08/51/67/205085167.db2.gz IGLGEWPXDDMGET-KRWDZBQOSA-N 0 0 380.473 4.872 50 0 GJAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2sccc2C1 ZINC000045731863 205097143 /nfs/dbraw/zinc/09/71/43/205097143.db2.gz SXFBDXCXKIGPDO-UHFFFAOYSA-N 0 0 379.325 4.984 50 0 GJAARN CCOc1cc(Cl)c(S(=O)(=O)N(CC)C2CCCCC2)cc1Cl ZINC000041095054 205076264 /nfs/dbraw/zinc/07/62/64/205076264.db2.gz QWOLHTFHRIILSP-UHFFFAOYSA-N 0 0 380.337 4.735 50 0 GJAARN CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1C ZINC000041077054 205077148 /nfs/dbraw/zinc/07/71/48/205077148.db2.gz FXKULPRBTSOEHI-UHFFFAOYSA-N 0 0 383.879 4.934 50 0 GJAARN O=C(NCC1(c2ccc(F)cc2)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000048300423 205117941 /nfs/dbraw/zinc/11/79/41/205117941.db2.gz GQYXWTAVBMKBRA-UHFFFAOYSA-N 0 0 397.453 4.898 50 0 GJAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000048340708 205119861 /nfs/dbraw/zinc/11/98/61/205119861.db2.gz REYUXYHHGOSWFV-GOSISDBHSA-N 0 0 378.447 4.525 50 0 GJAARN CCCOc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c(C)c1 ZINC000048362707 205121449 /nfs/dbraw/zinc/12/14/49/205121449.db2.gz XHPWNQABTDRDCR-HXUWFJFHSA-N 0 0 388.895 4.643 50 0 GJAARN Cc1ccnn1-c1cccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000048355368 205122233 /nfs/dbraw/zinc/12/22/33/205122233.db2.gz TWUBUADRBSNYTA-UHFFFAOYSA-N 0 0 386.455 4.715 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2cc(F)cc(F)c2)n1 ZINC000049004784 205124252 /nfs/dbraw/zinc/12/42/52/205124252.db2.gz MMXJWPPBRXYJHA-UHFFFAOYSA-N 0 0 396.441 4.976 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(F)cc2)n1 ZINC000049004685 205124510 /nfs/dbraw/zinc/12/45/10/205124510.db2.gz GKNNUFVSPINFPF-UHFFFAOYSA-N 0 0 378.451 4.837 50 0 GJAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)NC3CCCCC3)n2)cc1 ZINC000049734282 205129598 /nfs/dbraw/zinc/12/95/98/205129598.db2.gz DQVHLKMMPREVLE-UHFFFAOYSA-N 0 0 391.471 4.540 50 0 GJAARN Cc1ccc(-n2nc(C(=O)Nc3ccc(N(C)C)cc3)nc2-c2ccccc2)cc1 ZINC000046012579 205101340 /nfs/dbraw/zinc/10/13/40/205101340.db2.gz RVORQQBAYGDIBK-UHFFFAOYSA-N 0 0 397.482 4.561 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1CC(=O)Nc2c1cnn2C(C)(C)C ZINC000049545458 205129035 /nfs/dbraw/zinc/12/90/35/205129035.db2.gz SQYHSXDARMADCA-QGZVFWFLSA-N 0 0 377.492 4.623 50 0 GJAARN CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)c(C)s3)n2)cc1 ZINC000052773683 205133247 /nfs/dbraw/zinc/13/32/47/205133247.db2.gz QESOAFYHBRGPOC-GFCCVEGCSA-N 0 0 399.541 4.938 50 0 GJAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364542 205133550 /nfs/dbraw/zinc/13/35/50/205133550.db2.gz ZVYJKFVVOUADHC-QGZVFWFLSA-N 0 0 398.384 4.864 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Cl)c1 ZINC000051364567 205134136 /nfs/dbraw/zinc/13/41/36/205134136.db2.gz WWKLELSBIOBNPV-MRXNPFEDSA-N 0 0 378.859 4.807 50 0 GJAARN FC(F)(F)c1ccc2nnc(CNCc3ccc(-c4ccccc4)cc3)n2c1 ZINC000053150020 205135738 /nfs/dbraw/zinc/13/57/38/205135738.db2.gz HSCCFCREYWQHDY-UHFFFAOYSA-N 0 0 382.389 4.705 50 0 GJAARN O=c1nc(Cc2ccc(C(F)(F)F)cn2)[nH]c2scc(-c3cccs3)c21 ZINC000054751788 205139605 /nfs/dbraw/zinc/13/96/05/205139605.db2.gz HJTIXQMLMQWVMT-UHFFFAOYSA-N 0 0 393.415 4.718 50 0 GJAARN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000055183087 205144897 /nfs/dbraw/zinc/14/48/97/205144897.db2.gz OLGYMRUNUSMBEB-MRXNPFEDSA-N 0 0 399.947 4.991 50 0 GJAARN C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCC1 ZINC000056176591 205152199 /nfs/dbraw/zinc/15/21/99/205152199.db2.gz PQKMINNRMJLWFT-GFCCVEGCSA-N 0 0 380.275 4.604 50 0 GJAARN CCc1noc(CCCC(=O)Nc2cc3oc4ccccc4c3cc2OC)n1 ZINC000056246484 205152352 /nfs/dbraw/zinc/15/23/52/205152352.db2.gz OHVPDFRZUVCTBR-UHFFFAOYSA-N 0 0 379.416 4.501 50 0 GJAARN CCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2ccccc21 ZINC000057354765 205156601 /nfs/dbraw/zinc/15/66/01/205156601.db2.gz FRJUPEHPHSPTGX-UHFFFAOYSA-N 0 0 396.244 4.501 50 0 GJAARN C[C@H](N[C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000057452025 205157563 /nfs/dbraw/zinc/15/75/63/205157563.db2.gz GZIVWNPYFBUNDP-BUXKBTBVSA-N 0 0 390.430 4.872 50 0 GJAARN CCn1cc(-c2cc(C(=O)N3[C@H](C)CCC[C@@H]3C)c3cc(C)ccc3n2)cn1 ZINC000063844998 205186608 /nfs/dbraw/zinc/18/66/08/205186608.db2.gz ZEDQTQRPKAWTJA-CALCHBBNSA-N 0 0 376.504 4.830 50 0 GJAARN CCCCn1cc(-c2cc(C(=O)N3CCC[C@H]3C)c3cccc(C)c3n2)cn1 ZINC000063872173 205186620 /nfs/dbraw/zinc/18/66/20/205186620.db2.gz BUMROEJZLHESGG-QGZVFWFLSA-N 0 0 376.504 4.831 50 0 GJAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCC(F)(F)CC1 ZINC000063856788 205186847 /nfs/dbraw/zinc/18/68/47/205186847.db2.gz XZBHPBKZJXSLCS-UHFFFAOYSA-N 0 0 398.457 4.859 50 0 GJAARN CCCN(C)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12 ZINC000063855639 205187171 /nfs/dbraw/zinc/18/71/71/205187171.db2.gz LWXVEYXWCWDFBN-UHFFFAOYSA-N 0 0 376.504 4.914 50 0 GJAARN Cc1ccc2nc(-c3cnc(C4CC4)nc3)cc(C(=O)N3CCCCCC3)c2c1 ZINC000063847145 205187527 /nfs/dbraw/zinc/18/75/27/205187527.db2.gz ODKZLOTYEZAJGW-UHFFFAOYSA-N 0 0 386.499 4.894 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)CN1CCC(c2nc3ccccc3o2)CC1 ZINC000057872563 205160755 /nfs/dbraw/zinc/16/07/55/205160755.db2.gz NQIZCALCSRWMLV-UHFFFAOYSA-N 0 0 383.879 4.608 50 0 GJAARN CCOc1ccc(NC(=S)N2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000058096087 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/nfs/dbraw/zinc/60/48/89/211604889.db2.gz BTCJSYWDYDFSDJ-UHFFFAOYSA-N 0 0 399.082 4.863 50 0 GJAARN C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000155571823 211603913 /nfs/dbraw/zinc/60/39/13/211603913.db2.gz ZMNRHCKEECTOQF-CYBMUJFWSA-N 0 0 399.903 4.820 50 0 GJAARN CCCN1c2ccc(NC(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000008958928 211602032 /nfs/dbraw/zinc/60/20/32/211602032.db2.gz LATPAGVCEGRAMG-UHFFFAOYSA-N 0 0 386.879 4.754 50 0 GJAARN CCCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1 ZINC000008645557 211597699 /nfs/dbraw/zinc/59/76/99/211597699.db2.gz LTCDRYUIZSUMNP-UHFFFAOYSA-N 0 0 391.537 4.978 50 0 GJAARN Cc1ccccc1OCCSc1nc2sccc2c(=O)n1-c1ccccc1 ZINC000008229832 211592546 /nfs/dbraw/zinc/59/25/46/211592546.db2.gz NUVWSUNSKFMTKE-UHFFFAOYSA-N 0 0 394.521 4.927 50 0 GJAARN Cc1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000007696840 211591562 /nfs/dbraw/zinc/59/15/62/211591562.db2.gz UIYAJYJSKYVXLZ-UHFFFAOYSA-N 0 0 390.270 4.564 50 0 GJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCC4)n2)cc1 ZINC000006647587 211577893 /nfs/dbraw/zinc/57/78/93/211577893.db2.gz NMAHOEHPDVEOEQ-UHFFFAOYSA-N 0 0 377.469 4.510 50 0 GJAARN CCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)=O)C2 ZINC000004275250 211540800 /nfs/dbraw/zinc/54/08/00/211540800.db2.gz KSKYQMSHODHECQ-UHFFFAOYSA-N 0 0 399.541 4.668 50 0 GJAARN COc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)s2)cc1 ZINC000004174554 211535323 /nfs/dbraw/zinc/53/53/23/211535323.db2.gz DVMZFBFCWGEDIA-CYBMUJFWSA-N 0 0 385.514 4.641 50 0 GJAARN Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C ZINC000003238926 211519365 /nfs/dbraw/zinc/51/93/65/211519365.db2.gz LJBJQGRREHRIJV-CYBMUJFWSA-N 0 0 396.270 4.559 50 0 GJAARN Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000002917521 211517721 /nfs/dbraw/zinc/51/77/21/211517721.db2.gz VMFBZULTIQSPCZ-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000002685558 211517238 /nfs/dbraw/zinc/51/72/38/211517238.db2.gz ZXXPGHAKVKCFEV-CXUHLZMHSA-N 0 0 375.833 4.685 50 0 GJAARN CC(C)OC(=O)C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1Cl ZINC000048253927 211452977 /nfs/dbraw/zinc/45/29/77/211452977.db2.gz HSTOPMCAZPSWIS-MRXNPFEDSA-N 0 0 398.261 4.945 50 0 GJAARN Cc1nc(COc2cccc(/C=C\C(=O)Nc3ccc(F)cc3F)c2)cs1 ZINC000098002519 211376463 /nfs/dbraw/zinc/37/64/63/211376463.db2.gz ODZNPFMRZHOPOL-YVMONPNESA-N 0 0 386.423 4.961 50 0 GJAARN COc1cc(OC)c(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)c(OC)c1 ZINC000101014858 211394485 /nfs/dbraw/zinc/39/44/85/211394485.db2.gz AGHCPQBDKIYNCR-IBGZPJMESA-N 0 0 389.451 4.717 50 0 GJAARN C/C=C\c1cc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc(OC)c1OC ZINC000096926067 211352014 /nfs/dbraw/zinc/35/20/14/211352014.db2.gz VVVUNDGQKBPTAH-QPBFKRLHSA-N 0 0 397.471 4.711 50 0 GJAARN Cc1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000096926779 211352021 /nfs/dbraw/zinc/35/20/21/211352021.db2.gz UCZMDDXFZWJGOX-JYBLJSLWSA-N 0 0 382.891 4.539 50 0 GJAARN COc1ccc(NC(=O)/C=C\c2cc(C)n(-c3ccnn3C(C)C)c2C)cc1 ZINC000096865488 211349003 /nfs/dbraw/zinc/34/90/03/211349003.db2.gz QADAJNUSLXOEQK-WDZFZDKYSA-N 0 0 378.476 4.532 50 0 GJAARN COc1cccc(/C=C\C(=O)Oc2ccc(C3SCCS3)cc2OC)c1 ZINC000096872953 211348843 /nfs/dbraw/zinc/34/88/43/211348843.db2.gz KDPNGBMASJGYAC-TWGQIWQCSA-N 0 0 388.510 4.801 50 0 GJAARN Cc1nc(NC(=O)/C=C\c2c(C)nn(Cc3ccc(C)cc3)c2C)sc1C ZINC000096578917 211345618 /nfs/dbraw/zinc/34/56/18/211345618.db2.gz JVFFQVBMPLWRDR-KHPPLWFESA-N 0 0 380.517 4.582 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccccc2Br)cc1 ZINC000096585500 211345305 /nfs/dbraw/zinc/34/53/05/211345305.db2.gz XALMUXQLCQIAGN-XGCMIMOYSA-N 0 0 386.289 4.835 50 0 GJAARN CC(C)CSc1nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1 ZINC000096399621 211342136 /nfs/dbraw/zinc/34/21/36/211342136.db2.gz UNHKFWCVNRPUBH-UHFFFAOYSA-N 0 0 392.571 4.986 50 0 GJAARN CCn1c(-c2cc(NC(=O)Cc3ccc(C)cc3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398585 211342154 /nfs/dbraw/zinc/34/21/54/211342154.db2.gz XELTVBJAFJJDLS-UHFFFAOYSA-N 0 0 388.471 4.550 50 0 GJAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)COc2ccc(F)cc2)n[nH]1 ZINC000096400284 211342026 /nfs/dbraw/zinc/34/20/26/211342026.db2.gz XLAOOFUQUYNCET-UHFFFAOYSA-N 0 0 392.434 4.516 50 0 GJAARN COc1ccccc1CNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323670 211334694 /nfs/dbraw/zinc/33/46/94/211334694.db2.gz ZDPORBYVRYUXOX-UHFFFAOYSA-N 0 0 391.402 4.649 50 0 GJAARN CC[C@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(OC)cc2)no1 ZINC000096293283 211330844 /nfs/dbraw/zinc/33/08/44/211330844.db2.gz UZMLXKPEHXWVKV-KKSFZXQISA-N 0 0 393.487 4.581 50 0 GJAARN O=C(C[C@H](CCc1ccccc1)c1c[nH]c2ccc(Cl)cc21)N1CCOCC1 ZINC000096278884 211329642 /nfs/dbraw/zinc/32/96/42/211329642.db2.gz MUHMAGWBQCCDIG-SFHVURJKSA-N 0 0 396.918 4.787 50 0 GJAARN Cn1cc([C@@H](CC(N)=O)c2cccc(OCc3ccccc3)c2)c2ccccc21 ZINC000096275786 211328420 /nfs/dbraw/zinc/32/84/20/211328420.db2.gz ACWYQSGATLCCFI-QFIPXVFZSA-N 0 0 384.479 4.765 50 0 GJAARN C[C@@H](NC(=O)/C=C\c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000096129924 211305051 /nfs/dbraw/zinc/30/50/51/211305051.db2.gz GWVPTHDAQLEMFV-WASHYIJTSA-N 0 0 385.389 4.782 50 0 GJAARN O=C(C=Cc1ccc(F)c(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000096129753 211303997 /nfs/dbraw/zinc/30/39/97/211303997.db2.gz UMPNLIYYGHDLRW-XQRVVYSFSA-N 0 0 381.838 4.685 50 0 GJAARN FC(F)(F)c1ccnn1[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000095995423 211293394 /nfs/dbraw/zinc/29/33/94/211293394.db2.gz SIHYUGVMFFXCFN-OAHLLOKOSA-N 0 0 392.450 4.863 50 0 GJAARN O=C(CSc1ccccc1C(=O)Nc1ccccn1)NC1CCCCCCC1 ZINC000095947445 211286547 /nfs/dbraw/zinc/28/65/47/211286547.db2.gz APDJBIDXNWGDHX-UHFFFAOYSA-N 0 0 397.544 4.655 50 0 GJAARN CN(Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951876 211285576 /nfs/dbraw/zinc/28/55/76/211285576.db2.gz XCECVQGRQPERES-VQTJNVASSA-N 0 0 389.282 4.739 50 0 GJAARN C[C@H](C1CC1)n1nccc1NC(=O)N(Cc1ccsc1)Cc1cccnc1 ZINC000095520052 211267464 /nfs/dbraw/zinc/26/74/64/211267464.db2.gz WPGLTRSUAGIGRD-OAHLLOKOSA-N 0 0 381.505 4.545 50 0 GJAARN O=C(CNc1ccccc1Cl)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000095389759 211236756 /nfs/dbraw/zinc/23/67/56/211236756.db2.gz AUAZGYJJBPNWFR-UHFFFAOYSA-N 0 0 383.854 4.688 50 0 GJAARN O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000095478203 211248251 /nfs/dbraw/zinc/24/82/51/211248251.db2.gz UOLZRPZIBPEWDO-MRXNPFEDSA-N 0 0 377.897 4.759 50 0 GJAARN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cncc(Br)c1Cl ZINC000095452778 211242823 /nfs/dbraw/zinc/24/28/23/211242823.db2.gz ROAQSZMYGYTTCL-AAEUAGOBSA-N 0 0 394.700 4.907 50 0 GJAARN O=C(Nc1nc(-c2c(F)cccc2F)cs1)C1=NO[C@@H](c2ccccc2)C1 ZINC000095360991 211224478 /nfs/dbraw/zinc/22/44/78/211224478.db2.gz VHNICMNHMYXBIC-MRXNPFEDSA-N 0 0 385.395 4.544 50 0 GJAARN COc1ccc2[nH]cc(C3=CCN(Cc4nc(-c5ccsc5)no4)CC3)c2c1 ZINC000095351780 211221169 /nfs/dbraw/zinc/22/11/69/211221169.db2.gz NBAYQMFXVVLDHN-UHFFFAOYSA-N 0 0 392.484 4.577 50 0 GJAARN COc1cccc([C@@H]2CCN(C(=O)c3oc4cc(C)ccc4c3C)C2)c1OC ZINC000091746909 211206475 /nfs/dbraw/zinc/20/64/75/211206475.db2.gz BJZOMQUETLFEKB-MRXNPFEDSA-N 0 0 379.456 4.697 50 0 GJAARN CC1(C)CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@]1(C)O ZINC000091770418 211205186 /nfs/dbraw/zinc/20/51/86/211205186.db2.gz FOKZZPCMPDBMIU-JOCHJYFZSA-N 0 0 382.891 4.721 50 0 GJAARN COc1ccc2c(C)c(C(=O)N3CCC[C@@H](OCc4ccccc4)C3)oc2c1 ZINC000091350678 211190230 /nfs/dbraw/zinc/19/02/30/211190230.db2.gz IDWARSFCRCPOAV-LJQANCHMSA-N 0 0 379.456 4.571 50 0 GJAARN CC[C@H](c1ccncc1)N(C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000089947965 211188752 /nfs/dbraw/zinc/18/87/52/211188752.db2.gz ATWXFXVXWCVFSE-GFCCVEGCSA-N 0 0 393.310 4.539 50 0 GJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000089895730 211186494 /nfs/dbraw/zinc/18/64/94/211186494.db2.gz MGAFKUCLUZBYHR-OAHLLOKOSA-N 0 0 398.557 4.511 50 0 GJAARN O=C(c1ccc(S[C@@H]2CCOC2=O)cc1)N1CCCC2(C1)CCCCCC2 ZINC000089781036 211183991 /nfs/dbraw/zinc/18/39/91/211183991.db2.gz CKJJDJXLPWWHQN-LJQANCHMSA-N 0 0 387.545 4.671 50 0 GJAARN Cc1cccc2nc(C(=O)N(Cc3cccs3)c3ccc(F)cc3F)cn21 ZINC000089689070 211182872 /nfs/dbraw/zinc/18/28/72/211182872.db2.gz HVNKHFRRUZIKQR-UHFFFAOYSA-N 0 0 383.423 4.829 50 0 GJAARN COc1ccccc1CN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000089363631 211179896 /nfs/dbraw/zinc/17/98/96/211179896.db2.gz HIDYCCITRKRXSM-UHFFFAOYSA-N 0 0 383.451 4.578 50 0 GJAARN Fc1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1F ZINC000128737336 211177421 /nfs/dbraw/zinc/17/74/21/211177421.db2.gz ABANXBDEOKZGIT-CYBMUJFWSA-N 0 0 393.484 4.756 50 0 GJAARN Nc1c(C(=O)c2cccs2)sc2c1[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000085397627 211176097 /nfs/dbraw/zinc/17/60/97/211176097.db2.gz DTLBMMFEYYRNJC-JTQLQIEISA-N 0 0 388.901 4.750 50 0 GJAARN O=c1nc(CN2CC=C(c3ccccc3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000084564652 211170148 /nfs/dbraw/zinc/17/01/48/211170148.db2.gz FWPVTANMKLIMDJ-UHFFFAOYSA-N 0 0 399.519 4.941 50 0 GJAARN CSc1sc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)nc1C ZINC000089520852 211181857 /nfs/dbraw/zinc/18/18/57/211181857.db2.gz SMYZRKXHXJUSPU-UHFFFAOYSA-N 0 0 392.937 4.632 50 0 GJAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2[C@H](C)N2CCOCC2)c1C ZINC000082086968 211159612 /nfs/dbraw/zinc/15/96/12/211159612.db2.gz ROTPGRGKYYUNCQ-FQEVSTJZSA-N 0 0 377.532 4.711 50 0 GJAARN COc1cc2c(cc1NC(=O)N1CCOC[C@@H]1CC(C)C)oc1ccccc12 ZINC000079305972 211156394 /nfs/dbraw/zinc/15/63/94/211156394.db2.gz XYZBHGGPHDFYHH-HNNXBMFYSA-N 0 0 382.460 4.873 50 0 GJAARN COc1cc(CNC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1F ZINC000072427748 211118175 /nfs/dbraw/zinc/11/81/75/211118175.db2.gz GWBVQWNOPOSRNG-UHFFFAOYSA-N 0 0 399.849 4.997 50 0 GJAARN Cc1cc2oc(C(=O)Nc3ccccc3Br)cc(=O)c2cc1Cl ZINC000072427513 211117130 /nfs/dbraw/zinc/11/71/30/211117130.db2.gz CTIFVEBQDPOZGP-UHFFFAOYSA-N 0 0 392.636 4.770 50 0 GJAARN O=C1C[C@H](c2ccccc2Br)c2cnn(Cc3cccs3)c2N1 ZINC000072406395 211113622 /nfs/dbraw/zinc/11/36/22/211113622.db2.gz MRHDRFCVWHGGDR-CYBMUJFWSA-N 0 0 388.290 4.879 50 0 GJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc(C)cs2)C12CCCC2 ZINC000072401477 211112288 /nfs/dbraw/zinc/11/22/88/211112288.db2.gz IYVKKNJQTOHCNV-SFHVURJKSA-N 0 0 397.544 4.743 50 0 GJAARN CCOc1ccc(-c2nc(CC(=O)N[C@](C)(C3CC3)C(F)(F)F)cs2)cc1 ZINC000072307906 211087262 /nfs/dbraw/zinc/08/72/62/211087262.db2.gz IQBQKUJPZCNWEY-GOSISDBHSA-N 0 0 398.450 4.599 50 0 GJAARN CCOCCO[C@H](C)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000072280649 211085938 /nfs/dbraw/zinc/08/59/38/211085938.db2.gz QGLGJXBAORWQEC-CQSZACIVSA-N 0 0 379.909 4.871 50 0 GJAARN O=C(CCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000072271170 211083595 /nfs/dbraw/zinc/08/35/95/211083595.db2.gz JHJIQXHRYMZSBL-RUZDIDTESA-N 0 0 399.490 4.917 50 0 GJAARN Cc1oc(-c2cccs2)nc1-c1nccn1Cc1cc(-c2cccnc2)no1 ZINC000072172941 211081802 /nfs/dbraw/zinc/08/18/02/211081802.db2.gz MCDCPANSNDJGAZ-UHFFFAOYSA-N 0 0 389.440 4.673 50 0 GJAARN Cc1ccc(C2(c3noc(COc4ccc5cnoc5c4)n3)CCCC2)cc1 ZINC000072163853 211080611 /nfs/dbraw/zinc/08/06/11/211080611.db2.gz MMTXWKOLKVHFGI-UHFFFAOYSA-N 0 0 375.428 4.958 50 0 GJAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC000071844281 211064846 /nfs/dbraw/zinc/06/48/46/211064846.db2.gz AWJLHNKMHBFDCF-LEWJYISDSA-N 0 0 389.499 4.854 50 0 GJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC000071844282 211064977 /nfs/dbraw/zinc/06/49/77/211064977.db2.gz AWJLHNKMHBFDCF-NHCUHLMSSA-N 0 0 389.499 4.854 50 0 GJAARN O=C(c1cncc(F)c1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071748913 211053482 /nfs/dbraw/zinc/05/34/82/211053482.db2.gz MOMPKACIFFCFMN-CQSZACIVSA-N 0 0 380.385 4.725 50 0 GJAARN O=C(c1ccc(-c2cccc(O)c2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000071748484 211053191 /nfs/dbraw/zinc/05/31/91/211053191.db2.gz BXCITALWDMRBGN-UHFFFAOYSA-N 0 0 386.495 4.939 50 0 GJAARN CSc1ccc(CNC(=O)c2sc(NCCc3ccccc3)nc2C)cc1 ZINC000071326484 211045789 /nfs/dbraw/zinc/04/57/89/211045789.db2.gz ZQZYWWKBEVGAOP-UHFFFAOYSA-N 0 0 397.569 4.758 50 0 GJAARN O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612206 211038349 /nfs/dbraw/zinc/03/83/49/211038349.db2.gz 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211007432 /nfs/dbraw/zinc/00/74/32/211007432.db2.gz MSOZBPKKTMIMFL-BZZOAKBMSA-N 0 0 384.391 4.646 50 0 GJAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1Cl ZINC000067298108 211007473 /nfs/dbraw/zinc/00/74/73/211007473.db2.gz BCJZXWXMHQQVEQ-PYCFMQQDSA-N 0 0 397.843 4.733 50 0 GJAARN CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1 ZINC000067295396 211007190 /nfs/dbraw/zinc/00/71/90/211007190.db2.gz RYUFQEUNIIAQCC-GYHWCHFESA-N 0 0 390.464 4.910 50 0 GJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3C)oc21 ZINC000067293462 211006890 /nfs/dbraw/zinc/00/68/90/211006890.db2.gz FIWVWTFRDPUHSN-LCUIJRPUSA-N 0 0 399.450 4.938 50 0 GJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1ccccc1F ZINC000067259117 211004786 /nfs/dbraw/zinc/00/47/86/211004786.db2.gz LECKFPPVAORYTN-UHFFFAOYSA-N 0 0 386.492 4.643 50 0 GJAARN Cc1cc(C)c(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)cc1C ZINC000067206881 211003948 /nfs/dbraw/zinc/00/39/48/211003948.db2.gz VRYMLGGWMLLLIZ-UHFFFAOYSA-N 0 0 388.511 4.917 50 0 GJAARN O=C(c1cccc2[nH]ccc21)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000066405823 211002634 /nfs/dbraw/zinc/00/26/34/211002634.db2.gz JPATUIIUNPKVNG-GOSISDBHSA-N 0 0 392.846 4.849 50 0 GJAARN O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1Cc2ccccc2S1 ZINC000065871769 211001079 /nfs/dbraw/zinc/00/10/79/211001079.db2.gz YHBHWIOXMZQQQR-HXUWFJFHSA-N 0 0 381.447 4.887 50 0 GJAARN CCOc1ccccc1-c1nc(Cc2nc(-c3ccc(OC)cc3)oc2C)no1 ZINC000065247394 210979756 /nfs/dbraw/zinc/97/97/56/210979756.db2.gz BRUTUGBTUMDEAZ-UHFFFAOYSA-N 0 0 391.427 4.698 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)nnn2Cc1ccccc1 ZINC000064956807 210955715 /nfs/dbraw/zinc/95/57/15/210955715.db2.gz BYAUSYMSFDXMCT-UHFFFAOYSA-N 0 0 376.847 4.694 50 0 GJAARN Cc1ccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1C ZINC000064950013 210955284 /nfs/dbraw/zinc/95/52/84/210955284.db2.gz KYUROVBUAGQPEY-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN O=C(NCc1ccccc1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064956003 210955144 /nfs/dbraw/zinc/95/51/44/210955144.db2.gz 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CCN(CC)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2cc(C)ccc21 ZINC000063869359 210936381 /nfs/dbraw/zinc/93/63/81/210936381.db2.gz VEQVITGRKCHNGI-UHFFFAOYSA-N 0 0 376.504 4.780 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000055742321 210889410 /nfs/dbraw/zinc/88/94/10/210889410.db2.gz NQFGCFBKSVPSMY-UHFFFAOYSA-N 0 0 392.286 4.657 50 0 GJAARN O=C([O-])c1ccc2[nH]c(-c3ccccc3OCCCC[NH+]3CCCCC3)nc2c1 ZINC000055244007 210885765 /nfs/dbraw/zinc/88/57/65/210885765.db2.gz YNTVHNOYTFDQSM-UHFFFAOYSA-N 0 0 393.487 4.573 50 0 GJAARN CCCOc1ccc(C(=O)CCC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000048361704 210854520 /nfs/dbraw/zinc/85/45/20/210854520.db2.gz ZOLDSGRMVZSJPN-UHFFFAOYSA-N 0 0 395.499 4.550 50 0 GJAARN Cc1nc(SCC(=O)N2CCC[C@H]2c2cccs2)n(CC(C)C)c1C ZINC000048324187 210852437 /nfs/dbraw/zinc/85/24/37/210852437.db2.gz VIGLUWSYSKLZPF-INIZCTEOSA-N 0 0 377.579 4.673 50 0 GJAARN COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 ZINC000048273181 210848021 /nfs/dbraw/zinc/84/80/21/210848021.db2.gz 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COc1cccc(NC(=O)Cn2c(-c3ccccc3)cn3c4ccccc4nc32)c1 ZINC000033330866 210645384 /nfs/dbraw/zinc/64/53/84/210645384.db2.gz HJQBMCBURJAADE-UHFFFAOYSA-N 0 0 396.450 4.603 50 0 GJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccccc3Cl)c2)C1 ZINC000033264104 210634918 /nfs/dbraw/zinc/63/49/18/210634918.db2.gz NKMSBKVKPZITLB-KRWDZBQOSA-N 0 0 385.895 4.501 50 0 GJAARN CC1CCN(C(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)nn3)c2)CC1 ZINC000033258034 210632357 /nfs/dbraw/zinc/63/23/57/210632357.db2.gz YXKHIIKCQXWJHU-UHFFFAOYSA-N 0 0 390.462 4.898 50 0 GJAARN O=C(Nc1ccc(-c2ccno2)cc1)c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000033257727 210631929 /nfs/dbraw/zinc/63/19/29/210631929.db2.gz HXMLFBIDKZYIDD-UHFFFAOYSA-N 0 0 386.411 4.911 50 0 GJAARN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000033312520 210642396 /nfs/dbraw/zinc/64/23/96/210642396.db2.gz QZHQJXFGRJUBIW-UHFFFAOYSA-N 0 0 386.908 4.814 50 0 GJAARN CCOc1ccc(NC(=O)Cc2csc(COc3ccc(CC)cc3)n2)cc1 ZINC000033011770 210615778 /nfs/dbraw/zinc/61/57/78/210615778.db2.gz 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210576634 /nfs/dbraw/zinc/57/66/34/210576634.db2.gz KMIWZUIOUACXET-UHFFFAOYSA-N 0 0 389.814 4.670 50 0 GJAARN O=C(NCc1ccc(F)cc1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000030988010 210561451 /nfs/dbraw/zinc/56/14/51/210561451.db2.gz LFDZIJOJOZYYGW-NRFANRHFSA-N 0 0 387.458 4.938 50 0 GJAARN COc1cc(OC)cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 ZINC000030301478 210554500 /nfs/dbraw/zinc/55/45/00/210554500.db2.gz KVKRKPBRFPGRKU-UHFFFAOYSA-N 0 0 379.378 4.527 50 0 GJAARN Nc1c(-c2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000027987350 210519709 /nfs/dbraw/zinc/51/97/09/210519709.db2.gz NRGAFNVLFBDKOH-UHFFFAOYSA-N 0 0 386.842 4.949 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1Cl ZINC000028287025 210524095 /nfs/dbraw/zinc/52/40/95/210524095.db2.gz HQSKPGBZHDONBE-NSHDSACASA-N 0 0 384.819 4.579 50 0 GJAARN CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000022699194 210419789 /nfs/dbraw/zinc/41/97/89/210419789.db2.gz IUHGCEWGBRKYLF-UHFFFAOYSA-N 0 0 399.903 4.792 50 0 GJAARN CC(=O)N1N=C(c2ccncc2)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941431 210402320 /nfs/dbraw/zinc/40/23/20/210402320.db2.gz SJFDUVVPJARXLG-XMMPIXPASA-N 0 0 394.434 4.536 50 0 GJAARN COc1cccc(NC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccnc2)c1 ZINC000021779738 210393299 /nfs/dbraw/zinc/39/32/99/210393299.db2.gz GWDWPQFQONXKKM-HSZRJFAPSA-N 0 0 398.466 4.751 50 0 GJAARN Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723266 210391993 /nfs/dbraw/zinc/39/19/93/210391993.db2.gz MKYNPPCJLYAAHH-UHFFFAOYSA-N 0 0 387.892 4.589 50 0 GJAARN CCCc1cc([C@@H]2CCCN2Cc2ccc(OC)c(Br)c2)no1 ZINC000021719865 210392023 /nfs/dbraw/zinc/39/20/23/210392023.db2.gz GHOSOAUJGBHIRO-KRWDZBQOSA-N 0 0 379.298 4.735 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1cccn2c1nnc2-c1ccccc1F ZINC000021723762 210391819 /nfs/dbraw/zinc/39/18/19/210391819.db2.gz HEUAFVJDUCRAHF-UHFFFAOYSA-N 0 0 380.810 4.750 50 0 GJAARN Cc1nn(-c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)c2c1C(=O)CCC2 ZINC000021717281 210391460 /nfs/dbraw/zinc/39/14/60/210391460.db2.gz ZEUPXLHDQQCVJG-NRFANRHFSA-N 0 0 399.494 4.507 50 0 GJAARN CCCCNC(=O)C(=O)c1c2ccccc2[nH]c1-c1ccc(Br)cc1 ZINC000021729087 210391102 /nfs/dbraw/zinc/39/11/02/210391102.db2.gz DFVACQVSJRBNAT-UHFFFAOYSA-N 0 0 399.288 4.696 50 0 GJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1F ZINC000021721016 210391110 /nfs/dbraw/zinc/39/11/10/210391110.db2.gz XAVHGVQUQXEIEG-CQSZACIVSA-N 0 0 396.260 4.816 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1OC ZINC000021873265 210396588 /nfs/dbraw/zinc/39/65/88/210396588.db2.gz ZEINNQZFIHBTNK-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN CC(C)N1CCn2c(nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc32)C1 ZINC000021800014 210393804 /nfs/dbraw/zinc/39/38/04/210393804.db2.gz HHNAMWZAMPIXNI-UHFFFAOYSA-N 0 0 390.531 4.810 50 0 GJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)c1 ZINC000021108052 210378627 /nfs/dbraw/zinc/37/86/27/210378627.db2.gz KLPFQSUHOQHISH-QFIPXVFZSA-N 0 0 389.455 4.650 50 0 GJAARN Cc1c(C(=O)NCc2ccc(C)cc2)sc2ncnc(N3CCCCCC3)c12 ZINC000021115944 210378262 /nfs/dbraw/zinc/37/82/62/210378262.db2.gz VGHNJYVYATWJSB-UHFFFAOYSA-N 0 0 394.544 4.619 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1cc(-c2cccs2)nn1-c1ccccc1 ZINC000021102314 210376690 /nfs/dbraw/zinc/37/66/90/210376690.db2.gz NLHVXXQBKIIJIA-UHFFFAOYSA-N 0 0 389.480 4.927 50 0 GJAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccc1C ZINC000021525037 210384248 /nfs/dbraw/zinc/38/42/48/210384248.db2.gz IUZMKLXUYRXQMN-OAQYLSRUSA-N 0 0 393.512 4.663 50 0 GJAARN Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000021465320 210382454 /nfs/dbraw/zinc/38/24/54/210382454.db2.gz VSTXVKPFRKSOHU-SECBINFHSA-N 0 0 397.497 4.973 50 0 GJAARN Cc1ccc(CNC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000021357701 210382524 /nfs/dbraw/zinc/38/25/24/210382524.db2.gz FLANLCRXPDQMJT-UHFFFAOYSA-N 0 0 398.510 4.989 50 0 GJAARN O=C(Nc1ccccc1Cl)NC1CCN(c2nc3ccccc3s2)CC1 ZINC000021175767 210380409 /nfs/dbraw/zinc/38/04/09/210380409.db2.gz XPCCKEBUZBVXOR-UHFFFAOYSA-N 0 0 386.908 4.740 50 0 GJAARN Cc1cc(Nc2ccc(Br)cc2)n2nc(Cc3ccccc3)nc2n1 ZINC000021173867 210379782 /nfs/dbraw/zinc/37/97/82/210379782.db2.gz OFZVQZYSECWJRV-UHFFFAOYSA-N 0 0 394.276 4.530 50 0 GJAARN CC[C@@H]1Nc2c(sc3nc(C)cc(COC)c32)C(=O)N1c1ccc(OC)cc1 ZINC000021169255 210379380 /nfs/dbraw/zinc/37/93/80/210379380.db2.gz OOCGJZXRMCIDBW-MRXNPFEDSA-N 0 0 397.500 4.568 50 0 GJAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccccc2)CC1 ZINC000021005308 210374078 /nfs/dbraw/zinc/37/40/78/210374078.db2.gz FZRHZKLHUVDMSS-UHFFFAOYSA-N 0 0 380.875 4.558 50 0 GJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)n2cccc2)cc1 ZINC000020997594 210373377 /nfs/dbraw/zinc/37/33/77/210373377.db2.gz LFLQPPQWDRFAIU-LJQANCHMSA-N 0 0 384.863 4.777 50 0 GJAARN C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCc2ccccc21 ZINC000020978945 210371541 /nfs/dbraw/zinc/37/15/41/210371541.db2.gz KSISRKXSTZFRMP-GFCCVEGCSA-N 0 0 378.255 4.518 50 0 GJAARN COc1cc(CN2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)ccc1O ZINC000020911399 210368512 /nfs/dbraw/zinc/36/85/12/210368512.db2.gz JUFFLAOQLOMYJB-JOCHJYFZSA-N 0 0 381.497 4.907 50 0 GJAARN CC(C)CC(=O)n1nc(-c2ccco2)nc1NCc1c(F)cccc1Cl ZINC000020894637 210366401 /nfs/dbraw/zinc/36/64/01/210366401.db2.gz LIPYMVVOZUZKAF-UHFFFAOYSA-N 0 0 376.819 4.629 50 0 GJAARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3Cl)sc2C1 ZINC000020897439 210366526 /nfs/dbraw/zinc/36/65/26/210366526.db2.gz BFTSKTMUKBXEIG-GFCCVEGCSA-N 0 0 378.925 4.965 50 0 GJAARN O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1cccs1 ZINC000020714623 210356279 /nfs/dbraw/zinc/35/62/79/210356279.db2.gz KFTWDPQGZIHFAB-UHFFFAOYSA-N 0 0 388.496 4.760 50 0 GJAARN O=C(NCc1cccs1)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000020864217 210365189 /nfs/dbraw/zinc/36/51/89/210365189.db2.gz AKFXGZBMYZONEI-UHFFFAOYSA-N 0 0 397.500 4.791 50 0 GJAARN CCC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868368 210364535 /nfs/dbraw/zinc/36/45/35/210364535.db2.gz FUGHFMSBXOKNOF-VXKWHMMOSA-N 0 0 391.914 4.583 50 0 GJAARN CCc1cccc(C)c1NC(=O)CN(CC)Cc1ccc(Br)s1 ZINC000020814833 210363470 /nfs/dbraw/zinc/36/34/70/210363470.db2.gz RFWMYYOAKMOZOC-UHFFFAOYSA-N 0 0 395.366 4.842 50 0 GJAARN O=C(NCCCC1CCCC1)c1cc(COc2cccc3cnccc32)on1 ZINC000020777679 210361332 /nfs/dbraw/zinc/36/13/32/210361332.db2.gz BPLLFAUVFPFKEK-UHFFFAOYSA-N 0 0 379.460 4.502 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1)CO3 ZINC000020610425 210351756 /nfs/dbraw/zinc/35/17/56/210351756.db2.gz MJKICFAYXUPMCY-UHFFFAOYSA-N 0 0 377.484 4.839 50 0 biogenic GJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c2)on1 ZINC000020580202 210347686 /nfs/dbraw/zinc/34/76/86/210347686.db2.gz WKCORUNPBJBZSW-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN COc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)ccc1OC(F)F ZINC000020616842 210354254 /nfs/dbraw/zinc/35/42/54/210354254.db2.gz LAILWABHCQOYGS-UHFFFAOYSA-N 0 0 387.308 4.573 50 0 GJAARN N=c1n(CCCOc2ccc(F)cc2)c2ccccc2n1CCc1ccccc1 ZINC000020512369 210344506 /nfs/dbraw/zinc/34/45/06/210344506.db2.gz LQMGCKVXDDVZON-UHFFFAOYSA-N 0 0 389.474 4.773 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)c1cccs1 ZINC000020509700 210343985 /nfs/dbraw/zinc/34/39/85/210343985.db2.gz GLKKCIGYZMIYFQ-QGZVFWFLSA-N 0 0 395.871 4.971 50 0 GJAARN COc1ccccc1[C@H]1CN(Cc2cccc3c2OCO3)Cc2ccccc2O1 ZINC000020351683 210330093 /nfs/dbraw/zinc/33/00/93/210330093.db2.gz ZNONTAILQVKEBK-HSZRJFAPSA-N 0 0 389.451 4.560 50 0 GJAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cc(C(C)C)n[nH]2)n1 ZINC000020293652 210327286 /nfs/dbraw/zinc/32/72/86/210327286.db2.gz KVJPAZKHZZCXGP-DEOSSOPVSA-N 0 0 385.515 4.866 50 0 GJAARN CN(C)c1nc(Cl)c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)s1 ZINC000020212068 210320749 /nfs/dbraw/zinc/32/07/49/210320749.db2.gz LEWIVBCGOMJWPB-CYBMUJFWSA-N 0 0 398.359 4.611 50 0 GJAARN N=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000020123735 210317552 /nfs/dbraw/zinc/31/75/52/210317552.db2.gz FUFWJPHDFNIKTA-UHFFFAOYSA-N 0 0 377.875 4.703 50 0 GJAARN Cc1noc(-c2ccccc2)c1CN1CCc2[nH]nc(Cc3ccccc3)c2C1 ZINC000019853162 210301832 /nfs/dbraw/zinc/30/18/32/210301832.db2.gz DSZADXKHGWPBLA-UHFFFAOYSA-N 0 0 384.483 4.522 50 0 GJAARN Fc1ccc(-c2cc(-c3nnc4sc(-c5cccc(Cl)c5)nn43)[nH]n2)cc1 ZINC000019827310 210300350 /nfs/dbraw/zinc/30/03/50/210300350.db2.gz HQEYWJQWEDMUKT-UHFFFAOYSA-N 0 0 396.838 4.702 50 0 GJAARN c1ccc(SCc2[nH]nc3c2CN(Cc2ccc4ccccc4n2)CC3)cc1 ZINC000019790039 210296748 /nfs/dbraw/zinc/29/67/48/210296748.db2.gz YEVSFDLXOUSPDR-UHFFFAOYSA-N 0 0 386.524 4.809 50 0 GJAARN O=C(CSCC(=O)N(C1CCCCC1)C1CCCCC1)Nc1ccccc1 ZINC000000686727 220452125 /nfs/dbraw/zinc/45/21/25/220452125.db2.gz IWGQJANMWAOEBG-UHFFFAOYSA-N 0 0 388.577 4.852 50 0 GJAARN CC(=O)c1ccc(N2C(=O)c3cccc4cc(Br)cc(c43)C2=O)cc1 ZINC000000686957 220453233 /nfs/dbraw/zinc/45/32/33/220453233.db2.gz FNBZIOZIQLJVHO-UHFFFAOYSA-N 0 0 394.224 4.606 50 0 GJAARN COc1cccc(OCCOCCOc2cccc(Oc3ccccc3)c2)c1 ZINC000002991113 220593173 /nfs/dbraw/zinc/59/31/73/220593173.db2.gz YJYUCQIIAHOUPV-UHFFFAOYSA-N 0 0 380.440 4.962 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)o1 ZINC000006612437 220945133 /nfs/dbraw/zinc/94/51/33/220945133.db2.gz MEHVONZGZDJCBX-NEPJUHHUSA-N 0 0 394.265 4.740 50 0 GJAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccnn1Cc1cccs1 ZINC000007986381 221019229 /nfs/dbraw/zinc/01/92/29/221019229.db2.gz HZGSQVVGAZLVLU-UHFFFAOYSA-N 0 0 377.469 4.824 50 0 GJAARN COc1ccc2cc([C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)ccc2c1 ZINC000007987637 221020053 /nfs/dbraw/zinc/02/00/53/221020053.db2.gz KDYBURYYNJFBNW-HNNXBMFYSA-N 0 0 377.440 4.752 50 0 GJAARN CCN(C(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)c1cc(C)ccc1C ZINC000008596297 221045516 /nfs/dbraw/zinc/04/55/16/221045516.db2.gz OYTLMTNDTJWVHC-UHFFFAOYSA-N 0 0 392.503 4.805 50 0 GJAARN Cc1nc(-c2ccc(OCc3ccc(C(=O)Nc4ccccc4)cc3)cc2)no1 ZINC000008750384 221055527 /nfs/dbraw/zinc/05/55/27/221055527.db2.gz MDMWONYNSUDCFJ-UHFFFAOYSA-N 0 0 385.423 4.876 50 0 GJAARN O=C([C@@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1)N1CCCCC1 ZINC000008753272 221055967 /nfs/dbraw/zinc/05/59/67/221055967.db2.gz DWKYYIHOVJBHJD-FQEVSTJZSA-N 0 0 393.512 4.506 50 0 GJAARN C[C@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009052735 221069382 /nfs/dbraw/zinc/06/93/82/221069382.db2.gz GSGIRQPJSSVRGZ-RCDICMHDSA-N 0 0 392.886 4.928 50 0 GJAARN O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000010372633 221101194 /nfs/dbraw/zinc/10/11/94/221101194.db2.gz MWIKUCQRCNXEEA-LJQANCHMSA-N 0 0 388.496 4.518 50 0 GJAARN CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccncc4)cc3o2)cc1 ZINC000009660296 221088323 /nfs/dbraw/zinc/08/83/23/221088323.db2.gz ZGTMACGYKFADLI-UHFFFAOYSA-N 0 0 386.407 4.506 50 0 GJAARN Cc1ccc(N[C@H]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)cc1C ZINC000011820911 221128725 /nfs/dbraw/zinc/12/87/25/221128725.db2.gz KYVIQYVUBMTTKK-NRFANRHFSA-N 0 0 382.479 4.509 50 0 GJAARN Cc1ccccc1[C@@H](CC(=O)N(Cc1nccn1C)C(C)C)c1ccccc1 ZINC000011820006 221129255 /nfs/dbraw/zinc/12/92/55/221129255.db2.gz WCXWEUWKEBRLDV-QFIPXVFZSA-N 0 0 375.516 4.688 50 0 GJAARN CC(C)c1nc2cc(C(=O)N3CCC[C@@H](C(=O)c4cccs4)C3)ccc2o1 ZINC000011839302 221131425 /nfs/dbraw/zinc/13/14/25/221131425.db2.gz HVWMANQHPVTZMU-OAHLLOKOSA-N 0 0 382.485 4.748 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)OCc1ccccc1C(F)(F)F ZINC000011123647 221111036 /nfs/dbraw/zinc/11/10/36/221111036.db2.gz YOFNJIUXPBCKLK-UHFFFAOYSA-N 0 0 378.375 4.889 50 0 GJAARN Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1NC(=O)c1ccco1 ZINC000011179055 221112482 /nfs/dbraw/zinc/11/24/82/221112482.db2.gz GNJOQBZIZLTITB-UHFFFAOYSA-N 0 0 388.467 4.692 50 0 GJAARN COc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH]nc2C2CCCCC2)C1 ZINC000011935519 221138872 /nfs/dbraw/zinc/13/88/72/221138872.db2.gz NYYRUXGHQBHJJI-GOSISDBHSA-N 0 0 381.520 4.561 50 0 GJAARN COc1ccccc1Oc1coc2c(ccc3c2CN(C2CCCC2)CO3)c1=O ZINC000012442501 221195774 /nfs/dbraw/zinc/19/57/74/221195774.db2.gz YMYPZJUTHDLQST-UHFFFAOYSA-N 0 0 393.439 4.688 50 0 biogenic GJAARN CCN(c1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1)C(C)C ZINC000012553992 221205510 /nfs/dbraw/zinc/20/55/10/221205510.db2.gz DSPHYDXJJHVCDM-HSZRJFAPSA-N 0 0 391.515 4.824 50 0 GJAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000012784658 221231604 /nfs/dbraw/zinc/23/16/04/221231604.db2.gz BJBXCFNTUODZOW-UHFFFAOYSA-N 0 0 378.516 4.918 50 0 GJAARN CC(C)c1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 ZINC000012893092 221242330 /nfs/dbraw/zinc/24/23/30/221242330.db2.gz IMVWFYALPZBJIB-INIZCTEOSA-N 0 0 396.556 4.672 50 0 GJAARN Cc1c(C[NH2+]Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777019 221344857 /nfs/dbraw/zinc/34/48/57/221344857.db2.gz PXQMZQHCQRFYRU-UHFFFAOYSA-N 0 0 382.891 4.795 50 0 GJAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(c2ccccc2O)CC1 ZINC000043389263 132416084 /nfs/dbraw/zinc/41/60/84/132416084.db2.gz OVZGQYUEUHMDIO-UHFFFAOYSA-N 0 0 387.911 4.525 50 0 GJAARN COc1ccccc1N1CCN(Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000058159096 136154489 /nfs/dbraw/zinc/15/44/89/136154489.db2.gz IJDMIWWOODZXDJ-UHFFFAOYSA-N 0 0 394.544 4.526 50 0 GJAARN O=C(NCCCN1c2ccccc2Sc2ccccc21)NCc1ccncc1 ZINC000060895021 136155892 /nfs/dbraw/zinc/15/58/92/136155892.db2.gz FQQRLDUBECHLAR-UHFFFAOYSA-N 0 0 390.512 4.574 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023344 136158697 /nfs/dbraw/zinc/15/86/97/136158697.db2.gz WNVKAUMNLNKDAC-HXUWFJFHSA-N 0 0 386.499 4.616 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023697 136158765 /nfs/dbraw/zinc/15/87/65/136158765.db2.gz CPTITWKQOSFPBB-KRWDZBQOSA-N 0 0 392.890 4.652 50 0 GJAARN O=C(Nc1cc(F)cc(F)c1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025745 136158900 /nfs/dbraw/zinc/15/89/00/136158900.db2.gz SVNHAKUBSWYHPZ-UHFFFAOYSA-N 0 0 394.425 4.664 50 0 GJAARN FC(F)(F)c1ccc(N2CCC(Nc3nc4ccccc4s3)CC2)nc1 ZINC000072270847 136167941 /nfs/dbraw/zinc/16/79/41/136167941.db2.gz AWJPOKRJOIBILX-UHFFFAOYSA-N 0 0 378.423 4.791 50 0 GJAARN O=C(c1ccc(N2CCC[C@@H](CCc3cccc(F)c3)C2)nc1)N1CCCCC1 ZINC000072421068 136169868 /nfs/dbraw/zinc/16/98/68/136169868.db2.gz SFZNALSVIDZOCV-FQEVSTJZSA-N 0 0 395.522 4.696 50 0 GJAARN Cc1nc2sccc2c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000072447289 136171009 /nfs/dbraw/zinc/17/10/09/136171009.db2.gz NNTMIMLIOLZQOT-HNNXBMFYSA-N 0 0 380.300 4.884 50 0 GJAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 ZINC000084686985 136175172 /nfs/dbraw/zinc/17/51/72/136175172.db2.gz KASVQNJSKACMET-WBMJQRKESA-N 0 0 386.904 4.687 50 0 GJAARN FC(F)(F)c1cc(N2CCC[C@H](c3nnc4ccccn43)C2)c2ccccc2n1 ZINC000089866627 136175750 /nfs/dbraw/zinc/17/57/50/136175750.db2.gz UBQDGFAEXNRRTO-AWEZNQCLSA-N 0 0 397.404 4.680 50 0 GJAARN O=C(Cc1ccsc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000096103534 136183743 /nfs/dbraw/zinc/18/37/43/136183743.db2.gz ADDJYNQANLKXLR-UHFFFAOYSA-N 0 0 376.481 4.522 50 0 GJAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2cccc(C)c2C)C1=O ZINC000100802043 136189296 /nfs/dbraw/zinc/18/92/96/136189296.db2.gz PJBRLGFJNWFRLV-HMMYKYKNSA-N 0 0 398.462 4.952 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(O)ccc3C)C2=O)cc1C ZINC000102624548 136190227 /nfs/dbraw/zinc/19/02/27/136190227.db2.gz DDBDOWQBZWMGCV-HMAPJEAMSA-N 0 0 398.462 4.957 50 0 GJAARN CC[C@@H](C)N/C=C1/c2ccccc2C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000105898183 136191529 /nfs/dbraw/zinc/19/15/29/136191529.db2.gz HKUPKVSANUCVKJ-OPCAMPFDSA-N 0 0 388.389 4.621 50 0 GJAARN Cc1ccc(N2CCN(c3nc(C)nc4sc5c(c43)CCCC5)C[C@H]2C)cc1 ZINC000002921777 136193546 /nfs/dbraw/zinc/19/35/46/136193546.db2.gz YVYAHIDEPJITOX-MRXNPFEDSA-N 0 0 392.572 4.902 50 0 GJAARN Cc1cc(F)ccc1-c1ccc(CNc2cccc(N3CCCNC3=O)c2)o1 ZINC000152147865 136194044 /nfs/dbraw/zinc/19/40/44/136194044.db2.gz ALTDJIKPDIGMJJ-UHFFFAOYSA-N 0 0 379.435 4.926 50 0 GJAARN Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000028291472 221674505 /nfs/dbraw/zinc/67/45/05/221674505.db2.gz YMHOZYUYNGCXEV-INIZCTEOSA-N 0 0 383.879 4.608 50 0 GJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccco1)C(=O)C1CC1 ZINC000036208157 221847385 /nfs/dbraw/zinc/84/73/85/221847385.db2.gz HFXZNXWNUDZQSW-UHFFFAOYSA-N 0 0 393.487 4.720 50 0 GJAARN Cc1ccc(-n2nnnc2SCc2cc(-c3ccc(Cl)cc3)no2)c(C)c1 ZINC000040024153 221897969 /nfs/dbraw/zinc/89/79/69/221897969.db2.gz JUJPNFCXQCRCBA-UHFFFAOYSA-N 0 0 397.891 4.880 50 0 GJAARN CCN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1C2CC3CC(C2)CC1C3 ZINC000040090295 221904481 /nfs/dbraw/zinc/90/44/81/221904481.db2.gz MFCUYWNUKYLHBU-PQDNMRQUSA-N 0 0 383.532 4.531 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1ccsc1-c1nnc(C(C)C)o1 ZINC000065218741 222111787 /nfs/dbraw/zinc/11/17/87/222111787.db2.gz RIJSHCAEWUFSFH-UHFFFAOYSA-N 0 0 377.853 4.836 50 0 GJAARN COc1ccc(-c2cncc(C(=O)Nc3cccc(Br)c3)c2)cc1 ZINC000064568290 222075597 /nfs/dbraw/zinc/07/55/97/222075597.db2.gz MWWQZKUOSFQEQL-UHFFFAOYSA-N 0 0 383.245 4.772 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)cc1C ZINC000064664413 222077401 /nfs/dbraw/zinc/07/74/01/222077401.db2.gz YRPXEKXNJSVRGR-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN O=C(CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F ZINC000072092935 222205365 /nfs/dbraw/zinc/20/53/65/222205365.db2.gz AMOOTJWXORQICT-SFHVURJKSA-N 0 0 397.277 4.535 50 0 GJAARN CSc1ccc(-c2ccc(C(=O)N(C)Cc3nncn3C(C)C)cc2)cc1 ZINC000426674300 534179355 /nfs/dbraw/zinc/17/93/55/534179355.db2.gz RZHPDIXVXQGJSR-UHFFFAOYSA-N 0 0 380.517 4.520 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919314 534346954 /nfs/dbraw/zinc/34/69/54/534346954.db2.gz AZHZWCKSCQNNNP-UHFFFAOYSA-N 0 0 392.821 4.979 50 0 GJAARN O=C(c1ccc(-c2ccsc2)cc1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000426504001 534683126 /nfs/dbraw/zinc/68/31/26/534683126.db2.gz NIZCWWQKUXUJRW-OAQYLSRUSA-N 0 0 378.497 4.632 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccccc2)cc1 ZINC000239386722 523880025 /nfs/dbraw/zinc/88/00/25/523880025.db2.gz QDFYVWRFPZHCGO-VWNXMTODSA-N 0 0 386.451 4.946 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)cc1 ZINC000040009510 525242412 /nfs/dbraw/zinc/24/24/12/525242412.db2.gz NZEGDYHCZUFMEU-HNNXBMFYSA-N 0 0 377.893 4.737 50 0 GJAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)N[C@H](c2cccs2)c2ccccc2)o1 ZINC000011502995 525339897 /nfs/dbraw/zinc/33/98/97/525339897.db2.gz OWZMHOVTYYKDAE-ICPLQIHGSA-N 0 0 394.540 4.802 50 0 GJAARN COc1ccc2nc(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)sc2c1 ZINC000004757456 525673023 /nfs/dbraw/zinc/67/30/23/525673023.db2.gz QHWJZDRKVGXFEO-KRWDZBQOSA-N 0 0 399.560 4.528 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)N3CC[C@H](C)Sc4ccccc43)nc2c1 ZINC000008231624 525679864 /nfs/dbraw/zinc/67/98/64/525679864.db2.gz BMONZKPFZLDKCI-ZDUSSCGKSA-N 0 0 399.541 4.581 50 0 GJAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000023153492 526709136 /nfs/dbraw/zinc/70/91/36/526709136.db2.gz DFXOFXXOCZILOK-HXUWFJFHSA-N 0 0 386.451 4.609 50 0 GJAARN COc1ccc2nc(C)cc(SCC(=O)N3CCCc4ccccc43)c2c1 ZINC000096592470 537047992 /nfs/dbraw/zinc/04/79/92/537047992.db2.gz BKUQZYYBPGAAOS-UHFFFAOYSA-N 0 0 378.497 4.623 50 0 GJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004025285 560193213 /nfs/dbraw/zinc/19/32/13/560193213.db2.gz RQZAXGRLVPAYTJ-YLNXRLNMSA-N 0 0 384.516 4.575 50 0 biogenic,in-vitro GJAARN Cc1oc(-c2ccccc2F)nc1CSCC(=O)NC1CCCCCC1 ZINC000005057607 570211241 /nfs/dbraw/zinc/21/12/41/570211241.db2.gz BXUGKEQLJSYPKP-UHFFFAOYSA-N 0 0 376.497 4.861 50 0 GJAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1cccc2ccccc21 ZINC000000628707 570211723 /nfs/dbraw/zinc/21/17/23/570211723.db2.gz RLDGUFDXRQIRFJ-UHFFFAOYSA-N 0 0 390.493 4.828 50 0 GJAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccccc1O ZINC000000642695 570213587 /nfs/dbraw/zinc/21/35/87/570213587.db2.gz FWPGBARJBDOWHQ-UHFFFAOYSA-N 0 0 377.010 4.806 50 0 GJAARN Cc1ccccc1NC1=C(Cl)C(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000000645407 570213982 /nfs/dbraw/zinc/21/39/82/570213982.db2.gz SUTGAWCQKVSPFL-UHFFFAOYSA-N 0 0 381.646 4.738 50 0 GJAARN COC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CC[C@@H](C)C2 ZINC000000655669 570214703 /nfs/dbraw/zinc/21/47/03/570214703.db2.gz PSPFCBMCMKMFEL-SNVBAGLBSA-N 0 0 395.427 4.513 50 0 GJAARN CCOc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OCC ZINC000000667564 570215377 /nfs/dbraw/zinc/21/53/77/570215377.db2.gz HKIMYWFTWKNKSE-UHFFFAOYSA-N 0 0 382.229 4.638 50 0 GJAARN Cc1cc(C)c(NC(=S)NC(=O)c2ccccc2Br)c(C)c1 ZINC000000678978 570216368 /nfs/dbraw/zinc/21/63/68/570216368.db2.gz RPOHHTQNJHNBMK-UHFFFAOYSA-N 0 0 377.307 4.501 50 0 GJAARN C[C@@H](NC(=O)c1ccc(Br)cc1Br)c1ccccc1 ZINC000000682588 570217156 /nfs/dbraw/zinc/21/71/56/570217156.db2.gz FOOZFIIYPGXXRD-SNVBAGLBSA-N 0 0 383.083 4.703 50 0 GJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 ZINC000000688766 570218392 /nfs/dbraw/zinc/21/83/92/570218392.db2.gz OJMSZKDBPLFEIK-SAAWKEMMSA-N 0 0 382.529 4.650 50 0 GJAARN CCN(CC)c1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000702306 570218598 /nfs/dbraw/zinc/21/85/98/570218598.db2.gz VRXQPRYMLRCHSU-UHFFFAOYSA-N 0 0 387.980 4.684 50 0 GJAARN COC(=O)c1cc(Cl)c(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1OC ZINC000048112944 570218686 /nfs/dbraw/zinc/21/86/86/570218686.db2.gz SJNNEPHKBYTPGV-OAHLLOKOSA-N 0 0 394.880 4.566 50 0 GJAARN Cc1ccc(CN(Cc2ccccn2)C(=O)c2cccc(-c3cn[nH]c3)c2)s1 ZINC000096180758 570218630 /nfs/dbraw/zinc/21/86/30/570218630.db2.gz BFGOIUOFCQBLKV-UHFFFAOYSA-N 0 0 388.496 4.684 50 0 GJAARN C[C@@H]1CN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)C[C@@H](C)O1 ZINC000011560687 570218842 /nfs/dbraw/zinc/21/88/42/570218842.db2.gz DGEAQYMWAGSDAC-HZPDHXFCSA-N 0 0 380.463 4.542 50 0 GJAARN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c1 ZINC000000705167 570219015 /nfs/dbraw/zinc/21/90/15/570219015.db2.gz ZRXUIRVZIKERPX-ZQFKLAOWSA-N 0 0 379.459 4.566 50 0 GJAARN CCOC(=O)c1c(C)n(-c2ccccc2OC)c2c1cc(O)c1ccccc21 ZINC000000708729 570219299 /nfs/dbraw/zinc/21/92/99/570219299.db2.gz UBHQXYXRTLEAAP-UHFFFAOYSA-N 0 0 375.424 4.983 50 0 biogenic GJAARN Cc1ccc(C(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000000715047 570219673 /nfs/dbraw/zinc/21/96/73/570219673.db2.gz FMQTUWXDPSDMIV-UHFFFAOYSA-N 0 0 381.501 4.975 50 0 GJAARN CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@H](C)C3)cc1 ZINC000000722319 570220461 /nfs/dbraw/zinc/22/04/61/570220461.db2.gz ZIRHMVPEKMUWCR-ZDUSSCGKSA-N 0 0 386.517 4.872 50 0 GJAARN Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(C)s1 ZINC000032532368 570220569 /nfs/dbraw/zinc/22/05/69/570220569.db2.gz UOSAQJFMXFMCRZ-UHFFFAOYSA-N 0 0 380.716 4.582 50 0 GJAARN O=Cc1cn(-c2ccc(F)c(Cl)c2)nc1-c1ccc(Br)cc1 ZINC000000732178 570221732 /nfs/dbraw/zinc/22/17/32/570221732.db2.gz HCCVIEJYXLKDLG-UHFFFAOYSA-N 0 0 379.616 4.907 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1 ZINC000019819522 570222345 /nfs/dbraw/zinc/22/23/45/570222345.db2.gz UDSBEBGPBFRPOT-UHFFFAOYSA-N 0 0 385.514 4.710 50 0 GJAARN CSc1ccc(CNC(=O)c2oc3c(c2C)[C@@H]2N=C(C)S[C@@H]2CC3)cc1 ZINC000015730021 570222836 /nfs/dbraw/zinc/22/28/36/570222836.db2.gz MGOSYLVPZZKGNA-SJLPKXTDSA-N 0 0 386.542 4.761 50 0 GJAARN Clc1ccc(-c2cc(-c3nnc4sc(-c5cccs5)nn43)[nH]n2)cc1 ZINC000019827418 570223137 /nfs/dbraw/zinc/22/31/37/570223137.db2.gz OZIGHWCBZHIXHV-UHFFFAOYSA-N 0 0 384.877 4.625 50 0 GJAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc2ccccc2c1 ZINC000000802443 570224351 /nfs/dbraw/zinc/22/43/51/570224351.db2.gz XTTBDRVILKZRIU-UHFFFAOYSA-N 0 0 375.453 4.544 50 0 GJAARN O=C(CSc1nc2ccccc2s1)Nc1ccccc1Br ZINC000000811265 570224882 /nfs/dbraw/zinc/22/48/82/570224882.db2.gz HBKPXJMIDFBPKR-UHFFFAOYSA-N 0 0 379.304 4.790 50 0 GJAARN N=C1SC(=Cc2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000019848105 570225194 /nfs/dbraw/zinc/22/51/94/570225194.db2.gz XXCAZJSCFPKEHQ-KCBCAQTCSA-N 0 0 398.850 4.925 50 0 GJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000001447929 570225210 /nfs/dbraw/zinc/22/52/10/570225210.db2.gz HQHCQDBRESKKDH-ZDUSSCGKSA-N 0 0 386.831 4.752 50 0 biogenic GJAARN O=C(NC1CCCCC1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000000825030 570225244 /nfs/dbraw/zinc/22/52/44/570225244.db2.gz VDEGLBPHGBMXDW-HMMYKYKNSA-N 0 0 382.891 4.560 50 0 GJAARN CC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000012813365 570227699 /nfs/dbraw/zinc/22/76/99/570227699.db2.gz YRWNWIOULXJELZ-UHFFFAOYSA-N 0 0 386.442 4.579 50 0 GJAARN COc1ccc(OC)c(Nc2nc(-c3c(C)nc4cc(C)ccn43)cs2)c1 ZINC000000888770 570228236 /nfs/dbraw/zinc/22/82/36/570228236.db2.gz DNOFWUDYJMPIPJ-UHFFFAOYSA-N 0 0 380.473 4.835 50 0 GJAARN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)c1cccnc1 ZINC000000937570 570230244 /nfs/dbraw/zinc/23/02/44/570230244.db2.gz KLPZVNWGZVRTNQ-UHFFFAOYSA-N 0 0 380.469 4.802 50 0 GJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccs1 ZINC000000939372 570230351 /nfs/dbraw/zinc/23/03/51/570230351.db2.gz SHHAEKNLWVAXKE-UHFFFAOYSA-N 0 0 387.482 4.914 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000000946934 570230693 /nfs/dbraw/zinc/23/06/93/570230693.db2.gz ZNZILUUMLRXAOZ-UHFFFAOYSA-N 0 0 389.517 4.991 50 0 GJAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N3CCc4ccccc43)s2)c1 ZINC000006057730 570231123 /nfs/dbraw/zinc/23/11/23/570231123.db2.gz PARSJUHWWFNUEW-CQSZACIVSA-N 0 0 396.541 4.660 50 0 GJAARN CC(C)CC(=O)Nc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000044031235 570231145 /nfs/dbraw/zinc/23/11/45/570231145.db2.gz VRKUJQROXODDJC-UHFFFAOYSA-N 0 0 378.476 4.517 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c(Br)c1 ZINC000000951041 570231157 /nfs/dbraw/zinc/23/11/57/570231157.db2.gz DADAKJFIRMCPHI-UHFFFAOYSA-N 0 0 378.266 4.562 50 0 GJAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)s2)c1 ZINC000006057728 570231254 /nfs/dbraw/zinc/23/12/54/570231254.db2.gz PARSJUHWWFNUEW-AWEZNQCLSA-N 0 0 396.541 4.660 50 0 GJAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)OCc1ccccc1 ZINC000000951370 570231286 /nfs/dbraw/zinc/23/12/86/570231286.db2.gz CHJDGGGZIRDJNJ-ZDUSSCGKSA-N 0 0 384.526 4.794 50 0 GJAARN CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OC2CCCCC2)=C1C ZINC000000970933 570232580 /nfs/dbraw/zinc/23/25/80/570232580.db2.gz IFLGLMVDKFNWCR-GOSISDBHSA-N 0 0 376.884 4.576 50 0 GJAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3ccccc3n2)cc1 ZINC000000990946 570233617 /nfs/dbraw/zinc/23/36/17/570233617.db2.gz ZUWISPYELZCSBY-UHFFFAOYSA-N 0 0 397.430 4.950 50 0 GJAARN COc1ccc(C(=O)COc2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000000993064 570233924 /nfs/dbraw/zinc/23/39/24/570233924.db2.gz NFBCLXIGRXZRPA-UHFFFAOYSA-N 0 0 375.424 4.518 50 0 GJAARN Cc1cc(C(=O)O[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(C)n1C1CC1 ZINC000048300216 570234225 /nfs/dbraw/zinc/23/42/25/570234225.db2.gz WCPVIUCLCRAKEV-CQSZACIVSA-N 0 0 383.423 4.855 50 0 GJAARN Cc1ccn2cc(C(=O)Nc3c(-c4ccc(F)cc4)nc4cc(C)ccn43)nc2c1 ZINC000020011334 570234948 /nfs/dbraw/zinc/23/49/48/570234948.db2.gz LYSYTQOMTCQLRD-UHFFFAOYSA-N 0 0 399.429 4.657 50 0 GJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1cccs1 ZINC000001023642 570235559 /nfs/dbraw/zinc/23/55/59/570235559.db2.gz VOZXUJODHSDQIZ-UHFFFAOYSA-N 0 0 391.521 4.895 50 0 GJAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 ZINC000026013264 570235682 /nfs/dbraw/zinc/23/56/82/570235682.db2.gz GYEHULVSNQMVNX-UHFFFAOYSA-N 0 0 378.403 4.615 50 0 GJAARN C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)c1nc(C(C)(C)C)no1 ZINC000048324987 570235797 /nfs/dbraw/zinc/23/57/97/570235797.db2.gz PPDMMADWWRZSKV-SNVBAGLBSA-N 0 0 394.884 4.836 50 0 GJAARN O=C(OCc1ccccc1)c1cnc(Nc2ccc(F)cc2)nc1C(F)(F)F ZINC000001026983 570235980 /nfs/dbraw/zinc/23/59/80/570235980.db2.gz JWDQCVQQGNMXAC-UHFFFAOYSA-N 0 0 391.324 4.735 50 0 GJAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000001034620 570236492 /nfs/dbraw/zinc/23/64/92/570236492.db2.gz FLIAPQCIALVJTC-CYBMUJFWSA-N 0 0 388.558 4.536 50 0 GJAARN Cc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023309965 570236963 /nfs/dbraw/zinc/23/69/63/570236963.db2.gz ISAKFDKEBKHDKZ-DEOSSOPVSA-N 0 0 388.486 4.682 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023312145 570237191 /nfs/dbraw/zinc/23/71/91/570237191.db2.gz OOJLZPQNGCTAGL-UZUQRXQVSA-N 0 0 375.443 4.767 50 0 GJAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)cc1OC ZINC000001040225 570237259 /nfs/dbraw/zinc/23/72/59/570237259.db2.gz ABVPFDWJXPMWFE-UHFFFAOYSA-N 0 0 379.382 4.730 50 0 GJAARN O=C(CSc1ccc(Br)cc1)Nc1cc(F)c(F)cc1F ZINC000001040926 570237648 /nfs/dbraw/zinc/23/76/48/570237648.db2.gz FMPZCOKBOIYYKC-UHFFFAOYSA-N 0 0 376.197 4.597 50 0 GJAARN O=C(c1sc2ccccc2c1Cl)N1CCCN2C(=O)c3ccccc3[C@@H]21 ZINC000001048067 570238253 /nfs/dbraw/zinc/23/82/53/570238253.db2.gz KRRNJWNNXQJXKX-SFHVURJKSA-N 0 0 382.872 4.555 50 0 GJAARN O=C(c1sc2ccccc2c1Cl)N1CCCN2C(=O)c3ccccc3[C@H]21 ZINC000001048068 570238618 /nfs/dbraw/zinc/23/86/18/570238618.db2.gz KRRNJWNNXQJXKX-GOSISDBHSA-N 0 0 382.872 4.555 50 0 GJAARN O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)c1cccnc1 ZINC000048332055 570238786 /nfs/dbraw/zinc/23/87/86/570238786.db2.gz LMTBNLAZTRZOEW-LJQANCHMSA-N 0 0 392.484 4.764 50 0 GJAARN CC(C)(Oc1ccc(Br)cc1)C(=O)NCc1ccccc1Cl ZINC000001059646 570239356 /nfs/dbraw/zinc/23/93/56/570239356.db2.gz RGFODSIJZLRARI-UHFFFAOYSA-N 0 0 382.685 4.576 50 0 GJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1oc2ccccc2c1C ZINC000001473901 570239635 /nfs/dbraw/zinc/23/96/35/570239635.db2.gz HXURCVVVIQJKQG-UHFFFAOYSA-N 0 0 385.441 4.743 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000001072767 570240682 /nfs/dbraw/zinc/24/06/82/570240682.db2.gz 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O=C(CSc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000001143074 570248073 /nfs/dbraw/zinc/24/80/73/570248073.db2.gz PIMQMAZJVZIKKJ-UHFFFAOYSA-N 0 0 377.425 4.727 50 0 GJAARN C[C@@H](Sc1nnc2ccccn21)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006114728 570248361 /nfs/dbraw/zinc/24/83/61/570248361.db2.gz DBMGKVMWWAGYSU-OAHLLOKOSA-N 0 0 390.468 4.641 50 0 GJAARN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000001146575 570248866 /nfs/dbraw/zinc/24/88/66/570248866.db2.gz WEJVVYWGPONBOF-CYBMUJFWSA-N 0 0 376.909 4.598 50 0 GJAARN CN(CCOC(=O)c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000020230199 570249040 /nfs/dbraw/zinc/24/90/40/570249040.db2.gz ZJXBJNCFTQJUAO-UHFFFAOYSA-N 0 0 393.192 4.700 50 0 GJAARN CC(C)n1ncc2cc(C(=O)N(C)C(c3ccccc3)c3ccccc3)cnc21 ZINC000012821335 570250051 /nfs/dbraw/zinc/25/00/51/570250051.db2.gz DGSZXDYKSRLYGI-UHFFFAOYSA-N 0 0 384.483 4.874 50 0 GJAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCCc2ccc(Cl)cc2)o1 ZINC000085653637 570250396 /nfs/dbraw/zinc/25/03/96/570250396.db2.gz 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/nfs/dbraw/zinc/25/41/43/570254143.db2.gz MPNVVPNTXHUFJK-UHFFFAOYSA-N 0 0 389.757 4.637 50 0 GJAARN CCc1ccccc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000032943016 570254237 /nfs/dbraw/zinc/25/42/37/570254237.db2.gz YQQLQXATCXINIM-UHFFFAOYSA-N 0 0 387.892 4.824 50 0 GJAARN CN(C)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 ZINC000001180893 570255222 /nfs/dbraw/zinc/25/52/22/570255222.db2.gz URWGBZHGEGZWRE-ONNFQVAWSA-N 0 0 394.327 4.586 50 0 GJAARN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1Cl ZINC000001181371 570255557 /nfs/dbraw/zinc/25/55/57/570255557.db2.gz BVELROMQNGKZPC-RUDMXATFSA-N 0 0 381.284 4.528 50 0 GJAARN Cc1cccc(-n2c(=O)c3cnn(-c4ccccc4)c3nc2-c2ccccc2)c1 ZINC000001185038 570256228 /nfs/dbraw/zinc/25/62/28/570256228.db2.gz YWXLLWNVTQDKIP-UHFFFAOYSA-N 0 0 378.435 4.547 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ncccc3C)c3ccccc3n2)cc1OC ZINC000001200347 570257462 /nfs/dbraw/zinc/25/74/62/570257462.db2.gz UGHVTDOCZBOMDR-UHFFFAOYSA-N 0 0 399.450 4.875 50 0 GJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3cc(F)ccc3Cl)n2)cc1 ZINC000049006904 570258035 /nfs/dbraw/zinc/25/80/35/570258035.db2.gz CQZKWCCMKINMQC-UHFFFAOYSA-N 0 0 385.826 4.570 50 0 GJAARN COc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000001208799 570258121 /nfs/dbraw/zinc/25/81/21/570258121.db2.gz CMNINMPGBXEBRN-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN O=C(c1ccc(-c2ccccc2)cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000001212473 570258452 /nfs/dbraw/zinc/25/84/52/570258452.db2.gz ORMZEFLKTWGZBG-PXNSSMCTSA-N 0 0 388.389 4.607 50 0 GJAARN CCCN(CCC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 ZINC000001212684 570258585 /nfs/dbraw/zinc/25/85/85/570258585.db2.gz YVPONGRILAVJPM-UHFFFAOYSA-N 0 0 388.508 4.890 50 0 GJAARN Cc1ccccc1C(=O)N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl ZINC000001230988 570259291 /nfs/dbraw/zinc/25/92/91/570259291.db2.gz HDUFOEGJRYWJSQ-HNNXBMFYSA-N 0 0 375.658 4.672 50 0 GJAARN Cc1noc(-c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)n1 ZINC000049027116 570259600 /nfs/dbraw/zinc/25/96/00/570259600.db2.gz GJHCYKJUGAFNPL-UHFFFAOYSA-N 0 0 383.407 4.921 50 0 GJAARN Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CCCC3 ZINC000001258242 570259626 /nfs/dbraw/zinc/25/96/26/570259626.db2.gz BHSNUKNHZJBFTJ-UHFFFAOYSA-N 0 0 394.525 4.501 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2cccc(Cl)c2C)n1 ZINC000049004561 570262024 /nfs/dbraw/zinc/26/20/24/570262024.db2.gz WQHYCDCVBZZCKI-UHFFFAOYSA-N 0 0 380.879 4.880 50 0 GJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@@H](C)C(C)(C)C)c3)n2)o1 ZINC000023319910 570262325 /nfs/dbraw/zinc/26/23/25/570262325.db2.gz NKCJQTJSYZANJZ-AWEZNQCLSA-N 0 0 395.507 4.519 50 0 GJAARN O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)N1CCc2ccccc21 ZINC000001423118 570262392 /nfs/dbraw/zinc/26/23/92/570262392.db2.gz OPIFHJUGLAMAGY-UHFFFAOYSA-N 0 0 386.476 4.523 50 0 GJAARN COc1cc2sc(C(=O)N(C)Cc3ccccc3)c(Cl)c2cc1OC ZINC000023320070 570262518 /nfs/dbraw/zinc/26/25/18/570262518.db2.gz CEKPRJHXQCOZIK-UHFFFAOYSA-N 0 0 375.877 4.844 50 0 GJAARN Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)no1 ZINC000247818124 570262945 /nfs/dbraw/zinc/26/29/45/570262945.db2.gz FKZJHPIVFIBZSK-YESZJQIVSA-N 0 0 385.533 4.759 50 0 GJAARN CN(NC(=S)Nc1ccc(Cl)cc1)C(=S)Nc1ccc(Cl)cc1 ZINC000001440899 570263073 /nfs/dbraw/zinc/26/30/73/570263073.db2.gz UHYRJOBLCGHRAP-UHFFFAOYSA-N 0 0 385.345 4.524 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCC2 ZINC000001514837 570264050 /nfs/dbraw/zinc/26/40/50/570264050.db2.gz HNPMPWVEGFBTDU-UHFFFAOYSA-N 0 0 384.284 4.973 50 0 GJAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(C(F)(F)F)cc2)N1c1cccc(Cl)c1 ZINC000085988244 570264777 /nfs/dbraw/zinc/26/47/77/570264777.db2.gz XGPKFSGNHSPHDY-DLBZAZTESA-N 0 0 380.797 4.869 50 0 GJAARN C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1Cl ZINC000012850270 570265888 /nfs/dbraw/zinc/26/58/88/570265888.db2.gz IWRYUSJYMGEHIM-JSGCOSHPSA-N 0 0 391.298 4.762 50 0 GJAARN CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)o2)cc1 ZINC000012854737 570267055 /nfs/dbraw/zinc/26/70/55/570267055.db2.gz WVIBYFXOMYVAEY-UHFFFAOYSA-N 0 0 399.450 4.607 50 0 GJAARN CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000012860857 570267913 /nfs/dbraw/zinc/26/79/13/570267913.db2.gz DONGFNJBLZEMCL-NSHDSACASA-N 0 0 377.901 4.978 50 0 GJAARN CC[C@H](C)NC(=O)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000020573241 570268606 /nfs/dbraw/zinc/26/86/06/570268606.db2.gz ZVUSUSZCVNILHG-SUMWQHHRSA-N 0 0 384.867 4.577 50 0 GJAARN O=C(Nc1cccc(Br)c1)c1cccc(OCc2cscn2)c1 ZINC000012864164 570268783 /nfs/dbraw/zinc/26/87/83/570268783.db2.gz KFFQCUNYJMPXFW-UHFFFAOYSA-N 0 0 389.274 4.737 50 0 GJAARN CC(=O)N[C@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(C)C ZINC000012869921 570270159 /nfs/dbraw/zinc/27/01/59/570270159.db2.gz OKKKNXCEXJXRDQ-SFHVURJKSA-N 0 0 393.512 4.576 50 0 GJAARN O=C(Nc1c(Cl)cccc1Cl)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000020605897 570271299 /nfs/dbraw/zinc/27/12/99/570271299.db2.gz UZBIAADTKNTXTG-ZDUSSCGKSA-N 0 0 387.625 4.918 50 0 GJAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC[C@H]3C)c2c1 ZINC000049699182 570271918 /nfs/dbraw/zinc/27/19/18/570271918.db2.gz UGDMQTRZGCCDBK-QGZVFWFLSA-N 0 0 380.513 4.755 50 0 GJAARN Cc1ccc(NC(=O)c2ccn([C@H](C)C(=O)Nc3ccc(C)c(C)c3)n2)cc1C ZINC000020617008 570272974 /nfs/dbraw/zinc/27/29/74/570272974.db2.gz FKMXKVQPPZYGNU-GOSISDBHSA-N 0 0 390.487 4.569 50 0 GJAARN CCCCc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n1 ZINC000012875812 570274723 /nfs/dbraw/zinc/27/47/23/570274723.db2.gz RRFRNMGYXIABGF-UHFFFAOYSA-N 0 0 392.912 4.649 50 0 GJAARN CCCOC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1ccccc1 ZINC000002101403 570274923 /nfs/dbraw/zinc/27/49/23/570274923.db2.gz ZGNBALULRNCGOF-UHFFFAOYSA-N 0 0 380.469 4.938 50 0 GJAARN O=S(=O)(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccccc1Cl ZINC000012878975 570275374 /nfs/dbraw/zinc/27/53/74/570275374.db2.gz MAQCAHZGTIOGRX-QGZVFWFLSA-N 0 0 381.881 4.609 50 0 GJAARN CC(C)(C)N/C=C1/c2ccccc2C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000006563247 570277338 /nfs/dbraw/zinc/27/73/38/570277338.db2.gz LOARIVPGQLCECN-QINSGFPZSA-N 0 0 388.389 4.621 50 0 GJAARN O=C(Nc1cccc(Br)c1)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000002187803 570278226 /nfs/dbraw/zinc/27/82/26/570278226.db2.gz LCBFADDLEIBTDB-OAHLLOKOSA-N 0 0 385.088 4.903 50 0 GJAARN Cc1cc(I)ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000639125 570279042 /nfs/dbraw/zinc/27/90/42/570279042.db2.gz KCKTYSIJLGWWSL-UHFFFAOYSA-N 0 0 386.620 4.897 50 0 GJAARN COc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)c2ccccc2n1 ZINC000000647702 570280246 /nfs/dbraw/zinc/28/02/46/570280246.db2.gz KCLCLFUNFBCLHT-UHFFFAOYSA-N 0 0 386.426 4.980 50 0 GJAARN COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCc1ccccc1 ZINC000000647259 570280287 /nfs/dbraw/zinc/28/02/87/570280287.db2.gz AKBARMWECBHUEZ-KGENOOAVSA-N 0 0 399.446 4.927 50 0 GJAARN Cc1cccc2c(C(=O)N(C)C)cc(-c3cnc(-c4cccc(F)c4)nc3)nc12 ZINC000020783572 570280345 /nfs/dbraw/zinc/28/03/45/570280345.db2.gz ANVYEONSKDGXSC-UHFFFAOYSA-N 0 0 386.430 4.508 50 0 GJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@H](C)CC ZINC000006708368 570281404 /nfs/dbraw/zinc/28/14/04/570281404.db2.gz PXMJDZPUCSEEGG-MRXNPFEDSA-N 0 0 387.568 4.664 50 0 GJAARN Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c(C)c1 ZINC000015880963 570282381 /nfs/dbraw/zinc/28/23/81/570282381.db2.gz YWLSWBGVGMXSQP-UHFFFAOYSA-N 0 0 379.485 4.502 50 0 GJAARN CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000015880560 570282807 /nfs/dbraw/zinc/28/28/07/570282807.db2.gz CYHWIGSPMFZJJW-UHFFFAOYSA-N 0 0 380.473 4.531 50 0 GJAARN Cc1c(Cl)cccc1C(=O)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215035857 570284552 /nfs/dbraw/zinc/28/45/52/570284552.db2.gz UGNFXIDXGHHUKL-UHFFFAOYSA-N 0 0 386.282 4.890 50 0 GJAARN c1c([C@@H]2COc3ccccc3O2)sc2ncnc(NCc3ccccc3)c12 ZINC000000658277 570285595 /nfs/dbraw/zinc/28/55/95/570285595.db2.gz VYVRQQCFEMQDBM-SFHVURJKSA-N 0 0 375.453 4.816 50 0 GJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccccc1Cl ZINC000012894437 570286525 /nfs/dbraw/zinc/28/65/25/570286525.db2.gz CDBZTAVKSBIGQO-UHFFFAOYSA-N 0 0 376.790 4.522 50 0 GJAARN CC[C@@H](C)OC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 ZINC000002420220 570286511 /nfs/dbraw/zinc/28/65/11/570286511.db2.gz IILRNKPJJWZMJG-OAHLLOKOSA-N 0 0 388.471 4.728 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)c(F)c4)c(N)c3cc2C1 ZINC000000661839 570287150 /nfs/dbraw/zinc/28/71/50/570287150.db2.gz LOEHLAZJLCNSQB-JTQLQIEISA-N 0 0 387.455 4.924 50 0 GJAARN Cc1nc2cc(NC(=O)c3ccccc3OCc3c(C)noc3C)ccc2o1 ZINC000021028741 570287703 /nfs/dbraw/zinc/28/77/03/570287703.db2.gz XQIPAYOGYRFITG-UHFFFAOYSA-N 0 0 377.400 4.572 50 0 GJAARN C[C@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000020867950 570287945 /nfs/dbraw/zinc/28/79/45/570287945.db2.gz HMRPYMQWBDIARN-VKJYCEFSSA-N 0 0 382.218 4.716 50 0 GJAARN COc1ccccc1C(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1Cl ZINC000000678740 570290340 /nfs/dbraw/zinc/29/03/40/570290340.db2.gz IDMCDPNUMYPNBN-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN Cc1c([C@H](C)NC(=O)c2cccc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024755279 570290446 /nfs/dbraw/zinc/29/04/46/570290446.db2.gz GTQQOLAFAHUYJL-LBPRGKRZSA-N 0 0 391.368 4.830 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000024771697 570292921 /nfs/dbraw/zinc/29/29/21/570292921.db2.gz UQJNALFCZAWPMO-UHFFFAOYSA-N 0 0 394.176 4.952 50 0 GJAARN COC(=O)c1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000023327260 570294709 /nfs/dbraw/zinc/29/47/09/570294709.db2.gz YUZFPRUSYOUIRE-HSZRJFAPSA-N 0 0 385.463 4.570 50 0 GJAARN O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1c(Cl)cccc1Cl ZINC000012921264 570295111 /nfs/dbraw/zinc/29/51/11/570295111.db2.gz XTWMOIJMOYLKOF-CYBMUJFWSA-N 0 0 392.304 4.648 50 0 GJAARN CC(C)CNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)CC(C)C)cc1 ZINC000034679683 570295206 /nfs/dbraw/zinc/29/52/06/570295206.db2.gz YCVSHHGWHKUJJT-UHFFFAOYSA-N 0 0 398.522 4.720 50 0 GJAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000021791114 570295820 /nfs/dbraw/zinc/29/58/20/570295820.db2.gz VJDBPHQJABRXSK-GOSISDBHSA-N 0 0 396.441 4.830 50 0 GJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(C)c5)c4ncn3n2)cc1 ZINC000021801167 570296755 /nfs/dbraw/zinc/29/67/55/570296755.db2.gz 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ZINC000021937183 570299918 /nfs/dbraw/zinc/29/99/18/570299918.db2.gz KTOBIIFVRWANJZ-UHFFFAOYSA-N 0 0 385.539 4.682 50 0 GJAARN Cc1c(C(=O)NCc2ccc(C)cc2)oc2ccc3c(c12)[C@H](O)CC(C)(C)O3 ZINC000006940578 570300614 /nfs/dbraw/zinc/30/06/14/570300614.db2.gz UAUJXFLNTUATIS-MRXNPFEDSA-N 0 0 379.456 4.574 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)c12 ZINC000021997683 570301202 /nfs/dbraw/zinc/30/12/02/570301202.db2.gz DIOQXTLXADWVML-UHFFFAOYSA-N 0 0 390.877 4.930 50 0 GJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)c2ccccc2)c1 ZINC000006942904 570301400 /nfs/dbraw/zinc/30/14/00/570301400.db2.gz RVHUXLQTOIMVDM-NRFANRHFSA-N 0 0 375.424 4.540 50 0 GJAARN C[C@H]1CCc2[nH]c3ccc(C(=O)OCc4nnc(-c5ccccc5)o4)cc3c2C1 ZINC000032945335 570301961 /nfs/dbraw/zinc/30/19/61/570301961.db2.gz SYKSUYZBYHJYIS-AWEZNQCLSA-N 0 0 387.439 4.700 50 0 GJAARN O=C(COC(=O)c1cccc(N2Cc3ccccc3C2)c1)c1ccc(Cl)cc1 ZINC000000712835 570302071 /nfs/dbraw/zinc/30/20/71/570302071.db2.gz OEJYVHLRHNIZHL-UHFFFAOYSA-N 0 0 391.854 4.900 50 0 GJAARN COc1cccc(COc2ccc(-c3nc(C(=O)N4CCCC4)cs3)cc2)c1 ZINC000034711965 570303441 /nfs/dbraw/zinc/30/34/41/570303441.db2.gz MUCYFZTZPSWILG-UHFFFAOYSA-N 0 0 394.496 4.634 50 0 GJAARN CC(C)NC(=O)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1 ZINC000034712892 570303800 /nfs/dbraw/zinc/30/38/00/570303800.db2.gz ZRIIZCMVUWTCCM-UHFFFAOYSA-N 0 0 388.439 4.806 50 0 GJAARN C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N1CCc2ccccc2C1 ZINC000022079882 570305718 /nfs/dbraw/zinc/30/57/18/570305718.db2.gz IXUVTNLGBIWBKL-HNNXBMFYSA-N 0 0 397.931 4.591 50 0 GJAARN CCCCC(=O)Nc1cccc(NC(=O)COc2cccc3ccccc32)c1 ZINC000002832663 570305711 /nfs/dbraw/zinc/30/57/11/570305711.db2.gz XFVFQHOENHCAIK-UHFFFAOYSA-N 0 0 376.456 4.986 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC ZINC000002840543 570307102 /nfs/dbraw/zinc/30/71/02/570307102.db2.gz RNOZKLMACXTDNA-UHFFFAOYSA-N 0 0 394.544 4.875 50 0 GJAARN CCCCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OCC ZINC000002844612 570307675 /nfs/dbraw/zinc/30/76/75/570307675.db2.gz PHRBYZCRGDPCMI-QGOAFFKASA-N 0 0 383.419 4.748 50 0 GJAARN CC(=O)Nc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000002850482 570308384 /nfs/dbraw/zinc/30/83/84/570308384.db2.gz YQIFMMNPIOQPSL-UHFFFAOYSA-N 0 0 387.650 4.623 50 0 GJAARN CCN(CC)c1ccc(NC(=O)COc2ccc(Br)cc2)c(C)c1 ZINC000002857050 570310113 /nfs/dbraw/zinc/31/01/13/570310113.db2.gz QMDAKSIAQDHDLJ-UHFFFAOYSA-N 0 0 391.309 4.621 50 0 GJAARN COc1cccc(C[C@@H](C)C(=O)Nc2ccc3[nH]c(-c4cscn4)nc3c2)c1 ZINC000209810670 570310298 /nfs/dbraw/zinc/31/02/98/570310298.db2.gz BRHVBJUDTWQELF-CYBMUJFWSA-N 0 0 392.484 4.512 50 0 in-vitro GJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1 ZINC000002858115 570310398 /nfs/dbraw/zinc/31/03/98/570310398.db2.gz QCBNRLSGPDDNMC-UHFFFAOYSA-N 0 0 388.714 4.829 50 0 GJAARN CCOC(=O)c1c(NC(=S)n2cc(C)cn2)sc(C)c1-c1ccccc1 ZINC000002858309 570310416 /nfs/dbraw/zinc/31/04/16/570310416.db2.gz BDTLPLLYUIQDMX-UHFFFAOYSA-N 0 0 385.514 4.650 50 0 GJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000732327 570310683 /nfs/dbraw/zinc/31/06/83/570310683.db2.gz KBXPYWXMFQVPNU-UHFFFAOYSA-N 0 0 377.676 4.694 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000035292723 570311575 /nfs/dbraw/zinc/31/15/75/570311575.db2.gz SJJYNMSRRBDJBZ-LSBZLQRGSA-N 0 0 396.911 4.574 50 0 GJAARN CCC(=O)c1ccccc1OCCOCCOc1ccc(Cl)c2cccnc12 ZINC000002863295 570312002 /nfs/dbraw/zinc/31/20/02/570312002.db2.gz XFAICUGCUGGMCX-UHFFFAOYSA-N 0 0 399.874 4.955 50 0 GJAARN O=C(NCc1cccs1)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000002868133 570313171 /nfs/dbraw/zinc/31/31/71/570313171.db2.gz KSASXRFBFBZYFI-UHFFFAOYSA-N 0 0 379.872 4.942 50 0 GJAARN COc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000012323350 570314225 /nfs/dbraw/zinc/31/42/25/570314225.db2.gz XTZDCVBROLCLRU-UHFFFAOYSA-N 0 0 375.428 4.555 50 0 GJAARN CCOC(=O)c1sc(NC(=O)[C@H](C(C)C)n2cccc2)nc1-c1ccccc1 ZINC000575443203 570314316 /nfs/dbraw/zinc/31/43/16/570314316.db2.gz OEZZLWHKUUTOAB-KRWDZBQOSA-N 0 0 397.500 4.624 50 0 GJAARN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 ZINC000002884686 570316373 /nfs/dbraw/zinc/31/63/73/570316373.db2.gz FFDYUZOJRQLQBG-HNNXBMFYSA-N 0 0 393.512 4.938 50 0 GJAARN COc1c(Cl)cc(C(=O)Oc2ccccc2Br)cc1Cl ZINC000002885797 570316535 /nfs/dbraw/zinc/31/65/35/570316535.db2.gz ZLAPWVHIPZWKGK-UHFFFAOYSA-N 0 0 376.033 4.984 50 0 GJAARN CC(=O)c1ccc(OCC(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cc1 ZINC000021908084 570317319 /nfs/dbraw/zinc/31/73/19/570317319.db2.gz FJQAJJOHOQETHI-UHFFFAOYSA-N 0 0 395.484 4.549 50 0 GJAARN CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000002906486 570317732 /nfs/dbraw/zinc/31/77/32/570317732.db2.gz VNHVAMUJNSCTRL-OAHLLOKOSA-N 0 0 386.879 4.511 50 0 GJAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000002983528 570322819 /nfs/dbraw/zinc/32/28/19/570322819.db2.gz WUEBDIQEXQVSNE-UHFFFAOYSA-N 0 0 382.407 4.621 50 0 GJAARN COc1cc(C=O)ccc1OCCCCOc1ccc(Br)cc1 ZINC000002985870 570323336 /nfs/dbraw/zinc/32/33/36/570323336.db2.gz CFEAICKKZLLJGD-UHFFFAOYSA-N 0 0 379.250 4.508 50 0 GJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)c1 ZINC000002986879 570323364 /nfs/dbraw/zinc/32/33/64/570323364.db2.gz HPQVMRSAKZNXJY-UHFFFAOYSA-N 0 0 399.560 4.839 50 0 GJAARN COc1ccccc1CC1CCN(C(=O)Nc2ccc3oc(C)nc3c2)CC1 ZINC000158240852 570325417 /nfs/dbraw/zinc/32/54/17/570325417.db2.gz WXNJVUMRPORYLD-UHFFFAOYSA-N 0 0 379.460 4.631 50 0 GJAARN Cc1ccsc1C(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000063853575 570326359 /nfs/dbraw/zinc/32/63/59/570326359.db2.gz LQGIHAZPEHVFFC-UHFFFAOYSA-N 0 0 387.455 4.745 50 0 GJAARN Cc1ccc([C@@](O)(CCNc2ncnc3c4ccccc4oc32)C(F)(F)F)o1 ZINC000022751607 570326381 /nfs/dbraw/zinc/32/63/81/570326381.db2.gz NGCRHSXWCOGAEQ-SFHVURJKSA-N 0 0 391.349 4.530 50 0 GJAARN CCCCOC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000003065174 570327544 /nfs/dbraw/zinc/32/75/44/570327544.db2.gz SDEFCLWMIICZGS-UHFFFAOYSA-N 0 0 392.238 4.751 50 0 GJAARN Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c(NC(=O)C2CCC2)c1 ZINC000034736011 570328387 /nfs/dbraw/zinc/32/83/87/570328387.db2.gz XBRQALKDQCMMNK-UHFFFAOYSA-N 0 0 395.478 4.705 50 0 GJAARN O=C(NCC[C@H](CCO)c1ccsc1)C1c2ccccc2Oc2ccccc21 ZINC000575605640 570329102 /nfs/dbraw/zinc/32/91/02/570329102.db2.gz BTBPFAWNADYQRI-MRXNPFEDSA-N 0 0 393.508 4.658 50 0 GJAARN NC(=O)[C@@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000003133330 570329999 /nfs/dbraw/zinc/32/99/99/570329999.db2.gz HREGLHXMYYAVSJ-IBGZPJMESA-N 0 0 384.262 4.842 50 0 GJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000022834643 570330521 /nfs/dbraw/zinc/33/05/21/570330521.db2.gz JLOSDLJLSXTOPF-CALCHBBNSA-N 0 0 376.456 4.566 50 0 GJAARN COC(Cn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1)OC ZINC000003155312 570331105 /nfs/dbraw/zinc/33/11/05/570331105.db2.gz KXCOAUMWHRVPRS-UHFFFAOYSA-N 0 0 389.908 4.510 50 0 GJAARN Nc1c(NC(=O)NC2CCCC2)c(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000034785889 570331854 /nfs/dbraw/zinc/33/18/54/570331854.db2.gz CFRHUSHOTZXWGR-UHFFFAOYSA-N 0 0 395.894 4.839 50 0 GJAARN CCN(C[C@@H]1COc2ccccc2O1)C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000007326052 570332450 /nfs/dbraw/zinc/33/24/50/570332450.db2.gz CDFJYCPDUOGGMW-OAHLLOKOSA-N 0 0 397.327 4.852 50 0 GJAARN COc1ccc([C@H]2CCCN2Cc2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000023873968 570333730 /nfs/dbraw/zinc/33/37/30/570333730.db2.gz LGWBXLLVLHFYRO-QGZVFWFLSA-N 0 0 387.430 4.786 50 0 GJAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1cccc(F)c1 ZINC000034795238 570337467 /nfs/dbraw/zinc/33/74/67/570337467.db2.gz WEEJAIAQOHETFF-UHFFFAOYSA-N 0 0 381.451 4.547 50 0 GJAARN CC(C)CCNC(=O)C1CCN(c2nc3ccccc3n2C2CCCCC2)CC1 ZINC000034906580 570338976 /nfs/dbraw/zinc/33/89/76/570338976.db2.gz YPLUSWHSLRHBHE-UHFFFAOYSA-N 0 0 396.579 4.920 50 0 GJAARN CCOc1cc(C(=O)N(CC)c2ccccc2C)cc(Br)c1OC ZINC000022993832 570339971 /nfs/dbraw/zinc/33/99/71/570339971.db2.gz WNUNUFYKGVCADP-UHFFFAOYSA-N 0 0 392.293 4.832 50 0 GJAARN CC[C@H](CNC(=O)c1ccccc1SCc1noc(C)n1)c1ccccc1 ZINC000023007361 570340153 /nfs/dbraw/zinc/34/01/53/570340153.db2.gz OCEKSOUDCQYJRY-MRXNPFEDSA-N 0 0 381.501 4.594 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000023011016 570340591 /nfs/dbraw/zinc/34/05/91/570340591.db2.gz OQXNOCYKOLQFLH-CXUHLZMHSA-N 0 0 387.439 4.991 50 0 GJAARN COc1cccc(-n2ccnc2SCc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000023050673 570341611 /nfs/dbraw/zinc/34/16/11/570341611.db2.gz SWGXEHHPLRDLEL-UHFFFAOYSA-N 0 0 392.480 4.896 50 0 GJAARN Cc1cc(NC(=O)c2ccc(C)cc2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000011693794 570342528 /nfs/dbraw/zinc/34/25/28/570342528.db2.gz GJHKPWXAZRMOGS-UHFFFAOYSA-N 0 0 380.498 4.926 50 0 GJAARN CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000003355815 570342743 /nfs/dbraw/zinc/34/27/43/570342743.db2.gz MFSTWKBXVWGWMZ-UHFFFAOYSA-N 0 0 387.892 4.631 50 0 GJAARN Cc1nc(NC(=O)c2ccc(C)cc2C)sc1Cc1ccc2c(c1)OCO2 ZINC000023074833 570342742 /nfs/dbraw/zinc/34/27/42/570342742.db2.gz CWCHYSMMEGQGRA-UHFFFAOYSA-N 0 0 380.469 4.640 50 0 GJAARN O=C(Nc1ccc(F)cc1Cl)c1csc(COc2ccc(F)cc2)n1 ZINC000023074372 570342853 /nfs/dbraw/zinc/34/28/53/570342853.db2.gz GZTCHEQECGGQRH-UHFFFAOYSA-N 0 0 380.803 4.906 50 0 GJAARN CCCN(Cc1cc(NC(=O)C(C)(C)C)ccc1N(C)C)C(=O)C(CC)CC ZINC000034921626 570345381 /nfs/dbraw/zinc/34/53/81/570345381.db2.gz KKVYILVBGVYXFL-UHFFFAOYSA-N 0 0 389.584 4.912 50 0 GJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccccc1 ZINC000035375304 570345779 /nfs/dbraw/zinc/34/57/79/570345779.db2.gz PFCWFQZHJOWCLS-UHFFFAOYSA-N 0 0 386.864 4.622 50 0 GJAARN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccccc1Br ZINC000034912636 570346287 /nfs/dbraw/zinc/34/62/87/570346287.db2.gz XCOVQDYVCAWDFN-UHFFFAOYSA-N 0 0 382.217 4.609 50 0 GJAARN Cc1ccc(-n2cccc2/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000034913454 570347127 /nfs/dbraw/zinc/34/71/27/570347127.db2.gz AKGRGWMCGLMXDT-UYRXBGFRSA-N 0 0 377.831 4.536 50 0 GJAARN CNC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC000024922524 570349018 /nfs/dbraw/zinc/34/90/18/570349018.db2.gz SLDJNGZTAHDRSJ-UHFFFAOYSA-N 0 0 399.903 4.692 50 0 GJAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004854467 570349091 /nfs/dbraw/zinc/34/90/91/570349091.db2.gz VHRNAKLJAFFDCM-HXUWFJFHSA-N 0 0 381.863 4.787 50 0 GJAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)c1 ZINC000035398250 570349401 /nfs/dbraw/zinc/34/94/01/570349401.db2.gz NZYVDXXWKXCYGP-FQEVSTJZSA-N 0 0 386.499 4.616 50 0 GJAARN CCC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000003667950 570349889 /nfs/dbraw/zinc/34/98/89/570349889.db2.gz LCLHSRZITJUZBX-UHFFFAOYSA-N 0 0 385.423 4.798 50 0 GJAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccccc1 ZINC000035400308 570350708 /nfs/dbraw/zinc/35/07/08/570350708.db2.gz RSCIIFQZAYRBGN-UHFFFAOYSA-N 0 0 383.426 4.587 50 0 GJAARN CC(C)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 ZINC000004875305 570353165 /nfs/dbraw/zinc/35/31/65/570353165.db2.gz JBLSLYQWQUBLKU-UHFFFAOYSA-N 0 0 379.528 4.984 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)cc1OC ZINC000004018830 570354513 /nfs/dbraw/zinc/35/45/13/570354513.db2.gz TWCJXMRQOGDUSH-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN CCc1cc2c(cc1OC)oc(C)c(-c1ccc3c(c1)OCCCCO3)c2=O ZINC000004026758 570354976 /nfs/dbraw/zinc/35/49/76/570354976.db2.gz HWFYKYBNQFUFAI-UHFFFAOYSA-N 0 0 380.440 4.891 50 0 biogenic GJAARN CC1=Nc2nc3ccccc3n2[C@H](c2ccco2)C1C(=O)OCc1ccccc1 ZINC000004884674 570354947 /nfs/dbraw/zinc/35/49/47/570354947.db2.gz FZCFHIZHHOEBJV-OAQYLSRUSA-N 0 0 385.423 4.662 50 0 GJAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3F)n2)c1 ZINC000035319200 570355238 /nfs/dbraw/zinc/35/52/38/570355238.db2.gz GYVRCNVCKMRNLM-QGZVFWFLSA-N 0 0 384.386 4.692 50 0 GJAARN Cc1nn(CCNC(=O)CCSc2ccccc2)c(C)c1-c1ccsc1 ZINC000575616152 570356569 /nfs/dbraw/zinc/35/65/69/570356569.db2.gz WYTRTROMFIEHQS-UHFFFAOYSA-N 0 0 385.558 4.527 50 0 GJAARN C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(F)cc1F ZINC000008095071 570356853 /nfs/dbraw/zinc/35/68/53/570356853.db2.gz DHLNLOCIVPTRLT-GFCCVEGCSA-N 0 0 376.403 4.803 50 0 GJAARN Cc1cc2oc(-c3cc4ccccc4o3)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000604406338 570358062 /nfs/dbraw/zinc/35/80/62/570358062.db2.gz MMCUVWKDMJWYCJ-UHFFFAOYSA-N 0 0 390.347 4.742 50 0 biogenic GJAARN Cc1ccc(Nc2nc(C(=O)NCCc3cccs3)nc3ccccc32)cc1 ZINC000035429833 570358025 /nfs/dbraw/zinc/35/80/25/570358025.db2.gz SFPARJQOGVGSAJ-UHFFFAOYSA-N 0 0 388.496 4.716 50 0 GJAARN Cc1ccc(Nc2nc(C(=O)N[C@H](C)Cc3ccco3)nc3ccccc32)cc1 ZINC000035429806 570358029 /nfs/dbraw/zinc/35/80/29/570358029.db2.gz PZKPEPUUHPTOMK-MRXNPFEDSA-N 0 0 386.455 4.636 50 0 GJAARN O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1cccc(Cl)c1Cl ZINC000575617003 570359910 /nfs/dbraw/zinc/35/99/10/570359910.db2.gz PJLNTNWALBPYTC-UHFFFAOYSA-N 0 0 390.217 4.599 50 0 GJAARN Cn1cc([C@H](CC(=O)NCc2ccncc2)c2ccc(F)cc2)c2ccccc21 ZINC000035371539 570361254 /nfs/dbraw/zinc/36/12/54/570361254.db2.gz PULXOPUFFMIIFK-OAQYLSRUSA-N 0 0 387.458 4.551 50 0 GJAARN CC(C)Sc1ccc(CC(=O)N2CC[C@@H](n3cnc4ccccc43)C2)cc1 ZINC000575617687 570361759 /nfs/dbraw/zinc/36/17/59/570361759.db2.gz QJQQZJOFTVTEKJ-GOSISDBHSA-N 0 0 379.529 4.553 50 0 GJAARN COc1ccccc1CCNC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000023443186 570362917 /nfs/dbraw/zinc/36/29/17/570362917.db2.gz UONITJUIEDIIHF-UHFFFAOYSA-N 0 0 391.536 4.877 50 0 GJAARN CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ccsc3)CC2)cc1 ZINC000575618749 570364560 /nfs/dbraw/zinc/36/45/60/570364560.db2.gz IUMVPOQLLXIZRE-UHFFFAOYSA-N 0 0 375.559 4.861 50 0 GJAARN Fc1cc(Br)ccc1Nc1ncnc2c(-c3ccccc3)noc21 ZINC000035478664 570366541 /nfs/dbraw/zinc/36/65/41/570366541.db2.gz FWMZXBYERIHXKD-UHFFFAOYSA-N 0 0 385.196 4.930 50 0 GJAARN FC(F)(F)c1cnc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c(Cl)c1 ZINC000004325029 570368352 /nfs/dbraw/zinc/36/83/52/570368352.db2.gz YYDCVRZBGZJQHB-UHFFFAOYSA-N 0 0 394.828 4.557 50 0 GJAARN COc1ccc2ccccc2c1CCC(=O)NCc1cncc(-c2ccoc2)c1 ZINC000575619974 570368777 /nfs/dbraw/zinc/36/87/77/570368777.db2.gz IGTIHMXNSNAPGU-UHFFFAOYSA-N 0 0 386.451 4.752 50 0 GJAARN COc1ccc(Cn2c(C(=O)NCCc3ccccc3)cc3ccsc32)cc1 ZINC000004925924 570370997 /nfs/dbraw/zinc/37/09/97/570370997.db2.gz SOHHDVYQYBKEJQ-UHFFFAOYSA-N 0 0 390.508 4.732 50 0 GJAARN Cc1ccc(Cn2c3ccccc3c3ncn(Cc4ccc(F)cc4)c(=O)c32)cc1 ZINC000035400225 570374679 /nfs/dbraw/zinc/37/46/79/570374679.db2.gz HLDLIUQPKPSOBV-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN CCn1c2ccccc2c2sc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2c1=O ZINC000004939018 570375407 /nfs/dbraw/zinc/37/54/07/570375407.db2.gz XMVVJKRCVANHAN-JKIFEVAISA-N 0 0 382.529 4.791 50 0 GJAARN Cc1c(O)ccc2c(CN(Cc3ccco3)Cc3ccccc3)cc(=O)oc12 ZINC000023993009 570376541 /nfs/dbraw/zinc/37/65/41/570376541.db2.gz WWADQISGPLQCFT-UHFFFAOYSA-N 0 0 375.424 4.602 50 0 GJAARN CC(=O)n1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)c2ccccc21 ZINC000000826620 570376854 /nfs/dbraw/zinc/37/68/54/570376854.db2.gz VTBOAOVOLIMNGP-BKUYFWCQSA-N 0 0 380.403 4.799 50 0 GJAARN O=C(CCCOc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024033257 570377603 /nfs/dbraw/zinc/37/76/03/570377603.db2.gz LQRLJQFNVDUYIO-UHFFFAOYSA-N 0 0 380.469 4.798 50 0 GJAARN Cc1ccc(C)c(-n2nnnc2SCc2ncc(-c3cccc(Cl)c3)o2)c1 ZINC000024047704 570377838 /nfs/dbraw/zinc/37/78/38/570377838.db2.gz OAMKBJDVJFUNIK-UHFFFAOYSA-N 0 0 397.891 4.880 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000004958146 570381533 /nfs/dbraw/zinc/38/15/33/570381533.db2.gz VSAODDWKVHIZIO-UHFFFAOYSA-N 0 0 380.831 4.748 50 0 GJAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1nsc2ccccc21 ZINC000035510356 570384318 /nfs/dbraw/zinc/38/43/18/570384318.db2.gz ONHZXXCXSRKMCF-UHFFFAOYSA-N 0 0 379.485 4.611 50 0 GJAARN CCOc1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc(OCC)c1OCC ZINC000004573172 570385322 /nfs/dbraw/zinc/38/53/22/570385322.db2.gz BHFUGPWHCXEANN-INIZCTEOSA-N 0 0 385.504 4.936 50 0 GJAARN Cc1cc(C)c(-c2csc(NC(=O)CSc3cc(C)nc(C)n3)n2)c(C)c1 ZINC000024568857 570386049 /nfs/dbraw/zinc/38/60/49/570386049.db2.gz QRSCNWHFSBNEQQ-UHFFFAOYSA-N 0 0 398.557 4.873 50 0 GJAARN O=C(Oc1ccc2cnccc2c1)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000035510654 570387897 /nfs/dbraw/zinc/38/78/97/570387897.db2.gz MQCGBQYHSHFPOP-UHFFFAOYSA-N 0 0 392.414 4.758 50 0 GJAARN Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(Cl)c1 ZINC000004615975 570388066 /nfs/dbraw/zinc/38/80/66/570388066.db2.gz FZRJXSLHUXQIDJ-UHFFFAOYSA-N 0 0 376.847 4.943 50 0 GJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000035511779 570388597 /nfs/dbraw/zinc/38/85/97/570388597.db2.gz ZIRBMWYSNAFDEZ-QFIPXVFZSA-N 0 0 398.510 4.551 50 0 GJAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccccc1F ZINC000004649729 570389400 /nfs/dbraw/zinc/38/94/00/570389400.db2.gz JYZONXSNCWEGSD-UHFFFAOYSA-N 0 0 391.471 4.955 50 0 GJAARN COc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 ZINC000004655805 570389768 /nfs/dbraw/zinc/38/97/68/570389768.db2.gz WCJXHZGTXOLABI-LICLKQGHSA-N 0 0 388.876 4.763 50 0 GJAARN CCOc1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)cc1 ZINC000035535412 570390457 /nfs/dbraw/zinc/39/04/57/570390457.db2.gz ZZQFAXIVMNNDRA-UHFFFAOYSA-N 0 0 385.471 4.812 50 0 GJAARN O=C(N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004661322 570390589 /nfs/dbraw/zinc/39/05/89/570390589.db2.gz PDIHCRDBIWOPNC-UHFFFAOYSA-N 0 0 393.358 4.858 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c(C)c1 ZINC000004681852 570392489 /nfs/dbraw/zinc/39/24/89/570392489.db2.gz HLCNZUWWTRJRGI-UHFFFAOYSA-N 0 0 396.556 4.728 50 0 GJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000035528079 570393142 /nfs/dbraw/zinc/39/31/42/570393142.db2.gz KIUKGLPAOGDDGK-UHFFFAOYSA-N 0 0 375.472 4.703 50 0 GJAARN CC[C@]1(C)Cc2ccccc2-c2nc(SC)n(Cc3ccccc3)c(=O)c21 ZINC000004694738 570393907 /nfs/dbraw/zinc/39/39/07/570393907.db2.gz IWPGJNPUOSYCGZ-HSZRJFAPSA-N 0 0 376.525 4.904 50 0 GJAARN COc1ccc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)c(OC)c1 ZINC000035554995 570395561 /nfs/dbraw/zinc/39/55/61/570395561.db2.gz JWMMVFFCEFRNLE-UHFFFAOYSA-N 0 0 399.472 4.644 50 0 GJAARN C[C@@H](OCCCNC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000024841432 570396100 /nfs/dbraw/zinc/39/61/00/570396100.db2.gz SNFPGDKRWVIRPD-OAHLLOKOSA-N 0 0 386.542 4.698 50 0 GJAARN O=C1c2cccc3cccc(c23)N1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000024843823 570396373 /nfs/dbraw/zinc/39/63/73/570396373.db2.gz QUYCQAHBJCVULN-AWEZNQCLSA-N 0 0 388.250 4.547 50 0 GJAARN CC(C)Cn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000005016400 570396637 /nfs/dbraw/zinc/39/66/37/570396637.db2.gz BPNBXYZEUILOCH-UHFFFAOYSA-N 0 0 391.496 4.509 50 0 GJAARN CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1 ZINC000004727994 570398508 /nfs/dbraw/zinc/39/85/08/570398508.db2.gz CCUNGWISHQWZDE-UHFFFAOYSA-N 0 0 381.457 4.939 50 0 GJAARN C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1cccc(F)c1 ZINC000024954056 570399581 /nfs/dbraw/zinc/39/95/81/570399581.db2.gz DIPAUWSFILCATB-AWEZNQCLSA-N 0 0 376.431 4.818 50 0 GJAARN CCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000005027487 570399830 /nfs/dbraw/zinc/39/98/30/570399830.db2.gz SCVAZLZATYVKAY-UHFFFAOYSA-N 0 0 376.909 4.672 50 0 GJAARN CC[C@@H](NC(=O)c1cc(Br)c(O)c(OC)c1)c1ccc(Cl)cc1 ZINC000024964782 570399989 /nfs/dbraw/zinc/39/99/89/570399989.db2.gz OHMNOEAVSWFTDZ-CQSZACIVSA-N 0 0 398.684 4.698 50 0 GJAARN Cc1ccc(CNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000005022674 570400267 /nfs/dbraw/zinc/40/02/67/570400267.db2.gz FLPGDRXWIGHKNY-UHFFFAOYSA-N 0 0 379.460 4.679 50 0 GJAARN Cc1cc(C)n(CCN(C(=O)C2CC2)c2nc3c(cc(Cl)cc3C)s2)n1 ZINC000035597630 570400248 /nfs/dbraw/zinc/40/02/48/570400248.db2.gz WNGIVPDMBOXNCN-UHFFFAOYSA-N 0 0 388.924 4.515 50 0 GJAARN CCCSCCCNC(=O)c1sc2ncccc2c1-n1c(C)ccc1C ZINC000033059993 570400616 /nfs/dbraw/zinc/40/06/16/570400616.db2.gz KPTJYVZIIQZRCD-UHFFFAOYSA-N 0 0 387.574 4.967 50 0 GJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(OC(F)(F)F)cc2)n1-c1ccccc1 ZINC000033072305 570401165 /nfs/dbraw/zinc/40/11/65/570401165.db2.gz SCTSHBYJISDORL-GOSISDBHSA-N 0 0 385.345 4.751 50 0 GJAARN CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000004744600 570401431 /nfs/dbraw/zinc/40/14/31/570401431.db2.gz GVBIPULDLSFDNI-MRXNPFEDSA-N 0 0 385.291 4.745 50 0 GJAARN c1ccc(-c2ccc(Oc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 ZINC000024985448 570401731 /nfs/dbraw/zinc/40/17/31/570401731.db2.gz OCAHZKCGKVDOTF-UHFFFAOYSA-N 0 0 387.487 4.531 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2ccc(F)cc2)no1 ZINC000033250327 570402967 /nfs/dbraw/zinc/40/29/67/570402967.db2.gz MPVBYYMQAAQWFL-UHFFFAOYSA-N 0 0 391.855 4.709 50 0 GJAARN COC(=O)c1sc2cc(NC(=S)N3CCCCCC3)ccc2c1Cl ZINC000006397323 570404498 /nfs/dbraw/zinc/40/44/98/570404498.db2.gz QILGWKUFXUMUMH-UHFFFAOYSA-N 0 0 382.938 4.914 50 0 GJAARN COC(=O)c1sccc1NC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005049952 570405589 /nfs/dbraw/zinc/40/55/89/570405589.db2.gz LHZVPVZNBHVSRJ-UHFFFAOYSA-N 0 0 385.466 4.716 50 0 GJAARN O=C(CCOc1ccccc1-c1ccccc1)NCc1cnn(-c2ccccc2)c1 ZINC000025086100 570405862 /nfs/dbraw/zinc/40/58/62/570405862.db2.gz JJUFYFZWMBLIQX-UHFFFAOYSA-N 0 0 397.478 4.625 50 0 GJAARN COc1ccc(NC(=O)Cn2c(-c3ccccc3)cn3c4ccccc4nc32)cc1 ZINC000033330864 570406709 /nfs/dbraw/zinc/40/67/09/570406709.db2.gz NLRPDMDLPFLLFU-UHFFFAOYSA-N 0 0 396.450 4.603 50 0 GJAARN O=C(CCc1ccccc1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000004809978 570407056 /nfs/dbraw/zinc/40/70/56/570407056.db2.gz UIJRXDOBDBUABV-UHFFFAOYSA-N 0 0 382.463 4.694 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000004828519 570409121 /nfs/dbraw/zinc/40/91/21/570409121.db2.gz DRJGQJLRFQWEKT-IVMMDQJWSA-N 0 0 396.413 4.541 50 0 GJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N1CCC[C@H]1c1ccncc1 ZINC000025247657 570409317 /nfs/dbraw/zinc/40/93/17/570409317.db2.gz AHTNDTJFICYIFC-IBGZPJMESA-N 0 0 393.512 4.711 50 0 GJAARN O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1cc(F)cc(F)c1 ZINC000040067436 570409347 /nfs/dbraw/zinc/40/93/47/570409347.db2.gz SIYZYSISQQLRCF-UHFFFAOYSA-N 0 0 395.818 4.540 50 0 GJAARN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000004842170 570410895 /nfs/dbraw/zinc/41/08/95/570410895.db2.gz MRCJSILMWMDVFB-CQSZACIVSA-N 0 0 385.464 4.552 50 0 GJAARN CCOc1ccc(CCNC(=O)c2csc3c2CCCCC3)cc1OCC ZINC000005070422 570411150 /nfs/dbraw/zinc/41/11/50/570411150.db2.gz OTWXHRYHJOWVLW-UHFFFAOYSA-N 0 0 387.545 4.787 50 0 GJAARN Cc1noc(C)c1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(C)c(F)c1 ZINC000035671760 570411734 /nfs/dbraw/zinc/41/17/34/570411734.db2.gz JDRZUXWHLHOCGQ-UHFFFAOYSA-N 0 0 392.386 4.968 50 0 GJAARN Cc1oc2ncn(C3CCCC3)c(=O)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000035672139 570411853 /nfs/dbraw/zinc/41/18/53/570411853.db2.gz HNJNXDGVNXYHAM-UHFFFAOYSA-N 0 0 385.851 4.627 50 0 GJAARN Cc1ccc(-c2noc(CCCNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000035673434 570412051 /nfs/dbraw/zinc/41/20/51/570412051.db2.gz ZXAJHJQGSXELMG-UHFFFAOYSA-N 0 0 377.488 4.705 50 0 GJAARN COc1ccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)cc1 ZINC000035672925 570412192 /nfs/dbraw/zinc/41/21/92/570412192.db2.gz JHPJYFSMMSLNMP-UHFFFAOYSA-N 0 0 397.500 4.533 50 0 GJAARN O=c1nc(CN2CCC[C@@H]2c2ccc(F)cc2)[nH]c2scc(-c3ccco3)c21 ZINC000025444606 570413873 /nfs/dbraw/zinc/41/38/73/570413873.db2.gz POHZTDSZYSXKAK-MRXNPFEDSA-N 0 0 395.459 4.721 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2C2CCCC2)c1 ZINC000005090016 570414844 /nfs/dbraw/zinc/41/48/44/570414844.db2.gz YNRLZRWEPZINDT-MRXNPFEDSA-N 0 0 385.533 4.937 50 0 GJAARN CCC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)cc1 ZINC000005090091 570414860 /nfs/dbraw/zinc/41/48/60/570414860.db2.gz XGFGPPGBAGZSDW-UHFFFAOYSA-N 0 0 385.533 4.939 50 0 GJAARN Cc1ccccc1Cc1c(C)nc(SCc2ccc(F)c(F)c2)n(C)c1=O ZINC000005096821 570417187 /nfs/dbraw/zinc/41/71/87/570417187.db2.gz WAWHWFQWKLXINU-UHFFFAOYSA-N 0 0 386.467 4.558 50 0 GJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000025712360 570418523 /nfs/dbraw/zinc/41/85/23/570418523.db2.gz OLAFRNLROZEEQY-OAQYLSRUSA-N 0 0 396.922 4.681 50 0 GJAARN O=S(=O)(N=S(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004955862 570419876 /nfs/dbraw/zinc/41/98/76/570419876.db2.gz CFNLIPCEFDTPPQ-UHFFFAOYSA-N 0 0 391.901 4.615 50 0 GJAARN COCc1cccc(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)c1 ZINC000025823679 570420296 /nfs/dbraw/zinc/42/02/96/570420296.db2.gz JIAHRTZRVNOYOT-UHFFFAOYSA-N 0 0 384.526 4.727 50 0 GJAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000524730331 570420591 /nfs/dbraw/zinc/42/05/91/570420591.db2.gz FMUPUGCMCNCKGZ-NRFANRHFSA-N 0 0 375.497 4.595 50 0 biogenic GJAARN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000122326780 570421072 /nfs/dbraw/zinc/42/10/72/570421072.db2.gz UDIOIHXCIPIDDH-HNAYVOBHSA-N 0 0 394.496 4.613 50 0 GJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nc(C2CC2)cs1 ZINC000026051394 570421877 /nfs/dbraw/zinc/42/18/77/570421877.db2.gz LOQNVXBJQQBWGH-UHFFFAOYSA-N 0 0 375.906 4.979 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000061521957 570422064 /nfs/dbraw/zinc/42/20/64/570422064.db2.gz DJJHDOLYPNELBO-CYBMUJFWSA-N 0 0 385.411 4.626 50 0 GJAARN COP(=O)(OC)[C@H](Nc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000005128401 570422402 /nfs/dbraw/zinc/42/24/02/570422402.db2.gz UFQKPIRQHDRHMM-HNNXBMFYSA-N 0 0 386.182 4.751 50 0 GJAARN C[C@H]1CCC[C@H](C)N1c1nnc(NC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000005135356 570424226 /nfs/dbraw/zinc/42/42/26/570424226.db2.gz SDZBFBFLGJSANK-QWRGUYRKSA-N 0 0 399.442 4.968 50 0 GJAARN Cc1ccc(OCCSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)cc1 ZINC000001792233 570425039 /nfs/dbraw/zinc/42/50/39/570425039.db2.gz WWOQMMQWVPSKPN-CYBMUJFWSA-N 0 0 386.542 4.589 50 0 GJAARN COCc1ccccc1CNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000026389519 570425472 /nfs/dbraw/zinc/42/54/72/570425472.db2.gz NGTKNWNXZLIUGJ-HXUWFJFHSA-N 0 0 384.476 4.622 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)NCCn1c2ccccc2nc1C(F)(F)F ZINC000032951161 570425667 /nfs/dbraw/zinc/42/56/67/570425667.db2.gz LSNZOXAYDWIIQM-UHFFFAOYSA-N 0 0 396.800 4.839 50 0 GJAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146482 570426848 /nfs/dbraw/zinc/42/68/48/570426848.db2.gz YUACMJQHWPGMQR-KRWDZBQOSA-N 0 0 376.500 4.745 50 0 GJAARN COc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccc(Cl)cn32)cc1 ZINC000026687886 570427776 /nfs/dbraw/zinc/42/77/76/570427776.db2.gz HJUASKNKEUNBMS-UHFFFAOYSA-N 0 0 383.860 4.977 50 0 GJAARN O=C(N=c1[nH]c2ccc3ccccc3c2s1)c1ccc(Br)cc1 ZINC000005124356 570430080 /nfs/dbraw/zinc/43/00/80/570430080.db2.gz JPKZHMVRSDJVDK-UHFFFAOYSA-N 0 0 383.270 4.886 50 0 GJAARN C[C@@H](Sc1ncnc2ccsc21)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000026954635 570430211 /nfs/dbraw/zinc/43/02/11/570430211.db2.gz IBSBCLXNEQPFAU-LLVKDONJSA-N 0 0 398.538 4.934 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)C[C@H](C)NC(=O)c3ccccc3)n2)cc1C ZINC000011808895 570436143 /nfs/dbraw/zinc/43/61/43/570436143.db2.gz ACSTXXFZFPIYLF-INIZCTEOSA-N 0 0 393.512 4.574 50 0 GJAARN C[C@H](NC(=O)c1csc(-c2ncccn2)n1)c1cc(F)c(Cl)cc1Cl ZINC000054059850 570438070 /nfs/dbraw/zinc/43/80/70/570438070.db2.gz ZMXOBOFGUAYPGE-QMMMGPOBSA-N 0 0 397.262 4.537 50 0 GJAARN CCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027662186 570438408 /nfs/dbraw/zinc/43/84/08/570438408.db2.gz BSWSKCMQIXIINZ-FQEVSTJZSA-N 0 0 386.923 4.696 50 0 GJAARN Cc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@H](c3ccccc3)C2)cc1C ZINC000248080194 570438607 /nfs/dbraw/zinc/43/86/07/570438607.db2.gz IPHKBOSCQMRMDI-YKSBVNFPSA-N 0 0 389.543 4.856 50 0 GJAARN CC(C)COc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000027662807 570438636 /nfs/dbraw/zinc/43/86/36/570438636.db2.gz LULLOQCPUGEYSE-UHFFFAOYSA-N 0 0 395.459 4.811 50 0 GJAARN CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000027663878 570439313 /nfs/dbraw/zinc/43/93/13/570439313.db2.gz IJSANSDZADJBNS-HXUWFJFHSA-N 0 0 386.923 4.696 50 0 GJAARN CCSc1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000027743745 570441292 /nfs/dbraw/zinc/44/12/92/570441292.db2.gz IFJGJAMSIZENPL-UHFFFAOYSA-N 0 0 386.702 4.565 50 0 GJAARN CCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027747334 570441751 /nfs/dbraw/zinc/44/17/51/570441751.db2.gz PNLHGVFZISTKHT-UHFFFAOYSA-N 0 0 387.233 4.755 50 0 GJAARN CN1N=C2/C(=C/c3ccccc3Cl)CN(C)C[C@@H]2[C@H]1c1ccccc1Cl ZINC000252452426 570442313 /nfs/dbraw/zinc/44/23/13/570442313.db2.gz HXYNGQNRDBZUMF-DQKPQGHDSA-N 0 0 386.326 4.981 50 0 GJAARN CCCCc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001909281 570442848 /nfs/dbraw/zinc/44/28/48/570442848.db2.gz VMDWVMJRGZYARS-NRFANRHFSA-N 0 0 392.499 4.679 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000027838996 570444207 /nfs/dbraw/zinc/44/42/07/570444207.db2.gz BKGXRKSVNNYPQC-CVEARBPZSA-N 0 0 396.409 4.721 50 0 GJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@H](c2ccccc2)C1 ZINC000027909497 570445133 /nfs/dbraw/zinc/44/51/33/570445133.db2.gz NVJQSDQGVAKMSQ-IBGZPJMESA-N 0 0 398.915 4.606 50 0 GJAARN Cc1cn(-c2ccccc2Cl)nc1C(=O)N(c1ccccn1)C1CCCC1 ZINC000124962190 570445255 /nfs/dbraw/zinc/44/52/55/570445255.db2.gz KFMOTYXOVAMBNC-UHFFFAOYSA-N 0 0 380.879 4.819 50 0 GJAARN CCn1c(SCC2(COc3cccc(COC)c3)CCC2)nnc1C1CC1 ZINC000089302523 570445809 /nfs/dbraw/zinc/44/58/09/570445809.db2.gz SZOVCFZGFLQBRI-UHFFFAOYSA-N 0 0 387.549 4.663 50 0 GJAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3cccs3)oc2c1 ZINC000027989397 570447790 /nfs/dbraw/zinc/44/77/90/570447790.db2.gz MKVZNOMXXPDFCS-UHFFFAOYSA-N 0 0 379.437 4.599 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc(OCC)c1OCC ZINC000005592977 570448192 /nfs/dbraw/zinc/44/81/92/570448192.db2.gz FCLFCUWLBVOMGI-UHFFFAOYSA-N 0 0 381.831 4.928 50 0 GJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)n1c2ccccc2c2c1CCCC2 ZINC000005647836 570449901 /nfs/dbraw/zinc/44/99/01/570449901.db2.gz HWRTWEQYWFNLRM-UHFFFAOYSA-N 0 0 388.496 4.738 50 0 GJAARN Cc1noc(C2CCN(C(=O)c3ccccc3Nc3cccc(C)c3C)CC2)n1 ZINC000054135619 570449994 /nfs/dbraw/zinc/44/99/94/570449994.db2.gz KXPRPWSWMBLAOO-UHFFFAOYSA-N 0 0 390.487 4.758 50 0 GJAARN CCn1ccc(C(=O)Nc2sc(C(C)C)cc2C(=O)Nc2ccccc2)n1 ZINC000006490341 570450658 /nfs/dbraw/zinc/45/06/58/570450658.db2.gz PYHCOOHFIFCEGJ-UHFFFAOYSA-N 0 0 382.489 4.593 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1cccc(C)c1 ZINC000001986294 570451981 /nfs/dbraw/zinc/45/19/81/570451981.db2.gz ZAHACVIKDINXOI-UHFFFAOYSA-N 0 0 395.480 4.918 50 0 GJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1(c3ccccc3)CCCC1)CC2 ZINC000000820017 570452383 /nfs/dbraw/zinc/45/23/83/570452383.db2.gz BEFNZMLFQVKDCS-KRWDZBQOSA-N 0 0 379.500 4.662 50 0 biogenic GJAARN CCOC(=O)c1cnc(N=NCc2c3ccccc3cc3ccccc32)nc1C ZINC000252611063 570454027 /nfs/dbraw/zinc/45/40/27/570454027.db2.gz IGVAQSGLLKDQHC-UHFFFAOYSA-N 0 0 384.439 4.714 50 0 GJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cccc(OC(C)=O)c1C ZINC000022656083 570454537 /nfs/dbraw/zinc/45/45/37/570454537.db2.gz SVZNYOJMWKNWRR-UHFFFAOYSA-N 0 0 389.473 4.534 50 0 GJAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)c2ccccn2)c1C ZINC000028292967 570457172 /nfs/dbraw/zinc/45/71/72/570457172.db2.gz ASFPBFMPTHBNJH-SFHVURJKSA-N 0 0 378.447 4.838 50 0 GJAARN Cc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)Nc2ccccc2)o1 ZINC000005815073 570457815 /nfs/dbraw/zinc/45/78/15/570457815.db2.gz ADCMRZMUWWNMFO-CPNJWEJPSA-N 0 0 380.831 4.651 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1cccnc1 ZINC000028343675 570458528 /nfs/dbraw/zinc/45/85/28/570458528.db2.gz MECXCGDWISKJCP-UHFFFAOYSA-N 0 0 393.899 4.786 50 0 GJAARN Cc1nc(-c2ccccc2)nc2c1c(N)nn2Cc1ccc(Cl)cc1Cl ZINC000028444109 570460191 /nfs/dbraw/zinc/46/01/91/570460191.db2.gz BCUAVIIIXCFGKP-UHFFFAOYSA-N 0 0 384.270 4.739 50 0 GJAARN O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccco1)Cc1cccc(F)c1 ZINC000028580840 570461618 /nfs/dbraw/zinc/46/16/18/570461618.db2.gz JFBUPNSEJLOYHQ-LJQANCHMSA-N 0 0 389.854 4.514 50 0 GJAARN COc1ccc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)c(OC)c1 ZINC000064438596 570462743 /nfs/dbraw/zinc/46/27/43/570462743.db2.gz VGWSESYCFYTXBG-UHFFFAOYSA-N 0 0 395.459 4.573 50 0 GJAARN N=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)S1 ZINC000006097419 570466219 /nfs/dbraw/zinc/46/62/19/570466219.db2.gz GMONOIDTAJJISS-VIZOYTHASA-N 0 0 379.268 4.711 50 0 GJAARN Cc1cccc(-n2nnnc2SCc2coc(-c3cccc(Cl)c3)n2)c1 ZINC000028965053 570466872 /nfs/dbraw/zinc/46/68/72/570466872.db2.gz UHQPXBXCQSIIGT-UHFFFAOYSA-N 0 0 383.864 4.571 50 0 GJAARN CCc1nc2c3ccccc3oc2c(NCCc2ccc(OC)c(OC)c2)n1 ZINC000005163122 570467858 /nfs/dbraw/zinc/46/78/58/570467858.db2.gz PBWXOIABVUQBLE-UHFFFAOYSA-N 0 0 377.444 4.610 50 0 GJAARN C[C@@H](Sc1nc(-c2cccs2)nc2ccccc21)C(=O)NC1CCCC1 ZINC000005288017 570468077 /nfs/dbraw/zinc/46/80/77/570468077.db2.gz SHLYGCIVLZYRHS-CYBMUJFWSA-N 0 0 383.542 4.898 50 0 GJAARN CC(=O)N(C)c1ccccc1NCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000133914556 570468716 /nfs/dbraw/zinc/46/87/16/570468716.db2.gz QQYBMZUJFVKIJH-UHFFFAOYSA-N 0 0 391.258 4.638 50 0 GJAARN O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1cc(Cl)ccc1Cl ZINC000006140600 570469141 /nfs/dbraw/zinc/46/91/41/570469141.db2.gz FBBGTYUCOFKHSB-UHFFFAOYSA-N 0 0 388.659 4.963 50 0 GJAARN O=C(CCSc1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029267719 570471204 /nfs/dbraw/zinc/47/12/04/570471204.db2.gz CMGQHBJXVQNYSK-UHFFFAOYSA-N 0 0 383.492 4.590 50 0 GJAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 ZINC000013483822 570472295 /nfs/dbraw/zinc/47/22/95/570472295.db2.gz MTCRQOBOCCGYAD-KRWDZBQOSA-N 0 0 393.487 4.640 50 0 GJAARN O=C(CCSc1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000029633299 570477213 /nfs/dbraw/zinc/47/72/13/570477213.db2.gz AVZKSIPRBGJAOO-UHFFFAOYSA-N 0 0 381.526 4.619 50 0 GJAARN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(Cl)cn1 ZINC000252549684 570477458 /nfs/dbraw/zinc/47/74/58/570477458.db2.gz RRMPBFKPCBHFOX-OAHLLOKOSA-N 0 0 381.307 4.527 50 0 GJAARN COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2c1 ZINC000029701415 570478181 /nfs/dbraw/zinc/47/81/81/570478181.db2.gz JHQMFUDEZIKPRY-UHFFFAOYSA-N 0 0 376.243 4.693 50 0 GJAARN Nc1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 ZINC000006392446 570478641 /nfs/dbraw/zinc/47/86/41/570478641.db2.gz GMCCAQCUFDMXGL-SFYZADRCSA-N 0 0 385.889 4.785 50 0 GJAARN O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072288653 570479028 /nfs/dbraw/zinc/47/90/28/570479028.db2.gz RMZAGEMCSYZIJY-LJQANCHMSA-N 0 0 399.853 4.612 50 0 GJAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(O)cc2)c2ccccc2)cc1Cl ZINC000006566600 570479569 /nfs/dbraw/zinc/47/95/69/570479569.db2.gz ZQKIBSIMHCJQOG-HXUWFJFHSA-N 0 0 395.842 4.891 50 0 aggregator GJAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)C1CCCC1 ZINC000035927289 570480048 /nfs/dbraw/zinc/48/00/48/570480048.db2.gz IAFMPCZOIFWQGP-NRFANRHFSA-N 0 0 384.476 4.733 50 0 GJAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1)C1CCCC1 ZINC000035927290 570480076 /nfs/dbraw/zinc/48/00/76/570480076.db2.gz IAFMPCZOIFWQGP-OAQYLSRUSA-N 0 0 384.476 4.733 50 0 GJAARN Cc1cc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1C(C)C ZINC000029796726 570480122 /nfs/dbraw/zinc/48/01/22/570480122.db2.gz YYWCDQXKFBDWDD-OAQYLSRUSA-N 0 0 395.499 4.632 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(F)cccc1Cl ZINC000006586435 570484030 /nfs/dbraw/zinc/48/40/30/570484030.db2.gz QZEDRYSETAJESE-QWQRMKEZSA-N 0 0 384.875 4.569 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F ZINC000006586433 570484042 /nfs/dbraw/zinc/48/40/42/570484042.db2.gz BNEFUQKHPFWCNJ-CKEIUWERSA-N 0 0 386.410 4.866 50 0 GJAARN CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000030028588 570485073 /nfs/dbraw/zinc/48/50/73/570485073.db2.gz UVBSZHBYZWJVQR-UHFFFAOYSA-N 0 0 388.467 4.889 50 0 GJAARN O=C(NCc1ccco1)c1cnn(-c2cccc(Cl)c2)c1-c1ccccc1 ZINC000035960282 570488895 /nfs/dbraw/zinc/48/88/95/570488895.db2.gz WMTPZOQWVUIMGC-UHFFFAOYSA-N 0 0 377.831 4.716 50 0 GJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000006703561 570489418 /nfs/dbraw/zinc/48/94/18/570489418.db2.gz PSAPEANDFMJJGB-UHFFFAOYSA-N 0 0 388.920 4.697 50 0 GJAARN O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)s1 ZINC000006602575 570491882 /nfs/dbraw/zinc/49/18/82/570491882.db2.gz MZCSPOUTVXXPDY-UHFFFAOYSA-N 0 0 399.899 4.787 50 0 GJAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000005178194 570494438 /nfs/dbraw/zinc/49/44/38/570494438.db2.gz QAKVVKVPFMQARF-UPVQGACJSA-N 0 0 386.451 4.946 50 0 GJAARN CCc1nc2sc([C@H](c3ccc(Cl)cc3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690030 570494470 /nfs/dbraw/zinc/49/44/70/570494470.db2.gz KBAIUAJMRMHVQW-WBMJQRKESA-N 0 0 390.940 4.534 50 0 GJAARN CCc1nc2sc([C@@H](c3cccc(Cl)c3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690029 570494757 /nfs/dbraw/zinc/49/47/57/570494757.db2.gz SRUCLAWPDCBJCA-MLGOLLRUSA-N 0 0 390.940 4.534 50 0 GJAARN CC1CCN(C(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)CC1 ZINC000064605850 570496618 /nfs/dbraw/zinc/49/66/18/570496618.db2.gz FXBBCJTYCGHMBS-UHFFFAOYSA-N 0 0 390.462 4.898 50 0 GJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC(C)CC4)c(C)c3cc2c1C ZINC000030819221 570496677 /nfs/dbraw/zinc/49/66/77/570496677.db2.gz QBOMWLNAAMPOHS-UHFFFAOYSA-N 0 0 381.472 4.656 50 0 GJAARN Cc1ccccc1NS(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610846 570497421 /nfs/dbraw/zinc/49/74/21/570497421.db2.gz VQBPOJMTFOFBDE-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2oc1=O ZINC000000861627 570497875 /nfs/dbraw/zinc/49/78/75/570497875.db2.gz BAIOCYFSKWYSGU-UHFFFAOYSA-N 0 0 398.374 4.559 50 0 GJAARN CN(Cc1nc2ccccc2s1)C(=O)CSCc1nc2ccccc2s1 ZINC000024314908 570498722 /nfs/dbraw/zinc/49/87/22/570498722.db2.gz BOWIJFORYKGUIE-UHFFFAOYSA-N 0 0 399.566 4.798 50 0 GJAARN COc1ccc2cc(CN(C)CC(=O)Nc3c(C)cccc3C)c(Cl)nc2c1 ZINC000006607813 570499630 /nfs/dbraw/zinc/49/96/30/570499630.db2.gz FTZUQMFIUNNQMD-UHFFFAOYSA-N 0 0 397.906 4.584 50 0 GJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1ccc(Cl)cc1 ZINC000005660108 570500417 /nfs/dbraw/zinc/50/04/17/570500417.db2.gz UZBYAPRZHGAHJR-UHFFFAOYSA-N 0 0 380.860 4.846 50 0 GJAARN O=C(N[C@H](Sc1nc2ccccc2o1)C(=O)c1cccs1)c1ccccc1 ZINC000027061727 570500885 /nfs/dbraw/zinc/50/08/85/570500885.db2.gz HZIAFEKGAMBPED-LJQANCHMSA-N 0 0 394.477 4.620 50 0 GJAARN CCOc1ccccc1CNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022671107 570500961 /nfs/dbraw/zinc/50/09/61/570500961.db2.gz MBTQVCVRFQHOPC-UHFFFAOYSA-N 0 0 378.472 4.968 50 0 GJAARN CC[C@H](COC)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000022672589 570501817 /nfs/dbraw/zinc/50/18/17/570501817.db2.gz AMCOKLHDDZEKRL-GOSISDBHSA-N 0 0 383.879 4.552 50 0 GJAARN Cc1noc(-c2cccc(F)c2)c1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000022674282 570501887 /nfs/dbraw/zinc/50/18/87/570501887.db2.gz MDUMUBMNZKEGNC-UHFFFAOYSA-N 0 0 378.447 4.884 50 0 GJAARN c1csc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c1 ZINC000002707207 570506190 /nfs/dbraw/zinc/50/61/90/570506190.db2.gz HCIYGSKPFCTAAW-NHCUHLMSSA-N 0 0 384.464 4.552 50 0 GJAARN COc1ccc(-c2cc(CN(C(=O)c3ccc(F)cc3)C(C)C)no2)c(OC)c1 ZINC000036001819 570507627 /nfs/dbraw/zinc/50/76/27/570507627.db2.gz PKTMTNVNBPRSCQ-UHFFFAOYSA-N 0 0 398.434 4.549 50 0 GJAARN CC[C@H](C)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000006623905 570507867 /nfs/dbraw/zinc/50/78/67/570507867.db2.gz GJDUCWZRVXQANU-AWEZNQCLSA-N 0 0 389.451 4.972 50 0 biogenic GJAARN O=C(COc1ccc2c(c1)onc2-c1ccc(F)cc1)OCc1ccccc1 ZINC000032089878 570508108 /nfs/dbraw/zinc/50/81/08/570508108.db2.gz NNBXQYAMUYHEMF-UHFFFAOYSA-N 0 0 377.371 4.756 50 0 GJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)n2C(C)C)cc1 ZINC000006633956 570509599 /nfs/dbraw/zinc/50/95/99/570509599.db2.gz UCNSVEGTMRENMQ-OAHLLOKOSA-N 0 0 381.501 4.898 50 0 GJAARN Cc1ccc(C)c(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)c1 ZINC000002719710 570509972 /nfs/dbraw/zinc/50/99/72/570509972.db2.gz VOTMGOBRQCMPIS-UHFFFAOYSA-N 0 0 380.538 4.790 50 0 GJAARN Cc1ccc(-c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)no2)c(C)c1 ZINC000036016412 570511468 /nfs/dbraw/zinc/51/14/68/570511468.db2.gz XCOXGOXKAUUTIU-OAQYLSRUSA-N 0 0 390.483 4.780 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(F)cc3)cc2s1 ZINC000032959393 570513050 /nfs/dbraw/zinc/51/30/50/570513050.db2.gz LMHRTJOOQIMZLC-UHFFFAOYSA-N 0 0 385.464 4.745 50 0 GJAARN O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1cccnc1Cl ZINC000002760136 570513709 /nfs/dbraw/zinc/51/37/09/570513709.db2.gz IQXKXKJEWKWOKG-UHFFFAOYSA-N 0 0 381.650 4.539 50 0 GJAARN Cc1cccc(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C2CC2)c1 ZINC000002798784 570516404 /nfs/dbraw/zinc/51/64/04/570516404.db2.gz UYAMVRRATGOPII-UHFFFAOYSA-N 0 0 385.817 4.561 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3cc(C)cc(C)c3)cc2s1 ZINC000032959724 570517099 /nfs/dbraw/zinc/51/70/99/570517099.db2.gz PSQLHUHEHUVRPR-UHFFFAOYSA-N 0 0 381.501 4.833 50 0 GJAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)NCc3cccs3)n2)cc1 ZINC000064677221 570517232 /nfs/dbraw/zinc/51/72/32/570517232.db2.gz IHGBHJIHXAWJQZ-UHFFFAOYSA-N 0 0 393.537 4.965 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)C1CCCCC1 ZINC000033048669 570518922 /nfs/dbraw/zinc/51/89/22/570518922.db2.gz KGXVSHPKKMSBCW-IBGZPJMESA-N 0 0 379.435 4.662 50 0 GJAARN O=c1nc(CSC2=Nc3ccccc3CS2)[nH]c2sc3c(c21)CCC3 ZINC000006653977 570520798 /nfs/dbraw/zinc/52/07/98/570520798.db2.gz XHYVYGMZBDEMIL-UHFFFAOYSA-N 0 0 385.539 4.641 50 0 GJAARN Cc1cccc(-c2nsc(SCC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000002917519 570520939 /nfs/dbraw/zinc/52/09/39/570520939.db2.gz BZTDNOVPPDABEC-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN O=C(NC1CCCC1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000033257951 570521705 /nfs/dbraw/zinc/52/17/05/570521705.db2.gz QPIPCEXYGRJHOS-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN O=C(NCc1ccc(F)cc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258024 570521757 /nfs/dbraw/zinc/52/17/57/570521757.db2.gz XEXDGTPXRXZGTE-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN CC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1 ZINC000033270377 570522803 /nfs/dbraw/zinc/52/28/03/570522803.db2.gz NKMSEIZJSFEBBO-SFHVURJKSA-N 0 0 376.522 4.621 50 0 GJAARN Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)c2ccccc2)c1 ZINC000005235869 570523888 /nfs/dbraw/zinc/52/38/88/570523888.db2.gz UYYDPTMPZPRMTM-SFHVURJKSA-N 0 0 397.478 4.719 50 0 GJAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000005235774 570523962 /nfs/dbraw/zinc/52/39/62/570523962.db2.gz NFNCDLOEEOWIKQ-SJORKVTESA-N 0 0 377.488 4.612 50 0 GJAARN Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)cc1 ZINC000005235749 570524156 /nfs/dbraw/zinc/52/41/56/570524156.db2.gz QGGOWZMSWQXNGN-FQEVSTJZSA-N 0 0 381.479 4.914 50 0 GJAARN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000005249129 570525228 /nfs/dbraw/zinc/52/52/28/570525228.db2.gz GXJKWWDRJUFSCX-QHCPKHFHSA-N 0 0 399.425 4.974 50 0 GJAARN COc1ccc(CCn2c(C)c(C(C)=O)sc2=Nc2ccccc2)cc1OC ZINC000005243097 570526019 /nfs/dbraw/zinc/52/60/19/570526019.db2.gz ACUVMZOWHATPHQ-FCQUAONHSA-N 0 0 396.512 4.553 50 0 GJAARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CC(C)C)c1-c1nc2ccccc2[nH]1 ZINC000006665304 570526765 /nfs/dbraw/zinc/52/67/65/570526765.db2.gz UKEDUBQEWHJZDY-KRWDZBQOSA-N 0 0 394.519 4.812 50 0 GJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(Cl)cc2)[C@@H](C)C(C)C)n1 ZINC000036069050 570526767 /nfs/dbraw/zinc/52/67/67/570526767.db2.gz PGFVGSIHYIRJEA-INIZCTEOSA-N 0 0 391.943 4.761 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)c2c1C ZINC000032960303 570527096 /nfs/dbraw/zinc/52/70/96/570527096.db2.gz JENTUXFYNXFDKI-GOSISDBHSA-N 0 0 392.503 4.620 50 0 GJAARN CC(C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(F)cc1 ZINC000036082971 570529481 /nfs/dbraw/zinc/52/94/81/570529481.db2.gz VVBIIRHYWIGRQD-QGZVFWFLSA-N 0 0 395.478 4.715 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000005256425 570531217 /nfs/dbraw/zinc/53/12/17/570531217.db2.gz ZPFURBWJURIMNR-QFIPXVFZSA-N 0 0 375.472 4.832 50 0 GJAARN COc1ccc(Cl)c2sc(NC(=O)c3nc4ccccc4s3)nc21 ZINC000005256584 570531249 /nfs/dbraw/zinc/53/12/49/570531249.db2.gz HTRUZCKZTGKWHF-UHFFFAOYSA-N 0 0 375.862 4.820 50 0 GJAARN Cn1c(CCc2ccc(NC(=O)CCc3ccccc3)cc2)nc2ccccc21 ZINC000032960852 570531505 /nfs/dbraw/zinc/53/15/05/570531505.db2.gz UHZSJTGWCHMZJL-UHFFFAOYSA-N 0 0 383.495 4.930 50 0 GJAARN CC(C)N(Cc1nccn1Cc1cccc(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000006689985 570533111 /nfs/dbraw/zinc/53/31/11/570533111.db2.gz CBWVBXGHHXZTFT-UHFFFAOYSA-N 0 0 385.870 4.775 50 0 GJAARN Cc1cc(NC(=O)Nc2ccc3nnc(C(C)C)n3c2)ccc1Br ZINC000064757275 570535115 /nfs/dbraw/zinc/53/51/15/570535115.db2.gz ZFZNKKJLLHHMPQ-UHFFFAOYSA-N 0 0 388.269 4.568 50 0 GJAARN C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC000008714181 570537510 /nfs/dbraw/zinc/53/75/10/570537510.db2.gz HQWNRHYQJCLZSR-CQSZACIVSA-N 0 0 379.843 4.877 50 0 GJAARN COc1ccc(OC)c2c(C)cc(N3CCN(c4cccc(C)c4C)CC3)nc12 ZINC000004982185 570540728 /nfs/dbraw/zinc/54/07/28/570540728.db2.gz JJXYNMAJSJGMTF-UHFFFAOYSA-N 0 0 391.515 4.504 50 0 GJAARN O=C(NC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1)Cc1ccncc1 ZINC000005050963 570541006 /nfs/dbraw/zinc/54/10/06/570541006.db2.gz WRKIXAFDMHSJOL-UHFFFAOYSA-N 0 0 375.516 4.762 50 0 GJAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)N2CCC4CC2)cc1Cl ZINC000008763225 570541027 /nfs/dbraw/zinc/54/10/27/570541027.db2.gz YUMCRVJTJJCBQL-UHFFFAOYSA-N 0 0 398.919 4.790 50 0 GJAARN C[C@H]1C[C@@H](OC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C(=O)O1 ZINC000040012294 570541287 /nfs/dbraw/zinc/54/12/87/570541287.db2.gz BJHLYRQLSPNXTM-MEDUHNTESA-N 0 0 393.411 4.606 50 0 GJAARN O=C1c2ccccc2CC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000008816123 570542321 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CN(C(=O)c1cnn2c1nccc2-c1cccs1)[C@@H]1CCCc2ccccc21 ZINC000032968996 570550573 /nfs/dbraw/zinc/55/05/73/570550573.db2.gz PIQNPSJCKHCALQ-GOSISDBHSA-N 0 0 388.496 4.607 50 0 GJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)C(=O)C(C)(C)C)c1 ZINC000006721984 570550757 /nfs/dbraw/zinc/55/07/57/570550757.db2.gz HVQSRAVRCFRRHD-UHFFFAOYSA-N 0 0 387.568 4.522 50 0 GJAARN Cc1nc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1Br ZINC000009192637 570551566 /nfs/dbraw/zinc/55/15/66/570551566.db2.gz VWXNOKHIFYHNCQ-UHFFFAOYSA-N 0 0 381.273 4.923 50 0 GJAARN Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1CCC1=CCCCC1 ZINC000005316194 570552512 /nfs/dbraw/zinc/55/25/12/570552512.db2.gz CCYFPUXGZBVVCQ-UHFFFAOYSA-N 0 0 389.499 4.588 50 0 GJAARN O=C(Nc1cccc(I)c1)c1occc1-c1ccccc1 ZINC000022836653 570554598 /nfs/dbraw/zinc/55/45/98/570554598.db2.gz BTLWFOGAIIMVMC-UHFFFAOYSA-N 0 0 389.192 4.804 50 0 GJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC(C)C)OC1(CCCCC1)CC3 ZINC000062001428 570555255 /nfs/dbraw/zinc/55/52/55/570555255.db2.gz 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570562285 /nfs/dbraw/zinc/56/22/85/570562285.db2.gz SLQLHSGZLAVRNB-OAHLLOKOSA-N 0 0 383.442 4.639 50 0 GJAARN CCn1c(C(=O)Nc2ccc(F)cc2Cl)cc2c1c1ccccc1oc2=O ZINC000064839017 570562633 /nfs/dbraw/zinc/56/26/33/570562633.db2.gz ZALORPRMHWMLPW-UHFFFAOYSA-N 0 0 384.794 4.812 50 0 GJAARN CCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(Br)ccc1O2 ZINC000006748532 570567380 /nfs/dbraw/zinc/56/73/80/570567380.db2.gz USUHWTZZNJDWDP-UHFFFAOYSA-N 0 0 399.244 4.707 50 0 GJAARN COC(=O)c1ccccc1NC(=O)N[C@H](C)c1c(C)c(C)sc1-n1cccc1 ZINC000006750411 570567922 /nfs/dbraw/zinc/56/79/22/570567922.db2.gz UCNXNKVGEZLNJQ-CQSZACIVSA-N 0 0 397.500 4.825 50 0 GJAARN Clc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c(Cl)c1 ZINC000032975330 570568137 /nfs/dbraw/zinc/56/81/37/570568137.db2.gz SPSKWYXZNOYNFU-UHFFFAOYSA-N 0 0 376.243 4.547 50 0 GJAARN Cc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000006753253 570570554 /nfs/dbraw/zinc/57/05/54/570570554.db2.gz CQZQDPZQJNELTQ-HSZRJFAPSA-N 0 0 399.450 4.738 50 0 aggregator GJAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000225416519 570572069 /nfs/dbraw/zinc/57/20/69/570572069.db2.gz VUKRLHHGVGUXJL-DLBZAZTESA-N 0 0 396.288 4.890 50 0 GJAARN COc1ccccc1CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000036246514 570580742 /nfs/dbraw/zinc/58/07/42/570580742.db2.gz NEVCBLRTHJBYPD-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000036246378 570580760 /nfs/dbraw/zinc/58/07/60/570580760.db2.gz BJGCFRHAYJNFFE-UHFFFAOYSA-N 0 0 375.852 4.875 50 0 GJAARN Cc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)c(C)c1 ZINC000064919371 570590449 /nfs/dbraw/zinc/59/04/49/570590449.db2.gz DNNYJFAKXKENHM-UHFFFAOYSA-N 0 0 386.430 4.943 50 0 GJAARN CCCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000002620129 570590612 /nfs/dbraw/zinc/59/06/12/570590612.db2.gz AKJOGAUIGYKEFZ-UHFFFAOYSA-N 0 0 381.501 4.729 50 0 GJAARN CCN(Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C)Cc1ccccc1 ZINC000011879990 570591198 /nfs/dbraw/zinc/59/11/98/570591198.db2.gz MPXGWJWHTARJBD-UHFFFAOYSA-N 0 0 380.488 4.998 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)n2C)c1 ZINC000006788530 570594254 /nfs/dbraw/zinc/59/42/54/570594254.db2.gz WNTMUOLNCAFNEI-UHFFFAOYSA-N 0 0 394.544 4.953 50 0 GJAARN O=C(CSc1nc2cc(Cl)ccc2s1)NCCCc1ccccc1 ZINC000006788680 570594898 /nfs/dbraw/zinc/59/48/98/570594898.db2.gz IZLRYMYZLYOKSA-UHFFFAOYSA-N 0 0 376.934 4.791 50 0 GJAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(F)c(F)c1F ZINC000006790731 570596497 /nfs/dbraw/zinc/59/64/97/570596497.db2.gz OSKKYNYDHPWOAX-UHFFFAOYSA-N 0 0 394.574 4.537 50 0 GJAARN Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2c2ccsc2)c(C)c1 ZINC000005452249 570597848 /nfs/dbraw/zinc/59/78/48/570597848.db2.gz AVIXSBHWLREFQO-JOCHJYFZSA-N 0 0 390.508 4.794 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)C=Cc2ccccc2)c2ccccc2)c1 ZINC000003221816 570598646 /nfs/dbraw/zinc/59/86/46/570598646.db2.gz DPPMSTXBHMYFKE-QDEBQFNMSA-N 0 0 399.446 4.826 50 0 GJAARN COC[C@@H]1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1 ZINC000012074888 570605209 /nfs/dbraw/zinc/60/52/09/570605209.db2.gz BBMPLSDHLJTKQA-MRXNPFEDSA-N 0 0 398.890 4.571 50 0 GJAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC000005482936 570610909 /nfs/dbraw/zinc/61/09/09/570610909.db2.gz DZWIGNOSHKVYBN-JTQLQIEISA-N 0 0 378.762 4.679 50 0 GJAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCCOc1ccccc1 ZINC000005483057 570610970 /nfs/dbraw/zinc/61/09/70/570610970.db2.gz QJTSLGYICAZPRB-UHFFFAOYSA-N 0 0 380.444 4.733 50 0 GJAARN COc1ccc(C(=O)N2CCC[C@H](OCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000036314422 570611530 /nfs/dbraw/zinc/61/15/30/570611530.db2.gz ZNRZLJDKEVLFBD-IBGZPJMESA-N 0 0 393.405 4.535 50 0 GJAARN COc1cccc(-c2cc(OC(=O)c3ccccc3)cc3sc(=O)oc32)c1 ZINC000006809714 570613625 /nfs/dbraw/zinc/61/36/25/570613625.db2.gz BRZKCHWPOQAINQ-UHFFFAOYSA-N 0 0 378.405 4.749 50 0 GJAARN O=C(COc1ccccc1)Oc1cc2sc(=O)oc2c(-c2ccc(F)cc2)c1 ZINC000006809694 570613674 /nfs/dbraw/zinc/61/36/74/570613674.db2.gz PEGLIHJKMTVJSH-UHFFFAOYSA-N 0 0 396.395 4.645 50 0 GJAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccccc2OC)n1 ZINC000005501228 570618885 /nfs/dbraw/zinc/61/88/85/570618885.db2.gz DJMKIAXEPHVVHX-UHFFFAOYSA-N 0 0 393.468 4.678 50 0 GJAARN CCc1ccccc1N(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817698 570620267 /nfs/dbraw/zinc/62/02/67/570620267.db2.gz PYSVUGBCLPTXFI-UHFFFAOYSA-N 0 0 377.513 4.922 50 0 GJAARN CCOc1ccccc1N(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817700 570620408 /nfs/dbraw/zinc/62/04/08/570620408.db2.gz WWXCDDHPZGHRIE-UHFFFAOYSA-N 0 0 393.512 4.758 50 0 GJAARN Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000004293145 570625002 /nfs/dbraw/zinc/62/50/02/570625002.db2.gz SCNPCNARKZTIHW-UHFFFAOYSA-N 0 0 392.499 4.513 50 0 GJAARN CS(=O)(=O)N(CCCCn1c2ccccc2c2ccccc21)Cc1ccco1 ZINC000005521175 570625829 /nfs/dbraw/zinc/62/58/29/570625829.db2.gz JKFDYLQRKDEBNN-UHFFFAOYSA-N 0 0 396.512 4.630 50 0 GJAARN Cc1noc(-c2sccc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000207959215 570625859 /nfs/dbraw/zinc/62/58/59/570625859.db2.gz YAQPQMRRERNCLT-UHFFFAOYSA-N 0 0 389.436 4.983 50 0 GJAARN Cc1c(NC(=O)c2occc2-c2ccc(F)cc2)cnn1-c1ccccc1F ZINC000152066417 570626259 /nfs/dbraw/zinc/62/62/59/570626259.db2.gz VJSVIVGSLHMWEW-UHFFFAOYSA-N 0 0 379.366 4.971 50 0 GJAARN Clc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc3c(c2)OCCO3)c1 ZINC000036347508 570629155 /nfs/dbraw/zinc/62/91/55/570629155.db2.gz HDJPLNUXSXWDJY-HSZRJFAPSA-N 0 0 394.902 4.908 50 0 GJAARN CC(=O)c1ccc(NC(=O)COc2c(C)cc(Br)cc2Cl)cc1 ZINC000004579971 570630810 /nfs/dbraw/zinc/63/08/10/570630810.db2.gz KVPPQZPMSZCSSH-UHFFFAOYSA-N 0 0 396.668 4.631 50 0 GJAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(Cl)c1Cl ZINC000012249276 570630947 /nfs/dbraw/zinc/63/09/47/570630947.db2.gz YKIMUMOXYUNGSE-UHFFFAOYSA-N 0 0 394.283 4.698 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1Cl ZINC000064989290 570632261 /nfs/dbraw/zinc/63/22/61/570632261.db2.gz NMTQPTQJWLIBMA-UHFFFAOYSA-N 0 0 392.890 4.958 50 0 GJAARN Cn1cnc2c1cc(C#N)c(Nc1ccc(Br)cc1Cl)c2F ZINC000095629789 570632613 /nfs/dbraw/zinc/63/26/13/570632613.db2.gz LBAPTEXRVPLOEW-UHFFFAOYSA-N 0 0 379.620 4.744 50 0 GJAARN COc1ccc2oc(=O)c(-c3csc(-c4ccc(OC)c(OC)c4)n3)cc2c1 ZINC000012389413 570639026 /nfs/dbraw/zinc/63/90/26/570639026.db2.gz ORGBUFARADSZPL-UHFFFAOYSA-N 0 0 395.436 4.609 50 0 GJAARN Cc1cc(C)n(-c2nc3sc4c(c3c(NCc3ccccc3)n2)CCCC4)n1 ZINC000005556593 570639722 /nfs/dbraw/zinc/63/97/22/570639722.db2.gz XZQPOIHINMSENM-UHFFFAOYSA-N 0 0 389.528 4.985 50 0 GJAARN Cc1nc(Cc2nn3c(nnc3-c3cc(Cl)ccc3Cl)s2)cs1 ZINC000036357618 570639740 /nfs/dbraw/zinc/63/97/40/570639740.db2.gz FRHZLLDKLIQRPM-UHFFFAOYSA-N 0 0 382.301 4.515 50 0 GJAARN Cc1ccc(-c2nc(CN3CCC(OCc4ccccn4)CC3)c(C)o2)s1 ZINC000012319204 570642414 /nfs/dbraw/zinc/64/24/14/570642414.db2.gz MNXQQSHABPXHHJ-UHFFFAOYSA-N 0 0 383.517 4.596 50 0 GJAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 ZINC000033020512 570646033 /nfs/dbraw/zinc/64/60/33/570646033.db2.gz TVBMLOBAKUPKCF-UHFFFAOYSA-N 0 0 387.458 4.679 50 0 GJAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000033020544 570646107 /nfs/dbraw/zinc/64/61/07/570646107.db2.gz XOOALHBJCGWFPE-UHFFFAOYSA-N 0 0 383.495 4.930 50 0 GJAARN COc1cccc(-c2ccc(SCc3nc(-c4ccccc4C)no3)nn2)c1 ZINC000033022010 570647657 /nfs/dbraw/zinc/64/76/57/570647657.db2.gz GBCSUYIPOYAJCJ-UHFFFAOYSA-N 0 0 390.468 4.803 50 0 GJAARN CCCOc1c2cc(NC(=O)NC3CCCCC3)ccc2sc1C(=O)OC ZINC000065022999 570649487 /nfs/dbraw/zinc/64/94/87/570649487.db2.gz IIFVTWXYROJNOT-UHFFFAOYSA-N 0 0 390.505 4.931 50 0 GJAARN CN(Cc1ccccc1)C(=O)C1(c2ccc(NC(=O)C3CC3)cc2)CCCCC1 ZINC000065027474 570650218 /nfs/dbraw/zinc/65/02/18/570650218.db2.gz QXFFLYPXHCHVPD-UHFFFAOYSA-N 0 0 390.527 4.896 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2cccs2)nn1 ZINC000006859319 570651582 /nfs/dbraw/zinc/65/15/82/570651582.db2.gz TVZQHGMAKNDWDW-UHFFFAOYSA-N 0 0 391.905 4.598 50 0 GJAARN Cc1ccc(C)c(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000065031450 570652012 /nfs/dbraw/zinc/65/20/12/570652012.db2.gz FUOUUGLBJNGSCG-UHFFFAOYSA-N 0 0 383.451 4.931 50 0 GJAARN c1sc(-c2ccccc2)nc1-c1ccc(-c2noc(-c3cnccn3)n2)cc1 ZINC000065032303 570652485 /nfs/dbraw/zinc/65/24/85/570652485.db2.gz QSVAWKJAPRSGNT-UHFFFAOYSA-N 0 0 383.436 4.984 50 0 GJAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000065031536 570652490 /nfs/dbraw/zinc/65/24/90/570652490.db2.gz MLYUCNBBKOEMPO-SFHVURJKSA-N 0 0 397.478 4.723 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012407790 570654446 /nfs/dbraw/zinc/65/44/46/570654446.db2.gz KZQPTQPBDUAMQV-UHFFFAOYSA-N 0 0 386.860 4.795 50 0 GJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000012407706 570654464 /nfs/dbraw/zinc/65/44/64/570654464.db2.gz BMTZXFLTDQSVFB-GOSISDBHSA-N 0 0 398.915 4.986 50 0 GJAARN CCOc1ccc(-c2cc(-c3nc(-c4ccc(OCC)cc4)no3)n[nH]2)cc1 ZINC000012415144 570656867 /nfs/dbraw/zinc/65/68/67/570656867.db2.gz AMVRCYYRZGDDLF-UHFFFAOYSA-N 0 0 376.416 4.591 50 0 GJAARN COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)cc1 ZINC000012435259 570662183 /nfs/dbraw/zinc/66/21/83/570662183.db2.gz XWWHZJIETIHAGT-LJQANCHMSA-N 0 0 377.488 4.510 50 0 GJAARN Cc1ccc([C@@H]2c3ccccc3NC(=O)CN2C(=O)c2ccccc2Cl)cc1 ZINC000072314649 570662290 /nfs/dbraw/zinc/66/22/90/570662290.db2.gz UOWJOZALKZWYLN-JOCHJYFZSA-N 0 0 390.870 4.832 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 ZINC000003117412 570662865 /nfs/dbraw/zinc/66/28/65/570662865.db2.gz AENGMXHGRBDJBT-HXUWFJFHSA-N 0 0 393.487 4.551 50 0 biogenic GJAARN COc1ccc(Oc2ncc(-c3ccc(C(=O)NCCC(C)C)cc3)cn2)cc1 ZINC000065057650 570666169 /nfs/dbraw/zinc/66/61/69/570666169.db2.gz ODFIBCAWVDWMAR-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000006006917 570667538 /nfs/dbraw/zinc/66/75/38/570667538.db2.gz GZWSSAURCTWWKA-MDZDMXLPSA-N 0 0 387.863 4.551 50 0 GJAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC(c2cc[nH]n2)CC1 ZINC000152971846 570668971 /nfs/dbraw/zinc/66/89/71/570668971.db2.gz YNFFLSUEKYPYLX-UHFFFAOYSA-N 0 0 397.866 4.662 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000005612954 570669948 /nfs/dbraw/zinc/66/99/48/570669948.db2.gz NVFIIHBSGYZKAT-NRFANRHFSA-N 0 0 397.833 4.945 50 0 GJAARN COc1ccc(-c2noc(CN3CCC(Sc4ccc(C)cc4)CC3)n2)cc1 ZINC000012467906 570671708 /nfs/dbraw/zinc/67/17/08/570671708.db2.gz IVPTXPVFLKSGOL-UHFFFAOYSA-N 0 0 395.528 4.810 50 0 GJAARN Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3C(C)C)s2)on1 ZINC000012422356 570673100 /nfs/dbraw/zinc/67/31/00/570673100.db2.gz CQQCZUQCSHPBLT-UHFFFAOYSA-N 0 0 392.484 4.958 50 0 GJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435972 570675372 /nfs/dbraw/zinc/67/53/72/570675372.db2.gz RJGRPFUEEAMZAF-OAHLLOKOSA-N 0 0 380.488 4.739 50 0 GJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCCCCC3)n2)cc1 ZINC000032579173 570675387 /nfs/dbraw/zinc/67/53/87/570675387.db2.gz IZXSGDDMIHXUCK-UHFFFAOYSA-N 0 0 391.471 4.640 50 0 GJAARN Cc1cc(NC(=O)c2ccco2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000012441845 570677133 /nfs/dbraw/zinc/67/71/33/570677133.db2.gz HSIJHMVRXYQEQA-UHFFFAOYSA-N 0 0 384.848 4.803 50 0 GJAARN COc1ccccc1/C=C/C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007507579 570677917 /nfs/dbraw/zinc/67/79/17/570677917.db2.gz AUKACQZUHGRTLZ-FOCLMDBBSA-N 0 0 387.435 4.704 50 0 GJAARN COc1ccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc2c1 ZINC000012443604 570678017 /nfs/dbraw/zinc/67/80/17/570678017.db2.gz NMXFRVZTWHAVHY-UHFFFAOYSA-N 0 0 380.425 4.582 50 0 GJAARN CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000007254513 570678348 /nfs/dbraw/zinc/67/83/48/570678348.db2.gz RQCWVQAUNUXGCO-JXMROGBWSA-N 0 0 387.863 4.551 50 0 GJAARN COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012444031 570678420 /nfs/dbraw/zinc/67/84/20/570678420.db2.gz GWMCWTDCOAUQMU-UHFFFAOYSA-N 0 0 380.206 4.579 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C ZINC000032593680 570679178 /nfs/dbraw/zinc/67/91/78/570679178.db2.gz JBFMBEJHKDOYQZ-UHFFFAOYSA-N 0 0 389.860 4.635 50 0 GJAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000012558756 570680047 /nfs/dbraw/zinc/68/00/47/570680047.db2.gz RYZNZEKFIFHLAV-MBSDFSHPSA-N 0 0 390.439 4.848 50 0 GJAARN Cc1nc(SCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)[nH]c1Cc1ccccc1 ZINC000008719413 570681440 /nfs/dbraw/zinc/68/14/40/570681440.db2.gz JMPPQMSYCPRMAT-KRWDZBQOSA-N 0 0 393.556 4.895 50 0 GJAARN COc1cccc(-c2nc3ccc(C(=O)N(C)CC[C@@H]4CCCCO4)cc3o2)c1 ZINC000012572273 570681497 /nfs/dbraw/zinc/68/14/97/570681497.db2.gz PQSVYQUXVKNHRT-SFHVURJKSA-N 0 0 394.471 4.535 50 0 GJAARN COc1ccc(-c2nc(CN3CCC[C@H](OCc4ccccc4)C3)c(C)o2)cc1 ZINC000012571779 570681559 /nfs/dbraw/zinc/68/15/59/570681559.db2.gz SKFMRMJCANEJPI-QFIPXVFZSA-N 0 0 392.499 4.840 50 0 GJAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)CCS1 ZINC000219290548 570681771 /nfs/dbraw/zinc/68/17/71/570681771.db2.gz ZRIWQWVZDGHRQZ-NRFANRHFSA-N 0 0 377.513 4.501 50 0 GJAARN Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1c(C)oc2c1C(=O)CCC2 ZINC000055099627 570683003 /nfs/dbraw/zinc/68/30/03/570683003.db2.gz UBDJWBFEWMZHBD-UHFFFAOYSA-N 0 0 397.862 4.566 50 0 GJAARN CN(CC[C@H]1CCCCO1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012581228 570684020 /nfs/dbraw/zinc/68/40/20/570684020.db2.gz MFPIENBHWTWBOI-HXUWFJFHSA-N 0 0 392.499 4.644 50 0 GJAARN COC(=O)Nc1cc(NC(=O)N2CCc3c(cccc3C(C)C)C2)ccc1F ZINC000239761641 570684484 /nfs/dbraw/zinc/68/44/84/570684484.db2.gz CKBJRZUBOMEEFR-UHFFFAOYSA-N 0 0 385.439 4.718 50 0 GJAARN CCOC(=O)C1(CC2CC2)CCN(C(=O)c2oc3cc(C)ccc3c2C)CC1 ZINC000012592217 570687689 /nfs/dbraw/zinc/68/76/89/570687689.db2.gz RMCYARMALSWYLM-UHFFFAOYSA-N 0 0 383.488 4.635 50 0 GJAARN O=C(CCC(=O)N1CCS[C@H](c2cc(F)ccc2F)CC1)c1ccccc1 ZINC000219308391 570694107 /nfs/dbraw/zinc/69/41/07/570694107.db2.gz BOCTUOQYQVUISE-FQEVSTJZSA-N 0 0 389.467 4.635 50 0 GJAARN CCC(=O)NCc1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)s1 ZINC000065097016 570695605 /nfs/dbraw/zinc/69/56/05/570695605.db2.gz ZXKMHPUIHXFOLM-UHFFFAOYSA-N 0 0 382.272 4.798 50 0 GJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCCOc3ccccc3)n2)cc1 ZINC000006905584 570697942 /nfs/dbraw/zinc/69/79/42/570697942.db2.gz LVSYSYNCSNKSPH-UHFFFAOYSA-N 0 0 395.484 4.566 50 0 GJAARN Cc1ccccc1CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2 ZINC000004358752 570698559 /nfs/dbraw/zinc/69/85/59/570698559.db2.gz QRGXJTUUYMHRMG-UHFFFAOYSA-N 0 0 380.538 4.541 50 0 GJAARN CCOc1ccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1 ZINC000004358679 570698598 /nfs/dbraw/zinc/69/85/98/570698598.db2.gz DYAATLXOPBUXJE-UHFFFAOYSA-N 0 0 384.476 4.629 50 0 GJAARN Cc1ccc(Oc2nccnc2SCC(=O)NCCC2=CCCCC2)cc1 ZINC000065110976 570699276 /nfs/dbraw/zinc/69/92/76/570699276.db2.gz KMTQAZLJYVKMIN-UHFFFAOYSA-N 0 0 383.517 4.676 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(Cl)cc2F)n1 ZINC000065114375 570699474 /nfs/dbraw/zinc/69/94/74/570699474.db2.gz SYRRJEIOHHVJRC-UHFFFAOYSA-N 0 0 384.842 4.710 50 0 GJAARN COc1ccc(Cl)cc1Nc1c(C(=O)OC(C)C)cnc2nc(C)ccc21 ZINC000065114263 570699511 /nfs/dbraw/zinc/69/95/11/570699511.db2.gz LOHNXBACXISBRD-UHFFFAOYSA-N 0 0 385.851 4.909 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2ccc(F)c(F)c2)n1 ZINC000065114587 570700046 /nfs/dbraw/zinc/70/00/46/570700046.db2.gz WGCLRFGIWALIHZ-ZDUSSCGKSA-N 0 0 396.441 4.832 50 0 GJAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710073 570702156 /nfs/dbraw/zinc/70/21/56/570702156.db2.gz AULVGJITDZDFMO-GOSISDBHSA-N 0 0 385.577 4.898 50 0 GJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccncc2)nc2ccccc21 ZINC000017295613 570702461 /nfs/dbraw/zinc/70/24/61/570702461.db2.gz ITBGVAOKFFAONE-UHFFFAOYSA-N 0 0 392.462 4.751 50 0 biogenic GJAARN C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000883893 570704845 /nfs/dbraw/zinc/70/48/45/570704845.db2.gz RNFVNOKVFKIIPT-CYBMUJFWSA-N 0 0 395.450 4.656 50 0 GJAARN Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000006921890 570706911 /nfs/dbraw/zinc/70/69/11/570706911.db2.gz NSOSGJVRLNYHNF-YJBOKZPZSA-N 0 0 389.496 4.885 50 0 GJAARN O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccccc1F ZINC000032623249 570707669 /nfs/dbraw/zinc/70/76/69/570707669.db2.gz AAMAKQWGIWXQJX-UHFFFAOYSA-N 0 0 377.350 4.934 50 0 GJAARN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135266 570709494 /nfs/dbraw/zinc/70/94/94/570709494.db2.gz WZDSLTIDSNVGIG-KRWDZBQOSA-N 0 0 395.865 4.956 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3OC)ccc21 ZINC000058123260 570709658 /nfs/dbraw/zinc/70/96/58/570709658.db2.gz RPUHZNJOQOYYOR-UHFFFAOYSA-N 0 0 387.483 4.551 50 0 GJAARN O=C(c1ccccc1F)N1CCC[C@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148272 570710378 /nfs/dbraw/zinc/71/03/78/570710378.db2.gz UCTINSYZXDZQKM-HNNXBMFYSA-N 0 0 394.425 4.518 50 0 GJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000065148893 570710757 /nfs/dbraw/zinc/71/07/57/570710757.db2.gz ISQQJRVULRNHGP-UHFFFAOYSA-N 0 0 383.879 4.531 50 0 GJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1 ZINC000006933461 570711137 /nfs/dbraw/zinc/71/11/37/570711137.db2.gz XSDMQIJGGNKULN-XMMPIXPASA-N 0 0 395.462 4.660 50 0 GJAARN CCOC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000058156119 570711456 /nfs/dbraw/zinc/71/14/56/570711456.db2.gz TYIAEEZYRLSBNH-UHFFFAOYSA-N 0 0 390.483 4.958 50 0 GJAARN O=c1nc(CN2CC[C@@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000036447033 570712135 /nfs/dbraw/zinc/71/21/35/570712135.db2.gz RKHJKQOCOWWYKD-HOCLYGCPSA-N 0 0 397.519 4.803 50 0 GJAARN COc1cc2c(cc1NC(=O)CSc1nc(C)cc(C)n1)oc1ccccc12 ZINC000006937708 570712524 /nfs/dbraw/zinc/71/25/24/570712524.db2.gz OBRIKOYIZJYARG-UHFFFAOYSA-N 0 0 393.468 4.732 50 0 GJAARN C[C@@H](NCc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000058160539 570712985 /nfs/dbraw/zinc/71/29/85/570712985.db2.gz ICKLUSBKSYFWTG-SECBINFHSA-N 0 0 375.658 4.903 50 0 GJAARN CC(C)n1ncc2cc(NC(=O)N(Cc3ccco3)Cc3cccs3)cnc21 ZINC000058166781 570713810 /nfs/dbraw/zinc/71/38/10/570713810.db2.gz IZKCYMUMJIYISI-UHFFFAOYSA-N 0 0 395.488 4.901 50 0 GJAARN O=C(c1cnc2ccccc2n1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012791277 570714293 /nfs/dbraw/zinc/71/42/93/570714293.db2.gz AOSAIMOFZLZPKX-LJQANCHMSA-N 0 0 377.494 4.541 50 0 GJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000001119256 570714659 /nfs/dbraw/zinc/71/46/59/570714659.db2.gz JNNJHIRDHUTQDI-CYBMUJFWSA-N 0 0 377.868 4.888 50 0 GJAARN COc1ccc(Br)cc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000001512710 570715338 /nfs/dbraw/zinc/71/53/38/570715338.db2.gz KCWCVNAHQZYEKR-UHFFFAOYSA-N 0 0 377.263 4.628 50 0 GJAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000012796239 570716159 /nfs/dbraw/zinc/71/61/59/570716159.db2.gz SJVYFGFPOHOFEG-NSHDSACASA-N 0 0 384.332 4.934 50 0 GJAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1cc(F)ccc1F ZINC000006947841 570718162 /nfs/dbraw/zinc/71/81/62/570718162.db2.gz JBURMFJYBVBRDO-UHFFFAOYSA-N 0 0 393.817 4.612 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccccc1 ZINC000012803998 570718646 /nfs/dbraw/zinc/71/86/46/570718646.db2.gz QQTJXDAVYBELSQ-UHFFFAOYSA-N 0 0 396.494 4.881 50 0 GJAARN CC1=Nc2nc3ccccc3n2[C@H](c2ccncc2)C1C(=O)OC1CCCCC1 ZINC000017968113 570722189 /nfs/dbraw/zinc/72/21/89/570722189.db2.gz NVORWFVJKZPPDE-OAQYLSRUSA-N 0 0 388.471 4.596 50 0 GJAARN COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1NC(=O)C(C)C ZINC000003017794 570722902 /nfs/dbraw/zinc/72/29/02/570722902.db2.gz AQGRUXQIVNCPNR-UHFFFAOYSA-N 0 0 392.908 4.674 50 0 GJAARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cccc(F)c2)C3=O)c1 ZINC000002412704 570723078 /nfs/dbraw/zinc/72/30/78/570723078.db2.gz VFQRWVOYYHMTNA-SRZZPIQSSA-N 0 0 390.366 4.670 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 ZINC000006974671 570726221 /nfs/dbraw/zinc/72/62/21/570726221.db2.gz SWIGISQQIZMNDW-UHFFFAOYSA-N 0 0 380.488 4.661 50 0 GJAARN Cc1noc(C)c1COC(=O)c1ccccc1Cc1nc2ccccc2s1 ZINC000025131728 570726476 /nfs/dbraw/zinc/72/64/76/570726476.db2.gz HNGVMQCKJNEESJ-UHFFFAOYSA-N 0 0 378.453 4.849 50 0 GJAARN CC(=O)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1 ZINC000004382873 570727120 /nfs/dbraw/zinc/72/71/20/570727120.db2.gz YFHDKPFKEAXSNZ-UHFFFAOYSA-N 0 0 393.487 4.793 50 0 GJAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)c1ccccc1 ZINC000065195989 570727821 /nfs/dbraw/zinc/72/78/21/570727821.db2.gz IOBZALQPESULEK-UHFFFAOYSA-N 0 0 379.416 4.534 50 0 GJAARN O=C(CCc1ccsc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012937462 570730217 /nfs/dbraw/zinc/73/02/17/570730217.db2.gz XJHVYSZEEKWDEN-UHFFFAOYSA-N 0 0 387.508 4.850 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)cc1OC ZINC000000942136 570732073 /nfs/dbraw/zinc/73/20/73/570732073.db2.gz OENVAWQSVZAIQD-WUXMJOGZSA-N 0 0 397.471 4.559 50 0 biogenic GJAARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000012972097 570733637 /nfs/dbraw/zinc/73/36/37/570733637.db2.gz MAJUBNSBHXQYDF-QGZVFWFLSA-N 0 0 379.378 4.700 50 0 GJAARN CCCCC(=O)NC(Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000003145720 570733992 /nfs/dbraw/zinc/73/39/92/570733992.db2.gz OQTQFEMQYCUZNN-UHFFFAOYSA-N 0 0 376.728 4.879 50 0 GJAARN CN(C(=O)COc1ccc(Br)cc1C(C)(C)C)C1CCCCC1 ZINC000000944966 570734198 /nfs/dbraw/zinc/73/41/98/570734198.db2.gz GRWDUAVARFDMPN-UHFFFAOYSA-N 0 0 382.342 4.917 50 0 GJAARN CC(C)c1nnc(-c2sccc2NC(=O)c2ccccc2Br)o1 ZINC000065218686 570734548 /nfs/dbraw/zinc/73/45/48/570734548.db2.gz ZXBXOXDEMQHHHU-UHFFFAOYSA-N 0 0 392.278 4.936 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1ccsc1-c1nc(-c2cccc(F)c2)no1 ZINC000065219317 570734928 /nfs/dbraw/zinc/73/49/28/570734928.db2.gz HNZARIICHJSQKH-UHFFFAOYSA-N 0 0 397.406 4.925 50 0 GJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(OC)c(OC)c1 ZINC000000949037 570735176 /nfs/dbraw/zinc/73/51/76/570735176.db2.gz GIMHECBTVCMUHD-UHFFFAOYSA-N 0 0 396.443 4.571 50 0 GJAARN CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccccc1C ZINC000058641702 570735270 /nfs/dbraw/zinc/73/52/70/570735270.db2.gz SZSOGHASSPJWRJ-UHFFFAOYSA-N 0 0 388.496 4.971 50 0 GJAARN CCc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1cccc(F)c1 ZINC000007003510 570735315 /nfs/dbraw/zinc/73/53/15/570735315.db2.gz FDBHCJFEPZOHCJ-UHFFFAOYSA-N 0 0 388.446 4.991 50 0 GJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(Cl)cc3)c2c1 ZINC000000952867 570737500 /nfs/dbraw/zinc/73/75/00/570737500.db2.gz FWOZONMSGYLOGE-UHFFFAOYSA-N 0 0 398.846 4.985 50 0 GJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccccc3CC)c2c1 ZINC000000952862 570737534 /nfs/dbraw/zinc/73/75/34/570737534.db2.gz QVPFBRDQAHGHHL-UHFFFAOYSA-N 0 0 392.455 4.894 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1 ZINC000000957958 570738796 /nfs/dbraw/zinc/73/87/96/570738796.db2.gz YHCFUAPDMQGSJE-UHFFFAOYSA-N 0 0 389.451 4.849 50 0 GJAARN CN(C)c1ncccc1CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000032686741 570740319 /nfs/dbraw/zinc/74/03/19/570740319.db2.gz WFQFVWBKKLOXTG-UHFFFAOYSA-N 0 0 399.416 4.763 50 0 GJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)Nc1cc(F)ccc1F ZINC000065240854 570745067 /nfs/dbraw/zinc/74/50/67/570745067.db2.gz ICTGPZXLQTWAJS-UHFFFAOYSA-N 0 0 384.411 4.536 50 0 GJAARN Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3)[nH]c2c1 ZINC000033064078 570749337 /nfs/dbraw/zinc/74/93/37/570749337.db2.gz OJEOWHDJVWBZJD-UHFFFAOYSA-N 0 0 386.904 4.670 50 0 GJAARN O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc2cc(F)ccc2s1 ZINC000206773389 570750069 /nfs/dbraw/zinc/75/00/69/570750069.db2.gz CMAGUAZQYZUDTF-OAHLLOKOSA-N 0 0 395.459 4.580 50 0 GJAARN CCn1cc(-c2cc(C(=O)N3[C@H](C)CCC[C@@H]3C)c3ccc(C)cc3n2)cn1 ZINC000063848590 570751180 /nfs/dbraw/zinc/75/11/80/570751180.db2.gz QZNWTEWRIMIDQG-CALCHBBNSA-N 0 0 376.504 4.830 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3cc(C)ccc3F)c12 ZINC000036615784 570751196 /nfs/dbraw/zinc/75/11/96/570751196.db2.gz JJDZGZMKVLGGKW-UHFFFAOYSA-N 0 0 392.409 4.876 50 0 GJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1c2ccccc2C[C@H]1C ZINC000036615885 570751554 /nfs/dbraw/zinc/75/15/54/570751554.db2.gz VDNLLHZHVMWZEC-MRXNPFEDSA-N 0 0 382.467 4.710 50 0 GJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CCC[C@H](C)C1 ZINC000036616035 570751599 /nfs/dbraw/zinc/75/15/99/570751599.db2.gz TZEMFMBFUHRGEB-INIZCTEOSA-N 0 0 376.504 4.607 50 0 GJAARN CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C)c1ccccc1 ZINC000036616706 570753458 /nfs/dbraw/zinc/75/34/58/570753458.db2.gz BOVNCJINMYFWSH-UHFFFAOYSA-N 0 0 384.483 4.919 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)cc1C ZINC000001114075 570754194 /nfs/dbraw/zinc/75/41/94/570754194.db2.gz UCPZSARKYIUGFF-UHFFFAOYSA-N 0 0 395.462 4.870 50 0 GJAARN COc1ccc([C@H]2CCCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)cc1 ZINC000206882953 570754462 /nfs/dbraw/zinc/75/44/62/570754462.db2.gz PPMWLYVGHAVCCM-INIZCTEOSA-N 0 0 381.501 4.557 50 0 GJAARN O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cc(-c2cccs2)on1 ZINC000206900012 570754907 /nfs/dbraw/zinc/75/49/07/570754907.db2.gz XGRDNFMPRGJDRK-UHFFFAOYSA-N 0 0 386.436 4.970 50 0 GJAARN COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3cc(O)ccc3o2)cc1 ZINC000013541477 570756749 /nfs/dbraw/zinc/75/67/49/570756749.db2.gz DDJRCMGWFHEAEA-LYBHJNIJSA-N 0 0 387.391 4.775 50 0 GJAARN Cc1cccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)c1 ZINC000064949749 570757406 /nfs/dbraw/zinc/75/74/06/570757406.db2.gz JRIMKPDFPJQXLI-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN Cc1cccc(Oc2ccc(-c3noc(CNC(=O)Cc4ccccc4)n3)cc2)c1 ZINC000065005197 570757604 /nfs/dbraw/zinc/75/76/04/570757604.db2.gz YQEMCCYZHIIWOP-UHFFFAOYSA-N 0 0 399.450 4.696 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(-n4cccc4)cc3)c12 ZINC000036613728 570757766 /nfs/dbraw/zinc/75/77/66/570757766.db2.gz GQHNDLCIAGGWSO-CQSZACIVSA-N 0 0 386.455 4.690 50 0 GJAARN Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)n1 ZINC000007039098 570758087 /nfs/dbraw/zinc/75/80/87/570758087.db2.gz WKAPQJRYGBMBEP-UHFFFAOYSA-N 0 0 382.514 4.780 50 0 GJAARN Cc1nn(C)c(C)c1CNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000036614210 570758090 /nfs/dbraw/zinc/75/80/90/570758090.db2.gz MUECIXXAAXUBEE-UHFFFAOYSA-N 0 0 395.816 4.778 50 0 GJAARN COc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000013564052 570758680 /nfs/dbraw/zinc/75/86/80/570758680.db2.gz IXKMRGOQLGZODC-KRWDZBQOSA-N 0 0 385.467 4.584 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 ZINC000013623999 570763346 /nfs/dbraw/zinc/76/33/46/570763346.db2.gz GGPDGQQUOHVYEA-UHFFFAOYSA-N 0 0 388.423 4.835 50 0 GJAARN COc1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)ccc1O ZINC000065393656 570764621 /nfs/dbraw/zinc/76/46/21/570764621.db2.gz OEOAHYHJZCSAEO-HXUWFJFHSA-N 0 0 386.451 4.513 50 0 GJAARN Cc1nn2c(ncc(C(=O)Nc3ccc(F)cc3F)c2C)c1-c1ccc(F)cc1 ZINC000021914085 570765616 /nfs/dbraw/zinc/76/56/16/570765616.db2.gz UFXDNPRTNZKENC-UHFFFAOYSA-N 0 0 396.372 4.683 50 0 GJAARN COc1cc(C)ccc1-c1c(-c2ccccc2)ncn1[C@H]1CCCN(C(C)=O)C1 ZINC000065535649 570772903 /nfs/dbraw/zinc/77/29/03/570772903.db2.gz PKPXVZQDNPZBAH-FQEVSTJZSA-N 0 0 389.499 4.718 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Br)c1 ZINC000007057121 570775451 /nfs/dbraw/zinc/77/54/51/570775451.db2.gz ZOJPCLMNFFCONU-UHFFFAOYSA-N 0 0 394.212 4.577 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000098003424 570775917 /nfs/dbraw/zinc/77/59/17/570775917.db2.gz FONISWRGSORUIF-MHWRWJLKSA-N 0 0 382.466 4.948 50 0 GJAARN CCCCCCN(CCC(=O)NCCc1ccccc1)C(=O)c1cc(C)oc1C ZINC000004457384 570784960 /nfs/dbraw/zinc/78/49/60/570784960.db2.gz VUBOMZUPKBYRAP-UHFFFAOYSA-N 0 0 398.547 4.668 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccc(F)cc1 ZINC000013777763 570789344 /nfs/dbraw/zinc/78/93/44/570789344.db2.gz OYPVOPCWDLCKSV-KIFXHHALSA-N 0 0 397.490 4.733 50 0 GJAARN CN(C)c1nc2cc(C(=O)NC3CCCCCC3)sc2n1-c1ccccc1 ZINC000065306706 570790368 /nfs/dbraw/zinc/79/03/68/570790368.db2.gz JEWOIMJOBLJUJL-UHFFFAOYSA-N 0 0 382.533 4.606 50 0 GJAARN CCOc1ccc(-c2nc3sc4cc(C)ccc4n3c2NCCOC)cc1 ZINC000065319315 570793318 /nfs/dbraw/zinc/79/33/18/570793318.db2.gz JFRZUMJRTAXOCB-UHFFFAOYSA-N 0 0 381.501 4.981 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1C(F)(F)F ZINC000032755401 570797824 /nfs/dbraw/zinc/79/78/24/570797824.db2.gz BIZKTODOWQMKTC-CYBMUJFWSA-N 0 0 396.434 4.566 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000005867975 570799329 /nfs/dbraw/zinc/79/93/29/570799329.db2.gz WGAFQWSPMGZBMZ-AWEZNQCLSA-N 0 0 376.485 4.933 50 0 GJAARN O=C(CCOc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018110609 570800051 /nfs/dbraw/zinc/80/00/51/570800051.db2.gz OJIYUYVZRVEXNE-UHFFFAOYSA-N 0 0 397.478 4.625 50 0 GJAARN COc1cc(CN(C)C(=O)c2ccc(C)s2)ccc1OCc1ccccc1 ZINC000018134659 570805927 /nfs/dbraw/zinc/80/59/27/570805927.db2.gz FUBJBAHSIHXVJH-UHFFFAOYSA-N 0 0 381.497 4.916 50 0 GJAARN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000007156841 570805961 /nfs/dbraw/zinc/80/59/61/570805961.db2.gz SPZSWFHZLCRGOJ-QEEYODRMSA-N 0 0 393.483 4.992 50 0 GJAARN O=C(N1CCS[C@@H](c2cccs2)CC1)C1(c2ccccc2)CCOCC1 ZINC000219502913 570806100 /nfs/dbraw/zinc/80/61/00/570806100.db2.gz YATWJSPVQQWUKZ-LJQANCHMSA-N 0 0 387.570 4.503 50 0 GJAARN COc1ccc(CCC(=O)Nc2ccc3nc(N4CCCC4)cc(C)c3c2)cc1 ZINC000033084598 570806092 /nfs/dbraw/zinc/80/60/92/570806092.db2.gz QZAZGBINIUPTSM-UHFFFAOYSA-N 0 0 389.499 4.723 50 0 GJAARN O=C(Nc1c(Cl)cccc1Cl)c1cccc(I)c1 ZINC000005944340 570807397 /nfs/dbraw/zinc/80/73/97/570807397.db2.gz LRLJAICZOMLHLW-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1nc2ccccc2nc1N1CCCCC1 ZINC000033086022 570808106 /nfs/dbraw/zinc/80/81/06/570808106.db2.gz DBZSRORIVFIXNJ-UHFFFAOYSA-N 0 0 384.842 4.665 50 0 GJAARN COc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000101093566 570809869 /nfs/dbraw/zinc/80/98/69/570809869.db2.gz JFUISQWDZVXOCQ-UHFFFAOYSA-N 0 0 393.443 4.800 50 0 GJAARN COc1ccc(NC(=O)N2CCc3c(c4ccccc4n3CC3CC3)C2)cc1 ZINC000034928473 570810126 /nfs/dbraw/zinc/81/01/26/570810126.db2.gz JXYWOUFMAFJWJY-UHFFFAOYSA-N 0 0 375.472 4.650 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106173 570810632 /nfs/dbraw/zinc/81/06/32/570810632.db2.gz BAKYLNIAAYENEE-UHFFFAOYSA-N 0 0 394.906 4.689 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C)s1)c1ccccc1 ZINC000005974498 570811104 /nfs/dbraw/zinc/81/11/04/570811104.db2.gz FHGYPWBMJMTXMP-FQEVSTJZSA-N 0 0 395.480 4.910 50 0 GJAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N[C@@H](C)CC)c3ccccc3n2)cc1 ZINC000033106235 570811108 /nfs/dbraw/zinc/81/11/08/570811108.db2.gz UBMCRKVNKAOPCV-HNNXBMFYSA-N 0 0 375.472 4.779 50 0 GJAARN CC(C)c1ccc(NC(=O)C2CCN(c3ccc(-n4cccc4)cn3)CC2)cc1 ZINC000033106207 570811152 /nfs/dbraw/zinc/81/11/52/570811152.db2.gz LDDYVFXMGXFYGD-UHFFFAOYSA-N 0 0 388.515 4.851 50 0 GJAARN COc1ccc(CSCCC(=O)Nc2cc(Cl)ccc2OC)cc1F ZINC000032778705 570811699 /nfs/dbraw/zinc/81/16/99/570811699.db2.gz CVELGQNYLIDBND-UHFFFAOYSA-N 0 0 383.872 4.758 50 0 GJAARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101096651 570812180 /nfs/dbraw/zinc/81/21/80/570812180.db2.gz YEYVWFHWEDQJBJ-UHFFFAOYSA-N 0 0 391.349 4.888 50 0 GJAARN CCc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000018258037 570812348 /nfs/dbraw/zinc/81/23/48/570812348.db2.gz MIFLDXRXAUNWQO-ULBZPVTCSA-N 0 0 379.459 4.646 50 0 GJAARN C[C@H]1CCc2sc3nc(NCc4ccccc4)n4c(=S)[nH]nc4c3c2C1 ZINC000005999334 570812918 /nfs/dbraw/zinc/81/29/18/570812918.db2.gz GNLUOWXNFVZWKB-NSHDSACASA-N 0 0 381.530 4.738 50 0 GJAARN O=S(=O)(Nc1ccc(-c2noc(CCC3CCCC3)n2)cc1)c1ccccc1 ZINC000033122815 570815271 /nfs/dbraw/zinc/81/52/71/570815271.db2.gz HRBNHRQHCZMDIF-UHFFFAOYSA-N 0 0 397.500 4.660 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2cccn2)cc1 ZINC000014020096 570815328 /nfs/dbraw/zinc/81/53/28/570815328.db2.gz WQZSIDOZVVGPAX-XMMPIXPASA-N 0 0 381.479 4.645 50 0 GJAARN CCCOc1c2cc(NC(=O)c3cccc(F)c3)ccc2sc1C(=O)OC ZINC000033123505 570815530 /nfs/dbraw/zinc/81/55/30/570815530.db2.gz DXRSRVJIGQXXGP-UHFFFAOYSA-N 0 0 387.432 4.868 50 0 GJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000032796613 570818662 /nfs/dbraw/zinc/81/86/62/570818662.db2.gz LXLSQMPRMOHNLJ-OAHLLOKOSA-N 0 0 394.496 4.842 50 0 GJAARN Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1 ZINC000014084075 570819520 /nfs/dbraw/zinc/81/95/20/570819520.db2.gz UNAJPONHKIEHHR-UHFFFAOYSA-N 0 0 389.377 4.944 50 0 GJAARN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]1c1cccs1 ZINC000032797667 570819853 /nfs/dbraw/zinc/81/98/53/570819853.db2.gz ZFHXGNDKKHTOQN-LBPRGKRZSA-N 0 0 395.855 4.946 50 0 GJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2ccccc2o1 ZINC000012482006 570821535 /nfs/dbraw/zinc/82/15/35/570821535.db2.gz ZKRYHEKGNXOKDO-UHFFFAOYSA-N 0 0 391.254 4.840 50 0 GJAARN O=C(Nc1c2cc(F)ccc2[nH]c1-c1cccnc1)Nc1ccc2c(c1)OCO2 ZINC000033130770 570821674 /nfs/dbraw/zinc/82/16/74/570821674.db2.gz YEEBOJDQAPOCDH-UHFFFAOYSA-N 0 0 390.374 4.742 50 0 GJAARN Cc1cc(Cl)cc(C)c1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012487605 570821806 /nfs/dbraw/zinc/82/18/06/570821806.db2.gz ZKDKVMNBNOTBDR-SFHVURJKSA-N 0 0 383.879 4.576 50 0 GJAARN CCOc1ccc(NC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1 ZINC000001223615 570822386 /nfs/dbraw/zinc/82/23/86/570822386.db2.gz UUSFTXDUBDYVLG-UHFFFAOYSA-N 0 0 393.468 4.691 50 0 GJAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1cc(C)ccc1C ZINC000004676950 570822714 /nfs/dbraw/zinc/82/27/14/570822714.db2.gz XVGGLGPYZCPWRD-UHFFFAOYSA-N 0 0 388.389 4.950 50 0 GJAARN CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007270688 570823014 /nfs/dbraw/zinc/82/30/14/570823014.db2.gz ISQRNDJBNDUVLT-FQEVSTJZSA-N 0 0 399.560 4.522 50 0 GJAARN O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000101459185 570823174 /nfs/dbraw/zinc/82/31/74/570823174.db2.gz NTZHBGGNRGJLQX-XISXUPMFSA-N 0 0 396.425 4.749 50 0 GJAARN O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000101459187 570823179 /nfs/dbraw/zinc/82/31/79/570823179.db2.gz NTZHBGGNRGJLQX-VPFXQZGESA-N 0 0 396.425 4.749 50 0 GJAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(Br)c1 ZINC000065492966 570825847 /nfs/dbraw/zinc/82/58/47/570825847.db2.gz PTYUOZOUQJIKAY-UHFFFAOYSA-N 0 0 395.300 4.995 50 0 GJAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]c2C)cc1OC ZINC000033139628 570825950 /nfs/dbraw/zinc/82/59/50/570825950.db2.gz MALQPJYSQFSROJ-UHFFFAOYSA-N 0 0 392.499 4.597 50 0 biogenic GJAARN C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012517237 570826185 /nfs/dbraw/zinc/82/61/85/570826185.db2.gz DCLDZHXUGRCKRD-LBPRGKRZSA-N 0 0 392.286 4.559 50 0 GJAARN C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc2ccccc2c1 ZINC000012522020 570828294 /nfs/dbraw/zinc/82/82/94/570828294.db2.gz DFOHEJROJGTERW-INIZCTEOSA-N 0 0 384.487 4.544 50 0 GJAARN S=c1n(CN2CCC[C@H]2c2cccs2)nc(-c2cccnc2)n1C1CC1 ZINC000014197104 570828575 /nfs/dbraw/zinc/82/85/75/570828575.db2.gz RILXYSRISKURDG-INIZCTEOSA-N 0 0 383.546 4.667 50 0 GJAARN Cc1ccccc1-n1nnnc1S[C@H](C)c1nc2ccccc2n1C(F)F ZINC000012525185 570829762 /nfs/dbraw/zinc/82/97/62/570829762.db2.gz APWHHEAMUSCRJI-GFCCVEGCSA-N 0 0 386.431 4.569 50 0 GJAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(Cl)cc2cccnc21 ZINC000012527183 570831402 /nfs/dbraw/zinc/83/14/02/570831402.db2.gz BHQGGKUGYIYTMW-UHFFFAOYSA-N 0 0 384.848 4.571 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000004687455 570831605 /nfs/dbraw/zinc/83/16/05/570831605.db2.gz OQAQPHJVAWDADM-NNLQFVHNSA-N 0 0 386.904 4.954 50 0 GJAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000014228312 570833165 /nfs/dbraw/zinc/83/31/65/570833165.db2.gz ARBCBHPPQJULAQ-LJQANCHMSA-N 0 0 394.496 4.837 50 0 GJAARN CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000101797213 570834990 /nfs/dbraw/zinc/83/49/90/570834990.db2.gz GVSJEPPYNGVYLX-SFHVURJKSA-N 0 0 393.878 4.582 50 0 GJAARN COc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3ccccc3)s2)cc1OC ZINC000065575100 570835506 /nfs/dbraw/zinc/83/55/06/570835506.db2.gz GRCANTZKVWYEKQ-UHFFFAOYSA-N 0 0 396.512 4.801 50 0 GJAARN CCn1c2ccccc2nc(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c1=O ZINC000033171731 570836193 /nfs/dbraw/zinc/83/61/93/570836193.db2.gz KHGLTGDXCAHWKD-UHFFFAOYSA-N 0 0 383.451 4.644 50 0 GJAARN Cc1ccc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)cc1Cl ZINC000033172393 570836609 /nfs/dbraw/zinc/83/66/09/570836609.db2.gz LEVTXVWMSDLAAG-UHFFFAOYSA-N 0 0 382.876 4.804 50 0 GJAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)CC(C)C)nn32)cc1 ZINC000101835632 570836854 /nfs/dbraw/zinc/83/68/54/570836854.db2.gz QBOKSHICCVNYGW-FQEVSTJZSA-N 0 0 387.487 4.627 50 0 GJAARN C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)c1cccc(Cl)c1 ZINC000012539646 570838619 /nfs/dbraw/zinc/83/86/19/570838619.db2.gz YNRJDJYDEBOJOO-CQSZACIVSA-N 0 0 383.831 4.973 50 0 GJAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000012539723 570838625 /nfs/dbraw/zinc/83/86/25/570838625.db2.gz FGCHRVSUMLXSQY-QGZVFWFLSA-N 0 0 389.455 4.508 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2N=C2CCC[C@H]2C1=O ZINC000101945762 570838791 /nfs/dbraw/zinc/83/87/91/570838791.db2.gz QSBKQROMSQKHRQ-CQSZACIVSA-N 0 0 381.863 4.506 50 0 GJAARN Cc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)c1C ZINC000101946612 570839089 /nfs/dbraw/zinc/83/90/89/570839089.db2.gz CQAKEWIEODROQJ-SFHVURJKSA-N 0 0 389.499 4.778 50 0 GJAARN O[C@@H](CSc1nnc2sc3ccccc3n12)c1ccccc1C(F)(F)F ZINC000060522685 570840251 /nfs/dbraw/zinc/84/02/51/570840251.db2.gz CFDWEZUMXYBWMY-ZDUSSCGKSA-N 0 0 395.431 4.789 50 0 GJAARN COc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1OC ZINC000012540968 570841131 /nfs/dbraw/zinc/84/11/31/570841131.db2.gz WSEVPLSJTUKRNO-UHFFFAOYSA-N 0 0 387.439 4.603 50 0 GJAARN Cc1ccc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc2c1C ZINC000007424802 570841367 /nfs/dbraw/zinc/84/13/67/570841367.db2.gz OZIUPSGGHQSNNZ-UHFFFAOYSA-N 0 0 396.541 4.908 50 0 GJAARN COc1cccc(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)c1 ZINC000007446509 570844433 /nfs/dbraw/zinc/84/44/33/570844433.db2.gz YNOBPPUBOPHIJG-UHFFFAOYSA-N 0 0 385.876 4.536 50 0 GJAARN Cc1ccccc1-n1c(SCc2ncon2)nnc1-c1ccc(Cl)cc1 ZINC000012543395 570844464 /nfs/dbraw/zinc/84/44/64/570844464.db2.gz QHMOEBHWNWGATC-UHFFFAOYSA-N 0 0 383.864 4.571 50 0 GJAARN COc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3ccc(OC)c(F)c3)o2)cc1 ZINC000032836943 570846343 /nfs/dbraw/zinc/84/63/43/570846343.db2.gz SRXLKQNTJWTQJW-HNNXBMFYSA-N 0 0 397.446 4.913 50 0 GJAARN CC(C)c1cc(C(=O)OCc2cc(-c3ccco3)on2)c2cnn(C(C)C)c2n1 ZINC000019131823 570846899 /nfs/dbraw/zinc/84/68/99/570846899.db2.gz PUVBLZLCPQEBHA-UHFFFAOYSA-N 0 0 394.431 4.741 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(O)cc3)c2n1 ZINC000018323257 570848795 /nfs/dbraw/zinc/84/87/95/570848795.db2.gz IPOSRPCOIUKAFI-UHFFFAOYSA-N 0 0 377.227 4.573 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1ccccc1OCCOc1ccccc1 ZINC000003279413 570848863 /nfs/dbraw/zinc/84/88/63/570848863.db2.gz BRIDJRKVSGNTPE-UHFFFAOYSA-N 0 0 381.859 4.728 50 0 GJAARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000102625460 570854741 /nfs/dbraw/zinc/85/47/41/570854741.db2.gz ADUZBXJVJSOBOG-RBZFPXEDSA-N 0 0 392.846 4.702 50 0 GJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1 ZINC000102666634 570856495 /nfs/dbraw/zinc/85/64/95/570856495.db2.gz NFUFBAQBJIGINC-KSFYIVLOSA-N 0 0 386.455 4.660 50 0 GJAARN Cc1ccccc1Nc1nc(N)nc(CN[C@@H](C)c2cccc3ccccc32)n1 ZINC000012552769 570856665 /nfs/dbraw/zinc/85/66/65/570856665.db2.gz FFHFFAMXLHKBFU-INIZCTEOSA-N 0 0 384.487 4.510 50 0 GJAARN Cc1ccc(Oc2ccc(OCC(=O)N3CCC[C@H]3c3cccnc3)cc2)cc1 ZINC000012553083 570856743 /nfs/dbraw/zinc/85/67/43/570856743.db2.gz OERAIMONJOFMLB-QHCPKHFHSA-N 0 0 388.467 4.925 50 0 GJAARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 ZINC000102641251 570856802 /nfs/dbraw/zinc/85/68/02/570856802.db2.gz SLEZNPUFOXUMPK-GOSISDBHSA-N 0 0 375.403 4.931 50 0 GJAARN Cc1cc(=O)oc2cc(NC(=O)COc3ccccc3-c3ccccc3)ccc12 ZINC000014722610 570857076 /nfs/dbraw/zinc/85/70/76/570857076.db2.gz IISSUCUYBOOWAS-UHFFFAOYSA-N 0 0 385.419 4.786 50 0 GJAARN CC(=O)N1CCC(N(C(=O)Nc2ccc(Cl)cc2)C2CCCCCC2)CC1 ZINC000004712736 570858325 /nfs/dbraw/zinc/85/83/25/570858325.db2.gz INVJCXRHWZAAII-UHFFFAOYSA-N 0 0 391.943 4.908 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c(Br)c1 ZINC000033254303 570858766 /nfs/dbraw/zinc/85/87/66/570858766.db2.gz ZEJSJPIOHMUHMN-UHFFFAOYSA-N 0 0 398.260 4.937 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1OC ZINC000033254340 570858883 /nfs/dbraw/zinc/85/88/83/570858883.db2.gz XOPOWQPEKNAVRY-UHFFFAOYSA-N 0 0 393.443 4.664 50 0 GJAARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000102731839 570859521 /nfs/dbraw/zinc/85/95/21/570859521.db2.gz CMFRLIYHLHJQDY-QGZVFWFLSA-N 0 0 398.459 4.859 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2cccc(F)c2)no1 ZINC000033250433 570859645 /nfs/dbraw/zinc/85/96/45/570859645.db2.gz AFNQXJQIYLEITO-UHFFFAOYSA-N 0 0 391.855 4.709 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccccc1)c1ccccn1 ZINC000012558245 570860460 /nfs/dbraw/zinc/86/04/60/570860460.db2.gz VEBMZWLORLPFHA-HSZRJFAPSA-N 0 0 397.478 4.579 50 0 GJAARN C[C@@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000012558940 570860795 /nfs/dbraw/zinc/86/07/95/570860795.db2.gz AJUIKZCNKARRHI-MRXNPFEDSA-N 0 0 386.455 4.563 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3ccc(-c4noc(CC)n4)cc3)sc2c1 ZINC000033254195 570862425 /nfs/dbraw/zinc/86/24/25/570862425.db2.gz LHCJCLVSAJSGLL-UHFFFAOYSA-N 0 0 394.456 4.560 50 0 GJAARN COc1ccc(Cc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1OC ZINC000033255404 570863055 /nfs/dbraw/zinc/86/30/55/570863055.db2.gz KOGYMKKLRUACRK-UHFFFAOYSA-N 0 0 393.487 4.581 50 0 GJAARN CC(C)CNC(=O)Nc1cccc(-c2noc(-c3ccc4cc[nH]c4c3)n2)c1 ZINC000033257569 570864266 /nfs/dbraw/zinc/86/42/66/570864266.db2.gz REIPBDDPCAIUBH-UHFFFAOYSA-N 0 0 375.432 4.662 50 0 GJAARN Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000102850420 570867717 /nfs/dbraw/zinc/86/77/17/570867717.db2.gz PWSSKSYDSPYWTM-RDTXWAMCSA-N 0 0 384.549 4.750 50 0 GJAARN Cc1oc(-c2ccccc2C)nc1CN(C)[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000014973216 570867890 /nfs/dbraw/zinc/86/78/90/570867890.db2.gz QWEWXSFBBZPKFA-INIZCTEOSA-N 0 0 378.472 4.923 50 0 GJAARN O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccoc1 ZINC000014993952 570870301 /nfs/dbraw/zinc/87/03/01/570870301.db2.gz MPFJTGYTJGBYBQ-HNNXBMFYSA-N 0 0 387.357 4.699 50 0 GJAARN CCCCC[C@H](C)NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000007535424 570871485 /nfs/dbraw/zinc/87/14/85/570871485.db2.gz WZMNOOMNDLYLBF-LBPRGKRZSA-N 0 0 382.530 4.598 50 0 GJAARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccccc1 ZINC000015011589 570871488 /nfs/dbraw/zinc/87/14/88/570871488.db2.gz RRSQNBSAITWQGB-LFIBNONCSA-N 0 0 385.466 4.634 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000007538345 570872284 /nfs/dbraw/zinc/87/22/84/570872284.db2.gz FACRPHXJCVGBGW-GFCCVEGCSA-N 0 0 394.418 4.914 50 0 GJAARN Cc1cc(S(=O)(=O)NC2CCCCCC2)c(C(C)C)cc1Br ZINC000170615085 570873360 /nfs/dbraw/zinc/87/33/60/570873360.db2.gz LFYWDRMEUZYMQF-UHFFFAOYSA-N 0 0 388.371 4.882 50 0 GJAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccoc1 ZINC000012574532 570875391 /nfs/dbraw/zinc/87/53/91/570875391.db2.gz CUOOTTJOVWZBLD-QGZVFWFLSA-N 0 0 385.345 4.694 50 0 GJAARN CCN(Cc1cccc(Nc2nc(-c3cccnc3)nc3ccccc32)c1)C(C)=O ZINC000170618119 570875440 /nfs/dbraw/zinc/87/54/40/570875440.db2.gz BVEFDYVYUJPDIH-UHFFFAOYSA-N 0 0 397.482 4.804 50 0 GJAARN Cc1cc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1C(C)C ZINC000012577558 570875770 /nfs/dbraw/zinc/87/57/70/570875770.db2.gz XUIYITNMFBUAFA-NRFANRHFSA-N 0 0 377.488 4.737 50 0 GJAARN CNc1snc(C)c1C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000170621590 570877378 /nfs/dbraw/zinc/87/73/78/570877378.db2.gz SVNNKYXQTQKZAO-JTQLQIEISA-N 0 0 390.509 4.555 50 0 GJAARN Cc1ccc(OCCCCn2c(CCNC(=O)C(C)C)nc3ccccc32)cc1 ZINC000007545432 570877756 /nfs/dbraw/zinc/87/77/56/570877756.db2.gz MZFDAGAHRBDCKG-UHFFFAOYSA-N 0 0 393.531 4.519 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc3c(c1)OCO3)SC(C)=N2 ZINC000015084941 570879826 /nfs/dbraw/zinc/87/98/26/570879826.db2.gz YQMVIJOFYICFTP-LJQANCHMSA-N 0 0 381.432 4.935 50 0 GJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc(-c2ccccc2F)s1 ZINC000036392966 570880774 /nfs/dbraw/zinc/88/07/74/570880774.db2.gz LYYTWSUAISSGHX-DHZHZOJOSA-N 0 0 395.455 4.955 50 0 GJAARN CC(C)COc1ncccc1C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000170624972 570880898 /nfs/dbraw/zinc/88/08/98/570880898.db2.gz MINZOADFWQSDCT-UHFFFAOYSA-N 0 0 395.478 4.757 50 0 GJAARN Cc1cc(C(=O)NCc2cn3cccc(C)c3n2)c(C)n1[C@@H](C)c1ccccc1 ZINC000170624946 570881059 /nfs/dbraw/zinc/88/10/59/570881059.db2.gz KPXGIHOWKNAQFY-SFHVURJKSA-N 0 0 386.499 4.600 50 0 GJAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3)C2=O)cc1C ZINC000004555243 570882080 /nfs/dbraw/zinc/88/20/80/570882080.db2.gz GWJOUABBWXGQED-SANMLTNESA-N 0 0 399.490 4.619 50 0 GJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCCC3=CCCCC3)c2)C1 ZINC000033264286 570883317 /nfs/dbraw/zinc/88/33/17/570883317.db2.gz TWFNWIIAGSNOBC-QFIPXVFZSA-N 0 0 397.563 4.604 50 0 GJAARN O=C(Cc1cccc2ccccc21)Nc1ccnn1Cc1ccccc1Cl ZINC000012595130 570884447 /nfs/dbraw/zinc/88/44/47/570884447.db2.gz JURHLGOKLQAVSA-UHFFFAOYSA-N 0 0 375.859 4.919 50 0 GJAARN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000170629071 570884738 /nfs/dbraw/zinc/88/47/38/570884738.db2.gz FIJOJDKKZICKQI-YOEHRIQHSA-N 0 0 397.425 4.598 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000009909453 570886833 /nfs/dbraw/zinc/88/68/33/570886833.db2.gz PIQOXBTWMUFDDZ-KRWDZBQOSA-N 0 0 384.863 4.760 50 0 GJAARN Cc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267854 570889615 /nfs/dbraw/zinc/88/96/15/570889615.db2.gz CORRYBIIDGBJLA-OAQYLSRUSA-N 0 0 384.483 4.835 50 0 GJAARN CN(C(=O)NCc1cccc(COCc2ccccc2)c1)C(C1CC1)C1CC1 ZINC000051272258 570889939 /nfs/dbraw/zinc/88/99/39/570889939.db2.gz CRHDQYVPVBVRDK-UHFFFAOYSA-N 0 0 378.516 4.733 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccs3)C[C@H]21 ZINC000010216149 570892282 /nfs/dbraw/zinc/89/22/82/570892282.db2.gz MIFOYGKZZZWSPE-UTKZUKDTSA-N 0 0 377.469 4.784 50 0 GJAARN COC(=O)N1CCC(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c32)CC1 ZINC000071824457 570894358 /nfs/dbraw/zinc/89/43/58/570894358.db2.gz RYBGUMGVGQNFSZ-UHFFFAOYSA-N 0 0 396.516 4.618 50 0 GJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1N1CCCC1 ZINC000014779461 570894468 /nfs/dbraw/zinc/89/44/68/570894468.db2.gz VSKLUGMFYNYQCN-UHFFFAOYSA-N 0 0 397.425 4.791 50 0 GJAARN CCOc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900605 570894900 /nfs/dbraw/zinc/89/49/00/570894900.db2.gz KKGDLWCXIVHWGO-UHFFFAOYSA-N 0 0 375.428 4.982 50 0 GJAARN CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)n1 ZINC000249680105 570896492 /nfs/dbraw/zinc/89/64/92/570896492.db2.gz AGPNLNWYOUSSOT-FOVBHJOSSA-N 0 0 378.516 4.519 50 0 GJAARN Cc1cccc(-c2nc(CCNC(=O)COc3ccc(Cl)cc3)cs2)c1 ZINC000004570840 570896504 /nfs/dbraw/zinc/89/65/04/570896504.db2.gz ZALMSGANHVDQIG-UHFFFAOYSA-N 0 0 386.904 4.510 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1C ZINC000022490771 570899434 /nfs/dbraw/zinc/89/94/34/570899434.db2.gz XBKNPJPTZBEWKW-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccccc1-n1cc(CN(C)C(=O)N[C@H](CC(C)C)c2cccnc2)cn1 ZINC000534581285 570903162 /nfs/dbraw/zinc/90/31/62/570903162.db2.gz QQPSEHBDAYYRNK-OAQYLSRUSA-N 0 0 391.519 4.505 50 0 GJAARN Cc1cc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1N1CCCC1=O ZINC000104739359 570903436 /nfs/dbraw/zinc/90/34/36/570903436.db2.gz UOKJHQZQACXNNY-LKUPVBHCSA-N 0 0 386.536 4.538 50 0 GJAARN COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004576686 570903957 /nfs/dbraw/zinc/90/39/57/570903957.db2.gz PRDAMDZKOZLHOT-LLVKDONJSA-N 0 0 381.881 4.519 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)C3=COCCO3)sc2-c2ccc(C)cc2)cc1 ZINC000014502123 570905605 /nfs/dbraw/zinc/90/56/05/570905605.db2.gz WDFJWQNHAWWPOU-UHFFFAOYSA-N 0 0 392.480 4.921 50 0 GJAARN CCSc1nn(C(C)C)c2nc3c(c(=O)n12)C(CC)(CC)Cc1ccccc1-3 ZINC000015839509 570906308 /nfs/dbraw/zinc/90/63/08/570906308.db2.gz BPHDPBKVOMGCMZ-UHFFFAOYSA-N 0 0 396.560 4.865 50 0 GJAARN CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1 ZINC000014609638 570906322 /nfs/dbraw/zinc/90/63/22/570906322.db2.gz DOXZCKHAUZQCJG-UHFFFAOYSA-N 0 0 398.466 4.894 50 0 GJAARN CC(C)c1c(C(=O)N[C@@H](C)CCc2ccco2)cnn1-c1cccc(Cl)c1 ZINC000023109352 570907314 /nfs/dbraw/zinc/90/73/14/570907314.db2.gz DYIDBYXKBWGWDH-HNNXBMFYSA-N 0 0 385.895 4.993 50 0 GJAARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000004026722 570907444 /nfs/dbraw/zinc/90/74/44/570907444.db2.gz QZDICFWNRZAVJB-QFCRKXLFSA-N 0 0 386.532 4.768 50 0 biogenic GJAARN Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccncc3)ccc2n1-c1ccccc1 ZINC000032907457 570907559 /nfs/dbraw/zinc/90/75/59/570907559.db2.gz SJRJZNDFCZBQKC-QFIPXVFZSA-N 0 0 382.467 4.706 50 0 GJAARN CC(=O)N1CC2=C(C1=O)[C@H](C1CCCCC1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263584926 570907861 /nfs/dbraw/zinc/90/78/61/570907861.db2.gz CEWCMMOZSACDDB-OAQYLSRUSA-N 0 0 391.515 4.954 50 0 biogenic GJAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cccc(-c3csc(C(N)=O)c3)c1)C2 ZINC000534646765 570910080 /nfs/dbraw/zinc/91/00/80/570910080.db2.gz XDEOVNBGWIMGQY-VGOFRKELSA-N 0 0 382.529 4.555 50 0 GJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2ncon2)c1 ZINC000078726123 570910435 /nfs/dbraw/zinc/91/04/35/570910435.db2.gz JXGKBGIUNRYGET-UHFFFAOYSA-N 0 0 394.818 4.616 50 0 GJAARN Cc1cccc(CSc2nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o2)c1 ZINC000016033360 570912306 /nfs/dbraw/zinc/91/23/06/570912306.db2.gz VKFXJKTUEMAAKB-OAHLLOKOSA-N 0 0 377.510 4.892 50 0 GJAARN O=C(Nc1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)cc1)c1ccco1 ZINC000032909748 570912331 /nfs/dbraw/zinc/91/23/31/570912331.db2.gz XUZQCUUPDBDULO-UHFFFAOYSA-N 0 0 391.814 4.986 50 0 GJAARN CCc1c(C)nc(SCc2nc(-c3ccc(Cl)cc3)oc2C)[nH]c1=O ZINC000016840805 570912955 /nfs/dbraw/zinc/91/29/55/570912955.db2.gz UZWFEYZBIBINSH-UHFFFAOYSA-N 0 0 375.881 4.962 50 0 GJAARN O=S(=O)(Oc1ccccc1Cl)c1ccc(Br)cc1Cl ZINC000016089607 570913865 /nfs/dbraw/zinc/91/38/65/570913865.db2.gz PGMSKXCPPCXFGN-UHFFFAOYSA-N 0 0 382.062 4.524 50 0 GJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCc4ccc(O)cc4C3)cs2)cc1 ZINC000089893454 570918144 /nfs/dbraw/zinc/91/81/44/570918144.db2.gz JGEMZSPEPXMLAL-UHFFFAOYSA-N 0 0 378.497 4.838 50 0 GJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccccc2-n2cccn2)cc1OCC ZINC000032912894 570918357 /nfs/dbraw/zinc/91/83/57/570918357.db2.gz JTEQPPYRQAIYKU-UHFFFAOYSA-N 0 0 399.878 4.966 50 0 GJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1Cl ZINC000016227073 570918471 /nfs/dbraw/zinc/91/84/71/570918471.db2.gz OPYXDCRVNBAWDJ-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN CC[C@H]1COCCN1C(=O)c1cccc(-c2ccnc3ccc(Cl)cc32)c1 ZINC000534662677 570922263 /nfs/dbraw/zinc/92/22/63/570922263.db2.gz NSQUAUSRXJDBKS-SFHVURJKSA-N 0 0 380.875 4.806 50 0 GJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000017013110 570924064 /nfs/dbraw/zinc/92/40/64/570924064.db2.gz NONWPXDOTHWSRA-UHFFFAOYSA-N 0 0 396.882 4.892 50 0 GJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1 ZINC000017026404 570924536 /nfs/dbraw/zinc/92/45/36/570924536.db2.gz LGAFSASHXIAXLG-UHFFFAOYSA-N 0 0 390.491 4.855 50 0 GJAARN Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 ZINC000017135369 570928168 /nfs/dbraw/zinc/92/81/68/570928168.db2.gz BRFRWARSKVPHCI-UHFFFAOYSA-N 0 0 385.876 4.538 50 0 GJAARN C[S@@](=O)Cc1ccc(Cl)c(NCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000133903557 570929493 /nfs/dbraw/zinc/92/94/93/570929493.db2.gz RCUKOCLZGJTNLP-VWLOTQADSA-N 0 0 396.299 4.534 50 0 GJAARN C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3Cl)c(C(N)=O)c2C1 ZINC000004072612 570929839 /nfs/dbraw/zinc/92/98/39/570929839.db2.gz WGKRKOHOIQWOOL-MRVPVSSYSA-N 0 0 383.300 4.531 50 0 GJAARN CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004074093 570930315 /nfs/dbraw/zinc/93/03/15/570930315.db2.gz GVIBMJZVMHMBKI-FSSNKTKLSA-N 0 0 384.516 4.733 50 0 biogenic GJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1C ZINC000000941817 570930335 /nfs/dbraw/zinc/93/03/35/570930335.db2.gz SRTXGFYMODHUGY-UHFFFAOYSA-N 0 0 395.480 4.918 50 0 GJAARN COC(=O)c1occc1CSc1nnc(Nc2cccc(C)c2C)s1 ZINC000012639044 570932536 /nfs/dbraw/zinc/93/25/36/570932536.db2.gz ZNJNECHCFFRDJY-UHFFFAOYSA-N 0 0 375.475 4.570 50 0 GJAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000016751159 570932697 /nfs/dbraw/zinc/93/26/97/570932697.db2.gz LIGIZENDWPXABI-KRWDZBQOSA-N 0 0 398.256 4.511 50 0 GJAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000016751161 570932725 /nfs/dbraw/zinc/93/27/25/570932725.db2.gz LIGIZENDWPXABI-QGZVFWFLSA-N 0 0 398.256 4.511 50 0 GJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCC)c1 ZINC000016806368 570933603 /nfs/dbraw/zinc/93/36/03/570933603.db2.gz OGZGKUMOWFVUQQ-HXUWFJFHSA-N 0 0 377.440 4.537 50 0 GJAARN O=S(=O)(Nc1ccc(Oc2cccnc2)cc1)c1ccc2ccccc2c1 ZINC000004872242 570934171 /nfs/dbraw/zinc/93/41/71/570934171.db2.gz CMLCTQXYJNXCEP-UHFFFAOYSA-N 0 0 376.437 4.828 50 0 GJAARN O=S(=O)(N[C@H]1CCCC[C@H]1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000002877429 570934312 /nfs/dbraw/zinc/93/43/12/570934312.db2.gz ZCZSDKGNECAPBF-ZWKOTPCHSA-N 0 0 381.950 4.722 50 0 GJAARN CCc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016884409 570934515 /nfs/dbraw/zinc/93/45/15/570934515.db2.gz RJGIZSRUJBFVTC-UHFFFAOYSA-N 0 0 386.495 4.893 50 0 GJAARN Cc1c(C(=O)OCc2cccc(Cl)c2)nnn1-c1ccc(C)c(Cl)c1 ZINC000046847160 570935001 /nfs/dbraw/zinc/93/50/01/570935001.db2.gz ILIYSTYCQJYBPA-UHFFFAOYSA-N 0 0 376.243 4.548 50 0 GJAARN CCOc1ccc(OCC)c(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)c1 ZINC000046914109 570936506 /nfs/dbraw/zinc/93/65/06/570936506.db2.gz NIBRMLQHVWIBBK-UHFFFAOYSA-N 0 0 393.447 4.542 50 0 GJAARN COc1ccc(-c2noc(-c3cc(-c4cccc(Br)c4)[nH]n3)n2)cc1 ZINC000046914128 570936517 /nfs/dbraw/zinc/93/65/17/570936517.db2.gz SXHJRVSQXRSUIT-UHFFFAOYSA-N 0 0 397.232 4.565 50 0 GJAARN CC(C)(C(=O)Nc1cccc(N2CCCCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000170636742 570936691 /nfs/dbraw/zinc/93/66/91/570936691.db2.gz PXGDADNGFLRJOZ-UHFFFAOYSA-N 0 0 394.515 4.755 50 0 GJAARN O=C1OC=C2Nc3ccc4ccccc4c3[C@H](c3ccc(Br)cc3)C12 ZINC000004134366 570937245 /nfs/dbraw/zinc/93/72/45/570937245.db2.gz VYIKVKUSDVMANC-SFHVURJKSA-N 0 0 392.252 4.971 50 0 GJAARN CCCOc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1OCC ZINC000002092331 570940117 /nfs/dbraw/zinc/94/01/17/570940117.db2.gz ANRCHHSOIGDXDO-SFQUDFHCSA-N 0 0 385.847 4.872 50 0 GJAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc2ccccc21 ZINC000007720697 570940756 /nfs/dbraw/zinc/94/07/56/570940756.db2.gz HPRXIJWSWMFWLU-UHFFFAOYSA-N 0 0 387.439 4.561 50 0 GJAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(SCc2cccnc2)cc1 ZINC000047189279 570947561 /nfs/dbraw/zinc/94/75/61/570947561.db2.gz TWHCPDGOMUETSK-DYESRHJHSA-N 0 0 384.545 4.699 50 0 GJAARN O=C(CCn1ccc2cc(Br)ccc21)Nc1ccc2cc[nH]c2c1 ZINC000012664621 570947970 /nfs/dbraw/zinc/94/79/70/570947970.db2.gz HJPYQPTXJQXSOK-UHFFFAOYSA-N 0 0 382.261 4.914 50 0 biogenic GJAARN O=C1N2CCCN2[C@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1 ZINC000001240450 570948434 /nfs/dbraw/zinc/94/84/34/570948434.db2.gz KIPKGCNYOBOCLJ-INIZCTEOSA-N 0 0 392.684 4.664 50 0 GJAARN CSCC[C@H](NC(=O)Cc1c(F)cccc1Cl)c1nc2ccccc2[nH]1 ZINC000012681052 570948950 /nfs/dbraw/zinc/94/89/50/570948950.db2.gz JXVHUSAUMWPYQR-KRWDZBQOSA-N 0 0 391.899 4.509 50 0 GJAARN COc1ccccc1-c1csc(NC(=O)Cc2c(F)cccc2Cl)n1 ZINC000106174574 570949394 /nfs/dbraw/zinc/94/93/94/570949394.db2.gz MYYZUEADYVKLKE-UHFFFAOYSA-N 0 0 376.840 4.792 50 0 GJAARN CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001248655 570950297 /nfs/dbraw/zinc/95/02/97/570950297.db2.gz VJMRAHHHXOOKSA-HNNXBMFYSA-N 0 0 386.542 4.575 50 0 GJAARN C[S@@](=O)Cc1ccccc1NC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000585138618 570950969 /nfs/dbraw/zinc/95/09/69/570950969.db2.gz OPIGOECOROYZPL-HHHXNRCGSA-N 0 0 386.492 4.568 50 0 GJAARN Cc1cccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)c1 ZINC000033276412 570951816 /nfs/dbraw/zinc/95/18/16/570951816.db2.gz SPGLAKCINCWXMO-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1 ZINC000263615853 570953480 /nfs/dbraw/zinc/95/34/80/570953480.db2.gz FNZUXVUIFLUTKQ-SFHVURJKSA-N 0 0 378.819 4.525 50 0 GJAARN Clc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)c1 ZINC000263618911 570955164 /nfs/dbraw/zinc/95/51/64/570955164.db2.gz WCKBUEONVNHGOS-GOSISDBHSA-N 0 0 378.819 4.525 50 0 GJAARN O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1CN(Cc1ccccc1)CC2 ZINC000033287240 570955358 /nfs/dbraw/zinc/95/53/58/570955358.db2.gz ZYOMWARSHDKRRO-UHFFFAOYSA-N 0 0 397.931 4.686 50 0 GJAARN COc1ccc(C)cc1NC(=O)CSc1nccnc1Sc1ccccc1 ZINC000033288880 570956111 /nfs/dbraw/zinc/95/61/11/570956111.db2.gz HKAFPDJILSEHGZ-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)NC2CC2)cc1 ZINC000033289211 570956428 /nfs/dbraw/zinc/95/64/28/570956428.db2.gz CAWHRIVXSADMDD-UHFFFAOYSA-N 0 0 377.469 4.621 50 0 GJAARN Cc1cccc(Sc2nccnc2SCC(=O)NCc2ccccc2C)c1 ZINC000033289092 570956511 /nfs/dbraw/zinc/95/65/11/570956511.db2.gz ZMKREWPHLPFCPM-UHFFFAOYSA-N 0 0 395.553 4.653 50 0 GJAARN Cc1ccc(Oc2nccnc2Sc2ccccc2C(=O)N2CCCC2)cc1 ZINC000033289207 570956525 /nfs/dbraw/zinc/95/65/25/570956525.db2.gz STOYGGRDXKBCKB-UHFFFAOYSA-N 0 0 391.496 4.965 50 0 GJAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)c1 ZINC000033290456 570958128 /nfs/dbraw/zinc/95/81/28/570958128.db2.gz ZJKNOOLRQPPGEK-INIZCTEOSA-N 0 0 386.455 4.540 50 0 GJAARN O=C(Cn1cccn1)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1 ZINC000208007129 570960787 /nfs/dbraw/zinc/96/07/87/570960787.db2.gz CKURYPVLUDVICX-UHFFFAOYSA-N 0 0 393.447 4.528 50 0 GJAARN 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CC(C)c1csc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)n1 ZINC000084630761 571028260 /nfs/dbraw/zinc/02/82/60/571028260.db2.gz LBEMEBHCUSWORG-ZDUSSCGKSA-N 0 0 387.530 4.702 50 0 GJAARN CCn1c(C(=O)N(C)Cc2ccccc2)cc2sc(Br)cc21 ZINC000037541745 571029386 /nfs/dbraw/zinc/02/93/86/571029386.db2.gz FPQDPZKJQVKBGK-UHFFFAOYSA-N 0 0 377.307 4.757 50 0 GJAARN COc1ccc([C@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 ZINC000007741515 571030595 /nfs/dbraw/zinc/03/05/95/571030595.db2.gz OMQZLBIUQCJQHL-GOSISDBHSA-N 0 0 399.878 4.744 50 0 GJAARN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037560753 571031737 /nfs/dbraw/zinc/03/17/37/571031737.db2.gz FOFDXVAXSFASGC-UHFFFAOYSA-N 0 0 390.449 4.758 50 0 GJAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)s2)cc1C ZINC000007754636 571032077 /nfs/dbraw/zinc/03/20/77/571032077.db2.gz LNJJLKPUBUXDJV-UHFFFAOYSA-N 0 0 399.497 4.602 50 0 GJAARN O=C(COC(=O)CCC1CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007777401 571035791 /nfs/dbraw/zinc/03/57/91/571035791.db2.gz 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CCOc1ccc(-n2ccnc(SCc3c(F)cccc3Cl)c2=O)cc1 ZINC000017315362 210209536 /nfs/dbraw/zinc/20/95/36/210209536.db2.gz RODATDJPJPYFBQ-UHFFFAOYSA-N 0 0 390.867 4.716 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nnc(CC(C)C)s1 ZINC000017341775 210209549 /nfs/dbraw/zinc/20/95/49/210209549.db2.gz PQZJHOQNNHKXPL-UHFFFAOYSA-N 0 0 376.482 4.560 50 0 GJAARN O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1cccc2ccccc21 ZINC000017201183 210208083 /nfs/dbraw/zinc/20/80/83/210208083.db2.gz ZQNVDGUFZDXEHA-UHFFFAOYSA-N 0 0 394.500 4.542 50 0 GJAARN CC[C@H](C)Nc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(OC)cc2)n1 ZINC000017268824 210207664 /nfs/dbraw/zinc/20/76/64/210207664.db2.gz WXCMCOPADIDFGI-HNNXBMFYSA-N 0 0 388.475 4.778 50 0 GJAARN CCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccccc2)no1 ZINC000016843269 210199289 /nfs/dbraw/zinc/19/92/89/210199289.db2.gz YWHBSDGZFSCSOG-UHFFFAOYSA-N 0 0 398.513 4.600 50 0 GJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4)nccn3n2)cc1 ZINC000016841606 210197874 /nfs/dbraw/zinc/19/78/74/210197874.db2.gz ZTSMXYRZLMOEFH-UHFFFAOYSA-N 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CCOc1ccc(CC(=O)Nc2ccc(Cl)c3cccnc23)cc1OCC ZINC000015865819 210176059 /nfs/dbraw/zinc/17/60/59/210176059.db2.gz PBAIRJQVFQTPLD-UHFFFAOYSA-N 0 0 384.863 4.867 50 0 GJAARN COc1ccccc1-n1cc2c(c(=O)n(-c3ccccc3)n2C)c1-c1ccccc1 ZINC000015858698 210174693 /nfs/dbraw/zinc/17/46/93/210174693.db2.gz SBDLRKYYTPSFGJ-UHFFFAOYSA-N 0 0 395.462 4.796 50 0 GJAARN Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 ZINC000015832565 210172919 /nfs/dbraw/zinc/17/29/19/210172919.db2.gz ADIQKPRYPQXDRX-AWEZNQCLSA-N 0 0 386.904 4.856 50 0 GJAARN CCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 ZINC000015838582 210172875 /nfs/dbraw/zinc/17/28/75/210172875.db2.gz TZMLSNVNBCUOJG-UHFFFAOYSA-N 0 0 383.831 4.835 50 0 GJAARN Cc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1C ZINC000015826954 210172431 /nfs/dbraw/zinc/17/24/31/210172431.db2.gz ALBVFMKOADIUPF-UHFFFAOYSA-N 0 0 392.480 4.639 50 0 GJAARN O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015830798 210172281 /nfs/dbraw/zinc/17/22/81/210172281.db2.gz 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210142913 /nfs/dbraw/zinc/14/29/13/210142913.db2.gz YYTJGHPMJXOERP-GOSISDBHSA-N 0 0 388.305 4.931 50 0 GJAARN Cc1ccc(-n2cc(CN(C)Cc3ccon3)c(-c3ccc(F)cc3)n2)cc1 ZINC000014973172 210136654 /nfs/dbraw/zinc/13/66/54/210136654.db2.gz DLLOZODICKDDQS-UHFFFAOYSA-N 0 0 376.435 4.607 50 0 GJAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)CC1CCCC1)O2 ZINC000014950879 210131027 /nfs/dbraw/zinc/13/10/27/210131027.db2.gz NSYLQXNUKSHDLN-FQEVSTJZSA-N 0 0 377.484 4.556 50 0 GJAARN COc1cc(OC)c(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1Cl ZINC000014716422 210124177 /nfs/dbraw/zinc/12/41/77/210124177.db2.gz DNJDITVTTHYWHZ-UHFFFAOYSA-N 0 0 384.863 4.703 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccccc2)cc1 ZINC000014609820 210121147 /nfs/dbraw/zinc/12/11/47/210121147.db2.gz NQUASVYKMKHFNY-UHFFFAOYSA-N 0 0 398.466 4.812 50 0 GJAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2Cl)cc1 ZINC000014610598 210121280 /nfs/dbraw/zinc/12/12/80/210121280.db2.gz JNDILCSTGFHKCC-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN O=C(NCc1ccnc(-c2cccs2)c1)c1cccc(Oc2ccccn2)c1 ZINC000253473754 222742128 /nfs/dbraw/zinc/74/21/28/222742128.db2.gz YCGBEWGCNWRTKW-UHFFFAOYSA-N 0 0 387.464 4.927 50 0 GJAARN Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000014256596 210114378 /nfs/dbraw/zinc/11/43/78/210114378.db2.gz BUDAWFWGKROJJG-UHFFFAOYSA-N 0 0 382.323 4.856 50 0 GJAARN CN(C)C(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000014246882 210112151 /nfs/dbraw/zinc/11/21/51/210112151.db2.gz RXOGQSVTCRXBJY-UHFFFAOYSA-N 0 0 388.496 4.672 50 0 GJAARN CCn1c(=S)n(CN2CCC(c3nc4ccccc4s3)CC2)nc1C1CC1 ZINC000014197100 210109692 /nfs/dbraw/zinc/10/96/92/210109692.db2.gz BGFLJCCRECRILM-UHFFFAOYSA-N 0 0 399.589 4.758 50 0 GJAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000014095515 210104491 /nfs/dbraw/zinc/10/44/91/210104491.db2.gz WCXVZCIDUNVTKV-KRWDZBQOSA-N 0 0 381.907 4.854 50 0 GJAARN C[C@@H](NC(=O)CSc1nnc(C2CC2)o1)c1ccc(-c2ccccc2)cc1 ZINC000014141915 210106350 /nfs/dbraw/zinc/10/63/50/210106350.db2.gz 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CCN(CC)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000012564920 209976936 /nfs/dbraw/zinc/97/69/36/209976936.db2.gz OUJMWMQPFCRVNZ-UHFFFAOYSA-N 0 0 384.480 4.772 50 0 GJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)COc1cccc2ccccc21 ZINC000012535213 209969478 /nfs/dbraw/zinc/96/94/78/209969478.db2.gz HTDGILXIBQJWAS-UHFFFAOYSA-N 0 0 395.409 4.622 50 0 GJAARN O=C(CSc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012449028 209959891 /nfs/dbraw/zinc/95/98/91/209959891.db2.gz RXFGTKLHEFTBHO-XMMPIXPASA-N 0 0 399.519 4.829 50 0 GJAARN COc1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)Cc2ccccc2)cc1 ZINC000012420673 209952146 /nfs/dbraw/zinc/95/21/46/209952146.db2.gz MTNWNLGRIBZIDH-UHFFFAOYSA-N 0 0 391.442 4.831 50 0 GJAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1cccs1 ZINC000012342085 209942940 /nfs/dbraw/zinc/94/29/40/209942940.db2.gz IHPLWXMZHMPDQM-UHFFFAOYSA-N 0 0 395.871 4.720 50 0 GJAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000011667296 209879085 /nfs/dbraw/zinc/87/90/85/209879085.db2.gz 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CCc1ccc(-c2noc(CSc3nnc(-c4ccc(C)cc4)n3C)n2)cc1 ZINC000008944337 209807298 /nfs/dbraw/zinc/80/72/98/209807298.db2.gz RBSJZIACEPLADT-UHFFFAOYSA-N 0 0 391.500 4.695 50 0 GJAARN Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2)n1 ZINC000008664934 209791873 /nfs/dbraw/zinc/79/18/73/209791873.db2.gz VFBHGJZQGKIPHM-QFIPXVFZSA-N 0 0 396.446 4.863 50 0 GJAARN Cc1ccc(C(=O)N2CCC(C)CC2)cc1NC(=O)c1nsc2ccccc21 ZINC000008599998 209788218 /nfs/dbraw/zinc/78/82/18/209788218.db2.gz QMHUQDPSDGRVRO-UHFFFAOYSA-N 0 0 393.512 4.729 50 0 GJAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(Cc2ccccc2)c1=O ZINC000008587489 209786415 /nfs/dbraw/zinc/78/64/15/209786415.db2.gz GASLTSGJBFXISD-UHFFFAOYSA-N 0 0 397.478 4.769 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)CSc2ccc(F)cc2)cc1OCC ZINC000008294607 209772374 /nfs/dbraw/zinc/77/23/74/209772374.db2.gz NSGGRWMUCNIRHS-AWEZNQCLSA-N 0 0 377.481 4.593 50 0 GJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007779087 209745750 /nfs/dbraw/zinc/74/57/50/209745750.db2.gz 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Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002265295 209353730 /nfs/dbraw/zinc/35/37/30/209353730.db2.gz OAOOTXUCBIRTTA-UHFFFAOYSA-N 0 0 386.455 4.645 50 0 GJAARN CCOC(=O)c1cc2cc(Oc3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1 ZINC000002273172 209353755 /nfs/dbraw/zinc/35/37/55/209353755.db2.gz SLDAFYOJKSJRJA-UHFFFAOYSA-N 0 0 392.411 4.795 50 0 GJAARN CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 ZINC000002256716 209352895 /nfs/dbraw/zinc/35/28/95/209352895.db2.gz HWZJAFDYVKMITA-UHFFFAOYSA-N 0 0 378.497 4.641 50 0 GJAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)cc1 ZINC000002255401 209352139 /nfs/dbraw/zinc/35/21/39/209352139.db2.gz IBYHDNPEVLZJHW-UHFFFAOYSA-N 0 0 394.434 4.715 50 0 GJAARN O=C1O[C@H](Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21 ZINC000002200203 209350514 /nfs/dbraw/zinc/35/05/14/209350514.db2.gz FDLXZIFBYKTEOJ-HNNXBMFYSA-N 0 0 387.258 4.854 50 0 GJAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(OCC)cc1)Nc1ccccc1-2 ZINC000002187939 209350346 /nfs/dbraw/zinc/35/03/46/209350346.db2.gz 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C[C@@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000001447604 209329592 /nfs/dbraw/zinc/32/95/92/209329592.db2.gz IZPSLLVYTVDJFL-CQSZACIVSA-N 0 0 378.863 4.534 50 0 GJAARN CC(=O)COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000001456406 209329423 /nfs/dbraw/zinc/32/94/23/209329423.db2.gz JXYCRKKJTPDPDK-UHFFFAOYSA-N 0 0 382.419 4.710 50 0 GJAARN Cc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 ZINC000001444640 209327677 /nfs/dbraw/zinc/32/76/77/209327677.db2.gz VGHVZZBXAUUPED-UHFFFAOYSA-N 0 0 376.481 4.701 50 0 GJAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000001200906 209313077 /nfs/dbraw/zinc/31/30/77/209313077.db2.gz ZFTOGIMGOSTJPX-UHFFFAOYSA-N 0 0 399.519 4.926 50 0 GJAARN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc34)c21 ZINC000001200679 209312746 /nfs/dbraw/zinc/31/27/46/209312746.db2.gz MJFVEUUVJBPFOV-UHFFFAOYSA-N 0 0 391.448 4.906 50 0 GJAARN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(Cl)c1OCC ZINC000001192995 209311546 /nfs/dbraw/zinc/31/15/46/209311546.db2.gz 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209303420 /nfs/dbraw/zinc/30/34/20/209303420.db2.gz AGDCAAYEFMHYIR-UHFFFAOYSA-N 0 0 375.428 4.990 50 0 GJAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000001136128 209305493 /nfs/dbraw/zinc/30/54/93/209305493.db2.gz BYKDPVLOYMFARM-UHFFFAOYSA-N 0 0 393.508 4.838 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1 ZINC000001115317 209303008 /nfs/dbraw/zinc/30/30/08/209303008.db2.gz SUUXYGWXVTZNFE-PKNBQFBNSA-N 0 0 396.830 4.846 50 0 GJAARN COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000001109976 209301210 /nfs/dbraw/zinc/30/12/10/209301210.db2.gz SDMDLACHBYMSBH-UHFFFAOYSA-N 0 0 375.453 4.862 50 0 GJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1 ZINC000001107003 209300693 /nfs/dbraw/zinc/30/06/93/209300693.db2.gz IPIQQTWBUMLHSQ-UHFFFAOYSA-N 0 0 385.645 4.686 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000001092978 209300000 /nfs/dbraw/zinc/30/00/00/209300000.db2.gz AFIKJLLECSYZEE-ZQFKLAOWSA-N 0 0 379.459 4.647 50 0 GJAARN O=C(Nc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085191 209298103 /nfs/dbraw/zinc/29/81/03/209298103.db2.gz WMZRRXZKVKUQSA-CHWSQXEVSA-N 0 0 388.678 4.636 50 0 GJAARN CC(C)(C)c1ccc([C@@]23OC(=O)C4(CCCC4)[C@H]2OC(=O)C32CCCC2)cc1 ZINC000001080884 209297572 /nfs/dbraw/zinc/29/75/72/209297572.db2.gz IKFFIXROKMWUGO-HOYKHHGWSA-N 0 0 382.500 4.782 50 0 biogenic GJAARN O=C1c2ccccc2[C@@](O)(c2ccccc2)N1c1ccc(Cc2ccncc2)cc1 ZINC000001080717 209297668 /nfs/dbraw/zinc/29/76/68/209297668.db2.gz OMCGUNOHTQHZRH-SANMLTNESA-N 0 0 392.458 4.526 50 0 GJAARN Cc1oc(C(=O)NC(=O)Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000001039415 209291893 /nfs/dbraw/zinc/29/18/93/209291893.db2.gz WCKNWLMWMLZMAM-UHFFFAOYSA-N 0 0 389.333 4.631 50 0 GJAARN CC(=O)c1cccc(NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000001057064 209293541 /nfs/dbraw/zinc/29/35/41/209293541.db2.gz ZGDRUKVBOWRELE-UHFFFAOYSA-N 0 0 378.291 4.524 50 0 GJAARN COc1ccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 ZINC000001026405 209290438 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O=C(Nc1ccc(I)cc1)c1cc(Cl)ccc1Cl ZINC000000997255 209287304 /nfs/dbraw/zinc/28/73/04/209287304.db2.gz VIPQLLQAYOQONE-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000000996038 209287350 /nfs/dbraw/zinc/28/73/50/209287350.db2.gz KOINGDRHDLKHMO-LLVKDONJSA-N 0 0 382.243 4.576 50 0 GJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Br)cc21 ZINC000000990452 209286660 /nfs/dbraw/zinc/28/66/60/209286660.db2.gz NCWGFVZPHVAOSJ-UHFFFAOYSA-N 0 0 386.245 4.850 50 0 GJAARN O=C(CCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000000978190 209284666 /nfs/dbraw/zinc/28/46/66/209284666.db2.gz NGCCQZCGOHMERK-UHFFFAOYSA-N 0 0 384.479 4.851 50 0 GJAARN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 ZINC000000977648 209285031 /nfs/dbraw/zinc/28/50/31/209285031.db2.gz RPHJBYJERCWWRG-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN Cc1ccc(C)c(N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000000971184 209284809 /nfs/dbraw/zinc/28/48/09/209284809.db2.gz YXPVWTFKXWIEIU-KRWDZBQOSA-N 0 0 385.722 4.771 50 0 GJAARN CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 ZINC000000954542 209283946 /nfs/dbraw/zinc/28/39/46/209283946.db2.gz SYAAZUXPUQRGMU-CYBMUJFWSA-N 0 0 378.266 4.642 50 0 GJAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(C)C)cc1 ZINC000000954673 209283642 /nfs/dbraw/zinc/28/36/42/209283642.db2.gz CSHPPJIFTIGZIJ-OAQYLSRUSA-N 0 0 387.487 4.638 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950696 209283342 /nfs/dbraw/zinc/28/33/42/209283342.db2.gz JYQZZQFEACSKKI-GFCCVEGCSA-N 0 0 388.803 4.569 50 0 GJAARN CC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(CCCn2ccnc2)C1 ZINC000000956833 209283085 /nfs/dbraw/zinc/28/30/85/209283085.db2.gz IOQIGNUKUONKLW-UHFFFAOYSA-N 0 0 389.455 4.536 50 0 GJAARN CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCc1cccnc1 ZINC000000921287 209279049 /nfs/dbraw/zinc/27/90/49/209279049.db2.gz QACBEIPPGXJPBS-UHFFFAOYSA-N 0 0 376.243 4.725 50 0 GJAARN O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)o1 ZINC000000885898 209276523 /nfs/dbraw/zinc/27/65/23/209276523.db2.gz BJAXRKAKOHXWFQ-UHFFFAOYSA-N 0 0 385.217 4.547 50 0 GJAARN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000000867234 209275010 /nfs/dbraw/zinc/27/50/10/209275010.db2.gz FPHWGPQSNNYHOX-UHFFFAOYSA-N 0 0 386.476 4.669 50 0 GJAARN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccc(Cl)c1Cl ZINC000000869749 209274627 /nfs/dbraw/zinc/27/46/27/209274627.db2.gz AVVAONANCOLHGR-UHFFFAOYSA-N 0 0 392.208 4.726 50 0 GJAARN Cc1ccc(COc2ccc(/C=C3\N=C(c4cccs4)OC3=O)cc2)cc1 ZINC000000842772 209272318 /nfs/dbraw/zinc/27/23/18/209272318.db2.gz DDPMDBUPEIFCGI-UYRXBGFRSA-N 0 0 375.449 4.980 50 0 GJAARN CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 ZINC000000850649 209271918 /nfs/dbraw/zinc/27/19/18/209271918.db2.gz RNYPUHTVOMRVEL-UHFFFAOYSA-N 0 0 386.407 4.546 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccnc1 ZINC000000848976 209271663 /nfs/dbraw/zinc/27/16/63/209271663.db2.gz SIGDJZLLWWKCSR-UHFFFAOYSA-N 0 0 386.238 4.893 50 0 GJAARN CCSc1nnc2c(n1)O[C@H](/C(C)=C/c1ccccc1)Nc1ccccc1-2 ZINC000000830668 209270814 /nfs/dbraw/zinc/27/08/14/209270814.db2.gz YWNVGUUTGTWJPW-JKIKYLSZSA-N 0 0 376.485 4.885 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000000832549 209270870 /nfs/dbraw/zinc/27/08/70/209270870.db2.gz GGIURCNYQSCJQV-UHFFFAOYSA-N 0 0 386.908 4.658 50 0 GJAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn21 ZINC000000829521 209270171 /nfs/dbraw/zinc/27/01/71/209270171.db2.gz BISFAECDXVCZQI-UHFFFAOYSA-N 0 0 396.372 4.976 50 0 GJAARN O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1 ZINC000009329537 209265013 /nfs/dbraw/zinc/26/50/13/209265013.db2.gz XRSPZHGMGXNSKE-MHWRWJLKSA-N 0 0 381.844 4.517 50 0 GJAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000000771826 209263296 /nfs/dbraw/zinc/26/32/96/209263296.db2.gz ZYSWBDASMRTCDG-NFJKTXFASA-N 0 0 399.877 4.911 50 0 GJAARN Cc1[nH]c2c(c1CCNC(=O)c1ccc(Br)cc1)c(F)ccc2C ZINC000000719088 209261711 /nfs/dbraw/zinc/26/17/11/209261711.db2.gz HQCPQPWREIXMHM-UHFFFAOYSA-N 0 0 389.268 4.659 50 0 biogenic,in-vitro GJAARN Cc1ccc(-c2nnc(-c3ccc(NC(=O)Cc4cccs4)cc3)o2)cc1 ZINC000000693018 209261085 /nfs/dbraw/zinc/26/10/85/209261085.db2.gz LRZDWJSTQDTGRF-UHFFFAOYSA-N 0 0 375.453 4.955 50 0 GJAARN Cc1ccccc1-c1nc(OC(C)C)nn1-c1ccc(NC(=O)C2CCC2)cc1 ZINC000000696822 209260823 /nfs/dbraw/zinc/26/08/23/209260823.db2.gz HBHRPJBOGSYNNG-UHFFFAOYSA-N 0 0 390.487 4.769 50 0 GJAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(F)c1 ZINC000000708535 209261001 /nfs/dbraw/zinc/26/10/01/209261001.db2.gz MVFOPJHVUSQINP-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C(=O)OC)cc1 ZINC000000702211 209260591 /nfs/dbraw/zinc/26/05/91/209260591.db2.gz KIPKAWJHTVOPMC-UHFFFAOYSA-N 0 0 398.846 4.904 50 0 GJAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CC[C@H](C)C3)cc1 ZINC000000708177 209260807 /nfs/dbraw/zinc/26/08/07/209260807.db2.gz ZDMHPWRPFKPADV-HNNXBMFYSA-N 0 0 382.529 4.670 50 0 GJAARN CSCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000000702122 209260100 /nfs/dbraw/zinc/26/01/00/209260100.db2.gz QNEZWXSZZOHQDA-UHFFFAOYSA-N 0 0 389.311 4.788 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1OC ZINC000000687142 209259572 /nfs/dbraw/zinc/25/95/72/209259572.db2.gz AMNMCRAYVVYJRN-UHFFFAOYSA-N 0 0 390.483 4.791 50 0 GJAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000000678819 209259161 /nfs/dbraw/zinc/25/91/61/209259161.db2.gz JTZWMRDYWDRUFM-NSHDSACASA-N 0 0 392.908 4.695 50 0 GJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000688807 209259010 /nfs/dbraw/zinc/25/90/10/209259010.db2.gz PGRJRUKVXPDOPT-UHFFFAOYSA-N 0 0 390.914 4.821 50 0 GJAARN COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1 ZINC000000666410 209257109 /nfs/dbraw/zinc/25/71/09/209257109.db2.gz VDCOTGMNPNVIKJ-UHFFFAOYSA-N 0 0 393.295 4.840 50 0 GJAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000000671529 209257712 /nfs/dbraw/zinc/25/77/12/209257712.db2.gz VQVKSFQLRPTEDX-HSZRJFAPSA-N 0 0 388.536 4.869 50 0 GJAARN O=C(OCC(F)(F)C(F)F)c1cccc(COc2ccccc2Cl)c1 ZINC000000654829 209255747 /nfs/dbraw/zinc/25/57/47/209255747.db2.gz QDFHVTHPILPVIQ-UHFFFAOYSA-N 0 0 376.733 4.976 50 0 GJAARN CC1(C)C[C@@H](NC(=O)C2CCCCC2)C[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC000000669164 209256756 /nfs/dbraw/zinc/25/67/56/209256756.db2.gz FGHZXDKIKAURBN-YKSBVNFPSA-N 0 0 390.612 4.964 50 0 GJAARN CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2NC(=O)c2ccco2)CC1 ZINC000000644169 209254283 /nfs/dbraw/zinc/25/42/83/209254283.db2.gz FKZGSBZMXWFSDJ-UHFFFAOYSA-N 0 0 381.259 4.711 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000009134873 209249522 /nfs/dbraw/zinc/24/95/22/209249522.db2.gz PDDGMGRHOXRSQR-UHFFFAOYSA-N 0 0 388.423 4.543 50 0 GJAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1csc(-c2ccsc2)n1 ZINC000009157433 209248123 /nfs/dbraw/zinc/24/81/23/209248123.db2.gz FZKYMFIYUQNNPS-UHFFFAOYSA-N 0 0 383.542 4.744 50 0 GJAARN CCn1c(SCc2cc(F)ccc2Br)nnc1-c1cccnc1 ZINC000155501484 209246150 /nfs/dbraw/zinc/24/61/50/209246150.db2.gz VLZIOWPLIIYEDQ-UHFFFAOYSA-N 0 0 393.285 4.554 50 0 GJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc2ccccc2c1 ZINC000009036656 209245943 /nfs/dbraw/zinc/24/59/43/209245943.db2.gz SIHLRTDEJPQKTE-UHFFFAOYSA-N 0 0 396.446 4.884 50 0 GJAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C)c(Oc1cccc(OC)c1)c2=O ZINC000002408002 209228727 /nfs/dbraw/zinc/22/87/27/209228727.db2.gz ANOASAWUNQFQGA-UHFFFAOYSA-N 0 0 397.427 4.743 50 0 biogenic GJAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccccc3)ccc2c1=O ZINC000001124270 209227153 /nfs/dbraw/zinc/22/71/53/209227153.db2.gz XUUCUYPKXFNBQU-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 GJAARN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)c1 ZINC000000942138 209227041 /nfs/dbraw/zinc/22/70/41/209227041.db2.gz DEMYCDTWNMZHSN-KPKJPENVSA-N 0 0 397.471 4.559 50 0 aggregator,biogenic GJAARN Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4cccc(Cl)c4)no3)c2CO1 ZINC000263616771 209225481 /nfs/dbraw/zinc/22/54/81/209225481.db2.gz KKZAFKKVWLUNAI-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN Clc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1 ZINC000263615852 209225372 /nfs/dbraw/zinc/22/53/72/209225372.db2.gz FNZUXVUIFLUTKQ-GOSISDBHSA-N 0 0 378.819 4.525 50 0 GJAARN O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(Br)cs1 ZINC000244986030 209215796 /nfs/dbraw/zinc/21/57/96/209215796.db2.gz JCQRSIDPFJVSMD-UHFFFAOYSA-N 0 0 379.304 4.564 50 0 GJAARN Clc1ccc2oc(-c3ccccc3)cc(=Nc3nc4ccccc4s3)c2c1 ZINC000238924286 209212785 /nfs/dbraw/zinc/21/27/85/209212785.db2.gz RPVXTPZAYFIQNS-UHFFFAOYSA-N 0 0 388.879 6.595 50 0 GJAARN COc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000001415868 212060668 /nfs/dbraw/zinc/06/06/68/212060668.db2.gz KRQLPPFUHVHDLT-UHFFFAOYSA-N 0 0 382.876 4.907 50 0 GJAARN Clc1ccc(C2=Nn3c(Cc4cccc5c4CCCC5)nnc3SC2)cc1 ZINC000045068371 212041986 /nfs/dbraw/zinc/04/19/86/212041986.db2.gz FELMJQISKXGZKA-UHFFFAOYSA-N 0 0 394.931 4.759 50 0 GJAARN Cc1ccc(C(=O)Cn2cc(-c3ccc(-c4ccccc4)cc3)n(C)c2=N)cc1 ZINC000334157487 212042122 /nfs/dbraw/zinc/04/21/22/212042122.db2.gz AKCWIEQAHKHASJ-UHFFFAOYSA-N 0 0 381.479 4.831 50 0 GJAARN Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1cccc(Cl)c1 ZINC000334157548 212042388 /nfs/dbraw/zinc/04/23/88/212042388.db2.gz KCOKOJUHCDEECG-UHFFFAOYSA-N 0 0 394.689 4.816 50 0 GJAARN CC[C@@H](NC(=O)c1cccc(-c2cn(C(F)F)nc2C)c1)c1ncccc1C ZINC000299795930 212039346 /nfs/dbraw/zinc/03/93/46/212039346.db2.gz NATUVKRMVZEPBH-GOSISDBHSA-N 0 0 384.430 4.838 50 0 GJAARN CCn1nc(C)c(-c2cccc(C(=O)N(Cc3cccc(O)c3)C3CC3)c2)c1C ZINC000299764333 212033252 /nfs/dbraw/zinc/03/32/52/212033252.db2.gz ZPXBDAYLTBSPJH-UHFFFAOYSA-N 0 0 389.499 4.697 50 0 GJAARN C[C@H](O)c1nc2cc(-c3cccc(C(=O)NC4CCCCCC4)c3)ccc2[nH]1 ZINC000299764399 212032377 /nfs/dbraw/zinc/03/23/77/212032377.db2.gz SKOQZWIDHXQMIM-HNNXBMFYSA-N 0 0 377.488 4.736 50 0 GJAARN Cc1nccc(-c2cccc(NC(=O)N(C)Cc3csc(C(C)C)n3)c2)n1 ZINC000299758557 212031978 /nfs/dbraw/zinc/03/19/78/212031978.db2.gz KGUQIYMSMPASPD-UHFFFAOYSA-N 0 0 381.505 4.696 50 0 GJAARN CSC1=N/C(=C/c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)C(=O)N1 ZINC000263640020 212031616 /nfs/dbraw/zinc/03/16/16/212031616.db2.gz TURDPPRBPFTNJG-AWNIVKPZSA-N 0 0 397.809 4.611 50 0 GJAARN CCc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@@H]3c3ccnn3C)s2)cc1 ZINC000328589321 203757202 /nfs/dbraw/zinc/75/72/02/203757202.db2.gz KCKVBBYFKYYVRG-LJQANCHMSA-N 0 0 394.544 4.782 50 0 GJAARN CCS(=O)(=O)c1cccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)c1 ZINC000334161555 203783942 /nfs/dbraw/zinc/78/39/42/203783942.db2.gz CDIDHENIYLKEAR-UHFFFAOYSA-N 0 0 391.876 4.749 50 0 GJAARN CSCC[C@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 ZINC000334160867 203785105 /nfs/dbraw/zinc/78/51/05/203785105.db2.gz NWMAPYDQJZGYLO-OALUTQOASA-N 0 0 384.549 4.562 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@H](C)C2 ZINC000000636827 203843729 /nfs/dbraw/zinc/84/37/29/203843729.db2.gz SJNOQHFPPBHTIM-NSHDSACASA-N 0 0 377.893 4.955 50 0 GJAARN COc1ccc(NC(=O)Oc2ccc(OCc3ccccc3)cc2)c(OC)c1 ZINC000000641566 203844813 /nfs/dbraw/zinc/84/48/13/203844813.db2.gz JWSGAZHXXZNZFC-UHFFFAOYSA-N 0 0 379.412 4.894 50 0 GJAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)NCc2ccco2)cc1 ZINC000015880525 203829055 /nfs/dbraw/zinc/82/90/55/203829055.db2.gz VSELYYJWMOKAKF-UHFFFAOYSA-N 0 0 377.396 4.640 50 0 GJAARN COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CCCC2 ZINC000000677026 203848273 /nfs/dbraw/zinc/84/82/73/203848273.db2.gz CNWLCNYHJYTHSX-UHFFFAOYSA-N 0 0 387.501 4.554 50 0 GJAARN CC1(C)C[C@@H](n2c(=O)c3ccccc3nc2SCc2ccccc2)CCO1 ZINC000000822720 203857222 /nfs/dbraw/zinc/85/72/22/203857222.db2.gz ZSQCGDFEZXKZGK-KRWDZBQOSA-N 0 0 380.513 4.819 50 0 GJAARN COc1ccc(OC)c(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1 ZINC000009454920 203860621 /nfs/dbraw/zinc/86/06/21/203860621.db2.gz PYKXESJRWFSELB-UHFFFAOYSA-N 0 0 396.440 4.881 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccncc1)C[C@H](C(C)(C)C)CC2 ZINC000000996100 203871146 /nfs/dbraw/zinc/87/11/46/203871146.db2.gz DXEXNLXWWMEKON-CQSZACIVSA-N 0 0 386.517 4.723 50 0 GJAARN CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000000993104 203871786 /nfs/dbraw/zinc/87/17/86/203871786.db2.gz LJUKYXGVHFVNGC-UHFFFAOYSA-N 0 0 394.254 4.628 50 0 GJAARN COc1ccc(-c2cc(C(=O)NC(C)C)c3cc(Br)ccc3n2)cc1 ZINC000001002871 203873142 /nfs/dbraw/zinc/87/31/42/203873142.db2.gz LMGYFNDQWYOABX-UHFFFAOYSA-N 0 0 399.288 4.811 50 0 GJAARN COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)c1 ZINC000001114142 203884500 /nfs/dbraw/zinc/88/45/00/203884500.db2.gz UZNUUXOTNVDAQH-HXUWFJFHSA-N 0 0 396.284 4.977 50 0 GJAARN COc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000001122859 203886060 /nfs/dbraw/zinc/88/60/60/203886060.db2.gz LOAGBNMSLQHYMG-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NCCc1ccccc1 ZINC000001140974 203888328 /nfs/dbraw/zinc/88/83/28/203888328.db2.gz CAUJHDXPGCMQDX-UHFFFAOYSA-N 0 0 388.945 4.915 50 0 GJAARN COc1ccc(-c2oc(=O)n(Cc3cccs3)c2-c2ccc(OC)cc2)cc1 ZINC000001428051 203907892 /nfs/dbraw/zinc/90/78/92/203907892.db2.gz JLOUBFMIYXATCP-UHFFFAOYSA-N 0 0 393.464 4.902 50 0 GJAARN COc1ccc(NC2=C3C[C@@H](C)CC=C3N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001422862 203907915 /nfs/dbraw/zinc/90/79/15/203907915.db2.gz PGXBXPZFKWINTM-HNNXBMFYSA-N 0 0 376.456 4.730 50 0 GJAARN O=C1O[C@@H](c2ccccc2)[C@](O)(c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000001422803 203907982 /nfs/dbraw/zinc/90/79/82/203907982.db2.gz DNBUWXULNGLMCJ-UKILVPOCSA-N 0 0 398.462 4.749 50 0 GJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000001509052 203912540 /nfs/dbraw/zinc/91/25/40/203912540.db2.gz CYOOIDIOLGFTMH-QFIPXVFZSA-N 0 0 396.450 4.563 50 0 GJAARN CCCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000001839423 203921468 /nfs/dbraw/zinc/92/14/68/203921468.db2.gz VBGVVZMTKCKDDS-UHFFFAOYSA-N 0 0 387.471 4.699 50 0 GJAARN CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O ZINC000002062843 203925127 /nfs/dbraw/zinc/92/51/27/203925127.db2.gz CMVOJRVSAMMSLC-UHFFFAOYSA-N 0 0 385.847 4.796 50 0 GJAARN CCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(C)c(Cl)c1 ZINC000002062985 203925156 /nfs/dbraw/zinc/92/51/56/203925156.db2.gz WPNOAMUJLUPLIG-UHFFFAOYSA-N 0 0 398.890 4.815 50 0 GJAARN Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2Br)c1 ZINC000002176441 203929541 /nfs/dbraw/zinc/92/95/41/203929541.db2.gz RILRUAQVISLMPR-UHFFFAOYSA-N 0 0 376.294 4.690 50 0 GJAARN CCCCn1c(N)c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000002246062 203932050 /nfs/dbraw/zinc/93/20/50/203932050.db2.gz JYYJLAAITBNSBR-UHFFFAOYSA-N 0 0 391.519 4.587 50 0 GJAARN CCCCCCOc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 ZINC000002318385 203937599 /nfs/dbraw/zinc/93/75/99/203937599.db2.gz ZKPWNICJMONBTQ-IBGZPJMESA-N 0 0 382.504 4.744 50 0 GJAARN CCOc1ccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)cc1 ZINC000002420172 203943224 /nfs/dbraw/zinc/94/32/24/203943224.db2.gz OZMSPZCSKMICCK-UNOMPAQXSA-N 0 0 378.453 4.818 50 0 GJAARN COc1ccc(OCCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 ZINC000003272037 203994829 /nfs/dbraw/zinc/99/48/29/203994829.db2.gz WXLMKWQGXVWBFE-UHFFFAOYSA-N 0 0 398.484 4.543 50 0 GJAARN CCc1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)nc1-c1ccccc1 ZINC000002830509 203966653 /nfs/dbraw/zinc/96/66/53/203966653.db2.gz NNZVNSMGBKKPKU-PKNBQFBNSA-N 0 0 378.453 4.753 50 0 GJAARN COc1cccc(CNC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000002911989 203974151 /nfs/dbraw/zinc/97/41/51/203974151.db2.gz GKIWGUKBSQLJJA-UHFFFAOYSA-N 0 0 398.506 4.947 50 0 biogenic GJAARN O=C1CN(C2CCCC2)C(=O)[C@H](c2ccc(F)cc2)N1C1CCCCCCC1 ZINC000003039652 203982827 /nfs/dbraw/zinc/98/28/27/203982827.db2.gz WCOBWNJZOCXJOH-QFIPXVFZSA-N 0 0 386.511 4.593 50 0 GJAARN CCN(C(=O)COC(=O)c1ccc2ccccc2n1)c1cccc2ccccc21 ZINC000003275310 203994041 /nfs/dbraw/zinc/99/40/41/203994041.db2.gz OOOCBAFMDNKLAI-UHFFFAOYSA-N 0 0 384.435 4.598 50 0 GJAARN Cc1cc(I)ccc1NC(=O)c1ccc(F)cc1Cl ZINC000002650599 203954685 /nfs/dbraw/zinc/95/46/85/203954685.db2.gz MGNNWAAWFKQOJR-UHFFFAOYSA-N 0 0 389.595 4.644 50 0 GJAARN COc1cccc(-c2nnc(SCc3ccccn3)n2-c2ccc(C)cc2)c1 ZINC000004358627 204040817 /nfs/dbraw/zinc/04/08/17/204040817.db2.gz BGWROZHUOJPBNX-UHFFFAOYSA-N 0 0 388.496 4.939 50 0 GJAARN CN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)c2cc(Br)ccc21 ZINC000003363443 204001431 /nfs/dbraw/zinc/00/14/31/204001431.db2.gz LUPIVUIIQLYZBD-ZSOIEALJSA-N 0 0 382.179 4.985 50 0 GJAARN Cc1cccc(OCCC(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)c1 ZINC000003379220 204002628 /nfs/dbraw/zinc/00/26/28/204002628.db2.gz ZIWMLMBUGGQWJW-HNNXBMFYSA-N 0 0 388.920 4.942 50 0 GJAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000003390833 204003978 /nfs/dbraw/zinc/00/39/78/204003978.db2.gz QGYNYJDZDANNCF-MRXNPFEDSA-N 0 0 396.560 4.632 50 0 GJAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl ZINC000003416761 204005445 /nfs/dbraw/zinc/00/54/45/204005445.db2.gz USJMIFIVGNRUED-UHFFFAOYSA-N 0 0 397.833 4.619 50 0 GJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C ZINC000003418839 204005527 /nfs/dbraw/zinc/00/55/27/204005527.db2.gz GMNCNYXRFZSPHJ-QGZVFWFLSA-N 0 0 390.270 4.602 50 0 GJAARN Fc1cc(CSc2nnc3ccccn32)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000003440975 204006688 /nfs/dbraw/zinc/00/66/88/204006688.db2.gz QCOBMENZJXOLPJ-FQEVSTJZSA-N 0 0 393.443 4.769 50 0 GJAARN CCOC(=O)c1ccoc1CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000003442908 204007906 /nfs/dbraw/zinc/00/79/06/204007906.db2.gz KEWKVUWSRUEBCT-UHFFFAOYSA-N 0 0 375.475 4.652 50 0 GJAARN COC(=O)c1ccc(COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)o1 ZINC000003455323 204008087 /nfs/dbraw/zinc/00/80/87/204008087.db2.gz ZEAFTEACNKTKCK-UHFFFAOYSA-N 0 0 391.379 4.540 50 0 GJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC000003507061 204011458 /nfs/dbraw/zinc/01/14/58/204011458.db2.gz BDAOGHYGAGATRU-FQEVSTJZSA-N 0 0 395.842 4.885 50 0 GJAARN CCOc1ccc(-n2c(S[C@H]3CCCC3=O)nnc2-c2ccccc2)cc1 ZINC000003562619 204013184 /nfs/dbraw/zinc/01/31/84/204013184.db2.gz YORWCNZFZYRPJO-IBGZPJMESA-N 0 0 379.485 4.547 50 0 GJAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\C(Cl)=C\c1ccccc1 ZINC000003584249 204014102 /nfs/dbraw/zinc/01/41/02/204014102.db2.gz AMXJXFTUTLLVSI-XCMCHEKJSA-N 0 0 388.648 4.916 50 0 GJAARN Cc1ccc2nc(NC(=O)COc3ccc(F)cc3Br)sc2c1 ZINC000003592138 204014527 /nfs/dbraw/zinc/01/45/27/204014527.db2.gz HOOOCGBBAVOTME-UHFFFAOYSA-N 0 0 395.253 4.524 50 0 GJAARN CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCc2ccccc2C1 ZINC000003641013 204017411 /nfs/dbraw/zinc/01/74/11/204017411.db2.gz QFTFBQDSDRNWOW-UHFFFAOYSA-N 0 0 375.497 4.676 50 0 GJAARN COc1ccc(CN(CC[C@]2(C(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000004046463 204024781 /nfs/dbraw/zinc/02/47/81/204024781.db2.gz YLLVUYCHRPRTOE-QHCPKHFHSA-N 0 0 391.552 4.674 50 0 biogenic GJAARN CCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 ZINC000004113402 204027717 /nfs/dbraw/zinc/02/77/17/204027717.db2.gz ZLBZFHGPPJRYPV-UHFFFAOYSA-N 0 0 378.472 4.552 50 0 GJAARN O=C(NCCc1nc2ccccc2n1Cc1cccc2ccccc21)c1ccco1 ZINC000004386813 204043051 /nfs/dbraw/zinc/04/30/51/204043051.db2.gz FWLQWFAXPWHYBI-UHFFFAOYSA-N 0 0 395.462 4.803 50 0 GJAARN CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc2cc1O ZINC000004177549 204032146 /nfs/dbraw/zinc/03/21/46/204032146.db2.gz IUQYXDHNFIIIDQ-BZZOAKBMSA-N 0 0 378.472 4.901 50 0 GJAARN COc1ccc(-c2nnc(SCc3ccccn3)n2-c2ccc(C)cc2)cc1 ZINC000004211486 204033456 /nfs/dbraw/zinc/03/34/56/204033456.db2.gz QNBOESXHEUHZEQ-UHFFFAOYSA-N 0 0 388.496 4.939 50 0 GJAARN COc1cccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1OC ZINC000004249059 204034257 /nfs/dbraw/zinc/03/42/57/204034257.db2.gz MHTYHDQMPGFMDE-UHFFFAOYSA-N 0 0 393.468 4.641 50 0 GJAARN O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Br)c(Cl)c1 ZINC000004698788 204065016 /nfs/dbraw/zinc/06/50/16/204065016.db2.gz IPVYWVZUDCXRSN-UHFFFAOYSA-N 0 0 394.696 4.999 50 0 GJAARN CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1 ZINC000004700199 204065102 /nfs/dbraw/zinc/06/51/02/204065102.db2.gz SNOWKJMPAVXTJJ-QGZVFWFLSA-N 0 0 382.570 4.652 50 0 GJAARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000004703942 204066621 /nfs/dbraw/zinc/06/66/21/204066621.db2.gz QTHCPKFUACOBGB-AWNIVKPZSA-N 0 0 399.947 4.857 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCCCC2)cc1 ZINC000004725160 204069194 /nfs/dbraw/zinc/06/91/94/204069194.db2.gz CXCGTJHSCVCEBB-QINSGFPZSA-N 0 0 387.483 4.574 50 0 GJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 ZINC000004727700 204069498 /nfs/dbraw/zinc/06/94/98/204069498.db2.gz OWOBTLUZFXKKGI-UHFFFAOYSA-N 0 0 390.418 4.519 50 0 GJAARN CCC(C)(C)c1ccc(OCCCC(=O)Nc2nc[nH]n2)c(C(C)(C)CC)c1 ZINC000004724989 204069953 /nfs/dbraw/zinc/06/99/53/204069953.db2.gz WQPZBKWZEHYBQB-UHFFFAOYSA-N 0 0 386.540 4.978 50 0 GJAARN O=C(/C=C/c1ccccc1)n1nc(-c2ccco2)nc1NCc1cccs1 ZINC000004783728 204075710 /nfs/dbraw/zinc/07/57/10/204075710.db2.gz KINHDDBVEOLZBK-ZHACJKMWSA-N 0 0 376.441 4.565 50 0 GJAARN CCCN1c2ccccc2[C@](O)(CC(=O)c2c(C)cc(C(C)(C)C)cc2C)C1=O ZINC000004784399 204075767 /nfs/dbraw/zinc/07/57/67/204075767.db2.gz HFSHURWTHQIGGY-RUZDIDTESA-N 0 0 393.527 4.818 50 0 GJAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CC2=O)cc1 ZINC000004809623 204076542 /nfs/dbraw/zinc/07/65/42/204076542.db2.gz LSDPOIXDPHLPDR-LJQANCHMSA-N 0 0 382.463 4.558 50 0 GJAARN CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000004816848 204077962 /nfs/dbraw/zinc/07/79/62/204077962.db2.gz MYUFUSQOGBNFNF-ZWKOTPCHSA-N 0 0 387.270 4.672 50 0 GJAARN CCCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 ZINC000004816588 204078167 /nfs/dbraw/zinc/07/81/67/204078167.db2.gz IAXGXIUYDAXKDR-VQTJNVASSA-N 0 0 378.451 4.593 50 0 GJAARN CCn1c(SCCOc2ccccc2C)nnc1-c1c[nH]c2ccccc21 ZINC000004827473 204079457 /nfs/dbraw/zinc/07/94/57/204079457.db2.gz GLGDNDZYUKPAAN-UHFFFAOYSA-N 0 0 378.501 4.926 50 0 GJAARN COc1ccc(NC(=O)c2ccco2)c(NC(=O)CSc2ccc(C)cc2)c1 ZINC000004828043 204079772 /nfs/dbraw/zinc/07/97/72/204079772.db2.gz XMZYFVBDMPNTQY-UHFFFAOYSA-N 0 0 396.468 4.580 50 0 GJAARN COc1ccc(C)cc1NC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000004870904 204084711 /nfs/dbraw/zinc/08/47/11/204084711.db2.gz JJSWIRXZNCVQMP-UHFFFAOYSA-N 0 0 389.860 4.667 50 0 GJAARN Fc1ccccc1-c1nc(SCCOc2ccc(Br)cc2)n[nH]1 ZINC000004878153 204085420 /nfs/dbraw/zinc/08/54/20/204085420.db2.gz QNDZYZSXYHVJRP-UHFFFAOYSA-N 0 0 394.269 4.544 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000004889276 204086545 /nfs/dbraw/zinc/08/65/45/204086545.db2.gz XPSUJJUPLUTXSS-UHFFFAOYSA-N 0 0 376.840 4.544 50 0 GJAARN CCCSC1=N/C(=C/c2ccc(OCC)c(OC)c2)C(=O)N1c1ccccc1 ZINC000004883205 204087451 /nfs/dbraw/zinc/08/74/51/204087451.db2.gz BZYJZSLEMJWXPA-NBVRZTHBSA-N 0 0 396.512 4.981 50 0 GJAARN CC(=O)c1cccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 ZINC000004885441 204087479 /nfs/dbraw/zinc/08/74/79/204087479.db2.gz KORDWLXVIRVTOK-UHFFFAOYSA-N 0 0 397.906 4.768 50 0 GJAARN CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]([NH3+])C(=O)[O-] ZINC000004899685 204088076 /nfs/dbraw/zinc/08/80/76/204088076.db2.gz XSOLHQWRHYIXOC-NRFANRHFSA-N 0 0 391.536 4.902 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3cc4cc5ccc(C)cc5nc4o3)C[C@H]2C)c1 ZINC000004906753 204089641 /nfs/dbraw/zinc/08/96/41/204089641.db2.gz YSGSTDXTHATKDZ-GOSISDBHSA-N 0 0 399.494 4.949 50 0 GJAARN COc1ccc2cc3cc(C(=O)Nc4ccc(OC)c(Cl)c4)oc3nc2c1 ZINC000004907827 204089688 /nfs/dbraw/zinc/08/96/88/204089688.db2.gz HGPSFGFQWXSALJ-UHFFFAOYSA-N 0 0 382.803 4.904 50 0 GJAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000004910775 204089711 /nfs/dbraw/zinc/08/97/11/204089711.db2.gz GKNGAHCOVYIWKN-GOSISDBHSA-N 0 0 391.515 4.538 50 0 GJAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000004477542 204046622 /nfs/dbraw/zinc/04/66/22/204046622.db2.gz NSDDZZJDZQZEGK-NRFANRHFSA-N 0 0 382.822 4.600 50 0 GJAARN CCc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 ZINC000004518133 204049706 /nfs/dbraw/zinc/04/97/06/204049706.db2.gz DJTMBSRTJPUXMQ-UHFFFAOYSA-N 0 0 389.503 4.806 50 0 GJAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2ccccc2c(=O)o1 ZINC000004540189 204050937 /nfs/dbraw/zinc/05/09/37/204050937.db2.gz VIPUZEGDLQDWGV-UHFFFAOYSA-N 0 0 396.855 4.746 50 0 GJAARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl ZINC000004597484 204057088 /nfs/dbraw/zinc/05/70/88/204057088.db2.gz YJFHVFKFUUPFDZ-FQEVSTJZSA-N 0 0 394.906 4.847 50 0 GJAARN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccccc2Cl)N1 ZINC000004599017 204057117 /nfs/dbraw/zinc/05/71/17/204057117.db2.gz VXPNMJSOHRRZDF-INIZCTEOSA-N 0 0 376.806 4.763 50 0 GJAARN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 ZINC000004649500 204059275 /nfs/dbraw/zinc/05/92/75/204059275.db2.gz HVFWPBWVUQITEF-UHFFFAOYSA-N 0 0 393.299 4.520 50 0 GJAARN COc1ccc(Cl)cc1C1=N/C(=C\c2cccc(C(F)(F)F)c2)C(=O)O1 ZINC000004644411 204060043 /nfs/dbraw/zinc/06/00/43/204060043.db2.gz KITKQEDCWDRDEZ-ZSOIEALJSA-N 0 0 381.737 4.712 50 0 GJAARN CCOC(=O)c1ccc(Cl)c(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000004666551 204060569 /nfs/dbraw/zinc/06/05/69/204060569.db2.gz QFQBAPRDRJVAGU-UHFFFAOYSA-N 0 0 383.831 4.687 50 0 GJAARN COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 ZINC000004659924 204061161 /nfs/dbraw/zinc/06/11/61/204061161.db2.gz YUTLIATUDVGWNE-UHFFFAOYSA-N 0 0 398.821 4.992 50 0 GJAARN Cc1ccc(C)c(SCCc2nn3c(Cc4ccc(F)cc4)nnc3s2)c1 ZINC000004667786 204061873 /nfs/dbraw/zinc/06/18/73/204061873.db2.gz VOCVQFYJWRQYHG-UHFFFAOYSA-N 0 0 398.532 4.867 50 0 GJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccccc1Cl ZINC000004672611 204062092 /nfs/dbraw/zinc/06/20/92/204062092.db2.gz IQTLJIGNTRNAPR-UHFFFAOYSA-N 0 0 393.826 4.595 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C ZINC000005093862 204110899 /nfs/dbraw/zinc/11/08/99/204110899.db2.gz QWFFPSJMGRVWFV-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCc4ccccc4C)C3)nc2c(C)c1 ZINC000005107787 204112178 /nfs/dbraw/zinc/11/21/78/204112178.db2.gz NFIPPNQNWNBDIW-IBGZPJMESA-N 0 0 393.556 4.754 50 0 GJAARN O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1Cl ZINC000005127310 204113751 /nfs/dbraw/zinc/11/37/51/204113751.db2.gz KRJZSXLWYMFYMT-UHFFFAOYSA-N 0 0 382.287 4.692 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 ZINC000005136242 204113958 /nfs/dbraw/zinc/11/39/58/204113958.db2.gz AUASWZCPFWARDZ-UHFFFAOYSA-N 0 0 392.480 4.602 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1cccc(F)c1 ZINC000005151033 204115175 /nfs/dbraw/zinc/11/51/75/204115175.db2.gz BCKNYLRTWVRYAH-FJIJXJHWSA-N 0 0 397.490 4.733 50 0 GJAARN CCc1nc2c3ccccc3oc2c(N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000005156504 204115207 /nfs/dbraw/zinc/11/52/07/204115207.db2.gz DKQMOMWUUGURBD-UHFFFAOYSA-N 0 0 386.499 4.882 50 0 GJAARN Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146318 204115751 /nfs/dbraw/zinc/11/57/51/204115751.db2.gz IMGMABCUXXJBAC-UHFFFAOYSA-N 0 0 382.891 4.795 50 0 GJAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccccc1Cl ZINC000005212772 204119015 /nfs/dbraw/zinc/11/90/15/204119015.db2.gz KZRBKRONGXGDQH-UHFFFAOYSA-N 0 0 375.906 4.564 50 0 GJAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 ZINC000005210490 204119221 /nfs/dbraw/zinc/11/92/21/204119221.db2.gz NIJOYOALQCJHRV-HUUCEWRRSA-N 0 0 379.485 4.503 50 0 GJAARN O=C1C[C@H](c2ccccc2)CC2=NNC(c3ccc(Br)cc3)=C[C@H]12 ZINC000005279716 204123236 /nfs/dbraw/zinc/12/32/36/204123236.db2.gz AFCNKNFHNUDTKV-WBVHZDCISA-N 0 0 381.273 4.512 50 0 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4.604 50 0 GJAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccc(F)cc1 ZINC000040002697 205045992 /nfs/dbraw/zinc/04/59/92/205045992.db2.gz KSNFWTKPVMMJEF-ZDUSSCGKSA-N 0 0 375.831 4.601 50 0 GJAARN O=C(NCCc1ccccc1F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000040061964 205048183 /nfs/dbraw/zinc/04/81/83/205048183.db2.gz AALPVOAKJBJAJZ-DLBZAZTESA-N 0 0 380.488 4.844 50 0 GJAARN COc1ccc2cc([C@@H](C)C(=O)NCc3cn4cc(Cl)ccc4n3)ccc2c1 ZINC000040050724 205048732 /nfs/dbraw/zinc/04/87/32/205048732.db2.gz QICBGGVXJCHCPY-CQSZACIVSA-N 0 0 393.874 4.569 50 0 GJAARN Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000040081007 205050019 /nfs/dbraw/zinc/05/00/19/205050019.db2.gz MROGHNCIMQZDQX-SJORKVTESA-N 0 0 392.421 4.677 50 0 GJAARN Cc1cc([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c(C)s1 ZINC000040074262 205050416 /nfs/dbraw/zinc/05/04/16/205050416.db2.gz GZKNAVHINVBIHQ-OXQOHEQNSA-N 0 0 386.561 4.695 50 0 GJAARN CCOc1ccccc1CN(C[C@H](C)O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000040096098 205051051 /nfs/dbraw/zinc/05/10/51/205051051.db2.gz XOXDLDZFRMTZSM-AWEZNQCLSA-N 0 0 396.409 4.519 50 0 GJAARN Cc1cc2cc(NC(=O)Cn3c(C)cc(-c4csc(C)n4)c3C)ccc2[nH]1 ZINC000040087321 205051663 /nfs/dbraw/zinc/05/16/63/205051663.db2.gz LZARTTXOJRVFPG-UHFFFAOYSA-N 0 0 378.501 4.965 50 0 GJAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000040113094 205054733 /nfs/dbraw/zinc/05/47/33/205054733.db2.gz WITNEHMGIAAUBL-LBPRGKRZSA-N 0 0 389.883 4.688 50 0 GJAARN COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H](C)c1cc(C)sc1C ZINC000040121093 205055638 /nfs/dbraw/zinc/05/56/38/205055638.db2.gz OXJBFEJZYAEPDL-CQSZACIVSA-N 0 0 389.517 4.613 50 0 GJAARN CN(Cc1ccc(OCc2nccn2C)cc1)Cc1cccc(Cl)c1Cl ZINC000040135428 205056403 /nfs/dbraw/zinc/05/64/03/205056403.db2.gz TYHOCIZSWQNIMC-UHFFFAOYSA-N 0 0 390.314 4.938 50 0 GJAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cc(F)ccc2F)s1 ZINC000040139836 205057487 /nfs/dbraw/zinc/05/74/87/205057487.db2.gz RVIVXWOUAZICGK-LCYFTJDESA-N 0 0 377.803 4.806 50 0 GJAARN CCCOc1ccccc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000039536492 205042459 /nfs/dbraw/zinc/04/24/59/205042459.db2.gz ZRXUOGMNIWRLCN-HNNXBMFYSA-N 0 0 383.517 4.717 50 0 GJAARN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccc(OC)cc3OC)co2)cc1 ZINC000042754197 205080741 /nfs/dbraw/zinc/08/07/41/205080741.db2.gz ABPUMKYDUBNWDR-NRFANRHFSA-N 0 0 394.471 4.705 50 0 GJAARN CCCCOC(=O)c1nc2ccccc2nc1Nc1ccc(OC)c(Cl)c1 ZINC000045901546 205098860 /nfs/dbraw/zinc/09/88/60/205098860.db2.gz HMAZPJWIAOKMHR-UHFFFAOYSA-N 0 0 385.851 4.992 50 0 GJAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000044902289 205089781 /nfs/dbraw/zinc/08/97/81/205089781.db2.gz FQQOSSHNGHHFEY-INIZCTEOSA-N 0 0 376.243 4.974 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 ZINC000045351357 205095374 /nfs/dbraw/zinc/09/53/74/205095374.db2.gz CGFRDTYUPHOYAY-NYHFZMIOSA-N 0 0 391.423 4.655 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 ZINC000045351354 205095944 /nfs/dbraw/zinc/09/59/44/205095944.db2.gz CGFRDTYUPHOYAY-QRQCRPRQSA-N 0 0 391.423 4.655 50 0 GJAARN CCCc1nc(CSc2n[nH]c(-c3ccccc3Br)n2)cs1 ZINC000045525809 205097173 /nfs/dbraw/zinc/09/71/73/205097173.db2.gz JMMDFJYBCSGFER-UHFFFAOYSA-N 0 0 395.351 4.936 50 0 GJAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1OC ZINC000041078079 205076664 /nfs/dbraw/zinc/07/66/64/205076664.db2.gz VIEDVTKBFDZSRA-UHFFFAOYSA-N 0 0 393.487 4.598 50 0 GJAARN ClC(Cl)=C1NC(c2ccc(Cl)cc2)=NCc2nc3ccccc3n21 ZINC000041097506 205077311 /nfs/dbraw/zinc/07/73/11/205077311.db2.gz GIBTVJFUQFWRPE-UHFFFAOYSA-N 0 0 377.662 4.801 50 0 GJAARN COc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC(F)F ZINC000047958543 205113429 /nfs/dbraw/zinc/11/34/29/205113429.db2.gz ZZLQQBKHYCPIES-LBPRGKRZSA-N 0 0 379.428 4.828 50 0 GJAARN COc1ccc(-c2csc(NC(=O)Cc3cn(C)c4ccccc34)n2)cc1F ZINC000048311534 205117795 /nfs/dbraw/zinc/11/77/95/205117795.db2.gz UDTBRRAHOBRXJP-UHFFFAOYSA-N 0 0 395.459 4.631 50 0 GJAARN COc1ccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)cc1 ZINC000049005380 205124460 /nfs/dbraw/zinc/12/44/60/205124460.db2.gz SVSXQXZYAJGCQB-HNNXBMFYSA-N 0 0 390.487 4.563 50 0 GJAARN CCOc1cc([C@H]2SCC(=O)Nc3c2cnn3C)ccc1OC1CCCC1 ZINC000049550255 205128254 /nfs/dbraw/zinc/12/82/54/205128254.db2.gz TYUMTSLJECOIJE-LJQANCHMSA-N 0 0 387.505 4.564 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057748 205102538 /nfs/dbraw/zinc/10/25/38/205102538.db2.gz RMIKYJAGLJCJTL-SFHVURJKSA-N 0 0 393.874 4.760 50 0 GJAARN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2cccc(Cl)c2)c1 ZINC000046057389 205103227 /nfs/dbraw/zinc/10/32/27/205103227.db2.gz RHOYYOGZDHYHFZ-SFHVURJKSA-N 0 0 393.874 4.705 50 0 GJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C(O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056462 205103382 /nfs/dbraw/zinc/10/33/82/205103382.db2.gz SUOHOUKCFGPWAN-GOSISDBHSA-N 0 0 393.874 4.760 50 0 GJAARN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)c1 ZINC000046045551 205103628 /nfs/dbraw/zinc/10/36/28/205103628.db2.gz KVRNFUYKVCWYOA-KRWDZBQOSA-N 0 0 384.907 4.756 50 0 GJAARN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)cc1 ZINC000046057420 205103766 /nfs/dbraw/zinc/10/37/66/205103766.db2.gz KKQRCDDKCHARBV-HXUWFJFHSA-N 0 0 387.483 4.614 50 0 GJAARN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cccc(Cl)c2)c1 ZINC000046057386 205103805 /nfs/dbraw/zinc/10/38/05/205103805.db2.gz RHOYYOGZDHYHFZ-GOSISDBHSA-N 0 0 393.874 4.705 50 0 GJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000046076218 205104305 /nfs/dbraw/zinc/10/43/05/205104305.db2.gz RBPUAPPNASLEED-HNNXBMFYSA-N 0 0 381.453 4.612 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3OC)no2)cc1 ZINC000046086789 205105322 /nfs/dbraw/zinc/10/53/22/205105322.db2.gz XHGISTNMLOBXCP-UHFFFAOYSA-N 0 0 396.443 4.790 50 0 GJAARN O=C(Nc1cccc2c1CCCC2)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364438 205133472 /nfs/dbraw/zinc/13/34/72/205133472.db2.gz UKDFYJYCFBLERA-HXUWFJFHSA-N 0 0 384.479 4.724 50 0 GJAARN C[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1cc(F)c(Cl)cc1Cl ZINC000054059851 205139675 /nfs/dbraw/zinc/13/96/75/205139675.db2.gz ZMXOBOFGUAYPGE-MRVPVSSYSA-N 0 0 397.262 4.537 50 0 GJAARN Cc1c(Cl)cccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000054254180 205140109 /nfs/dbraw/zinc/14/01/09/205140109.db2.gz FVAPZIJIBMZGAG-RMKNXTFCSA-N 0 0 385.964 4.676 50 0 GJAARN S=C(Nc1cccc2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055051885 205141236 /nfs/dbraw/zinc/14/12/36/205141236.db2.gz IEUCTEODZBJMPN-JXMROGBWSA-N 0 0 387.552 4.868 50 0 GJAARN COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 ZINC000055552722 205149485 /nfs/dbraw/zinc/14/94/85/205149485.db2.gz URKZEPWWMBRPIX-UHFFFAOYSA-N 0 0 384.435 4.520 50 0 GJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412337 205156434 /nfs/dbraw/zinc/15/64/34/205156434.db2.gz IULPBPVLYCEYJQ-UHFFFAOYSA-N 0 0 381.741 4.881 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412385 205157094 /nfs/dbraw/zinc/15/70/94/205157094.db2.gz DWHNCDJUNDVQKO-UHFFFAOYSA-N 0 0 376.243 4.953 50 0 GJAARN C[C@@H](N[C@@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000057452030 205157678 /nfs/dbraw/zinc/15/76/78/205157678.db2.gz GZIVWNPYFBUNDP-CWTRNNRKSA-N 0 0 390.430 4.872 50 0 GJAARN Cc1cccc(Cn2cccc(C(=O)Nc3ccc(-c4ccccc4)cn3)c2=O)c1 ZINC000063782885 205186771 /nfs/dbraw/zinc/18/67/71/205186771.db2.gz HZFFKXBCZAFPBZ-UHFFFAOYSA-N 0 0 395.462 4.519 50 0 GJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccsc2)cc1 ZINC000057896145 205161154 /nfs/dbraw/zinc/16/11/54/205161154.db2.gz MZKNANXEMPOVCT-UHFFFAOYSA-N 0 0 398.488 4.592 50 0 GJAARN O=C(NCCc1cccc2cccnc21)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000057984559 205161827 /nfs/dbraw/zinc/16/18/27/205161827.db2.gz KRWYIVHGXKKTGI-UHFFFAOYSA-N 0 0 389.455 4.641 50 0 GJAARN O=C(Nc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)s1)c1ccco1 ZINC000058325079 205172394 /nfs/dbraw/zinc/17/23/94/205172394.db2.gz WJFIEJQRBZJLEJ-UHFFFAOYSA-N 0 0 398.459 4.932 50 0 GJAARN CC(C)[C@H](NC(=O)Nc1cccc2ccccc21)c1nc(-c2cccnc2)no1 ZINC000058357023 205173952 /nfs/dbraw/zinc/17/39/52/205173952.db2.gz GXWKPFVONACUPC-IBGZPJMESA-N 0 0 387.443 4.804 50 0 GJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(N(C)C)c(F)c3)cc2)n1 ZINC000058429809 205175066 /nfs/dbraw/zinc/17/50/66/205175066.db2.gz UDZHXTTVBWBEEL-UHFFFAOYSA-N 0 0 396.491 4.702 50 0 GJAARN O=C(c1cnn(-c2ccccc2F)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000058835160 205178276 /nfs/dbraw/zinc/17/82/76/205178276.db2.gz JZNFMVUBAJBHIF-KRWDZBQOSA-N 0 0 383.854 4.512 50 0 GJAARN Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@H](C)c3cc(F)ccc3F)cc2)n1 ZINC000061139492 205181730 /nfs/dbraw/zinc/18/17/30/205181730.db2.gz VQLXSDWKDJNEMG-MRXNPFEDSA-N 0 0 383.442 4.660 50 0 GJAARN COc1cc(CCC(=O)N(C)c2ccc(C)cc2)ccc1OCC(F)(F)F ZINC000060352056 205182297 /nfs/dbraw/zinc/18/22/97/205182297.db2.gz CAZMNVLEVZUGDX-UHFFFAOYSA-N 0 0 381.394 4.540 50 0 GJAARN CCc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000064919545 205200632 /nfs/dbraw/zinc/20/06/32/205200632.db2.gz WTFXHMPFGBSYHS-UHFFFAOYSA-N 0 0 386.430 4.888 50 0 GJAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCc4cccc(Cl)c4)cc32)cc1 ZINC000064955905 205201521 /nfs/dbraw/zinc/20/15/21/205201521.db2.gz CAEWVHSNRMDTMW-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN C[C@@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccc(F)cc1 ZINC000064955865 205202350 /nfs/dbraw/zinc/20/23/50/205202350.db2.gz HJNBYAFYKCNPBS-OAHLLOKOSA-N 0 0 391.421 4.854 50 0 GJAARN Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CCC4CCCC4)ccc32)cc1 ZINC000064978083 205202864 /nfs/dbraw/zinc/20/28/64/205202864.db2.gz OXNWDPNKDMDTSU-UHFFFAOYSA-N 0 0 390.527 4.785 50 0 GJAARN CCCCOc1ccc(-c2cc3c(=O)n(Cc4ccc(F)cc4)ccn3n2)cc1 ZINC000064977373 205202891 /nfs/dbraw/zinc/20/28/91/205202891.db2.gz HVZJJJYRRSXQRB-UHFFFAOYSA-N 0 0 391.446 4.529 50 0 GJAARN O=C(NCCCc1ccccc1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968053 205203182 /nfs/dbraw/zinc/20/31/82/205203182.db2.gz BTECYUAVOGRTLP-UHFFFAOYSA-N 0 0 384.479 4.976 50 0 GJAARN CC(=O)Nc1ccc(F)c(C(=O)OCc2nc3ccccc3c(C)c2Cl)c1 ZINC000065027898 205207370 /nfs/dbraw/zinc/20/73/70/205207370.db2.gz 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ZINC000065147997 205213392 /nfs/dbraw/zinc/21/33/92/205213392.db2.gz CKDDFZABCPXPDQ-KRWDZBQOSA-N 0 0 392.528 4.539 50 0 GJAARN Cc1ccc(F)cc1NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153707 205214691 /nfs/dbraw/zinc/21/46/91/205214691.db2.gz ULTYKRZUGFTBIB-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCc1ccc(F)cc1 ZINC000064656254 205192146 /nfs/dbraw/zinc/19/21/46/205192146.db2.gz VPGALBBYEKFELL-UHFFFAOYSA-N 0 0 382.435 4.964 50 0 GJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1 ZINC000065194825 205216680 /nfs/dbraw/zinc/21/66/80/205216680.db2.gz BBLCDCJNIXRLKZ-UHFFFAOYSA-N 0 0 396.447 4.661 50 0 GJAARN O=C(C1CCCCC1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747141 205193915 /nfs/dbraw/zinc/19/39/15/205193915.db2.gz NMFYEYRWKPTORS-MRXNPFEDSA-N 0 0 393.409 4.999 50 0 GJAARN CC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000064819989 205196981 /nfs/dbraw/zinc/19/69/81/205196981.db2.gz OGXYBJLAOMQXEA-UHFFFAOYSA-N 0 0 391.446 4.946 50 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OBLMXTWFMGMUBM-MRXNPFEDSA-N 0 0 387.668 4.750 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1 ZINC000102721978 205633864 /nfs/dbraw/zinc/63/38/64/205633864.db2.gz QSQZKWXPNBEXBZ-IIBYNOLFSA-N 0 0 387.439 4.994 50 0 GJAARN Cc1noc(C)c1COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000022186640 211757056 /nfs/dbraw/zinc/75/70/56/211757056.db2.gz TZCQLYAKKUYNRD-UHFFFAOYSA-N 0 0 390.483 4.722 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000000951492 205705688 /nfs/dbraw/zinc/70/56/88/205705688.db2.gz ZACJIBFARCWICD-GOSISDBHSA-N 0 0 398.890 4.606 50 0 GJAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3)C[C@H]21 ZINC000001322808 205708940 /nfs/dbraw/zinc/70/89/40/205708940.db2.gz CBDXQNJHOXWFAA-AUSIDOKSSA-N 0 0 378.472 4.524 50 0 biogenic GJAARN CCCCC[C@@H](CC)Cn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 ZINC000003212976 205724273 /nfs/dbraw/zinc/72/42/73/205724273.db2.gz NGGPLTNYDWQNNP-OAHLLOKOSA-N 0 0 382.508 4.950 50 0 GJAARN O=C(CCn1c(=O)oc2ccccc21)OCc1sc2ccccc2c1Cl ZINC000021977972 211751840 /nfs/dbraw/zinc/75/18/40/211751840.db2.gz UWDYWASJBVUNGA-UHFFFAOYSA-N 0 0 387.844 4.596 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1ccccc1SC)CCCCC2 ZINC000004517419 205750161 /nfs/dbraw/zinc/75/01/61/205750161.db2.gz AVUNOOKVCDKNSO-UHFFFAOYSA-N 0 0 375.515 4.778 50 0 GJAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000004304996 205741220 /nfs/dbraw/zinc/74/12/20/205741220.db2.gz UBYNUOTWBNXRDC-LJQANCHMSA-N 0 0 381.863 4.859 50 0 GJAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NC1CCCCCCC1 ZINC000006890334 205781468 /nfs/dbraw/zinc/78/14/68/205781468.db2.gz QEAJTZZHYGCRCA-UHFFFAOYSA-N 0 0 379.500 4.668 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1Cc1ccco1 ZINC000007112893 205782224 /nfs/dbraw/zinc/78/22/24/205782224.db2.gz AHBSYPAZSSFTHB-MRXNPFEDSA-N 0 0 389.274 4.870 50 0 GJAARN COc1cc(CN(C)C(=O)/C=C/c2ccco2)ccc1OCc1ccccc1 ZINC000006994993 205784661 /nfs/dbraw/zinc/78/46/61/205784661.db2.gz FTUZLSSASODYNU-ACCUITESSA-N 0 0 377.440 4.539 50 0 GJAARN CCOc1ccc([C@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000021709796 211743946 /nfs/dbraw/zinc/74/39/46/211743946.db2.gz CLOVSWUMCUFGRT-LJQANCHMSA-N 0 0 393.512 4.890 50 0 GJAARN CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000008131956 205790192 /nfs/dbraw/zinc/79/01/92/205790192.db2.gz ZPSNQIFZTMRMIU-NRFANRHFSA-N 0 0 399.899 4.611 50 0 GJAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000005863896 205772883 /nfs/dbraw/zinc/77/28/83/205772883.db2.gz ILQRDOUYTLUMKR-UHFFFAOYSA-N 0 0 376.909 4.553 50 0 GJAARN COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(Cl)cc2Br)c1 ZINC000006646593 205778958 /nfs/dbraw/zinc/77/89/58/205778958.db2.gz LSBCPLCXYPMFPZ-FPYGCLRLSA-N 0 0 397.652 4.739 50 0 GJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000008358127 205794663 /nfs/dbraw/zinc/79/46/63/205794663.db2.gz JPYFWUUCQNNIFU-UHFFFAOYSA-N 0 0 388.467 4.806 50 0 GJAARN COc1ccc(CCNc2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)cc1OC ZINC000008225587 205793074 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CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1 ZINC000012225907 205872643 /nfs/dbraw/zinc/87/26/43/205872643.db2.gz UMSCFIPLUHFEPU-UHFFFAOYSA-N 0 0 377.448 4.961 50 0 GJAARN C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 ZINC000014808470 205899599 /nfs/dbraw/zinc/89/95/99/205899599.db2.gz OTRSECPDOYTMEK-SNVBAGLBSA-N 0 0 392.299 4.533 50 0 GJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)c1ccccc1 ZINC000014112276 205893983 /nfs/dbraw/zinc/89/39/83/205893983.db2.gz MNNWPGJDFOBLRO-CYBMUJFWSA-N 0 0 386.904 4.823 50 0 GJAARN O=C(CCN1CCSC1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000021668311 205934391 /nfs/dbraw/zinc/93/43/91/205934391.db2.gz XDFBNSHZXZFKSM-UHFFFAOYSA-N 0 0 399.497 4.586 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)CSCCOc1cccc(C)c1 ZINC000024066446 205976086 /nfs/dbraw/zinc/97/60/86/205976086.db2.gz PIVXMOMXHYMYAY-UHFFFAOYSA-N 0 0 379.909 4.716 50 0 GJAARN COc1ccc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)c(OC)c1 ZINC000025316256 205981859 /nfs/dbraw/zinc/98/18/59/205981859.db2.gz 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CCN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc(Br)cn1 ZINC000119705090 211475534 /nfs/dbraw/zinc/47/55/34/211475534.db2.gz DGGUGKCMWSHRNC-UHFFFAOYSA-N 0 0 389.224 4.910 50 0 GJAARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102709913 211414974 /nfs/dbraw/zinc/41/49/74/211414974.db2.gz URNTYBFRRNEZPE-MLCYQJTMSA-N 0 0 384.411 4.683 50 0 GJAARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000102614732 211412639 /nfs/dbraw/zinc/41/26/39/211412639.db2.gz ICWNWCRWRFXGFI-XCLFUZPHSA-N 0 0 392.846 4.702 50 0 GJAARN O=C(/C=C\c1ccc(Br)s1)OCc1cc(-c2cccs2)on1 ZINC000098053980 211378002 /nfs/dbraw/zinc/37/80/02/211378002.db2.gz FNNYOPPUBAGDTQ-XQRVVYSFSA-N 0 0 396.287 4.984 50 0 GJAARN O=C(/C=C\c1ccc(-c2ccccc2F)o1)Nc1nnc(C(F)(F)F)s1 ZINC000098055102 211377568 /nfs/dbraw/zinc/37/75/68/211377568.db2.gz JEYIKFHGRNWITF-VURMDHGXSA-N 0 0 383.326 4.608 50 0 GJAARN COc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1OC ZINC000098073260 211377758 /nfs/dbraw/zinc/37/77/58/211377758.db2.gz 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O=C(/C=C\c1ccccc1OC(F)F)N1CCC(c2nc3ccccc3o2)CC1 ZINC000096129628 211304184 /nfs/dbraw/zinc/30/41/84/211304184.db2.gz JZBKVNXSNYTGLE-KTKRTIGZSA-N 0 0 398.409 4.849 50 0 GJAARN CC(=O)N1CCc2cc(NC(=O)/C=C\c3ccc(Cl)c(Cl)c3)ccc21 ZINC000096124585 211302745 /nfs/dbraw/zinc/30/27/45/211302745.db2.gz KYAYTLITZUFDJS-CLTKARDFSA-N 0 0 375.255 4.554 50 0 GJAARN CCc1nc(C)c([C@H](C)N(C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)s1 ZINC000096007799 211295349 /nfs/dbraw/zinc/29/53/49/211295349.db2.gz RFLUEKIJEQCZBR-AWEZNQCLSA-N 0 0 399.516 4.649 50 0 GJAARN CC[C@@H](C)Sc1ccc(NC(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)c1 ZINC000096006821 211293101 /nfs/dbraw/zinc/29/31/01/211293101.db2.gz ZDABIBOVMRZBKN-CVEARBPZSA-N 0 0 378.538 4.693 50 0 GJAARN CCSCc1ccnc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1 ZINC000095976909 211291368 /nfs/dbraw/zinc/29/13/68/211291368.db2.gz LUUUBVVJTCTJFV-UHFFFAOYSA-N 0 0 399.541 4.931 50 0 GJAARN Cc1cc(CSc2ncccc2C(=O)Nc2cc(Cl)c(Cl)cn2)no1 ZINC000095962659 211288658 /nfs/dbraw/zinc/28/86/58/211288658.db2.gz 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CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc3c(c2)OCO3)S1 ZINC000085412052 211175226 /nfs/dbraw/zinc/17/52/26/211175226.db2.gz JDTPWIYKBAIGRB-GOSISDBHSA-N 0 0 385.489 4.687 50 0 GJAARN COc1ccccc1-c1nnc(SCCCC(C)=O)n1CCc1ccccc1 ZINC000084671256 211171905 /nfs/dbraw/zinc/17/19/05/211171905.db2.gz OXGDGKPSZPSASQ-UHFFFAOYSA-N 0 0 395.528 4.658 50 0 GJAARN Cc1cccc(OC[C@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)c1 ZINC000082086473 211158895 /nfs/dbraw/zinc/15/88/95/211158895.db2.gz HGNUBXDSPNKWGV-OAQYLSRUSA-N 0 0 386.495 4.684 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cn2)C12CCCC2 ZINC000079479899 211155938 /nfs/dbraw/zinc/15/59/38/211155938.db2.gz FUDVRPJCORBFFH-DYESRHJHSA-N 0 0 391.515 4.679 50 0 GJAARN Cc1c(Br)cccc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000079107022 211155864 /nfs/dbraw/zinc/15/58/64/211155864.db2.gz IPXCIUMWSZJVRW-CYBMUJFWSA-N 0 0 391.265 4.569 50 0 GJAARN Cc1ccc2nc(C)c(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2c1 ZINC000084208273 211167394 /nfs/dbraw/zinc/16/73/94/211167394.db2.gz 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211133874 /nfs/dbraw/zinc/13/38/74/211133874.db2.gz SGDJHXIQWPDNSQ-IBGZPJMESA-N 0 0 377.941 4.567 50 0 GJAARN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2cc(C)n[nH]2)cc1 ZINC000072420495 211115975 /nfs/dbraw/zinc/11/59/75/211115975.db2.gz UNOOLNZTWGJRAE-UHFFFAOYSA-N 0 0 386.499 4.882 50 0 GJAARN COc1ccccc1-c1nc2cc(Cl)ccc2cc1CN(C)Cc1cc[nH]n1 ZINC000072426760 211118593 /nfs/dbraw/zinc/11/85/93/211118593.db2.gz CLPFYLOXDLJJET-UHFFFAOYSA-N 0 0 392.890 4.919 50 0 GJAARN COc1cc(C(=O)N2CC=C(c3ccccc3)CC2)nc2c(C)cc(F)cc12 ZINC000072328781 211092121 /nfs/dbraw/zinc/09/21/21/211092121.db2.gz KAJDRJUHWVJIBB-UHFFFAOYSA-N 0 0 376.431 4.620 50 0 GJAARN CC(C)c1ccc(CNC(=O)c2c[nH]nc2-c2cccc(Br)c2)cc1 ZINC000072329043 211092143 /nfs/dbraw/zinc/09/21/43/211092143.db2.gz FWODXWIRSDVGEQ-UHFFFAOYSA-N 0 0 398.304 4.893 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)[nH]n2)cc1 ZINC000072331560 211091792 /nfs/dbraw/zinc/09/17/92/211091792.db2.gz BFAPAGULURQHGB-UHFFFAOYSA-N 0 0 383.879 4.839 50 0 GJAARN CCN(CC(=O)NCc1cccc(COCc2ccccc2)c1)c1ccccc1 ZINC000071812696 211064122 /nfs/dbraw/zinc/06/41/22/211064122.db2.gz MHSGRCOAAPNAIV-UHFFFAOYSA-N 0 0 388.511 4.546 50 0 GJAARN CCN(C(=O)Cn1nc(C)nc1-c1ccc2ccccc2c1)C1CCCCC1 ZINC000071794738 211062672 /nfs/dbraw/zinc/06/26/72/211062672.db2.gz YGDHLMPYBQSVOB-UHFFFAOYSA-N 0 0 376.504 4.588 50 0 GJAARN Cc1noc(C)c1CC(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1 ZINC000071730374 211051751 /nfs/dbraw/zinc/05/17/51/211051751.db2.gz PTEIWTLVFZVKNB-UHFFFAOYSA-N 0 0 391.446 4.746 50 0 GJAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071551770 211050061 /nfs/dbraw/zinc/05/00/61/211050061.db2.gz GMIBKZSNOLHVQW-HNNXBMFYSA-N 0 0 380.410 4.795 50 0 GJAARN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000070013178 211040005 /nfs/dbraw/zinc/04/00/05/211040005.db2.gz OWQVHNQAXLZHSI-GJZGRUSLSA-N 0 0 388.439 4.576 50 0 GJAARN CC(C)CCn1cc(C(=O)Nc2cccc3c2ccn3C)c2ccccc2c1=O ZINC000070666494 211040196 /nfs/dbraw/zinc/04/01/96/211040196.db2.gz 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4.547 50 0 GJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(C)c2)nc1 ZINC000067294220 211006571 /nfs/dbraw/zinc/00/65/71/211006571.db2.gz ZOEXKMLGPHDVRJ-LCUIJRPUSA-N 0 0 399.450 4.943 50 0 GJAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000067257524 211005580 /nfs/dbraw/zinc/00/55/80/211005580.db2.gz ADNVAFGAASTCMH-UHFFFAOYSA-N 0 0 399.903 4.845 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1cccs1 ZINC000067259523 211005794 /nfs/dbraw/zinc/00/57/94/211005794.db2.gz PUVUZQQHQHFJRM-UHFFFAOYSA-N 0 0 382.485 4.938 50 0 GJAARN CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1ccc(Cl)s1 ZINC000065381912 210990765 /nfs/dbraw/zinc/99/07/65/210990765.db2.gz UAZPGJYIGVGPQF-LLVKDONJSA-N 0 0 378.881 4.623 50 0 GJAARN CN(C(=O)c1cccs1)c1ccccc1-c1n[nH]c(CCc2ccccc2)n1 ZINC000065372495 210989919 /nfs/dbraw/zinc/98/99/19/210989919.db2.gz PMEXSJSRUXZLHD-UHFFFAOYSA-N 0 0 388.496 4.595 50 0 GJAARN C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1)c1ccc(F)cc1 ZINC000065153775 210968918 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CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)c(F)c1 ZINC000041076936 221936519 /nfs/dbraw/zinc/93/65/19/221936519.db2.gz KTJGWKGQLSUIJM-UHFFFAOYSA-N 0 0 381.451 4.646 50 0 GJAARN COCCNc1c(-c2ccc(OC)cc2)nc2sc3cc(Cl)ccc3n21 ZINC000064668470 222077512 /nfs/dbraw/zinc/07/75/12/222077512.db2.gz MKCPJEWPMWMYPV-UHFFFAOYSA-N 0 0 387.892 4.936 50 0 GJAARN CCc1ccccc1-n1nnc(-c2nc(-c3ccc(C)cc3C)cs2)c1N ZINC000064664566 222078113 /nfs/dbraw/zinc/07/81/13/222078113.db2.gz WOUVNUSYUXYFAD-UHFFFAOYSA-N 0 0 375.501 4.819 50 0 GJAARN Cc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)cs3)c2N)cc1F ZINC000064664544 222078392 /nfs/dbraw/zinc/07/83/92/222078392.db2.gz QMLUUSKUGWAVIJ-UHFFFAOYSA-N 0 0 385.855 4.741 50 0 GJAARN CCc1ccc(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)cc1 ZINC000064664539 222078508 /nfs/dbraw/zinc/07/85/08/222078508.db2.gz DGRNEUIPTSYOJA-UHFFFAOYSA-N 0 0 399.882 4.995 50 0 GJAARN Cc1cccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC000064675551 222079731 /nfs/dbraw/zinc/07/97/31/222079731.db2.gz ZEDPJJMOHOTUNE-UHFFFAOYSA-N 0 0 387.458 4.698 50 0 GJAARN CCc1ccc(-c2cn3c(C(=O)N(C)[C@@H](C)c4ccccn4)csc3n2)cc1 ZINC000067850063 222164172 /nfs/dbraw/zinc/16/41/72/222164172.db2.gz TXQUBTSOBUDNAY-HNNXBMFYSA-N 0 0 390.512 4.853 50 0 GJAARN COc1ccccc1COc1ccccc1-c1cc(C(=O)N2CCCC2)ccn1 ZINC000426504495 534097258 /nfs/dbraw/zinc/09/72/58/534097258.db2.gz OLFZLBWXJPUPPA-UHFFFAOYSA-N 0 0 388.467 4.572 50 0 GJAARN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)C3=CCCCC3)csc2C1 ZINC000426574683 534365326 /nfs/dbraw/zinc/36/53/26/534365326.db2.gz HANIHNXBLNRGTA-AWEZNQCLSA-N 0 0 399.560 4.530 50 0 GJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c1 ZINC000008231955 520561172 /nfs/dbraw/zinc/56/11/72/520561172.db2.gz OVSBFTZTEQZFJR-UHFFFAOYSA-N 0 0 387.483 4.847 50 0 GJAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(OC)c3OC)ccc2n1 ZINC000004757335 520876498 /nfs/dbraw/zinc/87/64/98/520876498.db2.gz QMPLMVWNSZUVFB-UHFFFAOYSA-N 0 0 393.487 4.659 50 0 GJAARN COCCn1c2ccccc2nc1S[C@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000003448052 522076516 /nfs/dbraw/zinc/07/65/16/522076516.db2.gz KXCNGXBJDVGGFE-OAHLLOKOSA-N 0 0 393.512 4.836 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C)n2)C12CCCC2 ZINC000079495418 522109510 /nfs/dbraw/zinc/10/95/10/522109510.db2.gz CIVXLHSFBZBSFR-UTKZUKDTSA-N 0 0 391.515 4.679 50 0 GJAARN O=C(c1ccc(OCc2ccccc2)cc1)N1CCC(F)(c2ccccn2)CC1 ZINC000408517328 534718819 /nfs/dbraw/zinc/71/88/19/534718819.db2.gz GWQJHNXSVUXWDW-UHFFFAOYSA-N 0 0 390.458 4.762 50 0 GJAARN Fc1ccccc1-c1nc2ccccc2c(N2CCN(c3ccccc3)CC2)n1 ZINC000000753026 526407536 /nfs/dbraw/zinc/40/75/36/526407536.db2.gz RHWPOMMEZPJCJP-UHFFFAOYSA-N 0 0 384.458 4.763 50 0 GJAARN CCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000001263138 528632914 /nfs/dbraw/zinc/63/29/14/528632914.db2.gz IUDXWTVDNRPVKR-UHFFFAOYSA-N 0 0 378.394 4.957 50 0 GJAARN O=c1cc(-c2ccccc2)oc2c(Br)cc(Br)cc12 ZINC000000637201 560178573 /nfs/dbraw/zinc/17/85/73/560178573.db2.gz OTCPQWYHYLBCIW-UHFFFAOYSA-N 0 0 380.035 4.985 50 0 biogenic,in-vitro GJAARN CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC ZINC000003861027 560190287 /nfs/dbraw/zinc/19/02/87/560190287.db2.gz WTLBZVNBAKMVDP-UHFFFAOYSA-N 0 0 398.477 4.594 50 0 in-vitro GJAARN CN(C)c1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccccc1 ZINC000000588938 570210747 /nfs/dbraw/zinc/21/07/47/570210747.db2.gz XRYWENHMOJRTPP-UHFFFAOYSA-N 0 0 397.283 4.547 50 0 GJAARN COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(OC)cc1Cl ZINC000000636774 570212410 /nfs/dbraw/zinc/21/24/10/570212410.db2.gz HZRZFGLWGLKINB-UHFFFAOYSA-N 0 0 377.868 4.672 50 0 GJAARN COc1ccc(OC)c(NC(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000000640907 570213565 /nfs/dbraw/zinc/21/35/65/570213565.db2.gz GHQRJQMSQDBWDI-UHFFFAOYSA-N 0 0 379.254 4.727 50 0 GJAARN COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)cc(OC)c1OC ZINC000000640438 570213676 /nfs/dbraw/zinc/21/36/76/570213676.db2.gz LBJWTUPCHYTTQT-UHFFFAOYSA-N 0 0 390.483 4.738 50 0 GJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000643660 570213945 /nfs/dbraw/zinc/21/39/45/570213945.db2.gz LOBYXIXZTYJWQB-UHFFFAOYSA-N 0 0 383.706 4.918 50 0 GJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2)n1CC ZINC000000650424 570214297 /nfs/dbraw/zinc/21/42/97/570214297.db2.gz OHWKJVCQPWCNNB-UHFFFAOYSA-N 0 0 394.544 4.821 50 0 GJAARN Cc1nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c(C)c1C ZINC000000655549 570214715 /nfs/dbraw/zinc/21/47/15/570214715.db2.gz NPESYAPJIHBZLW-UHFFFAOYSA-N 0 0 375.291 4.797 50 0 GJAARN Brc1ccc2c(c1)[C@H]1Oc3ccc(Br)cc3[C@@H](O2)O1 ZINC000000674813 570216133 /nfs/dbraw/zinc/21/61/33/570216133.db2.gz WFDANGIGTVZSIQ-KBPBESRZSA-N 0 0 384.023 4.710 50 0 GJAARN Cc1nnc([C@@H](C)Sc2nc3ccccc3c(=O)n2CCC2=CCCCC2)o1 ZINC000048187418 570220548 /nfs/dbraw/zinc/22/05/48/570220548.db2.gz SUONBDBRVRHEMO-CQSZACIVSA-N 0 0 396.516 4.832 50 0 GJAARN Cn1c2ccccc2n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1=N ZINC000019805575 570220670 /nfs/dbraw/zinc/22/06/70/570220670.db2.gz SEIVTORZVHMTBH-UHFFFAOYSA-N 0 0 393.531 4.643 50 0 GJAARN COc1ccc(C(=O)N[C@@H](Sc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000000725816 570221194 /nfs/dbraw/zinc/22/11/94/570221194.db2.gz TUXXXYNQMRPODQ-HNNXBMFYSA-N 0 0 390.719 4.914 50 0 GJAARN COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000000741781 570221559 /nfs/dbraw/zinc/22/15/59/570221559.db2.gz PWVZWPDIGZZBEX-UHFFFAOYSA-N 0 0 390.439 4.517 50 0 GJAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)c1 ZINC000015729467 570221605 /nfs/dbraw/zinc/22/16/05/570221605.db2.gz RKWRDJPRNRBQEF-UHFFFAOYSA-N 0 0 395.455 4.974 50 0 GJAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000048235167 570221689 /nfs/dbraw/zinc/22/16/89/570221689.db2.gz GBEYAZFKIGSGET-GOSISDBHSA-N 0 0 386.517 4.750 50 0 GJAARN Cc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1Cl ZINC000000753588 570221944 /nfs/dbraw/zinc/22/19/44/570221944.db2.gz XNWDSBUGOCKABZ-YBFXNURJSA-N 0 0 392.867 4.679 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000000755058 570222397 /nfs/dbraw/zinc/22/23/97/570222397.db2.gz QWZIDJDSJNJVBQ-QFIPXVFZSA-N 0 0 385.463 4.808 50 0 GJAARN Brc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1 ZINC000000784061 570223164 /nfs/dbraw/zinc/22/31/64/570223164.db2.gz IBMIOGCJGUITTC-UHFFFAOYSA-N 0 0 387.262 4.668 50 0 aggregator GJAARN Cc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019828052 570223129 /nfs/dbraw/zinc/22/31/29/570223129.db2.gz SEOTUMPKDVMMPB-WUKNDPDISA-N 0 0 396.534 4.942 50 0 GJAARN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019827564 570223344 /nfs/dbraw/zinc/22/33/44/570223344.db2.gz XHQJYSCHUQBXDN-RPBOFIJWSA-N 0 0 396.534 4.724 50 0 GJAARN Clc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5)nn43)[nH]n2)cc1 ZINC000019827356 570223364 /nfs/dbraw/zinc/22/33/64/570223364.db2.gz QQHHPKAUECVTIF-UHFFFAOYSA-N 0 0 378.848 4.563 50 0 GJAARN Cc1cc(C)cc(NC(=O)N2CCCN(c3c(Cl)cncc3Cl)CC2)c1 ZINC000019834973 570223656 /nfs/dbraw/zinc/22/36/56/570223656.db2.gz KXPPLVQWWFPALP-UHFFFAOYSA-N 0 0 393.318 4.749 50 0 GJAARN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCC[C@@H]1c1nccs1 ZINC000175384778 570223847 /nfs/dbraw/zinc/22/38/47/570223847.db2.gz OGEZPBBKWYDKOC-CQSZACIVSA-N 0 0 391.345 4.507 50 0 GJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000799830 570223930 /nfs/dbraw/zinc/22/39/30/570223930.db2.gz HPTUNXJZJQHZRM-FQEVSTJZSA-N 0 0 391.858 4.760 50 0 GJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000000812051 570224783 /nfs/dbraw/zinc/22/47/83/570224783.db2.gz FLGMBOAWQJXKPY-UHFFFAOYSA-N 0 0 386.407 4.946 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000847212 570226400 /nfs/dbraw/zinc/22/64/00/570226400.db2.gz WLSMTDORUUFTOK-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN CC(C)Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1F ZINC000048250751 570226494 /nfs/dbraw/zinc/22/64/94/570226494.db2.gz XTOAYHGEZYIUAT-UHFFFAOYSA-N 0 0 381.480 4.909 50 0 GJAARN CC[C@H](CO)Nc1nc(-c2ccncc2)nc2scc(-c3ccc(C)cc3)c21 ZINC000012812466 570226687 /nfs/dbraw/zinc/22/66/87/570226687.db2.gz GCIYLBWLGFMZHL-QGZVFWFLSA-N 0 0 390.512 4.912 50 0 GJAARN O=C(c1cccc2cc[nH]c21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019862154 570226704 /nfs/dbraw/zinc/22/67/04/570226704.db2.gz VHFFHNVDCRIKGN-UHFFFAOYSA-N 0 0 395.506 4.715 50 0 GJAARN O=C(N[C@H](Nc1cccc2ccccc21)C(=O)c1ccccc1)c1cccs1 ZINC000001452568 570226717 /nfs/dbraw/zinc/22/67/17/570226717.db2.gz FSQVOTMEDWENOI-QFIPXVFZSA-N 0 0 386.476 4.952 50 0 GJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1)CO3 ZINC000019890915 570228043 /nfs/dbraw/zinc/22/80/43/570228043.db2.gz WQSYBHYGVJNMSJ-UHFFFAOYSA-N 0 0 383.875 4.712 50 0 biogenic GJAARN N=c1n(CCCOc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1 ZINC000019900340 570228882 /nfs/dbraw/zinc/22/88/82/570228882.db2.gz CUZKIAWWRBJFLM-UHFFFAOYSA-N 0 0 375.447 4.579 50 0 GJAARN Cc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911387 570229342 /nfs/dbraw/zinc/22/93/42/570229342.db2.gz GPHOIVMNEGWDBB-UHFFFAOYSA-N 0 0 386.402 4.553 50 0 GJAARN Cc1cccc(OCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000006053203 570229744 /nfs/dbraw/zinc/22/97/44/570229744.db2.gz LLMQRVJAIHDXCU-UHFFFAOYSA-N 0 0 382.529 4.937 50 0 GJAARN CCOC(=O)c1c2cc(OCC(=O)OC(C)(C)C)ccc2oc1C(C)(C)C ZINC000001463696 570230150 /nfs/dbraw/zinc/23/01/50/570230150.db2.gz IMKVLOXFMKROMI-UHFFFAOYSA-N 0 0 376.449 4.628 50 0 biogenic GJAARN COc1ccc(N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000000939590 570230302 /nfs/dbraw/zinc/23/03/02/570230302.db2.gz QKSSLWPCGDOTIR-INIZCTEOSA-N 0 0 387.694 4.542 50 0 GJAARN O=C(c1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019928958 570230401 /nfs/dbraw/zinc/23/04/01/570230401.db2.gz PBNJCINTNHFLBJ-UHFFFAOYSA-N 0 0 392.449 4.512 50 0 GJAARN COC(=O)c1sc2nc(C)nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c2c1C ZINC000048277222 570230544 /nfs/dbraw/zinc/23/05/44/570230544.db2.gz WBDFCIRTOPFTQG-QWRGUYRKSA-N 0 0 387.427 4.628 50 0 GJAARN CC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000000955564 570231423 /nfs/dbraw/zinc/23/14/23/570231423.db2.gz DJTGHZOFECCPTD-UHFFFAOYSA-N 0 0 379.304 4.802 50 0 GJAARN Cc1sc2ncnc(SCC(=O)c3ccc(OC(F)F)cc3)c2c1C ZINC000000952970 570231575 /nfs/dbraw/zinc/23/15/75/570231575.db2.gz KUPAAIHKJLLRAK-UHFFFAOYSA-N 0 0 380.441 4.885 50 0 GJAARN COc1cc(Br)cc(C)c1NC(=O)c1ccc2nc(C)ccc2c1 ZINC000129662264 570233620 /nfs/dbraw/zinc/23/36/20/570233620.db2.gz FNUHOKUWCIVZKV-UHFFFAOYSA-N 0 0 385.261 4.875 50 0 GJAARN CCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(=O)OC(C)C ZINC000000994705 570233942 /nfs/dbraw/zinc/23/39/42/570233942.db2.gz RPYKPAAQODHQMI-UHFFFAOYSA-N 0 0 375.490 4.835 50 0 GJAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 ZINC000000994692 570234042 /nfs/dbraw/zinc/23/40/42/570234042.db2.gz JREODLFWCINSBM-UHFFFAOYSA-N 0 0 375.465 4.974 50 0 GJAARN Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1Cl ZINC000023308384 570234110 /nfs/dbraw/zinc/23/41/10/570234110.db2.gz XFZHFOGUHDHWJX-UHFFFAOYSA-N 0 0 388.920 4.698 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2Br)cc1 ZINC000048301293 570234614 /nfs/dbraw/zinc/23/46/14/570234614.db2.gz VZVHOQKNBCSTCV-KRWDZBQOSA-N 0 0 393.256 4.966 50 0 GJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 ZINC000001013847 570235060 /nfs/dbraw/zinc/23/50/60/570235060.db2.gz IWEJNPFDQVLAAY-LICLKQGHSA-N 0 0 388.876 4.845 50 0 GJAARN O=S(=O)(NCc1c(Cl)cccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000001024357 570235439 /nfs/dbraw/zinc/23/54/39/570235439.db2.gz FFCDCTDPRLINOW-UHFFFAOYSA-N 0 0 391.851 4.750 50 0 GJAARN CN(C)c1ccccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000044082095 570235562 /nfs/dbraw/zinc/23/55/62/570235562.db2.gz KTUHTAMVDGIAJW-UHFFFAOYSA-N 0 0 380.517 4.774 50 0 GJAARN Cc1ccc(C)c(COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)c1 ZINC000006079232 570235684 /nfs/dbraw/zinc/23/56/84/570235684.db2.gz YJZNAZBDRPKWGE-UHFFFAOYSA-N 0 0 387.479 4.933 50 0 GJAARN CCOC(=O)c1cnc(Sc2ccc(F)c(Cl)c2)nc1C(F)(F)F ZINC000001027299 570235732 /nfs/dbraw/zinc/23/57/32/570235732.db2.gz MJINVZFJAPWNQU-UHFFFAOYSA-N 0 0 380.750 4.616 50 0 GJAARN Cc1ccc(-n2cccc2)c(-n2c(C)nc3ccc(Br)cc3c2=O)c1 ZINC000001033198 570236256 /nfs/dbraw/zinc/23/62/56/570236256.db2.gz IQNUSZMHODFGBW-UHFFFAOYSA-N 0 0 394.272 4.556 50 0 GJAARN O=c1/c(=C/c2cccs2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000001036592 570236818 /nfs/dbraw/zinc/23/68/18/570236818.db2.gz VZLYHHPWDPZCGC-JXAWBTAJSA-N 0 0 386.501 4.699 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023311827 570237204 /nfs/dbraw/zinc/23/72/04/570237204.db2.gz MOHAINHZTPFILW-QHCPKHFHSA-N 0 0 392.449 4.512 50 0 GJAARN COC(=O)c1ccc(Cl)cc1NC(=O)c1cccnc1Oc1ccccc1 ZINC000001040787 570237558 /nfs/dbraw/zinc/23/75/58/570237558.db2.gz IQZCQCSGFPUOSB-UHFFFAOYSA-N 0 0 382.803 4.566 50 0 GJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nnc(C2CC2)s1 ZINC000001040795 570237629 /nfs/dbraw/zinc/23/76/29/570237629.db2.gz AZPBMTODJDXTCY-UHFFFAOYSA-N 0 0 395.271 4.938 50 0 GJAARN COc1ccc(CCNC(=S)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000001041891 570237676 /nfs/dbraw/zinc/23/76/76/570237676.db2.gz ZRCVXKFNEWGPCQ-UHFFFAOYSA-N 0 0 385.316 4.540 50 0 GJAARN COc1ccc(O[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000001050843 570238724 /nfs/dbraw/zinc/23/87/24/570238724.db2.gz ISEYJDOWMVDUJC-MRXNPFEDSA-N 0 0 388.678 4.509 50 0 GJAARN C[C@@H](NC(=O)CSc1ncnc2sccc21)C12CC3CC(CC(C3)C1)C2 ZINC000006083363 570239239 /nfs/dbraw/zinc/23/92/39/570239239.db2.gz OFZONIUTVYGVRV-JSFDKUKPSA-N 0 0 387.574 4.505 50 0 GJAARN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Br)o1 ZINC000001065213 570239809 /nfs/dbraw/zinc/23/98/09/570239809.db2.gz ZKJLCZAAIZJEEX-UHFFFAOYSA-N 0 0 383.673 4.938 50 0 GJAARN Cc1ccc(S[C@H](C)C(=O)Nc2cccc(I)c2)cc1 ZINC000001066143 570239858 /nfs/dbraw/zinc/23/98/58/570239858.db2.gz WPRZIBDUYZMYGQ-GFCCVEGCSA-N 0 0 397.281 4.719 50 0 GJAARN CCC(=O)n1nc(NCc2ccc(CC)cc2)nc1NCc1ccc(CC)cc1 ZINC000001070653 570240127 /nfs/dbraw/zinc/24/01/27/570240127.db2.gz OPCJSGGUOZPRQB-UHFFFAOYSA-N 0 0 391.519 4.677 50 0 GJAARN CCc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 ZINC000001072451 570240577 /nfs/dbraw/zinc/24/05/77/570240577.db2.gz JZCUYPSUXPCIMV-CYBMUJFWSA-N 0 0 377.271 4.547 50 0 GJAARN 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Cc1ccsc1/C=C/C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 ZINC000022472675 570347100 /nfs/dbraw/zinc/34/71/00/570347100.db2.gz ISBWDQBKTGGYCT-ONEGZZNKSA-N 0 0 380.445 4.732 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000004854438 570349055 /nfs/dbraw/zinc/34/90/55/570349055.db2.gz XJAXMONLRVHUGQ-OAQYLSRUSA-N 0 0 397.425 4.802 50 0 GJAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000003764483 570350619 /nfs/dbraw/zinc/35/06/19/570350619.db2.gz RKNMMUJPEGNVRE-UHFFFAOYSA-N 0 0 386.407 4.703 50 0 GJAARN C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000004871115 570352133 /nfs/dbraw/zinc/35/21/33/570352133.db2.gz OKBZCQOAZNRUQV-ZWNOBZJWSA-N 0 0 383.872 4.546 50 0 GJAARN CCOc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c[nH]2)c1 ZINC000004873830 570352771 /nfs/dbraw/zinc/35/27/71/570352771.db2.gz NFTJXMNUNJLBPV-UHFFFAOYSA-N 0 0 387.892 4.860 50 0 aggregator GJAARN CC(C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000004875246 570353052 /nfs/dbraw/zinc/35/30/52/570353052.db2.gz WZYMNTBAVBSLSS-UHFFFAOYSA-N 0 0 395.452 4.953 50 0 GJAARN CC(C)COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000003958880 570353676 /nfs/dbraw/zinc/35/36/76/570353676.db2.gz POCBGDLVFATXNY-UHFFFAOYSA-N 0 0 376.250 4.514 50 0 GJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Br)o1 ZINC000004030232 570354969 /nfs/dbraw/zinc/35/49/69/570354969.db2.gz LQWWETCIOQPMTO-UHFFFAOYSA-N 0 0 398.216 4.806 50 0 GJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(Cc3ccccc3Cl)c2=O)c1 ZINC000004882387 570355487 /nfs/dbraw/zinc/35/54/87/570355487.db2.gz DNCJQZQKEIXFSS-UHFFFAOYSA-N 0 0 396.899 4.532 50 0 GJAARN CCOc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000004889995 570356526 /nfs/dbraw/zinc/35/65/26/570356526.db2.gz PERVRBJYJIZIIQ-UHFFFAOYSA-N 0 0 379.485 4.518 50 0 GJAARN COc1ccc(C(=O)c2sc3nc(-c4ccccc4OC)ccc3c2N)cc1 ZINC000035324197 570357386 /nfs/dbraw/zinc/35/73/86/570357386.db2.gz QRYJSHPUDMUYDE-UHFFFAOYSA-N 0 0 390.464 4.794 50 0 GJAARN Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000575616534 570357373 /nfs/dbraw/zinc/35/73/73/570357373.db2.gz JXJCTCJOHAYTFI-KRWDZBQOSA-N 0 0 388.496 4.555 50 0 GJAARN CCOc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 ZINC000004910611 570363229 /nfs/dbraw/zinc/36/32/29/570363229.db2.gz WDUCHJAWSDBYGI-UHFFFAOYSA-N 0 0 387.439 4.900 50 0 GJAARN C[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000008239150 570364833 /nfs/dbraw/zinc/36/48/33/570364833.db2.gz ZMRFNNXFXCWNIF-STQMWFEESA-N 0 0 388.261 4.840 50 0 GJAARN O=c1c2c(-c3ccccc3)csc2nc2n1N=C(c1ccc(F)cc1)CS2 ZINC000008230057 570367232 /nfs/dbraw/zinc/36/72/32/570367232.db2.gz HIFFFPGGFLSHNX-UHFFFAOYSA-N 0 0 393.468 4.622 50 0 GJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1cccc(Br)c1 ZINC000006307631 570367370 /nfs/dbraw/zinc/36/73/70/570367370.db2.gz ABTIUSGHJGVVAC-UHFFFAOYSA-N 0 0 392.293 4.773 50 0 GJAARN CCOc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000006304075 570367775 /nfs/dbraw/zinc/36/77/75/570367775.db2.gz HIUUJPHHLYTYMW-UHFFFAOYSA-N 0 0 377.440 4.682 50 0 GJAARN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000023646540 570368050 /nfs/dbraw/zinc/36/80/50/570368050.db2.gz QPMXXKBAOSTMBB-HNNXBMFYSA-N 0 0 386.245 4.757 50 0 GJAARN COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)c2cccs2)cc1 ZINC000004335043 570369048 /nfs/dbraw/zinc/36/90/48/570369048.db2.gz AZXOSZOXKFBQGD-UGKGYDQZSA-N 0 0 388.492 4.921 50 0 GJAARN CC(C)N(C(C)C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O ZINC000004336617 570369423 /nfs/dbraw/zinc/36/94/23/570369423.db2.gz VPUHAFIOZRIUGE-OAQYLSRUSA-N 0 0 383.923 4.599 50 0 GJAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCc1cccnc1 ZINC000004923837 570370173 /nfs/dbraw/zinc/37/01/73/570370173.db2.gz LSYLLLLHSPSFNZ-UHFFFAOYSA-N 0 0 397.931 4.571 50 0 GJAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)nc(C)c(=O)n3C2CCCC2)no1 ZINC000035481933 570373467 /nfs/dbraw/zinc/37/34/67/570373467.db2.gz HZNYDDFMERWMSV-UHFFFAOYSA-N 0 0 392.484 4.907 50 0 GJAARN Cc1ccccc1-c1nn(CN(C)Cc2nc3ccccc3s2)c(=S)n1C ZINC000023851146 570373532 /nfs/dbraw/zinc/37/35/32/570373532.db2.gz IFMNHPJYUIEVDV-UHFFFAOYSA-N 0 0 395.557 4.626 50 0 GJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 ZINC000004935244 570373620 /nfs/dbraw/zinc/37/36/20/570373620.db2.gz VFJGVYFQKYSNQR-KRWDZBQOSA-N 0 0 398.510 4.823 50 0 GJAARN CCCCn1nc(C)c(/C=C/C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1Cl ZINC000023878721 570374466 /nfs/dbraw/zinc/37/44/66/570374466.db2.gz ARVPISYXZCHIHH-YPUOHESYSA-N 0 0 381.854 4.814 50 0 GJAARN O=c1[nH]c(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 ZINC000023883112 570374725 /nfs/dbraw/zinc/37/47/25/570374725.db2.gz OLITVBRYUFPJKJ-MRXNPFEDSA-N 0 0 396.903 4.523 50 0 GJAARN COc1ccc(CSc2nnc([C@H](C)Oc3ccccc3F)o2)cc1F ZINC000004937977 570374724 /nfs/dbraw/zinc/37/47/24/570374724.db2.gz UQOABZOIDVRSHY-NSHDSACASA-N 0 0 378.400 4.789 50 0 GJAARN CCc1ccc(CNC(=O)c2cc3c(s2)c2ccccc2n(CC)c3=O)cc1 ZINC000004939190 570375341 /nfs/dbraw/zinc/37/53/41/570375341.db2.gz JBZSWTWSWGTKKA-UHFFFAOYSA-N 0 0 390.508 4.729 50 0 GJAARN Cc1nn(C)c2ncc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc12 ZINC000024032636 570377297 /nfs/dbraw/zinc/37/72/97/570377297.db2.gz CRWDIKCXBSROTA-FQEVSTJZSA-N 0 0 388.496 4.749 50 0 GJAARN C[C@@H]1CN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000004942350 570377563 /nfs/dbraw/zinc/37/75/63/570377563.db2.gz CQYLDUSZLQSUFQ-ZIAGYGMSSA-N 0 0 398.304 4.673 50 0 GJAARN O=C(COc1ccc(F)cc1F)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000024237761 570381159 /nfs/dbraw/zinc/38/11/59/570381159.db2.gz FYJHUKOYVAGVNC-LJQANCHMSA-N 0 0 381.378 4.511 50 0 GJAARN CCN(C(C)=O)c1nc(CSc2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000072205562 570381907 /nfs/dbraw/zinc/38/19/07/570381907.db2.gz XMLHDLPVAPEZRA-UHFFFAOYSA-N 0 0 395.859 4.875 50 0 GJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(Cl)c1 ZINC000012972483 570381950 /nfs/dbraw/zinc/38/19/50/570381950.db2.gz UDINDBFNTUUKNA-UHFFFAOYSA-N 0 0 380.879 4.886 50 0 GJAARN O=C(O[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)c1cccc(Cl)c1 ZINC000004960707 570382271 /nfs/dbraw/zinc/38/22/71/570382271.db2.gz 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570386619 /nfs/dbraw/zinc/38/66/19/570386619.db2.gz PNDRNGQBWXQEIQ-UHFFFAOYSA-N 0 0 383.447 4.741 50 0 GJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000004083475 570386749 /nfs/dbraw/zinc/38/67/49/570386749.db2.gz UOGVUQZHAFLJIR-CKQYDNDDSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000010958258 570388539 /nfs/dbraw/zinc/38/85/39/570388539.db2.gz KWMKARQCPDTMGL-UHFFFAOYSA-N 0 0 383.732 4.936 50 0 GJAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000004987412 570389994 /nfs/dbraw/zinc/38/99/94/570389994.db2.gz PKTIOBGIXAJGFU-SCLBCKFNSA-N 0 0 397.475 4.550 50 0 GJAARN O=C(CCSc1nc(-c2ccc(Br)cc2)cs1)N1CCCC1 ZINC000004668938 570391806 /nfs/dbraw/zinc/39/18/06/570391806.db2.gz WRTZCWYJQUCDLM-UHFFFAOYSA-N 0 0 397.363 4.677 50 0 GJAARN COc1cccc2cc(-c3nnc(Nc4cccc(Cl)c4)s3)c(=O)oc21 ZINC000004673365 570392251 /nfs/dbraw/zinc/39/22/51/570392251.db2.gz VMBIIRXIQLEGKR-UHFFFAOYSA-N 0 0 385.832 4.717 50 0 GJAARN COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000004680656 570392554 /nfs/dbraw/zinc/39/25/54/570392554.db2.gz BXAICEVSRVKPAS-RIYZIHGNSA-N 0 0 397.645 4.753 50 0 GJAARN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000024768834 570392685 /nfs/dbraw/zinc/39/26/85/570392685.db2.gz ZLUFMJLTGPXZOM-UHFFFAOYSA-N 0 0 385.411 4.781 50 0 GJAARN COc1ccc(-c2nc(NC(=O)c3ccc(F)cc3F)sc2C)cc1OC ZINC000061237095 570393090 /nfs/dbraw/zinc/39/30/90/570393090.db2.gz RWDVVLGPYPDJKX-UHFFFAOYSA-N 0 0 390.411 4.666 50 0 GJAARN Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)nc(N)c2c1C ZINC000024834021 570395079 /nfs/dbraw/zinc/39/50/79/570395079.db2.gz ANJSPSXRDNEGAX-JTQLQIEISA-N 0 0 392.937 4.663 50 0 GJAARN Cc1cc(Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)c(C)s2)n(C)n1 ZINC000024835511 570395380 /nfs/dbraw/zinc/39/53/80/570395380.db2.gz FNELPCCETHIBCT-UHFFFAOYSA-N 0 0 383.521 4.889 50 0 GJAARN Cc1sc2nc(CN(C)Cc3ccc(Cl)cc3Cl)nc(N)c2c1C ZINC000024839983 570395688 /nfs/dbraw/zinc/39/56/88/570395688.db2.gz 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ZINC000033140108 570402282 /nfs/dbraw/zinc/40/22/82/570402282.db2.gz PAYGTMCWJVZQKG-UHFFFAOYSA-N 0 0 387.439 4.575 50 0 GJAARN CCOc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2)cc1 ZINC000033168922 570402586 /nfs/dbraw/zinc/40/25/86/570402586.db2.gz XOEKUFKZYAQXHF-UHFFFAOYSA-N 0 0 397.525 4.757 50 0 GJAARN S=c1n(CN2CCC[C@H]2c2ccccc2)nc(N2CCCCC2)n1C1CC1 ZINC000024992162 570402689 /nfs/dbraw/zinc/40/26/89/570402689.db2.gz ICPAZLWWJODMNH-IBGZPJMESA-N 0 0 383.565 4.534 50 0 GJAARN Oc1ccccc1-c1nc2cnccn2c1Nc1ccc(Br)cc1 ZINC000035622349 570404088 /nfs/dbraw/zinc/40/40/88/570404088.db2.gz MZPKUWGKHLDWFJ-UHFFFAOYSA-N 0 0 381.233 4.608 50 0 GJAARN COc1ccc(NC2(c3nnnn3-c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000035622723 570404131 /nfs/dbraw/zinc/40/41/31/570404131.db2.gz RNYXUSMXXNNESO-UHFFFAOYSA-N 0 0 383.883 4.596 50 0 GJAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006399145 570404572 /nfs/dbraw/zinc/40/45/72/570404572.db2.gz SVPLOUSZMYLMFR-QGZVFWFLSA-N 0 0 394.902 4.609 50 0 GJAARN COC(=O)CCc1ccc(CCCCCc2ccc(CCC(=O)OC)cc2)cc1 ZINC000004788035 570406009 /nfs/dbraw/zinc/40/60/09/570406009.db2.gz CCAYQONOMLDUBC-UHFFFAOYSA-N 0 0 396.527 4.853 50 0 GJAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)c(OCC)c1 ZINC000033726095 570406306 /nfs/dbraw/zinc/40/63/06/570406306.db2.gz XVVLKUUBBYZRMJ-UNOMPAQXSA-N 0 0 398.484 4.590 50 0 GJAARN Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000004808482 570406704 /nfs/dbraw/zinc/40/67/04/570406704.db2.gz KLXPNNORYRHQMD-UHFFFAOYSA-N 0 0 388.467 4.882 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1 ZINC000004809699 570407013 /nfs/dbraw/zinc/40/70/13/570407013.db2.gz DMVJVUQIRIHLEX-UHFFFAOYSA-N 0 0 387.439 4.579 50 0 GJAARN COc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000004811190 570407604 /nfs/dbraw/zinc/40/76/04/570407604.db2.gz SYMXLGOLNQSVFZ-RTBURBONSA-N 0 0 384.863 4.508 50 0 GJAARN Cc1ccsc1-c1nc(CSCC(=O)NC2CCC(C)CC2)c(C)o1 ZINC000005057728 570407782 /nfs/dbraw/zinc/40/77/82/570407782.db2.gz 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570413568 /nfs/dbraw/zinc/41/35/68/570413568.db2.gz WEUUIYCKKJABRC-UHFFFAOYSA-N 0 0 380.498 4.547 50 0 GJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000025439956 570413632 /nfs/dbraw/zinc/41/36/32/570413632.db2.gz FVGATQGKEYGVTF-QFIPXVFZSA-N 0 0 390.531 4.755 50 0 GJAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 ZINC000035684391 570414047 /nfs/dbraw/zinc/41/40/47/570414047.db2.gz BLXOWIYZTCOQJQ-QGZVFWFLSA-N 0 0 394.862 4.992 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(CC(C)C)on1 ZINC000004881279 570415079 /nfs/dbraw/zinc/41/50/79/570415079.db2.gz VDXKQFOFCYNTMS-UHFFFAOYSA-N 0 0 386.883 4.640 50 0 GJAARN CC(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1 ZINC000013005674 570415211 /nfs/dbraw/zinc/41/52/11/570415211.db2.gz SGQBNXLXDFJLTA-UHFFFAOYSA-N 0 0 378.291 4.691 50 0 GJAARN O=C(CCc1cccs1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000025549684 570415604 /nfs/dbraw/zinc/41/56/04/570415604.db2.gz HNBVUGKRTGTORL-UHFFFAOYSA-N 0 0 389.318 4.509 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000005099301 570416193 /nfs/dbraw/zinc/41/61/93/570416193.db2.gz HUNKXMNTKHRACI-UHFFFAOYSA-N 0 0 378.516 4.531 50 0 GJAARN O=c1c(Cl)c(N2CCc3ccccc32)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000004909692 570416977 /nfs/dbraw/zinc/41/69/77/570416977.db2.gz MXIPYLDKEJSDQS-UHFFFAOYSA-N 0 0 381.907 4.516 50 0 GJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000013011400 570417522 /nfs/dbraw/zinc/41/75/22/570417522.db2.gz GMHWDXXOZNBZNS-UHFFFAOYSA-N 0 0 389.451 4.657 50 0 GJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2Cl)CC(=O)N1 ZINC000004913264 570417602 /nfs/dbraw/zinc/41/76/02/570417602.db2.gz VVZPCTNPSNKGMV-KRWDZBQOSA-N 0 0 375.896 4.874 50 0 GJAARN Cc1cccc(O[C@@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn32)c1 ZINC000025740169 570418885 /nfs/dbraw/zinc/41/88/85/570418885.db2.gz GVMGEQMVRQPJQV-HNNXBMFYSA-N 0 0 377.469 4.777 50 0 GJAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000025766551 570419112 /nfs/dbraw/zinc/41/91/12/570419112.db2.gz GSWIHQQYLGPJQT-SFHVURJKSA-N 0 0 385.554 4.711 50 0 GJAARN C[NH+](C)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(F)cc2s1 ZINC000005115272 570419987 /nfs/dbraw/zinc/41/99/87/570419987.db2.gz AAJCYAFVUBZUJS-UHFFFAOYSA-N 0 0 393.487 4.797 50 0 GJAARN CC(C)C[C@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)n1cccc1 ZINC000253414422 570420335 /nfs/dbraw/zinc/42/03/35/570420335.db2.gz XLMAIINVJAWPFD-MRXNPFEDSA-N 0 0 383.473 4.566 50 0 GJAARN Cc1sc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1C ZINC000004985804 570421518 /nfs/dbraw/zinc/42/15/18/570421518.db2.gz LQZQJBZXYZUVPI-AWEZNQCLSA-N 0 0 394.496 4.537 50 0 GJAARN Cc1c(NC(=O)c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000026044823 570421699 /nfs/dbraw/zinc/42/16/99/570421699.db2.gz VBDNEULQLPJHAJ-UHFFFAOYSA-N 0 0 376.481 4.507 50 0 GJAARN Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1F ZINC000005126886 570421801 /nfs/dbraw/zinc/42/18/01/570421801.db2.gz GBXKZGDHALTGEF-UHFFFAOYSA-N 0 0 378.432 4.640 50 0 GJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000027350517 570422209 /nfs/dbraw/zinc/42/22/09/570422209.db2.gz UDWLHEXWQQMQSR-APWZRJJASA-N 0 0 392.421 4.649 50 0 GJAARN CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccc(Br)cc1 ZINC000001769944 570422545 /nfs/dbraw/zinc/42/25/45/570422545.db2.gz WPIYAVAUNGBYJT-OAHLLOKOSA-N 0 0 379.231 4.978 50 0 GJAARN CCCCOC(=O)c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000001774173 570422774 /nfs/dbraw/zinc/42/27/74/570422774.db2.gz ZHRVICPFRYQDSR-UHFFFAOYSA-N 0 0 390.863 4.898 50 0 GJAARN COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CCCC2 ZINC000001773762 570422854 /nfs/dbraw/zinc/42/28/54/570422854.db2.gz VAKKOEKIHPKVBA-UHFFFAOYSA-N 0 0 387.501 4.520 50 0 GJAARN CCCN(CCC)C(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12 ZINC000005146912 570427088 /nfs/dbraw/zinc/42/70/88/570427088.db2.gz QWWTXGAGKWVCAL-UHFFFAOYSA-N 0 0 385.533 4.653 50 0 GJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000026603770 570427153 /nfs/dbraw/zinc/42/71/53/570427153.db2.gz BLFZBSMKTQXZKF-MRXNPFEDSA-N 0 0 390.270 4.738 50 0 GJAARN CC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000005147323 570427403 /nfs/dbraw/zinc/42/74/03/570427403.db2.gz CSRYHHAXKAIRSG-UHFFFAOYSA-N 0 0 393.443 4.586 50 0 GJAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2ccccc2C)c1N ZINC000032952247 570429368 /nfs/dbraw/zinc/42/93/68/570429368.db2.gz YYVAIWSCBKVJOQ-UHFFFAOYSA-N 0 0 385.514 4.810 50 0 GJAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCc1ccccc1 ZINC000032952559 570430036 /nfs/dbraw/zinc/43/00/36/570430036.db2.gz IOQMILKACLMUKJ-UHFFFAOYSA-N 0 0 397.550 4.807 50 0 GJAARN COc1ccc(C2=C(Oc3ccc(F)cc3)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000247951194 570431276 /nfs/dbraw/zinc/43/12/76/570431276.db2.gz LUHKAFLEPLFVGB-NDEPHWFRSA-N 0 0 396.439 4.869 50 0 GJAARN CCOc1ccccc1CNC(=O)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953133 570431744 /nfs/dbraw/zinc/43/17/44/570431744.db2.gz FRBIOKANAXCCHV-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN O=C(Nc1ccc(OC[C@H](O)c2ccccc2F)cc1)c1ccccc1Cl ZINC000027212295 570432407 /nfs/dbraw/zinc/43/24/07/570432407.db2.gz NCPFPFMMAFHMGS-FQEVSTJZSA-N 0 0 385.822 4.844 50 0 GJAARN COc1ccc(NC(=O)c2c3cc(C)ccc3nnc2-c2ccccc2)cc1OC ZINC000032953292 570432785 /nfs/dbraw/zinc/43/27/85/570432785.db2.gz YZCYYMQTUKHYNN-UHFFFAOYSA-N 0 0 399.450 4.875 50 0 GJAARN CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 ZINC000005249618 570432768 /nfs/dbraw/zinc/43/27/68/570432768.db2.gz JHAVFEXJDCSZAO-HNNXBMFYSA-N 0 0 388.471 4.728 50 0 GJAARN Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc2n1 ZINC000011770942 570434059 /nfs/dbraw/zinc/43/40/59/570434059.db2.gz FVFNQKRPDUBRIO-UHFFFAOYSA-N 0 0 394.431 4.515 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000005354617 570434834 /nfs/dbraw/zinc/43/48/34/570434834.db2.gz BMBTZBNBINSPFU-LLVKDONJSA-N 0 0 380.271 4.770 50 0 GJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cn(C)nc3C(C)(C)C)cc2)n1 ZINC000092813515 570438522 /nfs/dbraw/zinc/43/85/22/570438522.db2.gz JURDUCSCFJGKPB-UHFFFAOYSA-N 0 0 395.532 4.528 50 0 GJAARN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H]1c1ccsc1 ZINC000248086009 570439148 /nfs/dbraw/zinc/43/91/48/570439148.db2.gz DOHSKNGACPBCAY-PBHICJAKSA-N 0 0 385.558 4.542 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)cc3)on1)CCC2 ZINC000027664270 570439628 /nfs/dbraw/zinc/43/96/28/570439628.db2.gz PQIYHFBABBUXSD-UHFFFAOYSA-N 0 0 396.468 4.629 50 0 GJAARN COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1C ZINC000027744079 570441081 /nfs/dbraw/zinc/44/10/81/570441081.db2.gz UQPKGBFDMPMKHD-HNNXBMFYSA-N 0 0 395.459 4.583 50 0 GJAARN COc1ccc(OCC(=O)N(Cc2cccc3ccccc32)c2ccccn2)cc1 ZINC000027744945 570441139 /nfs/dbraw/zinc/44/11/39/570441139.db2.gz CMCFLMQGRJCFBE-UHFFFAOYSA-N 0 0 398.462 4.856 50 0 GJAARN Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2cc1C ZINC000027742811 570441285 /nfs/dbraw/zinc/44/12/85/570441285.db2.gz XQRXNEFYKDYRMZ-UHFFFAOYSA-N 0 0 393.464 4.907 50 0 GJAARN CCSc1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 ZINC000027743705 570441290 /nfs/dbraw/zinc/44/12/90/570441290.db2.gz UHNPHIXXKOGSPJ-UHFFFAOYSA-N 0 0 388.290 4.757 50 0 GJAARN CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@@](C)(C3SCCS3)C[C@H]12 ZINC000252427792 570442373 /nfs/dbraw/zinc/44/23/73/570442373.db2.gz GEFRKHXTFACOQE-CLIDLRMUSA-N 0 0 398.634 4.718 50 0 GJAARN CSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC000027795225 570443491 /nfs/dbraw/zinc/44/34/91/570443491.db2.gz HBBJXGXGECANHX-UHFFFAOYSA-N 0 0 378.482 4.728 50 0 GJAARN O=C(/C=C\c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012375791 570444574 /nfs/dbraw/zinc/44/45/74/570444574.db2.gz QIRBBJRUUTUFMY-MSUUIHNZSA-N 0 0 382.507 4.634 50 0 GJAARN CCCCOc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 ZINC000044420240 570445258 /nfs/dbraw/zinc/44/52/58/570445258.db2.gz CNYBDLGVRMXREX-INIZCTEOSA-N 0 0 395.434 4.575 50 0 GJAARN Cc1cccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1C ZINC000011913984 570446816 /nfs/dbraw/zinc/44/68/16/570446816.db2.gz RDDWQHVHBGKBIL-MRXNPFEDSA-N 0 0 395.459 4.547 50 0 GJAARN 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GZVGLMOXHOWELK-UHFFFAOYSA-N 0 0 375.856 4.941 50 0 GJAARN O=S1(=O)c2cccc3cccc(c23)N1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000028187342 570451746 /nfs/dbraw/zinc/45/17/46/570451746.db2.gz HOUUCOWGUPTSHW-UHFFFAOYSA-N 0 0 396.855 4.857 50 0 GJAARN COc1cccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)c1 ZINC000032958133 570453216 /nfs/dbraw/zinc/45/32/16/570453216.db2.gz JXZKVBZHQGAMBE-UHFFFAOYSA-N 0 0 390.464 4.989 50 0 GJAARN Cc1ccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 ZINC000028290834 570456021 /nfs/dbraw/zinc/45/60/21/570456021.db2.gz AMAKPTXNEDUAOM-UHFFFAOYSA-N 0 0 384.838 4.795 50 0 GJAARN O=C(c1ccccc1Br)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292531 570456515 /nfs/dbraw/zinc/45/65/15/570456515.db2.gz WTGGXABFSBCZBP-UHFFFAOYSA-N 0 0 385.236 4.830 50 0 GJAARN CC(C)c1ccc(OCC(=O)N(Cc2ccccc2F)c2ccccn2)cc1 ZINC000028293599 570457161 /nfs/dbraw/zinc/45/71/61/570457161.db2.gz NTDZFYAUPMBCFU-UHFFFAOYSA-N 0 0 378.447 4.956 50 0 GJAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1 ZINC000028404784 570459057 /nfs/dbraw/zinc/45/90/57/570459057.db2.gz QDVNGXIBJCUKDJ-MRXNPFEDSA-N 0 0 383.517 4.831 50 0 GJAARN CN1N=C2/C(=C/c3ccccc3Cl)CN(C)C[C@H]2[C@H]1c1ccccc1Cl ZINC000108210006 570459678 /nfs/dbraw/zinc/45/96/78/570459678.db2.gz HXYNGQNRDBZUMF-PASBJYMKSA-N 0 0 386.326 4.981 50 0 GJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OCCOc1ccccc1 ZINC000032958341 570460530 /nfs/dbraw/zinc/46/05/30/570460530.db2.gz XRNJRXCYSPAXMU-QHCPKHFHSA-N 0 0 387.479 4.952 50 0 GJAARN Cn1c(=O)c(Nc2cccc(Cl)c2Cl)nnc1SCc1cccs1 ZINC000028536930 570461119 /nfs/dbraw/zinc/46/11/19/570461119.db2.gz YSJPQPMIWLPTSO-UHFFFAOYSA-N 0 0 399.328 4.580 50 0 GJAARN Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1 ZINC000005905411 570461697 /nfs/dbraw/zinc/46/16/97/570461697.db2.gz MZXLNMGUJGGFJN-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN CC(C)(C)c1ccc(Cn2c(C(=O)NCc3ccccn3)cc3occc32)cc1 ZINC000035836481 570461948 /nfs/dbraw/zinc/46/19/48/570461948.db2.gz MQPVMNMFWYWWFE-UHFFFAOYSA-N 0 0 387.483 4.905 50 0 GJAARN CC(=O)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000006514882 570463893 /nfs/dbraw/zinc/46/38/93/570463893.db2.gz QPGBFEKXLOXSID-UHFFFAOYSA-N 0 0 399.874 4.536 50 0 GJAARN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000064444996 570463997 /nfs/dbraw/zinc/46/39/97/570463997.db2.gz KQESUKAKOQCHIE-UHFFFAOYSA-N 0 0 381.545 4.988 50 0 GJAARN COc1cccc(Cn2c(C(=O)NCCc3ccccc3)cc3ccsc32)c1 ZINC000035843884 570464447 /nfs/dbraw/zinc/46/44/47/570464447.db2.gz FKFFHDKQDIHFTN-UHFFFAOYSA-N 0 0 390.508 4.732 50 0 biogenic GJAARN O=C(c1cnc2ccccc2c1Nc1ccc(Cl)cc1)N1CCSCC1 ZINC000064471732 570467172 /nfs/dbraw/zinc/46/71/72/570467172.db2.gz SBPPKUSJWMQSML-UHFFFAOYSA-N 0 0 383.904 4.821 50 0 GJAARN O=C(c1sc2ccccc2c1Cl)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029115137 570468783 /nfs/dbraw/zinc/46/87/83/570468783.db2.gz IOHVMHXCZKAVCP-HNNXBMFYSA-N 0 0 375.852 4.908 50 0 GJAARN CCN(C(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1)c1ccc(F)cc1 ZINC000006536763 570470141 /nfs/dbraw/zinc/47/01/41/570470141.db2.gz CPIYBJUQBJEOGB-UHFFFAOYSA-N 0 0 385.464 4.638 50 0 GJAARN C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000029239161 570470866 /nfs/dbraw/zinc/47/08/66/570470866.db2.gz ZPMKWNLEJJRUQO-LLVKDONJSA-N 0 0 386.211 4.888 50 0 GJAARN O=c1cc(Cn2c3ccccc3nc2C(F)(F)F)c2cc3c(cc2o1)CCC3 ZINC000029300079 570471810 /nfs/dbraw/zinc/47/18/10/570471810.db2.gz OVMVKTJXXMXVTR-UHFFFAOYSA-N 0 0 384.357 4.699 50 0 GJAARN c1ccc(CCc2nc3sc4c(c3c(N3CCOCC3)n2)CCCCC4)cc1 ZINC000035892960 570474189 /nfs/dbraw/zinc/47/41/89/570474189.db2.gz HWGUOHHLDMMSLF-UHFFFAOYSA-N 0 0 393.556 4.582 50 0 GJAARN Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3F)c2C(F)(F)F)cc1 ZINC000029562257 570476065 /nfs/dbraw/zinc/47/60/65/570476065.db2.gz CCZHVMFPFYISDB-UHFFFAOYSA-N 0 0 381.304 4.730 50 0 GJAARN COc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2cccs2)cc1 ZINC000002364979 570476231 /nfs/dbraw/zinc/47/62/31/570476231.db2.gz KQYFSGCEJUITJO-UHFFFAOYSA-N 0 0 390.464 4.528 50 0 GJAARN COc1ccc([C@H](NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)C(C)C)cc1 ZINC000011052909 570477618 /nfs/dbraw/zinc/47/76/18/570477618.db2.gz MKBJMXXNSPGRBH-VOIUYBSRSA-N 0 0 395.499 4.586 50 0 GJAARN CC(C)CC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1 ZINC000035925232 570479732 /nfs/dbraw/zinc/47/97/32/570479732.db2.gz ROPXBMLWOBBMOB-QHCPKHFHSA-N 0 0 394.540 4.939 50 0 GJAARN Cc1csc(C2(NC(=O)Nc3nnc(C4CCCCC4)s3)CCC2)n1 ZINC000072288937 570479972 /nfs/dbraw/zinc/47/99/72/570479972.db2.gz FWHJMAMZLPWZAW-UHFFFAOYSA-N 0 0 377.539 4.552 50 0 GJAARN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1Cl ZINC000006476829 570481198 /nfs/dbraw/zinc/48/11/98/570481198.db2.gz QCEWSZQRNUIOBF-UHFFFAOYSA-N 0 0 379.872 4.942 50 0 GJAARN Cc1ccc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)cc1Cl ZINC000252676599 570481215 /nfs/dbraw/zinc/48/12/15/570481215.db2.gz XNWDSBUGOCKABZ-UHFFFAOYSA-N 0 0 392.867 4.679 50 0 GJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)nnn2CC ZINC000006578587 570481360 /nfs/dbraw/zinc/48/13/60/570481360.db2.gz LTOWJXQHDNFZSR-UHFFFAOYSA-N 0 0 392.381 4.511 50 0 GJAARN COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)cc1 ZINC000064568404 570483677 /nfs/dbraw/zinc/48/36/77/570483677.db2.gz JHSQAMNTQYWZFD-UHFFFAOYSA-N 0 0 375.472 4.859 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2sc3ccccc3c2Cl)[C@@H]1C ZINC000006586398 570484081 /nfs/dbraw/zinc/48/40/81/570484081.db2.gz BAUGPNHZCJAPMM-YRGRVCCFSA-N 0 0 379.909 4.652 50 0 GJAARN O=C(N[C@@H](OCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000000825892 570485486 /nfs/dbraw/zinc/48/54/86/570485486.db2.gz JVMFFBBKEIOLTK-HNNXBMFYSA-N 0 0 388.678 4.826 50 0 GJAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3)n2)c1 ZINC000064579579 570487912 /nfs/dbraw/zinc/48/79/12/570487912.db2.gz AMTDHAVDTWFOLU-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000030316742 570487970 /nfs/dbraw/zinc/48/79/70/570487970.db2.gz GKEFUWFBFNBRPN-LLVKDONJSA-N 0 0 375.255 4.668 50 0 GJAARN CCOC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc2c1CCCCC2 ZINC000006595171 570489438 /nfs/dbraw/zinc/48/94/38/570489438.db2.gz WESQHUPLAVTOHY-CYBMUJFWSA-N 0 0 380.579 4.622 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1C ZINC000006715994 570489723 /nfs/dbraw/zinc/48/97/23/570489723.db2.gz QSIWOWFDSVDCNG-UHFFFAOYSA-N 0 0 387.439 4.833 50 0 GJAARN COC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C4CCCCC4)nc3c2)cc1 ZINC000006727904 570490754 /nfs/dbraw/zinc/49/07/54/570490754.db2.gz GBDBUJURQCFXHU-UHFFFAOYSA-N 0 0 377.444 4.650 50 0 GJAARN COc1ccc(CNc2nc3ccccc3c3nc(-c4ccccc4)nn32)cc1 ZINC000006805397 570494418 /nfs/dbraw/zinc/49/44/18/570494418.db2.gz QWHWLRPVDLNLQT-UHFFFAOYSA-N 0 0 381.439 4.565 50 0 GJAARN CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000006826538 570496147 /nfs/dbraw/zinc/49/61/47/570496147.db2.gz NVTZNCSNQPWOIO-UHFFFAOYSA-N 0 0 382.485 4.802 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)cc1 ZINC000006858595 570497066 /nfs/dbraw/zinc/49/70/66/570497066.db2.gz LEUBKGVXBBQUGB-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1ccccc1F ZINC000005184510 570497349 /nfs/dbraw/zinc/49/73/49/570497349.db2.gz GPPWAHOMMNUZPN-UHFFFAOYSA-N 0 0 381.476 4.621 50 0 GJAARN COc1cccc(CNC(=O)Nc2c(-c3ccc(C)cc3)nc3ccccn32)c1 ZINC000064611163 570497897 /nfs/dbraw/zinc/49/78/97/570497897.db2.gz UVLCRBNJZZTMHH-UHFFFAOYSA-N 0 0 386.455 4.640 50 0 GJAARN Cc1cccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn32)c1 ZINC000005185149 570497845 /nfs/dbraw/zinc/49/78/45/570497845.db2.gz GWBLGZQLHXDVNO-UHFFFAOYSA-N 0 0 395.253 4.745 50 0 GJAARN Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)cc1 ZINC000005193604 570499767 /nfs/dbraw/zinc/49/97/67/570499767.db2.gz DHCZPOCKUNBTKZ-FQEVSTJZSA-N 0 0 379.529 4.550 50 0 GJAARN Cc1noc(-c2ccccc2Cl)c1C(=O)NCCc1cccc(Cl)c1 ZINC000022671272 570500619 /nfs/dbraw/zinc/50/06/19/570500619.db2.gz MXRNHXCJIQNJET-UHFFFAOYSA-N 0 0 375.255 4.929 50 0 GJAARN COc1ccc(CSc2nnc(C)n2CCc2cccs2)c(Cl)c1 ZINC000072300663 570504468 /nfs/dbraw/zinc/50/44/68/570504468.db2.gz MTZIGTSGVGYULL-UHFFFAOYSA-N 0 0 379.938 4.845 50 0 GJAARN COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccc(C)cc3c2=O)cc1 ZINC000002691856 570504652 /nfs/dbraw/zinc/50/46/52/570504652.db2.gz DTQYWVJGRDXYJP-UHFFFAOYSA-N 0 0 397.474 4.906 50 0 GJAARN CCCCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1 ZINC000002694770 570504950 /nfs/dbraw/zinc/50/49/50/570504950.db2.gz INYFDBLBSDIDDZ-UHFFFAOYSA-N 0 0 393.512 4.992 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1F)N1CCC(c2nc3ccccc3o2)CC1 ZINC000043233833 570505311 /nfs/dbraw/zinc/50/53/11/570505311.db2.gz WOBSWOMLQKYEPS-UHFFFAOYSA-N 0 0 375.350 4.657 50 0 GJAARN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccc(Br)s1 ZINC000002723742 570509308 /nfs/dbraw/zinc/50/93/08/570509308.db2.gz JEGJEUOFOOGTQX-UHFFFAOYSA-N 0 0 375.219 4.651 50 0 GJAARN Cc1ncc(C(=O)Nc2ccc(Br)cc2Cl)n1-c1ccccc1 ZINC000078899736 570509542 /nfs/dbraw/zinc/50/95/42/570509542.db2.gz DBAUIGPKLDMOOO-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN COc1ccc(CN2CCCCC[C@@H]2c2ccncc2)c(Br)c1O ZINC000097376995 570510139 /nfs/dbraw/zinc/51/01/39/570510139.db2.gz XTGPINODCFYZCD-MRXNPFEDSA-N 0 0 391.309 4.676 50 0 GJAARN Cc1nnc(NC(=O)CSc2c3ccccc3[nH]c2-c2ccccc2)s1 ZINC000002718349 570510183 /nfs/dbraw/zinc/51/01/83/570510183.db2.gz WFPRVAHYIJLUIR-UHFFFAOYSA-N 0 0 380.498 4.726 50 0 GJAARN CCOc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(C)=O ZINC000079047319 570510527 /nfs/dbraw/zinc/51/05/27/570510527.db2.gz ILLZUNOBGKKIGB-GOSISDBHSA-N 0 0 387.277 4.545 50 0 GJAARN COc1ccc(CCC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 ZINC000002764158 570512785 /nfs/dbraw/zinc/51/27/85/570512785.db2.gz DNJQNXKNPCWURZ-UHFFFAOYSA-N 0 0 397.906 4.782 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1)CCC2 ZINC000002745304 570513188 /nfs/dbraw/zinc/51/31/88/570513188.db2.gz GNQOEKKYIFWHAW-UHFFFAOYSA-N 0 0 396.468 4.629 50 0 GJAARN CCOc1ccccc1CNC(=O)c1ccc2cnn(Cc3ccc(C)cc3)c2c1 ZINC000064664880 570513928 /nfs/dbraw/zinc/51/39/28/570513928.db2.gz CYSCACHCTWDXTL-UHFFFAOYSA-N 0 0 399.494 4.722 50 0 GJAARN Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)cc1 ZINC000064676246 570516584 /nfs/dbraw/zinc/51/65/84/570516584.db2.gz QFXHGLQBPDOGDT-UHFFFAOYSA-N 0 0 389.524 4.847 50 0 GJAARN Fc1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c(F)c1 ZINC000002806410 570518219 /nfs/dbraw/zinc/51/82/19/570518219.db2.gz AJESRDBFDYLCEC-UHFFFAOYSA-N 0 0 388.377 4.802 50 0 GJAARN Cc1cccc(OCc2nc(CN(C)C(=O)Cc3ccccc3)cs2)c1C ZINC000036032046 570518235 /nfs/dbraw/zinc/51/82/35/570518235.db2.gz GIDOEENOBYSEBR-UHFFFAOYSA-N 0 0 380.513 4.540 50 0 GJAARN O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cc(-c2ccccc2)on1 ZINC000002795497 570518487 /nfs/dbraw/zinc/51/84/87/570518487.db2.gz VZGKLDQGHNIEBO-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1OCC ZINC000006652274 570519090 /nfs/dbraw/zinc/51/90/90/570519090.db2.gz PVWZCTUUWSYNMD-NSHDSACASA-N 0 0 383.275 4.677 50 0 GJAARN COc1ccc2c(C)cc(SCC(=O)c3ccc(OC)c(OC)c3)nc2c1 ZINC000002889048 570520253 /nfs/dbraw/zinc/52/02/53/570520253.db2.gz MGTTVVICLBCCIU-UHFFFAOYSA-N 0 0 383.469 4.544 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(Cl)cc1 ZINC000033114925 570520480 /nfs/dbraw/zinc/52/04/80/570520480.db2.gz DJJLWFRRUNHWQH-IBGZPJMESA-N 0 0 389.842 4.909 50 0 GJAARN COC(=O)c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002865062 570520611 /nfs/dbraw/zinc/52/06/11/570520611.db2.gz ZEVCEBORZVXYAW-UHFFFAOYSA-N 0 0 383.227 4.545 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(Cl)cc1 ZINC000033114926 570520673 /nfs/dbraw/zinc/52/06/73/570520673.db2.gz DJJLWFRRUNHWQH-LJQANCHMSA-N 0 0 389.842 4.909 50 0 GJAARN CC(C)CCNC(=O)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000033257950 570521724 /nfs/dbraw/zinc/52/17/24/570521724.db2.gz WPTUOLVVUHXYCV-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN Cc1cc([C@@H]2CCCN2C(=O)c2c(C)onc2-c2c(F)cccc2Cl)on1 ZINC000033269759 570522153 /nfs/dbraw/zinc/52/21/53/570522153.db2.gz GJYDRYNRDTUYEB-AWEZNQCLSA-N 0 0 389.814 4.716 50 0 GJAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3c(C)cccc3Cl)cc2)c1C ZINC000072306404 570523941 /nfs/dbraw/zinc/52/39/41/570523941.db2.gz 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ZINC000032960242 570527231 /nfs/dbraw/zinc/52/72/31/570527231.db2.gz RDGKOJOYDDOBAV-SFHVURJKSA-N 0 0 392.503 4.620 50 0 GJAARN O=C(Nc1cccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1)C1CC1 ZINC000008310880 570527404 /nfs/dbraw/zinc/52/74/04/570527404.db2.gz RDIGPINIEKFBGC-UHFFFAOYSA-N 0 0 381.435 4.809 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nonc1-c1ccc(F)cc1 ZINC000006670206 570528376 /nfs/dbraw/zinc/52/83/76/570528376.db2.gz NAIYDRZVKDXCLE-SECBINFHSA-N 0 0 396.205 4.589 50 0 GJAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000005256216 570531166 /nfs/dbraw/zinc/53/11/66/570531166.db2.gz GEMSEHSMUZPRKN-QFIPXVFZSA-N 0 0 391.471 4.533 50 0 GJAARN CC(C)(C)NC(=O)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000006690220 570533372 /nfs/dbraw/zinc/53/33/72/570533372.db2.gz LOCFEVABBFMCMT-UHFFFAOYSA-N 0 0 395.334 4.711 50 0 GJAARN Cc1nc2ccc(NC(=O)Cn3c4ccccc4nc3C(F)(F)F)cc2s1 ZINC000005267513 570533733 /nfs/dbraw/zinc/53/37/33/570533733.db2.gz BSWIRTPIMJANTK-UHFFFAOYSA-N 0 0 390.390 4.612 50 0 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/nfs/dbraw/zinc/56/66/09/570566609.db2.gz UWVWNHIRUXPAJX-UHFFFAOYSA-N 0 0 399.903 4.992 50 0 GJAARN O=C(Nc1nc2c(cccc2Br)s1)c1ccc2ncsc2c1 ZINC000004325846 570566858 /nfs/dbraw/zinc/56/68/58/570566858.db2.gz AZSGHBVPAMDJNN-UHFFFAOYSA-N 0 0 390.287 4.921 50 0 GJAARN Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCc3ccccc32)c1C(F)(F)F ZINC000046179682 570569680 /nfs/dbraw/zinc/56/96/80/570569680.db2.gz QRKQUTUBOFRHKK-QGZVFWFLSA-N 0 0 385.389 4.617 50 0 GJAARN CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000006752627 570570120 /nfs/dbraw/zinc/57/01/20/570570120.db2.gz SBCIFQYVNBEMJV-UHFFFAOYSA-N 0 0 377.532 4.697 50 0 GJAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)CC(C)C)C1 ZINC000006753654 570570760 /nfs/dbraw/zinc/57/07/60/570570760.db2.gz GPNUEOMJBGOVQG-LJQANCHMSA-N 0 0 382.479 4.702 50 0 GJAARN COc1ccc(-c2nc(NC(=O)COc3ccc(C)cc3C)sc2C)cc1 ZINC000032981871 570571128 /nfs/dbraw/zinc/57/11/28/570571128.db2.gz NDPKXXZBHOZHLC-UHFFFAOYSA-N 0 0 382.485 4.761 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 ZINC000006752704 570571480 /nfs/dbraw/zinc/57/14/80/570571480.db2.gz HDXRFGMFRXJWHP-UHFFFAOYSA-N 0 0 389.503 4.829 50 0 GJAARN COc1ccccc1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000004328249 570573028 /nfs/dbraw/zinc/57/30/28/570573028.db2.gz TXKZOWLABXHHNH-UHFFFAOYSA-N 0 0 391.905 4.745 50 0 GJAARN COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1 ZINC000010772985 570573905 /nfs/dbraw/zinc/57/39/05/570573905.db2.gz XZRZMTXLGQVJTC-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN COc1cc(C(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc(OC)c1OC ZINC000004330950 570575272 /nfs/dbraw/zinc/57/52/72/570575272.db2.gz GDAMVYJSRLFQFQ-UHFFFAOYSA-N 0 0 392.864 4.536 50 0 GJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](OCc2cccnc2)C1 ZINC000011667816 570579319 /nfs/dbraw/zinc/57/93/19/570579319.db2.gz LTCMWJFACHABQC-FQEVSTJZSA-N 0 0 397.906 4.880 50 0 GJAARN Cc1cc(C)n(-c2ccc(-c3noc(-c4ncoc4-c4ccc(C)cc4)n3)cn2)n1 ZINC000225508647 570581562 /nfs/dbraw/zinc/58/15/62/570581562.db2.gz 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CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000002617362 570590658 /nfs/dbraw/zinc/59/06/58/570590658.db2.gz AKMLBCYNZCWGTP-QGZVFWFLSA-N 0 0 387.435 4.740 50 0 GJAARN COc1ccc(CN(C)Cc2nc(-c3ccc(F)cc3F)oc2C)cc1OC ZINC000011879333 570591003 /nfs/dbraw/zinc/59/10/03/570591003.db2.gz XGEBXQKDYNRHEL-UHFFFAOYSA-N 0 0 388.414 4.577 50 0 GJAARN CN(Cc1cc[nH]n1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011935887 570593361 /nfs/dbraw/zinc/59/33/61/570593361.db2.gz JMOZYQMYUPINHF-UHFFFAOYSA-N 0 0 397.482 4.700 50 0 GJAARN O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(Cl)cc(Cl)c1 ZINC000005442340 570594444 /nfs/dbraw/zinc/59/44/44/570594444.db2.gz NDTVTNTWDALXCY-UHFFFAOYSA-N 0 0 391.283 4.576 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000006788699 570594740 /nfs/dbraw/zinc/59/47/40/570594740.db2.gz PHVBECRZKXBQHY-UHFFFAOYSA-N 0 0 398.919 4.837 50 0 GJAARN Cc1noc2nc(C(C)C)cc(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)c12 ZINC000225619781 570595088 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570617604 /nfs/dbraw/zinc/61/76/04/570617604.db2.gz SMRJLNZASAGCKB-UHFFFAOYSA-N 0 0 383.810 4.921 50 0 GJAARN COc1ccc(-c2nc3cc(NC(=O)[C@@H](C)Oc4ccccc4)ccc3o2)cc1 ZINC000033004060 570618286 /nfs/dbraw/zinc/61/82/86/570618286.db2.gz JJOJLOPSOXOPRZ-OAHLLOKOSA-N 0 0 388.423 4.909 50 0 GJAARN Cc1ccccc1NC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000064969105 570619936 /nfs/dbraw/zinc/61/99/36/570619936.db2.gz UXTYYTBYDBIKEW-UHFFFAOYSA-N 0 0 385.467 4.520 50 0 GJAARN Cc1ccc(NC(=O)c2cc(=O)n3c4cc(C)c(C)cc4nc3s2)c(Cl)c1 ZINC000033008995 570620504 /nfs/dbraw/zinc/62/05/04/570620504.db2.gz YJOMJURKCJIPLL-UHFFFAOYSA-N 0 0 397.887 4.740 50 0 GJAARN O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(F)cc1F ZINC000006818761 570621073 /nfs/dbraw/zinc/62/10/73/570621073.db2.gz FLPQQVQOAIQUFO-UHFFFAOYSA-N 0 0 399.466 4.808 50 0 GJAARN COc1cccc2cc(-c3nnc(Nc4ccccc4Cl)s3)c(=O)oc21 ZINC000004592712 570622963 /nfs/dbraw/zinc/62/29/63/570622963.db2.gz PDCOUEBUXVQNTB-UHFFFAOYSA-N 0 0 385.832 4.717 50 0 GJAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 ZINC000064980062 570624499 /nfs/dbraw/zinc/62/44/99/570624499.db2.gz BCEWEZVMBGBFEH-UHFFFAOYSA-N 0 0 375.432 4.662 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344598 570627228 /nfs/dbraw/zinc/62/72/28/570627228.db2.gz SXTNREXCYMOCPV-DEOSSOPVSA-N 0 0 389.543 4.775 50 0 GJAARN CC1(C(=O)N2CCC(c3n[nH]cc3CCc3ccccc3)CC2)CCCCC1 ZINC000012242080 570630610 /nfs/dbraw/zinc/63/06/10/570630610.db2.gz PPCLOIAOQQSLIE-UHFFFAOYSA-N 0 0 379.548 4.871 50 0 GJAARN COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169712316 570631385 /nfs/dbraw/zinc/63/13/85/570631385.db2.gz DKJCJNAFDPVDRB-UGKGYDQZSA-N 0 0 393.393 4.611 50 0 GJAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c1 ZINC000036353219 570634739 /nfs/dbraw/zinc/63/47/39/570634739.db2.gz OIQYTALZBPBMSH-MRXNPFEDSA-N 0 0 383.835 4.667 50 0 GJAARN Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1NC(=O)c1ccco1 ZINC000006839761 570641479 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CCCCN(Cc1ccccc1)C(=O)/C(=C\c1ccccc1)n1ccccc1=O ZINC000004616623 570674091 /nfs/dbraw/zinc/67/40/91/570674091.db2.gz FPYMZFJUWSTNOB-FCDQGJHFSA-N 0 0 386.495 4.675 50 0 GJAARN O=C(CCCSc1ncnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000006881154 570676093 /nfs/dbraw/zinc/67/60/93/570676093.db2.gz ZEUFGOJXRLTRET-UHFFFAOYSA-N 0 0 380.498 4.632 50 0 GJAARN Cc1ccccc1[C@@H]1CCN(C(=O)CSc2nc3ccccc3o2)CCS1 ZINC000219266752 570676185 /nfs/dbraw/zinc/67/61/85/570676185.db2.gz FITKYXZKHJEATA-IBGZPJMESA-N 0 0 398.553 4.935 50 0 GJAARN CCC(=O)Oc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000004340703 570676256 /nfs/dbraw/zinc/67/62/56/570676256.db2.gz AERQKAPLXPIFNT-UHFFFAOYSA-N 0 0 387.229 4.846 50 0 GJAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1 ZINC000012441702 570677056 /nfs/dbraw/zinc/67/70/56/570677056.db2.gz YKOCJJFGTKIXLP-UHFFFAOYSA-N 0 0 390.468 4.565 50 0 GJAARN CCc1ccccc1NC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000006881908 570677738 /nfs/dbraw/zinc/67/77/38/570677738.db2.gz FWJNYBPWBVMFPA-UHFFFAOYSA-N 0 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Cn1c2ccccc2nc1SCc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000012529427 570833086 /nfs/dbraw/zinc/83/30/86/570833086.db2.gz HTIVBJNUDCOOLY-UHFFFAOYSA-N 0 0 395.557 4.721 50 0 GJAARN COc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc(Cl)c1OC ZINC000014228029 570833148 /nfs/dbraw/zinc/83/31/48/570833148.db2.gz BMWOBSSTNNNSES-UHFFFAOYSA-N 0 0 389.835 4.651 50 0 GJAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 ZINC000004689663 570834964 /nfs/dbraw/zinc/83/49/64/570834964.db2.gz MRCAEFRQWYSUSR-ROUUACIJSA-N 0 0 399.292 4.586 50 0 GJAARN Cc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(F)cc2)c1 ZINC000004518172 570834950 /nfs/dbraw/zinc/83/49/50/570834950.db2.gz KCQXIHVRWPAWBT-UHFFFAOYSA-N 0 0 393.466 4.691 50 0 GJAARN O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012535262 570835283 /nfs/dbraw/zinc/83/52/83/570835283.db2.gz RWQCUWQEQIJNIH-UHFFFAOYSA-N 0 0 388.496 4.706 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)COc1ccc(Cl)cc1C ZINC000005703886 570835921 /nfs/dbraw/zinc/83/59/21/570835921.db2.gz WMWDMQSQQWYDQS-AWEZNQCLSA-N 0 0 385.847 4.632 50 0 GJAARN CSc1nncn1-c1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000012536550 570836394 /nfs/dbraw/zinc/83/63/94/570836394.db2.gz QOHRDYAWXHONRU-UHFFFAOYSA-N 0 0 396.516 4.666 50 0 GJAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N2CCCCCC2)cc1 ZINC000012538491 570837446 /nfs/dbraw/zinc/83/74/46/570837446.db2.gz HNKZJHQHNVTUIR-UHFFFAOYSA-N 0 0 395.528 4.529 50 0 GJAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)Nc1ccc(Cl)cc1 ZINC000033172675 570837462 /nfs/dbraw/zinc/83/74/62/570837462.db2.gz ABRIQBHRGNLNQO-UHFFFAOYSA-N 0 0 386.839 4.634 50 0 GJAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000003216364 570838293 /nfs/dbraw/zinc/83/82/93/570838293.db2.gz QRBHBGPVZMIAHL-UHFFFAOYSA-N 0 0 379.843 4.726 50 0 GJAARN CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)nc21 ZINC000012539489 570838545 /nfs/dbraw/zinc/83/85/45/570838545.db2.gz UFHJDBFWCYKBJQ-AWEZNQCLSA-N 0 0 391.500 4.509 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)c(C)c1)C(=O)[C@H]1CCCC1=N2 ZINC000101946191 570838816 /nfs/dbraw/zinc/83/88/16/570838816.db2.gz MGWFAPXFMSFDLI-KRWDZBQOSA-N 0 0 393.462 4.609 50 0 GJAARN Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc21 ZINC000007424532 570841328 /nfs/dbraw/zinc/84/13/28/570841328.db2.gz YUTVGNGLDXZIOR-UHFFFAOYSA-N 0 0 382.514 4.600 50 0 GJAARN CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1 ZINC000007424680 570841674 /nfs/dbraw/zinc/84/16/74/570841674.db2.gz IYZGJYPPABTYPQ-UHFFFAOYSA-N 0 0 396.541 4.854 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@H](Oc1cccc(C(C)=O)c1)c1ccccc1 ZINC000007436218 570843407 /nfs/dbraw/zinc/84/34/07/570843407.db2.gz WFYVTGYPSKHNBL-HSZRJFAPSA-N 0 0 389.451 4.965 50 0 GJAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 ZINC000240002260 570844411 /nfs/dbraw/zinc/84/44/11/570844411.db2.gz PQIKPTVUDKLXJI-FPOVZHCZSA-N 0 0 380.900 5.952 50 0 GJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1C ZINC000003268408 570845037 /nfs/dbraw/zinc/84/50/37/570845037.db2.gz UPPFHALQASZGEX-UHFFFAOYSA-N 0 0 376.456 4.518 50 0 GJAARN O=C(Nc1nc2c(cc(F)c(F)c2F)s1)c1ccc(Br)cc1 ZINC000003273571 570846736 /nfs/dbraw/zinc/84/67/36/570846736.db2.gz FXDLKCRZVLIVMD-UHFFFAOYSA-N 0 0 387.180 4.728 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3C)cc2)c1C ZINC000014552757 570849655 /nfs/dbraw/zinc/84/96/55/570849655.db2.gz QEBOHUUDHTYGBS-UHFFFAOYSA-N 0 0 388.467 4.882 50 0 GJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000014574176 570849688 /nfs/dbraw/zinc/84/96/88/570849688.db2.gz IQAQSKQITGHCRJ-UHFFFAOYSA-N 0 0 380.231 4.689 50 0 GJAARN COc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000012547438 570850317 /nfs/dbraw/zinc/85/03/17/570850317.db2.gz HRPVVXRCGXYMQC-MRXNPFEDSA-N 0 0 378.476 4.909 50 0 GJAARN Cc1nnc(SCc2nc(-c3ccc(C)c(F)c3)no2)n1-c1cccc(C)c1 ZINC000012549210 570851194 /nfs/dbraw/zinc/85/11/94/570851194.db2.gz JPWVRGAXNNAIAU-UHFFFAOYSA-N 0 0 395.463 4.674 50 0 GJAARN CCOc1ccc2[nH]c(SCc3nc(-c4ccc(CC)cc4)no3)nc2c1 ZINC000012549775 570851694 /nfs/dbraw/zinc/85/16/94/570851694.db2.gz LWIKPMQDIZFFFV-UHFFFAOYSA-N 0 0 380.473 4.866 50 0 GJAARN Fc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc32)cc1Cl ZINC000012550114 570851894 /nfs/dbraw/zinc/85/18/94/570851894.db2.gz OBYNOPUZAAJSNO-UHFFFAOYSA-N 0 0 381.263 4.994 50 0 GJAARN Cc1ccccc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F ZINC000170593864 570852356 /nfs/dbraw/zinc/85/23/56/570852356.db2.gz CUEXLORTMCGJOL-GOSISDBHSA-N 0 0 378.394 4.743 50 0 GJAARN CCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000102571404 570852921 /nfs/dbraw/zinc/85/29/21/570852921.db2.gz QVCNIWILIMHOHS-HTAPYJJXSA-N 0 0 386.455 4.742 50 0 GJAARN CCOc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000102591647 570853173 /nfs/dbraw/zinc/85/31/73/570853173.db2.gz JPURMFOAEPRBKD-ZHRRBRCNSA-N 0 0 386.455 4.742 50 0 GJAARN COc1cc(CNc2ncccc2O[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000170596933 570853920 /nfs/dbraw/zinc/85/39/20/570853920.db2.gz DZHGNVCTQCLJLC-INIZCTEOSA-N 0 0 394.471 4.860 50 0 GJAARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 ZINC000102614740 570854013 /nfs/dbraw/zinc/85/40/13/570854013.db2.gz ICWNWCRWRFXGFI-ZUOKHONESA-N 0 0 392.846 4.702 50 0 GJAARN CSc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102663231 570855932 /nfs/dbraw/zinc/85/59/32/570855932.db2.gz UAKAAXLLJCNBBQ-OAHLLOKOSA-N 0 0 376.432 4.586 50 0 GJAARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000102703607 570857257 /nfs/dbraw/zinc/85/72/57/570857257.db2.gz IZLCXQURFXKYCG-SZNDQCEHSA-N 0 0 392.409 4.930 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3)C2)cc1 ZINC000102736702 570859471 /nfs/dbraw/zinc/85/94/71/570859471.db2.gz XXKBAGGTVZPQQX-QRWLVFNGSA-N 0 0 388.427 4.707 50 0 GJAARN Cc1cccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(F)cc(F)c3)C2)c1 ZINC000102711853 570859977 /nfs/dbraw/zinc/85/99/77/570859977.db2.gz ZVBHQDYEAMGLJX-LHSJRXKWSA-N 0 0 392.409 4.930 50 0 GJAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)cc2)cc1OC ZINC000033252564 570860804 /nfs/dbraw/zinc/86/08/04/570860804.db2.gz NUICGUGKBUHMQP-UHFFFAOYSA-N 0 0 392.434 4.937 50 0 GJAARN C[C@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1nc2ccccc2[nH]1 ZINC000012558942 570861147 /nfs/dbraw/zinc/86/11/47/570861147.db2.gz AJUIKZCNKARRHI-INIZCTEOSA-N 0 0 386.455 4.563 50 0 GJAARN C[C@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000032863097 570861202 /nfs/dbraw/zinc/86/12/02/570861202.db2.gz RHZCNUBXMOTRBK-HNNXBMFYSA-N 0 0 398.484 4.585 50 0 GJAARN O=C(NCCc1nccn1Cc1ccccc1)c1cccc(Oc2ccccc2)c1 ZINC000012559554 570861238 /nfs/dbraw/zinc/86/12/38/570861238.db2.gz UUQBZLRAVHDQIV-UHFFFAOYSA-N 0 0 397.478 4.696 50 0 GJAARN COc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1Cc1ccccc1 ZINC000012559331 570861498 /nfs/dbraw/zinc/86/14/98/570861498.db2.gz PDAVZGVTVATHOV-UHFFFAOYSA-N 0 0 385.467 4.734 50 0 GJAARN c1cn2c(CNc3ccc(N4CCOCC4)cc3)c(-c3ccccc3)nc2s1 ZINC000012559797 570861841 /nfs/dbraw/zinc/86/18/41/570861841.db2.gz IJZGDICCULUYQT-UHFFFAOYSA-N 0 0 390.512 4.512 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1C ZINC000033255267 570862830 /nfs/dbraw/zinc/86/28/30/570862830.db2.gz AVNIEMXKVQCSFI-UHFFFAOYSA-N 0 0 394.450 4.904 50 0 GJAARN Cn1ccnc1Sc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000032865899 570862956 /nfs/dbraw/zinc/86/29/56/570862956.db2.gz PCDJKANSLJJRNG-UHFFFAOYSA-N 0 0 377.391 4.842 50 0 GJAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1 ZINC000033255416 570863011 /nfs/dbraw/zinc/86/30/11/570863011.db2.gz JCMAMMNXPFHITA-UHFFFAOYSA-N 0 0 376.460 4.598 50 0 GJAARN O=C(CSc1cc(N2CCCCC2)ncn1)Nc1cc(Cl)ccc1Cl ZINC000044112038 570863915 /nfs/dbraw/zinc/86/39/15/570863915.db2.gz VMIUICUQJGXOQK-UHFFFAOYSA-N 0 0 397.331 4.505 50 0 GJAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Cl)ccc3OC(F)F)C2)cc1 ZINC000102799735 570864175 /nfs/dbraw/zinc/86/41/75/570864175.db2.gz YAABGCRPKRFAMG-OAHLLOKOSA-N 0 0 392.768 4.728 50 0 GJAARN CCCCN(C)C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261198 570867661 /nfs/dbraw/zinc/86/76/61/570867661.db2.gz HODZCWMHHCZVBW-UHFFFAOYSA-N 0 0 378.451 4.898 50 0 GJAARN O=C(c1cc(Nc2ccc(Cl)cc2)c2ccccc2n1)N1CCSCC1 ZINC000044169639 570867995 /nfs/dbraw/zinc/86/79/95/570867995.db2.gz PPRDXDNCVJPVFQ-UHFFFAOYSA-N 0 0 383.904 4.821 50 0 GJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cccc(-n2cccc2)c1 ZINC000012563323 570868487 /nfs/dbraw/zinc/86/84/87/570868487.db2.gz KTVGHKNJNBOWRU-UHFFFAOYSA-N 0 0 376.847 4.628 50 0 GJAARN CC(=O)N(c1nc(COC(=O)c2cccs2)cs1)c1ccc(C)c(C)c1 ZINC000007533060 570870441 /nfs/dbraw/zinc/87/04/41/570870441.db2.gz VGJPGIZCGZOQPE-UHFFFAOYSA-N 0 0 386.498 4.863 50 0 GJAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccsc2)C3)c1 ZINC000014997418 570870852 /nfs/dbraw/zinc/87/08/52/570870852.db2.gz ARLYCOCSAXJGGC-UHFFFAOYSA-N 0 0 381.497 4.827 50 0 GJAARN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H](C)C[C@H](C)C3)n2)CCC4)CC1 ZINC000003504499 570873881 /nfs/dbraw/zinc/87/38/81/570873881.db2.gz QWMAEGORXUJQDA-CALCHBBNSA-N 0 0 398.620 4.894 50 0 GJAARN O=C(CCC1CCN(C(=O)C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000015063469 570875169 /nfs/dbraw/zinc/87/51/69/570875169.db2.gz QZCZCXBNEGNQKM-UHFFFAOYSA-N 0 0 380.891 4.627 50 0 GJAARN Cc1cc(CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)[nH]n1 ZINC000015064774 570875242 /nfs/dbraw/zinc/87/52/42/570875242.db2.gz NOXOPXUUPIUUKE-UHFFFAOYSA-N 0 0 385.515 4.820 50 0 GJAARN Cc1cccc(OCCCCn2c(CCNC(=O)C(C)C)nc3ccccc32)c1 ZINC000007545414 570877796 /nfs/dbraw/zinc/87/77/96/570877796.db2.gz CHRRPAHMQBESGZ-UHFFFAOYSA-N 0 0 393.531 4.519 50 0 GJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCC2)cc1C ZINC000033263783 570878937 /nfs/dbraw/zinc/87/89/37/570878937.db2.gz FLDORBYWLHWSAZ-UHFFFAOYSA-N 0 0 377.492 4.527 50 0 GJAARN Cc1c2ccc(C)cc2oc1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000015080734 570879369 /nfs/dbraw/zinc/87/93/69/570879369.db2.gz ZUXVFAKOEJPTIR-SFHVURJKSA-N 0 0 380.463 4.583 50 0 GJAARN O=C(c1ccccc1Br)N(Cc1ccsc1)Cc1ccccn1 ZINC000044446040 570880036 /nfs/dbraw/zinc/88/00/36/570880036.db2.gz XYCSDIZIEVXMCE-UHFFFAOYSA-N 0 0 387.302 4.748 50 0 GJAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170622921 570880097 /nfs/dbraw/zinc/88/00/97/570880097.db2.gz DPRJDEIBJFCCER-GFCCVEGCSA-N 0 0 375.350 4.589 50 0 GJAARN CCc1ccc(CNC(=O)c2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000033264744 570883660 /nfs/dbraw/zinc/88/36/60/570883660.db2.gz AOPGNEQSEIQINV-UHFFFAOYSA-N 0 0 383.495 4.841 50 0 GJAARN CC(=O)c1cc(CCC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)oc1C ZINC000032882694 570883855 /nfs/dbraw/zinc/88/38/55/570883855.db2.gz XDIHFWKHLBGCIB-UHFFFAOYSA-N 0 0 378.472 4.611 50 0 GJAARN O=C(NCc1ccc(Cn2ccnc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012602686 570887099 /nfs/dbraw/zinc/88/70/99/570887099.db2.gz OIBXUAOARBZFAL-UHFFFAOYSA-N 0 0 375.259 4.560 50 0 GJAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc2ccccc2oc1=O ZINC000012606977 570889157 /nfs/dbraw/zinc/88/91/57/570889157.db2.gz YFUJXWZLKKOJBV-UHFFFAOYSA-N 0 0 382.847 4.689 50 0 GJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1ccc(N(C)C)cc1 ZINC000012610397 570890434 /nfs/dbraw/zinc/89/04/34/570890434.db2.gz IHLNEZYNIODDKO-UHFFFAOYSA-N 0 0 381.501 4.657 50 0 GJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012611908 570890457 /nfs/dbraw/zinc/89/04/57/570890457.db2.gz JDONHASJWHGJKT-GOSISDBHSA-N 0 0 375.403 4.939 50 0 GJAARN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2sccc2c1 ZINC000010219092 570892408 /nfs/dbraw/zinc/89/24/08/570892408.db2.gz BHRFUBXLLAVJMA-UHFFFAOYSA-N 0 0 393.917 4.747 50 0 GJAARN C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1F ZINC000015356155 570892520 /nfs/dbraw/zinc/89/25/20/570892520.db2.gz WEFMGRMYIDHENF-LLVKDONJSA-N 0 0 376.403 4.647 50 0 GJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cn(-c2ccccc2)nc1C ZINC000010384822 570893795 /nfs/dbraw/zinc/89/37/95/570893795.db2.gz NNOPNTJRZFYJOW-NRFANRHFSA-N 0 0 378.863 4.532 50 0 GJAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)cc1 ZINC000015413164 570893819 /nfs/dbraw/zinc/89/38/19/570893819.db2.gz KXSGABQNATYWOT-JOCHJYFZSA-N 0 0 390.870 4.770 50 0 GJAARN Cc1nc2ccccc2n1CCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000032900453 570894459 /nfs/dbraw/zinc/89/44/59/570894459.db2.gz FXOAXJWWIFCJEN-CQSZACIVSA-N 0 0 387.936 4.685 50 0 GJAARN O=C(c1ccccc1SC(F)F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000032899610 570895343 /nfs/dbraw/zinc/89/53/43/570895343.db2.gz QHHMUOPWUCGXFI-ZDUSSCGKSA-N 0 0 387.455 4.897 50 0 GJAARN Cc1cccc(N2C(=S)N=C(Nc3ccccc3)[C@]23CCOC(C)(C)C3)c1 ZINC000097969086 570895430 /nfs/dbraw/zinc/89/54/30/570895430.db2.gz JWLKSHHTMJWYLD-JOCHJYFZSA-N 0 0 379.529 4.938 50 0 GJAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000015539973 570896410 /nfs/dbraw/zinc/89/64/10/570896410.db2.gz BGWMKAWEKDGKSQ-KRWDZBQOSA-N 0 0 382.460 4.762 50 0 GJAARN CCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000097139072 570898756 /nfs/dbraw/zinc/89/87/56/570898756.db2.gz AYFCEIZMTYFWBS-OAHLLOKOSA-N 0 0 397.910 4.825 50 0 GJAARN COc1ncccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC000097159032 570900576 /nfs/dbraw/zinc/90/05/76/570900576.db2.gz DGYAJBKPFARILA-UHFFFAOYSA-N 0 0 394.456 4.532 50 0 GJAARN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(CO)CO ZINC000013760073 570900935 /nfs/dbraw/zinc/90/09/35/570900935.db2.gz QHELXIATGZYOIB-DOFZRALJSA-N 0 0 377.569 4.602 50 0 endogenous,in-man GJAARN CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1ccc(F)cc1 ZINC000015019499 570901464 /nfs/dbraw/zinc/90/14/64/570901464.db2.gz LIZHDOAGEFRVDA-UHFFFAOYSA-N 0 0 398.507 4.527 50 0 GJAARN Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cnn1-c1ccccc1F ZINC000032903179 570901622 /nfs/dbraw/zinc/90/16/22/570901622.db2.gz ZBGPKZPDYLCTDK-UHFFFAOYSA-N 0 0 393.340 4.513 50 0 GJAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 ZINC000004575545 570902855 /nfs/dbraw/zinc/90/28/55/570902855.db2.gz XFCGFNMQZATKKP-UHFFFAOYSA-N 0 0 386.542 4.837 50 0 GJAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1cccs1 ZINC000014047933 570903155 /nfs/dbraw/zinc/90/31/55/570903155.db2.gz GFVCTSQMJHYFRW-INIZCTEOSA-N 0 0 399.541 4.694 50 0 GJAARN CCCCCCc1cc2cc(C(=O)Nc3ccc(OC)cc3)c(=O)oc2cc1O ZINC000004575982 570903906 /nfs/dbraw/zinc/90/39/06/570903906.db2.gz 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Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3ccc4c(c3)OCO4)c2n1 ZINC000005732448 570913122 /nfs/dbraw/zinc/91/31/22/570913122.db2.gz IXLRTIFTTGPSQG-UHFFFAOYSA-N 0 0 390.222 4.840 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(C)nc2c3ccccc3sc2c1=O ZINC000016841897 570913583 /nfs/dbraw/zinc/91/35/83/570913583.db2.gz MHZDBVNYMAGNDW-UHFFFAOYSA-N 0 0 397.887 4.520 50 0 GJAARN CCOc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)[nH]n3)n2)cc1OC ZINC000016846833 570913744 /nfs/dbraw/zinc/91/37/44/570913744.db2.gz QDBJDAHNPZMJAB-UHFFFAOYSA-N 0 0 390.443 4.818 50 0 GJAARN O=C(CSc1ncc(-c2ccccc2)n1C1CC1)N1CCc2ccccc21 ZINC000011262416 570914403 /nfs/dbraw/zinc/91/44/03/570914403.db2.gz AVIBFOSAEREOTO-UHFFFAOYSA-N 0 0 375.497 4.566 50 0 GJAARN CCCCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 ZINC000005735667 570914390 /nfs/dbraw/zinc/91/43/90/570914390.db2.gz OWMWMDMOFPIHKA-UHFFFAOYSA-N 0 0 399.516 4.852 50 0 GJAARN O=C(Nc1ccccc1OC(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000089826096 570916165 /nfs/dbraw/zinc/91/61/65/570916165.db2.gz 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ZINC000010611869 570922349 /nfs/dbraw/zinc/92/23/49/570922349.db2.gz ZLZBKRDOAYMYEJ-KRWDZBQOSA-N 0 0 398.553 4.742 50 0 GJAARN C[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)C(=O)c1ccccc1 ZINC000016322525 570922350 /nfs/dbraw/zinc/92/23/50/570922350.db2.gz ZEMJLRSNEDBPLT-INIZCTEOSA-N 0 0 398.418 4.832 50 0 GJAARN COc1ccc(-c2nc3cc(N(C(=O)C(C)C)C(=O)C(C)C)ccc3o2)cc1 ZINC000016323431 570922471 /nfs/dbraw/zinc/92/24/71/570922471.db2.gz XFWGMWDNRVFXDC-UHFFFAOYSA-N 0 0 380.444 4.675 50 0 GJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000017013322 570924319 /nfs/dbraw/zinc/92/43/19/570924319.db2.gz AKFUANAUYXSPDR-UHFFFAOYSA-N 0 0 381.867 4.500 50 0 GJAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c(C)c1 ZINC000017025892 570924810 /nfs/dbraw/zinc/92/48/10/570924810.db2.gz KGYLLOXHUDIMSA-UHFFFAOYSA-N 0 0 399.903 4.847 50 0 GJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccccc2Cl)CCS3)cc1 ZINC000017051294 570925514 /nfs/dbraw/zinc/92/55/14/570925514.db2.gz IDQUKYSZGIJPQN-UHFFFAOYSA-N 0 0 383.904 4.548 50 0 GJAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1 ZINC000004059652 570926830 /nfs/dbraw/zinc/92/68/30/570926830.db2.gz FMFVRDKRFKJSTJ-UHFFFAOYSA-N 0 0 376.481 4.691 50 0 GJAARN Cc1nc(C(C)(C)NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)sc1C ZINC000170633596 570927492 /nfs/dbraw/zinc/92/74/92/570927492.db2.gz PEVLDYIEPHZAEY-UHFFFAOYSA-N 0 0 397.422 4.805 50 0 GJAARN COc1ccc(CN(C(C)=O)C(=O)CC[C@]2(C(C)C)CCOC(C)(C)C2)cc1 ZINC000004062871 570927699 /nfs/dbraw/zinc/92/76/99/570927699.db2.gz BFBSQGWEYIKZKQ-QHCPKHFHSA-N 0 0 389.536 4.582 50 0 biogenic GJAARN C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)c(C(N)=O)c2C1 ZINC000004071916 570929392 /nfs/dbraw/zinc/92/93/92/570929392.db2.gz HLCAYXGMQBJWNK-MRVPVSSYSA-N 0 0 383.300 4.531 50 0 GJAARN COc1ccc(-n2c(=O)c3cc(-c4ccccc4)sc3[nH]c2=S)c(OC)c1 ZINC000001036119 570930505 /nfs/dbraw/zinc/93/05/05/570930505.db2.gz DJMPOERCABAULR-UHFFFAOYSA-N 0 0 396.493 4.794 50 0 GJAARN Cc1nn(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000001076907 570931289 /nfs/dbraw/zinc/93/12/89/570931289.db2.gz OQKSSBKWBLSMJK-UHFFFAOYSA-N 0 0 387.483 4.897 50 0 GJAARN Cc1ccc(CSCC(=O)Nc2cccc(OCc3ccncc3)c2)cc1 ZINC000032921885 570933630 /nfs/dbraw/zinc/93/36/30/570933630.db2.gz MINPCGDLPBSPHE-UHFFFAOYSA-N 0 0 378.497 4.841 50 0 GJAARN Cn1c(COc2ccccc2Cl)nn(CN(C2CC2)C2CCCC2)c1=S ZINC000032923188 570934371 /nfs/dbraw/zinc/93/43/71/570934371.db2.gz RTZPAPDZPCIFFO-UHFFFAOYSA-N 0 0 392.956 4.548 50 0 GJAARN O=C(Nc1nc(-c2ccccc2Cl)ns1)c1ccccc1Br ZINC000110382016 570935016 /nfs/dbraw/zinc/93/50/16/570935016.db2.gz FZNYKHAQTXCVMQ-UHFFFAOYSA-N 0 0 394.681 4.873 50 0 GJAARN O=C(CCC(=O)c1cccs1)NCc1ccccc1COCc1ccccc1 ZINC000032925104 570935295 /nfs/dbraw/zinc/93/52/95/570935295.db2.gz MRAGEJRMSBTRIK-UHFFFAOYSA-N 0 0 393.508 4.744 50 0 GJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2cccc(C)c2)cc1 ZINC000046913410 570935496 /nfs/dbraw/zinc/93/54/96/570935496.db2.gz ABMJJVGEQBJSBH-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN Cc1c(C(=O)OCc2cccc(C(F)(F)F)c2)nnn1-c1ccc(C)c(C)c1 ZINC000046914009 570936583 /nfs/dbraw/zinc/93/65/83/570936583.db2.gz WBUAYNUYBOGBIT-UHFFFAOYSA-N 0 0 389.377 4.568 50 0 GJAARN O=C(Nc1cccc(-c2noc(COc3ccccc3)n2)c1)c1cccs1 ZINC000006697393 570938295 /nfs/dbraw/zinc/93/82/95/570938295.db2.gz CFFNZPJFJZVUJM-UHFFFAOYSA-N 0 0 377.425 4.629 50 0 GJAARN CCO[C@H]1C[C@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 ZINC000170638757 570939625 /nfs/dbraw/zinc/93/96/25/570939625.db2.gz QWOLFGKVXQVPTO-KBPBESRZSA-N 0 0 398.450 4.701 50 0 GJAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007721291 570940974 /nfs/dbraw/zinc/94/09/74/570940974.db2.gz RMXRIVRPORSMBD-UHFFFAOYSA-N 0 0 379.504 4.610 50 0 GJAARN COc1cccc(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)c1 ZINC000017113282 570941657 /nfs/dbraw/zinc/94/16/57/570941657.db2.gz VYCZPORTTSEUNI-UHFFFAOYSA-N 0 0 388.475 4.636 50 0 GJAARN Clc1cccc(-n2ncc3c2ncnc3NC23CC4CC(CC(C4)C2)C3)c1 ZINC000017150053 570942290 /nfs/dbraw/zinc/94/22/90/570942290.db2.gz MLFDZPJNQUCSPK-UHFFFAOYSA-N 0 0 379.895 4.850 50 0 GJAARN CC(C)(C)c1ncc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)cn1 ZINC000170640194 570946227 /nfs/dbraw/zinc/94/62/27/570946227.db2.gz RDQBYPIRQRLHNY-UHFFFAOYSA-N 0 0 377.410 4.853 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)cc1 ZINC000012653212 570947370 /nfs/dbraw/zinc/94/73/70/570947370.db2.gz WYZZAPAQRZAYTQ-CQSZACIVSA-N 0 0 379.485 4.621 50 0 GJAARN CSc1ncccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000032936103 570947414 /nfs/dbraw/zinc/94/74/14/570947414.db2.gz OQAAYMIJUQXPHA-UHFFFAOYSA-N 0 0 375.906 4.510 50 0 GJAARN O=C(NCc1ccco1)c1ccccc1Sc1ccc(Br)cn1 ZINC000047194809 570947424 /nfs/dbraw/zinc/94/74/24/570947424.db2.gz NEXAEWWJUGMEIS-UHFFFAOYSA-N 0 0 389.274 4.518 50 0 GJAARN O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(Cl)ccc1Cl ZINC000005442339 570947427 /nfs/dbraw/zinc/94/74/27/570947427.db2.gz WPHITBAJUZJAEC-UHFFFAOYSA-N 0 0 391.283 4.576 50 0 GJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2ccc(-n3cccn3)cc2)c1 ZINC000012684933 570949356 /nfs/dbraw/zinc/94/93/56/570949356.db2.gz AWOLEJZXQRZPLN-UHFFFAOYSA-N 0 0 393.443 4.576 50 0 GJAARN Cc1cccc(-n2nc3nc(NC4CC4)nc(-c4cccc(Cl)c4)c3c2N)c1 ZINC000037360292 570949472 /nfs/dbraw/zinc/94/94/72/570949472.db2.gz VVCOPFDKBHROBF-UHFFFAOYSA-N 0 0 390.878 4.601 50 0 GJAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C)oc2c3C(=O)CCC2)c(C)c1 ZINC000004735801 570950364 /nfs/dbraw/zinc/95/03/64/570950364.db2.gz KTDXKSHWZDSGSL-UHFFFAOYSA-N 0 0 397.496 4.986 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2c2ccccc21 ZINC000018087941 570950442 /nfs/dbraw/zinc/95/04/42/570950442.db2.gz UJLFYDISOKCPGY-JQBYJRRVSA-N 0 0 385.850 4.737 50 0 GJAARN COc1ccc2cc(CN(C)C(=O)c3cccnc3SC(F)F)ccc2c1 ZINC000025680701 570950622 /nfs/dbraw/zinc/95/06/22/570950622.db2.gz QZDVUWOOMCZDSK-UHFFFAOYSA-N 0 0 388.439 4.830 50 0 GJAARN CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1c(C)n(C)c2ccccc21 ZINC000002111331 570950771 /nfs/dbraw/zinc/95/07/71/570950771.db2.gz OIWZSCUMDYLGFR-UHFFFAOYSA-N 0 0 389.451 4.726 50 0 biogenic GJAARN CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC(C)C)cc1 ZINC000004265232 570951350 /nfs/dbraw/zinc/95/13/50/570951350.db2.gz ADUUNHQLQIPNLE-UHFFFAOYSA-N 0 0 381.501 4.626 50 0 GJAARN CCCCOc1ccc(CNC(=O)c2csc(Nc3ccccc3)n2)cc1 ZINC000033280718 570954268 /nfs/dbraw/zinc/95/42/68/570954268.db2.gz PZHBFLRMUGSDIJ-UHFFFAOYSA-N 0 0 381.501 4.996 50 0 GJAARN CCc1c(C)sc(NC(=O)/C=C\c2ccc(OC)cc2)c1C(=O)OC(C)C ZINC000033288760 570955955 /nfs/dbraw/zinc/95/59/55/570955955.db2.gz QKHDJYSBRWZUOS-XFXZXTDPSA-N 0 0 387.501 4.845 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033288858 570956106 /nfs/dbraw/zinc/95/61/06/570956106.db2.gz RNCLEOGWOHFSMO-UHFFFAOYSA-N 0 0 381.526 4.975 50 0 GJAARN Cc1ccccc1NC(=O)CSc1nccnc1Sc1ccccc1C ZINC000033288956 570956437 /nfs/dbraw/zinc/95/64/37/570956437.db2.gz XHQKEYIOTOGOHD-UHFFFAOYSA-N 0 0 381.526 4.975 50 0 GJAARN CCCNC(=O)c1ccccc1Sc1nccnc1Oc1ccc(C)cc1 ZINC000033289209 570956540 /nfs/dbraw/zinc/95/65/40/570956540.db2.gz RHZCZTQHVZUCMQ-UHFFFAOYSA-N 0 0 379.485 4.868 50 0 GJAARN COc1ccc(NC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1NC(C)=O ZINC000047484551 570958995 /nfs/dbraw/zinc/95/89/95/570958995.db2.gz OKJMXVIIFDAKMT-UHFFFAOYSA-N 0 0 396.274 4.624 50 0 GJAARN COC(=O)[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 ZINC000004747493 570959072 /nfs/dbraw/zinc/95/90/72/570959072.db2.gz JSHBNZSVAYLBJK-FQEVSTJZSA-N 0 0 398.842 4.618 50 0 GJAARN Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c32)cc1C ZINC000033291868 570959192 /nfs/dbraw/zinc/95/91/92/570959192.db2.gz PZQJOWYYTCPKNX-UHFFFAOYSA-N 0 0 388.496 4.973 50 0 GJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCCCC1)occ3C(C)(C)C ZINC000004743887 570959524 /nfs/dbraw/zinc/95/95/24/570959524.db2.gz JYXAGRZDTSWHBD-UHFFFAOYSA-N 0 0 381.472 4.700 50 0 GJAARN Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2nc3ccccc3s2)c(O)c1 ZINC000004126006 570960264 /nfs/dbraw/zinc/96/02/64/570960264.db2.gz ZLWKGVVKQABHES-UHFFFAOYSA-N 0 0 377.347 4.783 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2s1 ZINC000033298811 570962452 /nfs/dbraw/zinc/96/24/52/570962452.db2.gz RHRCMBASVGPJTH-UHFFFAOYSA-N 0 0 378.544 4.942 50 0 GJAARN COc1ccc(OC)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000000640525 570963119 /nfs/dbraw/zinc/96/31/19/570963119.db2.gz IYXIKYXLEDBNMC-UHFFFAOYSA-N 0 0 376.456 4.938 50 0 GJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1cccnc1SC(F)F ZINC000011286922 570964099 /nfs/dbraw/zinc/96/40/99/570964099.db2.gz SPNZBSSZFJMNDX-UHFFFAOYSA-N 0 0 376.384 4.717 50 0 GJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000033299607 570964391 /nfs/dbraw/zinc/96/43/91/570964391.db2.gz PWQXETPLSLACJZ-RDJZCZTQSA-N 0 0 397.519 4.838 50 0 GJAARN CCc1ccc(OCc2nnc(SCCCC(C)=O)n2CC(C)C)cc1 ZINC000083823769 570967028 /nfs/dbraw/zinc/96/70/28/570967028.db2.gz IYJAXJSNNHUJHO-UHFFFAOYSA-N 0 0 375.538 4.537 50 0 GJAARN CCN1c2cccc3c2c(ccc3NC(=O)CCSc2ccccc2)C1=O ZINC000004167562 570969125 /nfs/dbraw/zinc/96/91/25/570969125.db2.gz ATKMOKCNNHBVFW-UHFFFAOYSA-N 0 0 376.481 4.941 50 0 GJAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)Nc1c(F)cccc1F 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GJAARN CCOc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCC4)c32)cc1 ZINC000033312562 570971948 /nfs/dbraw/zinc/97/19/48/570971948.db2.gz YSKYUOQSQGRZBT-UHFFFAOYSA-N 0 0 396.516 4.641 50 0 GJAARN CCOC(=O)C1=C(N)Oc2c3ccccc3c(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000002154079 570973514 /nfs/dbraw/zinc/97/35/14/570973514.db2.gz WAMCCVVLVWUPER-GOSISDBHSA-N 0 0 397.833 4.890 50 0 GJAARN O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000019315351 570973904 /nfs/dbraw/zinc/97/39/04/570973904.db2.gz YVVIJIRSJXEXBB-AWEZNQCLSA-N 0 0 384.134 4.642 50 0 GJAARN CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O ZINC000019325191 570974694 /nfs/dbraw/zinc/97/46/94/570974694.db2.gz RCLMOECMSYIMBN-UHFFFAOYSA-N 0 0 381.347 4.779 50 0 GJAARN CC(C)(C)C(=O)Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1 ZINC000033320628 570977240 /nfs/dbraw/zinc/97/72/40/570977240.db2.gz YYLBRKUZRHPTMS-UHFFFAOYSA-N 0 0 382.895 4.695 50 0 GJAARN CC(C)(C)C(=O)Nc1ccc(N2CCn3c(nc4cc(Cl)ccc43)C2)cc1 ZINC000033320603 570977278 /nfs/dbraw/zinc/97/72/78/570977278.db2.gz 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570981278 /nfs/dbraw/zinc/98/12/78/570981278.db2.gz VKBVXAOXDUCHIA-SFHVURJKSA-N 0 0 399.878 4.744 50 0 GJAARN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2n1Cc1ccccc1 ZINC000033327223 570981706 /nfs/dbraw/zinc/98/17/06/570981706.db2.gz RKXQNHBMMDSJHA-DEOSSOPVSA-N 0 0 394.478 4.782 50 0 GJAARN O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cc2cc(F)ccc2s1 ZINC000585149382 570982993 /nfs/dbraw/zinc/98/29/93/570982993.db2.gz NAJOACDTTNLMHQ-GOSISDBHSA-N 0 0 375.490 5.000 50 0 GJAARN Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(Br)c1 ZINC000012746098 570988959 /nfs/dbraw/zinc/98/89/59/570988959.db2.gz XVWZUWOVNPNDLG-ZDUSSCGKSA-N 0 0 388.261 4.760 50 0 GJAARN Cc1nn(Cc2ccccc2)c(Cl)c1CSc1nnc(C(C)(C)C)o1 ZINC000084014165 570990774 /nfs/dbraw/zinc/99/07/74/570990774.db2.gz PRDBBXGWABKFRM-UHFFFAOYSA-N 0 0 376.913 4.866 50 0 GJAARN Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000084052950 570992281 /nfs/dbraw/zinc/99/22/81/570992281.db2.gz JEDDPSUJSSURTG-QAPCUYQASA-N 0 0 386.448 4.501 50 0 GJAARN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1 ZINC000252549681 570994863 /nfs/dbraw/zinc/99/48/63/570994863.db2.gz RRMPBFKPCBHFOX-HNNXBMFYSA-N 0 0 381.307 4.527 50 0 GJAARN C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1cccc2ccccc21 ZINC000084070301 570995215 /nfs/dbraw/zinc/99/52/15/570995215.db2.gz PAXZDCMRYRTWRZ-SNVBAGLBSA-N 0 0 391.320 4.580 50 0 GJAARN COc1cccc(-c2nc(C(=O)N3CC[C@H]3c3ccccc3F)cs2)c1OC ZINC000170652120 570998471 /nfs/dbraw/zinc/99/84/71/570998471.db2.gz AXHUADZWJWYFTL-KRWDZBQOSA-N 0 0 398.459 4.554 50 0 GJAARN CC(C)OC(=O)c1nc2ccccc2nc1Nc1ccc(Br)cc1 ZINC000045901503 570999460 /nfs/dbraw/zinc/99/94/60/570999460.db2.gz OVFLFEPKQNYCOZ-UHFFFAOYSA-N 0 0 386.249 4.701 50 0 GJAARN Cc1cc(NC(=O)[C@@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)on1 ZINC000084124462 571000783 /nfs/dbraw/zinc/00/07/83/571000783.db2.gz CPSGTJHRGBPWGN-CYBMUJFWSA-N 0 0 378.457 4.699 50 0 GJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)c1nc2ccccc2s1 ZINC000084124556 571001174 /nfs/dbraw/zinc/00/11/74/571001174.db2.gz 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O=C(Cc1csc(-c2ccco2)n1)N[C@H](c1cccs1)c1ccccc1 ZINC000012773680 571027573 /nfs/dbraw/zinc/02/75/73/571027573.db2.gz UEYXIEPDZLONMZ-IBGZPJMESA-N 0 0 380.494 4.913 50 0 GJAARN C[C@H](CC(=O)c1ccccc1)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000084636736 571028152 /nfs/dbraw/zinc/02/81/52/571028152.db2.gz FKGBSCNBVSLEGU-HUUCEWRRSA-N 0 0 377.406 4.977 50 0 GJAARN CCn1c(C(=O)NCc2ccccc2F)cc2sc(Br)cc21 ZINC000037541743 571029273 /nfs/dbraw/zinc/02/92/73/571029273.db2.gz BFDNYYZZCUWDRN-UHFFFAOYSA-N 0 0 381.270 4.554 50 0 GJAARN Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000084673289 571030218 /nfs/dbraw/zinc/03/02/18/571030218.db2.gz BIOXONBFNPPHQH-CQSZACIVSA-N 0 0 390.723 4.747 50 0 GJAARN Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(Cl)c1 ZINC000037570908 571032607 /nfs/dbraw/zinc/03/26/07/571032607.db2.gz NWPVDEOWAGNJGP-CQSZACIVSA-N 0 0 396.796 4.659 50 0 GJAARN COc1ccc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)c(OC)c1 ZINC000012780546 571034155 /nfs/dbraw/zinc/03/41/55/571034155.db2.gz 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COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000001140989 209305630 /nfs/dbraw/zinc/30/56/30/209305630.db2.gz BSYIKQPEJZCEAC-OAQYLSRUSA-N 0 0 381.859 4.877 50 0 biogenic,in-vitro GJAARN Cc1ccc(S(=O)(=O)c2nc(C(C)(C)C)oc2NCc2ccccc2)cc1 ZINC000001142598 209305060 /nfs/dbraw/zinc/30/50/60/209305060.db2.gz YEVXXFOTEBVJIT-UHFFFAOYSA-N 0 0 384.501 4.725 50 0 GJAARN CCOC(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)nc1C ZINC000001114605 209302208 /nfs/dbraw/zinc/30/22/08/209302208.db2.gz GAVZLZWIWOAAFH-UHFFFAOYSA-N 0 0 394.452 4.505 50 0 GJAARN c1ccc2c(c1)oc(-c1ccc3c(c1)OCO3)c/c2=N\c1ccc2c(c1)OCO2 ZINC000001106371 209300705 /nfs/dbraw/zinc/30/07/05/209300705.db2.gz ZZUWJTHSMFPUOG-JJIBRWJFSA-N 0 0 385.375 4.790 50 0 biogenic GJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CSC2CCCCC2)cc1 ZINC000001094723 209299837 /nfs/dbraw/zinc/29/98/37/209299837.db2.gz QETRFDHRICKGLD-UHFFFAOYSA-N 0 0 383.513 4.911 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000001071784 209296458 /nfs/dbraw/zinc/29/64/58/209296458.db2.gz TXEUBAWRIDRJGZ-UHFFFAOYSA-N 0 0 389.860 4.942 50 0 GJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OC4CCC(C)CC4)c(C)c3C(=O)C2)cc1 ZINC000001070558 209296948 /nfs/dbraw/zinc/29/69/48/209296948.db2.gz IDXBKSICXFKTII-KGYZHSKHSA-N 0 0 395.499 4.980 50 0 GJAARN Cc1ccc(OCc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000001076276 209297002 /nfs/dbraw/zinc/29/70/02/209297002.db2.gz QVJFOMFVLBDDGK-UHFFFAOYSA-N 0 0 386.495 4.536 50 0 GJAARN COC(=O)c1cnc(Oc2c(Cl)cc(N)cc2Cl)cc1C(F)(F)F ZINC000001043011 209292325 /nfs/dbraw/zinc/29/23/25/209292325.db2.gz WQDZBJHCTJUUNW-UHFFFAOYSA-N 0 0 381.137 4.568 50 0 GJAARN CC(C)(C)c1ccc(-c2cc(NC(=S)NC(=O)c3ccccc3)n[nH]2)cc1 ZINC000001037319 209291549 /nfs/dbraw/zinc/29/15/49/209291549.db2.gz PILMCYLMWBQSKG-UHFFFAOYSA-N 0 0 378.501 4.501 50 0 GJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000001037996 209291614 /nfs/dbraw/zinc/29/16/14/209291614.db2.gz PNAIXJPNAVCLSY-NSHDSACASA-N 0 0 380.271 4.770 50 0 biogenic GJAARN CCc1cccc(C)c1NC(=O)COc1cc2c(cc1OC)C=CC(C)(C)O2 ZINC000001036748 209291400 /nfs/dbraw/zinc/29/14/00/209291400.db2.gz UKHXAKOPTZLBGH-UHFFFAOYSA-N 0 0 381.472 4.768 50 0 GJAARN S=C(NCc1ccc(-c2csnn2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000001035020 209291185 /nfs/dbraw/zinc/29/11/85/209291185.db2.gz YBBDWOJUTWJIDJ-UHFFFAOYSA-N 0 0 395.340 4.999 50 0 GJAARN COc1ccc([C@H](O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC ZINC000001024720 209290607 /nfs/dbraw/zinc/29/06/07/209290607.db2.gz IVIPOHNOZWHEMV-HNNXBMFYSA-N 0 0 380.284 4.823 50 0 GJAARN CCOC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(OC)cc21 ZINC000001025414 209290414 /nfs/dbraw/zinc/29/04/14/209290414.db2.gz UDBXMVSUTISSOD-UHFFFAOYSA-N 0 0 388.261 4.887 50 0 biogenic GJAARN COc1cccc(NC(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)c1 ZINC000001020378 209288734 /nfs/dbraw/zinc/28/87/34/209288734.db2.gz QBTSPCMQWRGXCW-RPWUZVMVSA-N 0 0 387.483 4.606 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)c(OC)c1 ZINC000001002738 209287994 /nfs/dbraw/zinc/28/79/94/209287994.db2.gz BNYZOZFEKCFARC-UHFFFAOYSA-N 0 0 390.483 4.935 50 0 GJAARN Cc1cc(C)c(-n2nnnc2SCc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000001023529 209289655 /nfs/dbraw/zinc/28/96/55/209289655.db2.gz FDTNRBMFDQCZSA-UHFFFAOYSA-N 0 0 394.422 4.778 50 0 GJAARN O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000001029921 209289822 /nfs/dbraw/zinc/28/98/22/209289822.db2.gz UIXFEIWGHZATAO-UHFFFAOYSA-N 0 0 380.753 4.944 50 0 GJAARN O=C(Nc1cccc(I)c1)c1cc(Cl)ccc1Cl ZINC000001008355 209289295 /nfs/dbraw/zinc/28/92/95/209289295.db2.gz XILHAPALKYXQQS-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000001006643 209289117 /nfs/dbraw/zinc/28/91/17/209289117.db2.gz FTFDSXNVHWLHNY-UHFFFAOYSA-N 0 0 378.403 4.729 50 0 GJAARN CC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(Br)c3)cc21 ZINC000000998234 209286897 /nfs/dbraw/zinc/28/68/97/209286897.db2.gz POVXICOIUWEXOO-UHFFFAOYSA-N 0 0 386.245 4.671 50 0 GJAARN O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(Cl)cn1 ZINC000000975098 209285219 /nfs/dbraw/zinc/28/52/19/209285219.db2.gz IBVZJLDIALJPAW-UHFFFAOYSA-N 0 0 391.858 4.679 50 0 GJAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)cc1 ZINC000000970541 209284901 /nfs/dbraw/zinc/28/49/01/209284901.db2.gz ZEIKLRJLJKMZHB-UHFFFAOYSA-N 0 0 396.450 4.685 50 0 GJAARN COc1ccc2nc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)sc2c1 ZINC000000951177 209283406 /nfs/dbraw/zinc/28/34/06/209283406.db2.gz CMUSTTDSLJAQQZ-NSHDSACASA-N 0 0 376.865 4.673 50 0 GJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cc(C)cc(C)c1 ZINC000000951969 209283167 /nfs/dbraw/zinc/28/31/67/209283167.db2.gz VIUQRWBGXBKEGW-UHFFFAOYSA-N 0 0 378.428 4.559 50 0 GJAARN CCC(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000946455 209282265 /nfs/dbraw/zinc/28/22/65/209282265.db2.gz WBPDTTNFVURJMK-UHFFFAOYSA-N 0 0 389.201 4.663 50 0 GJAARN CCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000000941277 209280906 /nfs/dbraw/zinc/28/09/06/209280906.db2.gz OGJKUIQMUIQGMN-UHFFFAOYSA-N 0 0 375.255 4.647 50 0 GJAARN Cc1cc(Cl)ccc1OC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000000946441 209281689 /nfs/dbraw/zinc/28/16/89/209281689.db2.gz CAEZEQXWMCEPMR-UHFFFAOYSA-N 0 0 393.620 4.737 50 0 GJAARN O=C(CCCC(=O)Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 ZINC000000943151 209281735 /nfs/dbraw/zinc/28/17/35/209281735.db2.gz LMWFQVBAMJVETP-UHFFFAOYSA-N 0 0 396.497 4.654 50 0 GJAARN CCOc1ccc([C@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc1 ZINC000000935560 209280327 /nfs/dbraw/zinc/28/03/27/209280327.db2.gz HXRBLWYZNOTJLB-MRXNPFEDSA-N 0 0 385.876 4.875 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)cs1 ZINC000009643270 209279726 /nfs/dbraw/zinc/27/97/26/209279726.db2.gz KLTFQVRWCXAIJI-UHFFFAOYSA-N 0 0 396.497 4.801 50 0 GJAARN CN(C)C(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@H](C(C)(C)C)CC2 ZINC000000920965 209278587 /nfs/dbraw/zinc/27/85/87/209278587.db2.gz QEJMDZCXXZFBME-OAHLLOKOSA-N 0 0 384.545 4.853 50 0 GJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1C ZINC000009517155 209275651 /nfs/dbraw/zinc/27/56/51/209275651.db2.gz NNOPNTJRZFYJOW-OAQYLSRUSA-N 0 0 378.863 4.532 50 0 GJAARN COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1OC ZINC000000849030 209272457 /nfs/dbraw/zinc/27/24/57/209272457.db2.gz MFHYHSQWDYJGMS-UHFFFAOYSA-N 0 0 387.439 4.808 50 0 GJAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000000831475 209270791 /nfs/dbraw/zinc/27/07/91/209270791.db2.gz KHDNWQCKSRZGQF-LIKPIUCQSA-N 0 0 385.850 4.737 50 0 GJAARN CCSc1nnc2c(n1)O[C@@H](/C(C)=C/c1ccccc1)Nc1ccccc1-2 ZINC000000830670 209270796 /nfs/dbraw/zinc/27/07/96/209270796.db2.gz YWNVGUUTGTWJPW-KQDNUWKFSA-N 0 0 376.485 4.885 50 0 GJAARN CCOc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1 ZINC000000830160 209270850 /nfs/dbraw/zinc/27/08/50/209270850.db2.gz ZDEMCZTUTVIIPI-UHFFFAOYSA-N 0 0 392.846 4.725 50 0 GJAARN CC1=C(C(=O)OC2CCC(C)CC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000832347 209270286 /nfs/dbraw/zinc/27/02/86/209270286.db2.gz TZOHHRITIHXBON-HKWVAONXSA-N 0 0 397.302 4.743 50 0 GJAARN COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1 ZINC000000817615 209269318 /nfs/dbraw/zinc/26/93/18/209269318.db2.gz LSVNRFUPFCESLS-UHFFFAOYSA-N 0 0 394.471 4.526 50 0 GJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000000823519 209269039 /nfs/dbraw/zinc/26/90/39/209269039.db2.gz ISMYAFNGYSXEIB-SFHVURJKSA-N 0 0 376.884 4.624 50 0 GJAARN Cc1ccc(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000000808655 209268565 /nfs/dbraw/zinc/26/85/65/209268565.db2.gz OHONZWIZKDSTOH-QGZVFWFLSA-N 0 0 385.722 4.771 50 0 GJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1cccc(I)c1 ZINC000000809025 209268369 /nfs/dbraw/zinc/26/83/69/209268369.db2.gz VIIBDWLTJXASDC-UHFFFAOYSA-N 0 0 399.231 4.795 50 0 GJAARN COc1ccc(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000000808670 209268097 /nfs/dbraw/zinc/26/80/97/209268097.db2.gz MHKZIXJIHJDFIX-MRXNPFEDSA-N 0 0 387.694 4.542 50 0 GJAARN COc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC ZINC000000807893 209268110 /nfs/dbraw/zinc/26/81/10/209268110.db2.gz BGHCCVVJUFZGCJ-UHFFFAOYSA-N 0 0 398.484 4.705 50 0 GJAARN CC(=O)Nc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000000784496 209265258 /nfs/dbraw/zinc/26/52/58/209265258.db2.gz WHAYSEJQRJMTMG-UHFFFAOYSA-N 0 0 377.425 4.619 50 0 GJAARN CCOC(=O)c1sc2ncnc(Nc3cc(Cl)ccc3OC)c2c1C ZINC000000756822 209263473 /nfs/dbraw/zinc/26/34/73/209263473.db2.gz YCGBQTSFQMMMTP-UHFFFAOYSA-N 0 0 377.853 4.582 50 0 GJAARN O=C(CCC1CCCCC1)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000000692640 209260517 /nfs/dbraw/zinc/26/05/17/209260517.db2.gz CEGFCIPDFHJQGR-UHFFFAOYSA-N 0 0 376.456 4.786 50 0 GJAARN CC(C)NC(=O)[C@@]12CC[C@@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C ZINC000000703814 209260531 /nfs/dbraw/zinc/26/05/31/209260531.db2.gz OXCXQTMZFZLXBR-VQTJNVASSA-N 0 0 392.330 4.790 50 0 GJAARN CCN(CC)C(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000000693887 209260552 /nfs/dbraw/zinc/26/05/52/209260552.db2.gz XWDONJGUHFNUGN-UHFFFAOYSA-N 0 0 399.541 4.509 50 0 GJAARN CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1C ZINC000000706793 209260166 /nfs/dbraw/zinc/26/01/66/209260166.db2.gz AWJZUNQIOCLWSB-UHFFFAOYSA-N 0 0 378.302 4.838 50 0 GJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000688789 209259171 /nfs/dbraw/zinc/25/91/71/209259171.db2.gz GFPGSHJEQJSHAG-UHFFFAOYSA-N 0 0 391.210 4.938 50 0 aggregator GJAARN COc1cc(OC)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000000683171 209259050 /nfs/dbraw/zinc/25/90/50/209259050.db2.gz GYDNTOYYVRDVJP-UHFFFAOYSA-N 0 0 389.757 4.637 50 0 GJAARN CC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)sc2c1 ZINC000000707280 209260402 /nfs/dbraw/zinc/26/04/02/209260402.db2.gz WNLLEMJMHOWBLX-UHFFFAOYSA-N 0 0 399.541 4.911 50 0 GJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)OC)C1 ZINC000000673051 209257971 /nfs/dbraw/zinc/25/79/71/209257971.db2.gz QCVJKZKCIKPGAI-AWEZNQCLSA-N 0 0 386.517 4.723 50 0 GJAARN CC(C)OC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000000648435 209255402 /nfs/dbraw/zinc/25/54/02/209255402.db2.gz XVCPDFYGLBNUAP-UHFFFAOYSA-N 0 0 382.243 4.576 50 0 GJAARN O=C(CSc1ncnc2scc(-c3ccccc3)c21)N1CCCCCC1 ZINC000000630508 209253190 /nfs/dbraw/zinc/25/31/90/209253190.db2.gz WHJMFEULBSMTMV-UHFFFAOYSA-N 0 0 383.542 4.853 50 0 GJAARN Fc1ccc(Cc2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 ZINC000000632813 209252915 /nfs/dbraw/zinc/25/29/15/209252915.db2.gz QODAZDNWGACGRX-UHFFFAOYSA-N 0 0 379.247 4.890 50 0 GJAARN O[C@H](c1nnc(SCc2cccc(F)c2)n1-c1ccccc1)c1ccccc1 ZINC000000643312 209253774 /nfs/dbraw/zinc/25/37/74/209253774.db2.gz YRBBICNLUIYJCA-FQEVSTJZSA-N 0 0 391.471 4.780 50 0 GJAARN COC(=O)c1c(NC(=O)COc2cccc3ccccc32)sc2c1CCCC2 ZINC000000629376 209251827 /nfs/dbraw/zinc/25/18/27/209251827.db2.gz IXAHSPYHPKSSLW-UHFFFAOYSA-N 0 0 395.480 4.584 50 0 GJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(F)c(F)c3)ccc1O2 ZINC000009135393 209249457 /nfs/dbraw/zinc/24/94/57/209249457.db2.gz CSIILKRFPKNKKM-UHFFFAOYSA-N 0 0 394.377 4.908 50 0 GJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc(Cl)cc1 ZINC000009036878 209247085 /nfs/dbraw/zinc/24/70/85/209247085.db2.gz HTVBQICWDCYGML-UHFFFAOYSA-N 0 0 396.899 4.852 50 0 GJAARN Cc1cc(NC(=O)N[C@H](C)C[C@H](O)c2cccs2)ccc1Oc1cccnc1 ZINC000162601328 209246789 /nfs/dbraw/zinc/24/67/89/209246789.db2.gz YMDKCVHAGYWIQU-QAPCUYQASA-N 0 0 397.500 4.878 50 0 GJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)cc1 ZINC000263618983 209227088 /nfs/dbraw/zinc/22/70/88/209227088.db2.gz WJIHBRXEQGIERE-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1nc(-c2ccccc2)c(C(=O)NCCCn2nc(C)c3ccccc32)s1 ZINC000257173523 209223820 /nfs/dbraw/zinc/22/38/20/209223820.db2.gz PQBLGVHPSNYQKG-UHFFFAOYSA-N 0 0 390.512 4.597 50 0 GJAARN Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)c1 ZINC000001839025 212061473 /nfs/dbraw/zinc/06/14/73/212061473.db2.gz HVIJIUKXODBTHF-UHFFFAOYSA-N 0 0 389.451 4.601 50 0 GJAARN CCOc1ccc(-c2csc(CCNC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000001415062 212060755 /nfs/dbraw/zinc/06/07/55/212060755.db2.gz LKSGWFIVNNZFEJ-UHFFFAOYSA-N 0 0 386.904 4.835 50 0 GJAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCCC(=O)C2)cc1 ZINC000299804381 212041520 /nfs/dbraw/zinc/04/15/20/212041520.db2.gz ZBYCIYNNGUEAMV-GGAORHGYSA-N 0 0 376.456 4.951 50 0 GJAARN Cc1nc(-c2cccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)c2)sc1C ZINC000299790649 212039657 /nfs/dbraw/zinc/03/96/57/212039657.db2.gz BDSSVVKKAIBMHN-HXUWFJFHSA-N 0 0 380.513 4.623 50 0 GJAARN COc1cccc([C@H](C)N(C)C(=O)c2cccc(-c3nccn3C(C)C)c2)c1 ZINC000299793703 212039062 /nfs/dbraw/zinc/03/90/62/212039062.db2.gz IGKBKQGYBAHQNV-KRWDZBQOSA-N 0 0 377.488 4.973 50 0 GJAARN Cc1nc(C(=O)N2CCC(n3c4ccc(F)cc4nc3C3CCC3)CC2)cs1 ZINC000299773568 212034823 /nfs/dbraw/zinc/03/48/23/212034823.db2.gz DJWAXVACTKFICP-UHFFFAOYSA-N 0 0 398.507 4.685 50 0 GJAARN FC(F)Oc1cc(Br)cc(Br)c1OC(F)(F)F ZINC000263624917 212031270 /nfs/dbraw/zinc/03/12/70/212031270.db2.gz VDWSFLQCGXRBJN-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN FC(F)Oc1cc(Br)c(Br)cc1OC(F)(F)F ZINC000263622778 212031985 /nfs/dbraw/zinc/03/19/85/212031985.db2.gz AWIIVCPTAKLSLS-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN FC(F)Oc1cc(Br)c(OC(F)(F)F)c(Br)c1 ZINC000263623578 212031632 /nfs/dbraw/zinc/03/16/32/212031632.db2.gz IQYWUDOWHZMNPZ-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000261494237 212029559 /nfs/dbraw/zinc/02/95/59/212029559.db2.gz SLGSVGADOZCXJI-UHFFFAOYSA-N 0 0 393.936 4.872 50 0 GJAARN CCOc1ccc(N2C(=O)c3ccccc3/C(=C\c3cc(C)[nH]c3C)C2=O)cc1 ZINC000035306281 203837056 /nfs/dbraw/zinc/83/70/56/203837056.db2.gz RFWRPWRZEQPPEK-HYARGMPZSA-N 0 0 386.451 4.758 50 0 GJAARN O=C(CCSc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000664380 203846848 /nfs/dbraw/zinc/84/68/48/203846848.db2.gz DMXSDDCBUOGTDB-UHFFFAOYSA-N 0 0 395.355 4.824 50 0 GJAARN CCCc1ccc(OCc2ccc(C(=O)n3cc(Br)cn3)cc2)cc1 ZINC000000659235 203845288 /nfs/dbraw/zinc/84/52/88/203845288.db2.gz TVVBBXIWTHTBNA-UHFFFAOYSA-N 0 0 399.288 4.866 50 0 GJAARN CC[C@H](C(=O)N[C@H]1CCCC[C@H]1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000245258173 203812775 /nfs/dbraw/zinc/81/27/75/203812775.db2.gz MKMXQNVTEXGGJP-XOKHGSTOSA-N 0 0 397.544 4.566 50 0 GJAARN O=C(Nc1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1)N1CCCCCC1 ZINC000096315814 203832725 /nfs/dbraw/zinc/83/27/25/203832725.db2.gz MJHZJYYLFZAYSI-SSZFMOIBSA-N 0 0 399.516 4.507 50 0 GJAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 ZINC000001172626 203892710 /nfs/dbraw/zinc/89/27/10/203892710.db2.gz WAGOIPZKCCKUBO-UHFFFAOYSA-N 0 0 393.493 4.992 50 0 aggregator GJAARN COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC ZINC000000701893 203848746 /nfs/dbraw/zinc/84/87/46/203848746.db2.gz PAOGGZSGIWSFFK-UHFFFAOYSA-N 0 0 379.412 4.757 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001206319 203896601 /nfs/dbraw/zinc/89/66/01/203896601.db2.gz ZHDWQDXRAFMBTE-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN COc1ccc(NC(=O)Nc2nnc(SCc3ccccc3C)s2)cc1 ZINC000009324040 203852699 /nfs/dbraw/zinc/85/26/99/203852699.db2.gz DFOXSMOGLVWNET-UHFFFAOYSA-N 0 0 386.502 4.791 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)C(C)C ZINC000000804889 203854325 /nfs/dbraw/zinc/85/43/25/203854325.db2.gz OIHPEKGZYMNSJC-SFHVURJKSA-N 0 0 389.451 4.884 50 0 GJAARN CCOc1ccc2nc(SCC(=O)Nc3ccccc3OCC)sc2c1 ZINC000000856762 203859646 /nfs/dbraw/zinc/85/96/46/203859646.db2.gz VQRAQWKYSPISTK-UHFFFAOYSA-N 0 0 388.514 4.825 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001059835 203877961 /nfs/dbraw/zinc/87/79/61/203877961.db2.gz WAYRLZCNMBZARQ-UHFFFAOYSA-N 0 0 393.874 4.957 50 0 GJAARN COc1ccc(NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000001108030 203883040 /nfs/dbraw/zinc/88/30/40/203883040.db2.gz LPISDXUMECIXLL-LABNAMAPSA-N 0 0 398.462 4.661 50 0 biogenic GJAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]12 ZINC000001092488 203883047 /nfs/dbraw/zinc/88/30/47/203883047.db2.gz OACNFLTXWBKKIS-ZCOIRKDISA-N 0 0 393.486 4.956 50 0 GJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccccc2)on1 ZINC000001126419 203887062 /nfs/dbraw/zinc/88/70/62/203887062.db2.gz NMOUYCIYEOEMIO-UHFFFAOYSA-N 0 0 390.418 4.595 50 0 GJAARN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(I)cc2)cc1 ZINC000001142032 203888421 /nfs/dbraw/zinc/88/84/21/203888421.db2.gz FMDVDLXUSWFKLI-GFCCVEGCSA-N 0 0 397.281 4.719 50 0 GJAARN O=S(=O)(c1nc(N2CCCc3ccccc32)sc1Cl)c1ccccc1 ZINC000001159939 203891797 /nfs/dbraw/zinc/89/17/97/203891797.db2.gz MWDPBHKACJNKAO-UHFFFAOYSA-N 0 0 390.917 4.714 50 0 GJAARN O[C@H](CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000009968080 203902055 /nfs/dbraw/zinc/90/20/55/203902055.db2.gz XAHQSBAPGTTWEJ-HXUWFJFHSA-N 0 0 391.471 4.899 50 0 GJAARN COc1ccc([C@H]2OCc3ccccc3N2C(=O)c2cccc(OC)c2)cc1 ZINC000001444304 203910761 /nfs/dbraw/zinc/91/07/61/203910761.db2.gz LZLDNORFLSKEBR-HSZRJFAPSA-N 0 0 375.424 4.580 50 0 biogenic GJAARN CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCc1ccccc1 ZINC000001797826 203920207 /nfs/dbraw/zinc/92/02/07/203920207.db2.gz CQHQZUBMDSIDND-UHFFFAOYSA-N 0 0 386.388 4.845 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000002057706 203924926 /nfs/dbraw/zinc/92/49/26/203924926.db2.gz NWFQPWPPOUZDJU-HNNXBMFYSA-N 0 0 394.858 4.998 50 0 GJAARN COc1ccccc1[C@@]1(CCNC(=O)c2cccs2)CCO[C@@H](C(C)C)C1 ZINC000002147282 203928514 /nfs/dbraw/zinc/92/85/14/203928514.db2.gz BBCRVOCQADCCJZ-KNQAVFIVSA-N 0 0 387.545 4.650 50 0 biogenic GJAARN CCOc1ccc(NC(=O)CSc2nc(C)nc3c4ccccc4oc32)cc1 ZINC000002424501 203943702 /nfs/dbraw/zinc/94/37/02/203943702.db2.gz YBDSQNJZTQVNPS-UHFFFAOYSA-N 0 0 393.468 4.814 50 0 GJAARN O=C1N2CCCN2[C@@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1 ZINC000001240452 203898999 /nfs/dbraw/zinc/89/89/99/203898999.db2.gz KIPKGCNYOBOCLJ-MRXNPFEDSA-N 0 0 392.684 4.664 50 0 GJAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000002827620 203965406 /nfs/dbraw/zinc/96/54/06/203965406.db2.gz JLFAQIPOFDETCK-UHFFFAOYSA-N 0 0 375.266 4.830 50 0 GJAARN CCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OC ZINC000002850116 203968224 /nfs/dbraw/zinc/96/82/24/203968224.db2.gz DENMDJPQPLLIHV-BOPFTXTBSA-N 0 0 385.847 4.790 50 0 GJAARN Cc1cc(C)cc(O[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003253458 203992872 /nfs/dbraw/zinc/99/28/72/203992872.db2.gz GVTQQKKIBNHESD-WOJBJXKFSA-N 0 0 393.936 4.625 50 0 GJAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000003280739 203993890 /nfs/dbraw/zinc/99/38/90/203993890.db2.gz UUMUYBJPKJVEON-GFCCVEGCSA-N 0 0 380.271 4.669 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccn2)c2ccccc2)cc1Cl ZINC000003280655 203994673 /nfs/dbraw/zinc/99/46/73/203994673.db2.gz SFVGBEGXGQVFJZ-IBGZPJMESA-N 0 0 380.831 4.580 50 0 GJAARN CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004299706 204037020 /nfs/dbraw/zinc/03/70/20/204037020.db2.gz LGTQIXLILPASPB-RTWAWAEBSA-N 0 0 384.907 4.890 50 0 GJAARN Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000004313946 204037723 /nfs/dbraw/zinc/03/77/23/204037723.db2.gz WMGNYSXPPSPIIS-UHFFFAOYSA-N 0 0 385.707 4.911 50 0 GJAARN CCN(CC)C(=O)Oc1ccc2oc(=O)c(-c3ccc(OC)cc3)c(C)c2c1 ZINC000004340783 204039349 /nfs/dbraw/zinc/03/93/49/204039349.db2.gz LPXTURNGWIGLFR-UHFFFAOYSA-N 0 0 381.428 4.618 50 0 GJAARN CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2ccc(OC)cc2)s1 ZINC000004334321 204039941 /nfs/dbraw/zinc/03/99/41/204039941.db2.gz IAZXMPQWJWNYRY-UHFFFAOYSA-N 0 0 395.480 4.811 50 0 GJAARN O=C(COc1ccccc1Cl)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003343933 204000033 /nfs/dbraw/zinc/00/00/33/204000033.db2.gz ZYEODJWQJVSLPA-UHFFFAOYSA-N 0 0 380.827 4.812 50 0 GJAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000003348540 204000493 /nfs/dbraw/zinc/00/04/93/204000493.db2.gz MZFVLDSHJBUAOT-UHFFFAOYSA-N 0 0 378.457 4.712 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000003346776 204000512 /nfs/dbraw/zinc/00/05/12/204000512.db2.gz PEEGWUVYHSBUCL-QGZVFWFLSA-N 0 0 388.467 4.907 50 0 GJAARN COc1ccc(OCCSc2nnc(-c3ccc(OC)cc3)n2C(C)C)cc1 ZINC000003350606 204000578 /nfs/dbraw/zinc/00/05/78/204000578.db2.gz VDBPUMBZOSNREA-UHFFFAOYSA-N 0 0 399.516 4.714 50 0 GJAARN O=C(CSc1nnc(COc2ccccc2Cl)o1)c1c[nH]c2ccccc21 ZINC000003364667 204001616 /nfs/dbraw/zinc/00/16/16/204001616.db2.gz BACWDUTWEGROGC-UHFFFAOYSA-N 0 0 399.859 4.758 50 0 GJAARN COc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000003361813 204001807 /nfs/dbraw/zinc/00/18/07/204001807.db2.gz QFCJDNUUIYKDOR-UHFFFAOYSA-N 0 0 377.469 4.887 50 0 GJAARN CC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000003369221 204003049 /nfs/dbraw/zinc/00/30/49/204003049.db2.gz KJRTWNOOCXEIFD-UHFFFAOYSA-N 0 0 378.284 4.922 50 0 GJAARN C[C@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000003393350 204003845 /nfs/dbraw/zinc/00/38/45/204003845.db2.gz XSVJQVSGQWZYPA-KRWDZBQOSA-N 0 0 375.424 4.513 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccc(Cl)cc3nc2S[C@@H]2CCCCC2=O)cc1 ZINC000003406650 204003886 /nfs/dbraw/zinc/00/38/86/204003886.db2.gz IADNDEKPJNOYQE-LJQANCHMSA-N 0 0 398.915 4.951 50 0 GJAARN C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003399496 204004009 /nfs/dbraw/zinc/00/40/09/204004009.db2.gz DUDGFGQMHJCPQZ-LBPRGKRZSA-N 0 0 384.482 4.658 50 0 GJAARN CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1cccs1 ZINC000003391680 204004093 /nfs/dbraw/zinc/00/40/93/204004093.db2.gz QYXBZSQNLAINDB-CQSZACIVSA-N 0 0 390.578 4.514 50 0 GJAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000003390830 204004163 /nfs/dbraw/zinc/00/41/63/204004163.db2.gz QGYNYJDZDANNCF-INIZCTEOSA-N 0 0 396.560 4.632 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000003422806 204005184 /nfs/dbraw/zinc/00/51/84/204005184.db2.gz BOXIEPFBKJVZST-HNNXBMFYSA-N 0 0 391.298 4.793 50 0 GJAARN Cc1nc(NC(=O)c2cc3ccccc3o2)sc1Cc1ccc2c(c1)OCO2 ZINC000003419990 204005201 /nfs/dbraw/zinc/00/52/01/204005201.db2.gz VQAPEODFXIIYMQ-UHFFFAOYSA-N 0 0 392.436 4.770 50 0 GJAARN CC(=O)Nc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000003438080 204006409 /nfs/dbraw/zinc/00/64/09/204006409.db2.gz OQCJZTSNBUMNIM-NWDGAFQWSA-N 0 0 395.286 4.597 50 0 GJAARN COc1ccc(C)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000003432829 204006628 /nfs/dbraw/zinc/00/66/28/204006628.db2.gz QINCRHODZSMDLU-HXUWFJFHSA-N 0 0 388.467 4.504 50 0 GJAARN C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000003521880 204011818 /nfs/dbraw/zinc/01/18/18/204011818.db2.gz VEYDIQHMTVOMFQ-AWEZNQCLSA-N 0 0 380.517 4.538 50 0 GJAARN O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NC1CCCC1 ZINC000003565167 204013256 /nfs/dbraw/zinc/01/32/56/204013256.db2.gz VKGMKFQSSJXKKL-UHFFFAOYSA-N 0 0 399.994 4.635 50 0 GJAARN Cc1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1Br ZINC000003562134 204013431 /nfs/dbraw/zinc/01/34/31/204013431.db2.gz UGIHLPATWJGYOD-KRWDZBQOSA-N 0 0 390.277 4.568 50 0 GJAARN COc1ccc(Cc2noc(-c3cc(-c4ccncc4)nc4ccccc43)n2)cc1 ZINC000003583767 204014060 /nfs/dbraw/zinc/01/40/60/204014060.db2.gz PNUAYGJBYKOYQS-UHFFFAOYSA-N 0 0 394.434 4.946 50 0 GJAARN CCOc1cc(C)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1C(C)C ZINC000003667781 204017788 /nfs/dbraw/zinc/01/77/88/204017788.db2.gz NUDKBJJOYJEONI-UYRXBGFRSA-N 0 0 386.561 4.907 50 0 GJAARN COc1ccc(NC(=S)N(Cc2ccc(C)cc2)Cc2cccnc2)cc1 ZINC000003665519 204017969 /nfs/dbraw/zinc/01/79/69/204017969.db2.gz PWQNYLNEXWTXHG-UHFFFAOYSA-N 0 0 377.513 4.798 50 0 GJAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)cc3C)C2=O)c(C)c1 ZINC000004043346 204025134 /nfs/dbraw/zinc/02/51/34/204025134.db2.gz UHPHJJQZTIKPHU-UHFFFAOYSA-N 0 0 375.255 4.701 50 0 GJAARN CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000004078495 204026825 /nfs/dbraw/zinc/02/68/25/204026825.db2.gz KIJBHJXOGXTLGD-KRWDZBQOSA-N 0 0 375.241 4.676 50 0 GJAARN CCCCC/[S@@](C[C@H]1CC1(Cl)Cl)=N\S(=O)(=O)c1ccc(C)cc1 ZINC000004145217 204028684 /nfs/dbraw/zinc/02/86/84/204028684.db2.gz KLCZTZGOIQCPOB-JLCFBVMHSA-N 0 0 396.405 4.870 50 0 GJAARN Cc1ccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 ZINC000004143853 204028689 /nfs/dbraw/zinc/02/86/89/204028689.db2.gz WDRGLBUNVBJZJT-UHFFFAOYSA-N 0 0 393.531 4.998 50 0 GJAARN CCCCc1ccc(NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000004395055 204043084 /nfs/dbraw/zinc/04/30/84/204043084.db2.gz OXINHHYYAMAMBC-UHFFFAOYSA-N 0 0 375.513 4.550 50 0 GJAARN CCOC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 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O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N(Cc1cccs1)C1CC1 ZINC000058005331 205163427 /nfs/dbraw/zinc/16/34/27/205163427.db2.gz WDILEEHCJIKTKI-UHFFFAOYSA-N 0 0 390.814 4.542 50 0 GJAARN Cc1ccc(NC(=S)N2CCCN(Cc3ccccc3F)C2)cc1Cl ZINC000058096179 205164384 /nfs/dbraw/zinc/16/43/84/205164384.db2.gz XQRKCVMCDGCXEE-UHFFFAOYSA-N 0 0 377.916 4.650 50 0 GJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1sc(N2CCCC2)nc1Cl ZINC000058099831 205164889 /nfs/dbraw/zinc/16/48/89/205164889.db2.gz LMOOWEPMIOWDBJ-UHFFFAOYSA-N 0 0 391.802 4.548 50 0 GJAARN CCCOc1c(Cl)cc(C(=O)NCc2cnc3ccccc3c2)cc1OC ZINC000058160925 205165437 /nfs/dbraw/zinc/16/54/37/205165437.db2.gz BAKUSDQCKLEGMU-UHFFFAOYSA-N 0 0 384.863 4.616 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1S[C@@H](C)C(=O)OC ZINC000058198216 205169589 /nfs/dbraw/zinc/16/95/89/205169589.db2.gz OLUHXYWHQKDLCB-LBPRGKRZSA-N 0 0 397.949 4.717 50 0 GJAARN O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(-c2ccco2)nc2ccccc21 ZINC000058244783 205169792 /nfs/dbraw/zinc/16/97/92/205169792.db2.gz NOOQJQVFZHXGGS-UHFFFAOYSA-N 0 0 389.436 4.723 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000059746071 205179626 /nfs/dbraw/zinc/17/96/26/205179626.db2.gz IVLXMXYEEYVLET-FUHWJXTLSA-N 0 0 382.479 4.830 50 0 GJAARN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000059743532 205180056 /nfs/dbraw/zinc/18/00/56/205180056.db2.gz NBMIUIVVLSVUKR-LBPRGKRZSA-N 0 0 397.418 4.920 50 0 GJAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccc(C(F)(F)F)c1 ZINC000060062859 205180079 /nfs/dbraw/zinc/18/00/79/205180079.db2.gz RMHIIAIEHNBBJQ-INIZCTEOSA-N 0 0 375.350 4.686 50 0 GJAARN Cc1c(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000060319086 205180396 /nfs/dbraw/zinc/18/03/96/205180396.db2.gz LSIYYANNNIHSDI-UHFFFAOYSA-N 0 0 391.450 4.578 50 0 GJAARN FC(F)(F)c1ccc(Cl)c(-c2nn3c(nnc3-c3ccccn3)s2)c1 ZINC000061721524 205182758 /nfs/dbraw/zinc/18/27/58/205182758.db2.gz WPCVIDBEUPGKGV-UHFFFAOYSA-N 0 0 381.770 4.587 50 0 GJAARN CC(C)CCC[C@H](C)NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000061721006 205183061 /nfs/dbraw/zinc/18/30/61/205183061.db2.gz KZRHTEGJCHXUCF-HDYDNRTBSA-N 0 0 397.563 4.534 50 0 GJAARN Cc1cc2oc(=O)cc(COc3cc(Cl)ccc3C(N)=O)c2cc1C(C)C ZINC000062696245 205185310 /nfs/dbraw/zinc/18/53/10/205185310.db2.gz RNGOYUAOWCWFEP-UHFFFAOYSA-N 0 0 385.847 4.556 50 0 GJAARN CCCOc1ccc(-c2cccc(NC(=O)Nc3ccc(F)cc3F)c2)nn1 ZINC000065185875 205216826 /nfs/dbraw/zinc/21/68/26/205216826.db2.gz SESOALUVNVYIGL-UHFFFAOYSA-N 0 0 384.386 4.855 50 0 GJAARN Cc1ccc(Cn2c3cc(C(=O)Nc4cc(C)ccc4C)ccc3oc2=O)cc1 ZINC000064894490 205200870 /nfs/dbraw/zinc/20/08/70/205200870.db2.gz DDESGKUBCZKDBK-UHFFFAOYSA-N 0 0 386.451 4.820 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1F ZINC000065031481 205206839 /nfs/dbraw/zinc/20/68/39/205206839.db2.gz BFHOBYMJMWZGKA-UHFFFAOYSA-N 0 0 387.414 4.762 50 0 GJAARN Cc1ccccc1Cn1nnc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc21 ZINC000065030301 205206854 /nfs/dbraw/zinc/20/68/54/205206854.db2.gz MYQRXAKJAUOSKJ-QFIPXVFZSA-N 0 0 396.494 4.595 50 0 GJAARN Cc1ccc(-c2ccnc3c(C(=O)NC[C@@H](C)c4ccccc4)cnn32)cc1C ZINC000065026641 205207097 /nfs/dbraw/zinc/20/70/97/205207097.db2.gz GFNWLMQVBCSQQW-GOSISDBHSA-N 0 0 384.483 4.547 50 0 GJAARN O=C(NCc1ccccc1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025636 205207358 /nfs/dbraw/zinc/20/73/58/205207358.db2.gz ZWSXSFXYAJPDAS-UHFFFAOYSA-N 0 0 394.478 4.686 50 0 GJAARN O=C(Nc1ccc(C2(C(=O)NCc3ccc(F)cc3)CCCCC2)cc1)C1CC1 ZINC000065027472 205207620 /nfs/dbraw/zinc/20/76/20/205207620.db2.gz BNQREDPYFSQXHL-UHFFFAOYSA-N 0 0 394.490 4.693 50 0 GJAARN COc1ccc(Oc2ncc(-c3cccc(C(=O)NC4CCCC4)c3)cn2)cc1 ZINC000065057918 205209074 /nfs/dbraw/zinc/20/90/74/205209074.db2.gz SFWHTWGZDNWYDN-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000065085224 205210168 /nfs/dbraw/zinc/21/01/68/205210168.db2.gz BTZGFALZDOUNDI-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN CCC(=O)NCc1ccc(-c2noc(Cc3c(Cl)cccc3Cl)n2)s1 ZINC000065096993 205210359 /nfs/dbraw/zinc/21/03/59/205210359.db2.gz XXMWRVNMQPQRLU-UHFFFAOYSA-N 0 0 396.299 4.722 50 0 GJAARN CCc1ccc(NC(=O)CSc2nccnc2Oc2ccc(C)cc2)cc1 ZINC000065102747 205210908 /nfs/dbraw/zinc/21/09/08/205210908.db2.gz ZYVUTRBIKDMFRB-UHFFFAOYSA-N 0 0 379.485 4.871 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(NCCCc4ccccc4)nc3)n2)cc1 ZINC000065097833 205211147 /nfs/dbraw/zinc/21/11/47/205211147.db2.gz PTWXAMZCUNHSSJ-UHFFFAOYSA-N 0 0 386.455 4.852 50 0 GJAARN COc1cc(Cc2nc(-c3cccc(-c4csc(C)n4)c3)no2)cc(OC)c1 ZINC000065098168 205211225 /nfs/dbraw/zinc/21/12/25/205211225.db2.gz WSEQLWIFXWRFTH-UHFFFAOYSA-N 0 0 393.468 4.777 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3C)C2)cc1 ZINC000065136258 205211773 /nfs/dbraw/zinc/21/17/73/205211773.db2.gz OOKAQTMRRQPCSZ-HXUWFJFHSA-N 0 0 393.531 4.644 50 0 GJAARN O=C(c1c(F)cccc1F)N1CCC[C@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135646 205211790 /nfs/dbraw/zinc/21/17/90/205211790.db2.gz YJPPRDHOFQZAKL-HNNXBMFYSA-N 0 0 397.400 4.581 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)c1 ZINC000065135383 205212044 /nfs/dbraw/zinc/21/20/44/205212044.db2.gz PZLAKCKRORMNSW-KRWDZBQOSA-N 0 0 393.437 4.750 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](c2ccnc(Nc3ccccc3)n2)C1 ZINC000065147843 205213249 /nfs/dbraw/zinc/21/32/49/205213249.db2.gz KXOMEIHFIRPVSB-MRXNPFEDSA-N 0 0 394.425 4.518 50 0 GJAARN CCn1cc2c3c1cccc3CN(C(=O)Nc1ccc(OC)c(Cl)c1)CC2 ZINC000065149012 205213515 /nfs/dbraw/zinc/21/35/15/205213515.db2.gz JVNHFQHHFHYYJM-UHFFFAOYSA-N 0 0 383.879 4.913 50 0 GJAARN CCCn1cc(CCNC(=O)Nc2ccc(C(F)(F)F)cc2)c2cccnc21 ZINC000065156569 205214119 /nfs/dbraw/zinc/21/41/19/205214119.db2.gz NIARJTNTPITBSY-UHFFFAOYSA-N 0 0 390.409 4.829 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153686 205214507 /nfs/dbraw/zinc/21/45/07/205214507.db2.gz QLDBNKCIDDTMKF-UHFFFAOYSA-N 0 0 388.377 4.736 50 0 GJAARN Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3)c(-c3ccncc3)n2)cc1 ZINC000065153895 205214899 /nfs/dbraw/zinc/21/48/99/205214899.db2.gz ZPZQMJAYESQPCN-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN O=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168604 205215056 /nfs/dbraw/zinc/21/50/56/205215056.db2.gz WTWGUKBAMCBCCF-UHFFFAOYSA-N 0 0 390.295 4.710 50 0 GJAARN CC[C@@H](C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1)c1ccccc1 ZINC000065178413 205215578 /nfs/dbraw/zinc/21/55/78/205215578.db2.gz WRCFMQRXYYLGHI-OAQYLSRUSA-N 0 0 389.499 4.712 50 0 GJAARN CNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(C)cc3C)n2)cc1Cl ZINC000063938903 205188789 /nfs/dbraw/zinc/18/87/89/205188789.db2.gz NDHAGKIFBMVTRB-UHFFFAOYSA-N 0 0 399.903 4.692 50 0 GJAARN CCc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000064471695 205190822 /nfs/dbraw/zinc/19/08/22/205190822.db2.gz LYBRFNRNTVGMRZ-UHFFFAOYSA-N 0 0 395.503 4.869 50 0 GJAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1C ZINC000064471754 205190967 /nfs/dbraw/zinc/19/09/67/205190967.db2.gz UTLPKQAEWSZNOO-UHFFFAOYSA-N 0 0 377.513 4.784 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)n2)cc1 ZINC000064580025 205191724 /nfs/dbraw/zinc/19/17/24/205191724.db2.gz FLHWWTZJDATXOI-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN O=C(NCCn1c(CCc2ccccc2)nc2ccccc21)C1CCCCC1 ZINC000064661369 205192296 /nfs/dbraw/zinc/19/22/96/205192296.db2.gz NVIAWVOHZGRCAW-UHFFFAOYSA-N 0 0 375.516 4.518 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)Cc3cccs3)CC1)N2 ZINC000064659571 205192956 /nfs/dbraw/zinc/19/29/56/205192956.db2.gz FMJLPZMBRDZYDA-UHFFFAOYSA-N 0 0 391.540 4.642 50 0 biogenic GJAARN COc1ccc(-c2ccnn2-c2ccc(SCc3ccccc3F)nn2)cc1 ZINC000064755461 205193990 /nfs/dbraw/zinc/19/39/90/205193990.db2.gz VYGYZBLLSNIJAP-UHFFFAOYSA-N 0 0 392.459 4.769 50 0 GJAARN Cc1ccc(F)cc1NC(=O)c1cccc(CN(C)[C@H](C)c2ccccn2)c1 ZINC000065424393 205234687 /nfs/dbraw/zinc/23/46/87/205234687.db2.gz KYMSZNHYFRGPGW-QGZVFWFLSA-N 0 0 377.463 4.974 50 0 GJAARN O=C(CCc1ccc(Br)cc1F)Oc1ccc(-c2ncc[nH]2)cc1 ZINC000065585057 205237226 /nfs/dbraw/zinc/23/72/26/205237226.db2.gz MMGIQZFDVGBGER-UHFFFAOYSA-N 0 0 389.224 4.517 50 0 GJAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000067257580 205242852 /nfs/dbraw/zinc/24/28/52/205242852.db2.gz LQAJIAKVCXHJLC-UHFFFAOYSA-N 0 0 399.903 4.845 50 0 GJAARN Cc1cc(SCC(=O)NCCC2=CCCCC2)nc(-c2cccc(F)c2)n1 ZINC000067257303 205242860 /nfs/dbraw/zinc/24/28/60/205242860.db2.gz IMYLVCATSFEVBS-UHFFFAOYSA-N 0 0 385.508 4.690 50 0 GJAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1cc(C)ccc1C ZINC000067259154 205243745 /nfs/dbraw/zinc/24/37/45/205243745.db2.gz UPAPDEPPZQSTLK-UHFFFAOYSA-N 0 0 382.529 4.732 50 0 GJAARN CSc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288234 205243884 /nfs/dbraw/zinc/24/38/84/205243884.db2.gz VIUSOUNMKGGBSX-UHFFFAOYSA-N 0 0 395.503 4.944 50 0 GJAARN CCOc1ccccc1CNc1nc2c(-c3ccccc3)nnn2c2ccccc21 ZINC000067262177 205244151 /nfs/dbraw/zinc/24/41/51/205244151.db2.gz BJJFIAHMCICZBI-UHFFFAOYSA-N 0 0 395.466 4.955 50 0 GJAARN Cc1cc(C)cc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 ZINC000067296006 205244991 /nfs/dbraw/zinc/24/49/91/205244991.db2.gz QEJFXOITHBIXCP-ATJXCDBQSA-N 0 0 375.453 4.991 50 0 GJAARN Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)Nc1cccc(Cl)c1 ZINC000065194922 205217305 /nfs/dbraw/zinc/21/73/05/205217305.db2.gz CFFVQDYSKUMPFE-UHFFFAOYSA-N 0 0 396.834 4.707 50 0 GJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1cccc(Cl)c1 ZINC000065194762 205217448 /nfs/dbraw/zinc/21/74/48/205217448.db2.gz YEVQJBNEAYXBCT-UHFFFAOYSA-N 0 0 384.867 4.715 50 0 GJAARN O=C(Cc1ccsc1)Nc1ccsc1-c1nc(-c2cccc(F)c2)no1 ZINC000065219304 205219340 /nfs/dbraw/zinc/21/93/40/205219340.db2.gz JSZCAZKJSSNXHW-UHFFFAOYSA-N 0 0 385.445 4.847 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)Nc3cccc(OC)c3)s2)c2cccnc21 ZINC000065240877 205221319 /nfs/dbraw/zinc/22/13/19/205221319.db2.gz GZIBSDUROXJJDG-UHFFFAOYSA-N 0 0 392.484 4.749 50 0 GJAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CCC[C@@H](C)C1 ZINC000065240964 205221349 /nfs/dbraw/zinc/22/13/49/205221349.db2.gz XKUGCEXLUGDBQG-CQSZACIVSA-N 0 0 382.533 4.921 50 0 GJAARN Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000067643583 205252254 /nfs/dbraw/zinc/25/22/54/205252254.db2.gz OIRJZVGXEZSWGN-HSZRJFAPSA-N 0 0 384.483 4.698 50 0 GJAARN COc1cc(Oc2ccc3c(c2)OCCO3)cc(Cl)c1CN1CCCC1 ZINC000067833703 205262102 /nfs/dbraw/zinc/26/21/02/205262102.db2.gz HSDXKAJAGDLGBJ-UHFFFAOYSA-N 0 0 375.852 4.508 50 0 GJAARN O=C(CCSc1ccccc1)NCc1ccc(C(=O)c2cccs2)s1 ZINC000090610575 205274687 /nfs/dbraw/zinc/27/46/87/205274687.db2.gz RWAXCTNPSICCKJ-UHFFFAOYSA-N 0 0 387.551 4.839 50 0 GJAARN CC(C)c1nc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)no1 ZINC000067948044 205267716 /nfs/dbraw/zinc/26/77/16/205267716.db2.gz NGNNJIHLTFSAFF-UHFFFAOYSA-N 0 0 385.851 4.618 50 0 GJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@@H]1CC=CCC1 ZINC000069240120 205272562 /nfs/dbraw/zinc/27/25/62/205272562.db2.gz STKZSCPWSGKGPY-RBUKOAKNSA-N 0 0 391.515 4.998 50 0 GJAARN Cc1nc(-c2cccs2)sc1CNC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000090592692 205273428 /nfs/dbraw/zinc/27/34/28/205273428.db2.gz VAHYTOYUHRXQOH-GFCCVEGCSA-N 0 0 392.933 4.917 50 0 GJAARN Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298029 205246136 /nfs/dbraw/zinc/24/61/36/205246136.db2.gz HXTZCTWEWQIWND-ATJXCDBQSA-N 0 0 391.452 4.696 50 0 GJAARN O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071763262 205295790 /nfs/dbraw/zinc/29/57/90/205295790.db2.gz DFKZXERZWGHROQ-HNNXBMFYSA-N 0 0 377.406 4.896 50 0 GJAARN CC(C)(NC(=O)c1ccccc1)C1CCC(C)(NC(=O)c2ccccc2)CC1 ZINC000071770301 205296650 /nfs/dbraw/zinc/29/66/50/205296650.db2.gz LECHGPIPIWUFSA-UHFFFAOYSA-N 0 0 378.516 4.574 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000072117869 205304188 /nfs/dbraw/zinc/30/41/88/205304188.db2.gz VMWNHSVLNOKBBC-UHFFFAOYSA-N 0 0 380.427 4.744 50 0 GJAARN CC(C)c1cc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c2ccccc2n1 ZINC000069950998 205278638 /nfs/dbraw/zinc/27/86/38/205278638.db2.gz RWHHKDPEPSHEKO-UHFFFAOYSA-N 0 0 397.478 4.821 50 0 GJAARN O=C(c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCCC1 ZINC000070021486 205278755 /nfs/dbraw/zinc/27/87/55/205278755.db2.gz WVEURVJAQSHVFB-UHFFFAOYSA-N 0 0 396.288 4.538 50 0 GJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(C)noc1C ZINC000071195094 205278922 /nfs/dbraw/zinc/27/89/22/205278922.db2.gz KCBDBAIABYYNON-UHFFFAOYSA-N 0 0 384.457 4.757 50 0 GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000072329024 205326822 /nfs/dbraw/zinc/32/68/22/205326822.db2.gz LZSRTSWUHQCTRT-MRXNPFEDSA-N 0 0 393.487 4.755 50 0 GJAARN CCOc1ccc(-c2nc(CC(=O)N[C@@](C)(C3CC3)C(F)(F)F)cs2)cc1 ZINC000072307905 205321705 /nfs/dbraw/zinc/32/17/05/205321705.db2.gz IQBQKUJPZCNWEY-SFHVURJKSA-N 0 0 398.450 4.599 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 ZINC000072400342 205342871 /nfs/dbraw/zinc/34/28/71/205342871.db2.gz HEXKIWIYMPTMJN-YJBOKZPZSA-N 0 0 397.544 4.823 50 0 GJAARN Cc1cc(C(=O)Nc2nn(-c3ccc(F)cc3)c3cccc(OC(C)C)c23)no1 ZINC000072408056 205346407 /nfs/dbraw/zinc/34/64/07/205346407.db2.gz DSHBPLNVYWEQOW-UHFFFAOYSA-N 0 0 394.406 4.501 50 0 GJAARN COc1ccc(-c2cc(NCc3ccc(Br)cc3F)no2)cc1 ZINC000072427591 205348218 /nfs/dbraw/zinc/34/82/18/205348218.db2.gz DQRJZDRCNLCCNP-UHFFFAOYSA-N 0 0 377.213 4.864 50 0 GJAARN Cc1cc(-n2ccnc2[C@@H]2CCOC(C)(C)C2)ccc1NC(=O)c1ccco1 ZINC000077519925 205365639 /nfs/dbraw/zinc/36/56/39/205365639.db2.gz SNJWDGDJKLQRML-MRXNPFEDSA-N 0 0 379.460 4.699 50 0 GJAARN COCc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000025092828 211800564 /nfs/dbraw/zinc/80/05/64/211800564.db2.gz LRYWHKFWNQBNMT-UHFFFAOYSA-N 0 0 375.428 4.729 50 0 GJAARN Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(C[S@](C)=O)c3)c2c1 ZINC000078974397 205376916 /nfs/dbraw/zinc/37/69/16/205376916.db2.gz RGRVAOLUBALUKP-HHHXNRCGSA-N 0 0 378.497 4.551 50 0 GJAARN Cc1nccn1-c1ccc([C@H](C)Nc2nc(-c3ccncc3)nc3c2CCC3)cc1 ZINC000079046620 205378366 /nfs/dbraw/zinc/37/83/66/205378366.db2.gz SITUIGCYIGMDCH-INIZCTEOSA-N 0 0 396.498 4.695 50 0 GJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC3(CCCCC3)CC2)c(O)c1 ZINC000084240802 205392419 /nfs/dbraw/zinc/39/24/19/205392419.db2.gz OYZDQYYCUUJBPO-UHFFFAOYSA-N 0 0 388.508 4.926 50 0 GJAARN COc1cccc(CN(C)C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c1 ZINC000084169946 205392926 /nfs/dbraw/zinc/39/29/26/205392926.db2.gz ZTGNBNBBUWDQOR-UHFFFAOYSA-N 0 0 393.487 4.606 50 0 GJAARN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N(C)Cc1ccsc1 ZINC000089547853 205405881 /nfs/dbraw/zinc/40/58/81/205405881.db2.gz VQMVPFKZIWSADC-UHFFFAOYSA-N 0 0 379.407 4.738 50 0 GJAARN O=C(/C=C/c1cccc2cccnc12)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000024746288 211794562 /nfs/dbraw/zinc/79/45/62/211794562.db2.gz NBRQDQZXQDSGNK-ZHACJKMWSA-N 0 0 382.467 4.531 50 0 GJAARN CC(C)c1sc(Br)nc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000095474670 205465379 /nfs/dbraw/zinc/46/53/79/205465379.db2.gz DVTCPCMPFCRYSL-UHFFFAOYSA-N 0 0 386.340 4.617 50 0 GJAARN CCc1nc(C)ncc1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000095960220 205510309 /nfs/dbraw/zinc/51/03/09/205510309.db2.gz LBLBRDABISQMOR-UHFFFAOYSA-N 0 0 392.406 4.742 50 0 GJAARN O=C(C[C@@H](CCc1ccccc1)c1c[nH]c2ccc(Cl)cc21)N1CCOCC1 ZINC000096278885 205555709 /nfs/dbraw/zinc/55/57/09/205555709.db2.gz MUHMAGWBQCCDIG-GOSISDBHSA-N 0 0 396.918 4.787 50 0 GJAARN O=C(Nc1nnc(SCc2cc(F)cc(F)c2)s1)c1ccc(F)cc1 ZINC000096280168 205555929 /nfs/dbraw/zinc/55/59/29/205555929.db2.gz SXOLHEORMHNPGJ-UHFFFAOYSA-N 0 0 381.404 4.500 50 0 GJAARN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000097212380 205587057 /nfs/dbraw/zinc/58/70/57/205587057.db2.gz RHSCKMQKTDWJCS-IUODEOHRSA-N 0 0 379.382 4.550 50 0 GJAARN COc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(OC)c1 ZINC000098073344 205601254 /nfs/dbraw/zinc/60/12/54/205601254.db2.gz MUHUZUQBXHNDTP-INIZCTEOSA-N 0 0 389.451 4.677 50 0 GJAARN CCN(C(=O)Cn1cccc1-c1nc(-c2ccccc2)no1)c1cccc(C)c1 ZINC000098211309 205602685 /nfs/dbraw/zinc/60/26/85/205602685.db2.gz JTNGCSOUQJWQGD-UHFFFAOYSA-N 0 0 386.455 4.567 50 0 GJAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000102047756 205629504 /nfs/dbraw/zinc/62/95/04/205629504.db2.gz NIXRZWOALYYKFV-GOSISDBHSA-N 0 0 381.277 4.659 50 0 GJAARN CC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 ZINC000102725351 205634521 /nfs/dbraw/zinc/63/45/21/205634521.db2.gz FMZIZDZGXVNYHC-UHFFFAOYSA-N 0 0 375.453 4.779 50 0 GJAARN Cc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1C ZINC000107100875 205657136 /nfs/dbraw/zinc/65/71/36/205657136.db2.gz HFPLUHDGIHNFIX-UHFFFAOYSA-N 0 0 394.784 4.809 50 0 GJAARN CCCOc1ccc([C@H](C)NC(=O)CCc2c[nH]c3ccccc23)cc1OC ZINC000048333755 205665132 /nfs/dbraw/zinc/66/51/32/205665132.db2.gz KCDNLIDKTSPIOV-INIZCTEOSA-N 0 0 380.488 4.775 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COCc2ccccc2)C1 ZINC000049031507 205668890 /nfs/dbraw/zinc/66/88/90/205668890.db2.gz WVWNIUKZTIYDAF-QGZVFWFLSA-N 0 0 377.406 4.774 50 0 GJAARN Cc1ccc2nc(NC(=O)CSc3nccn3-c3ccccc3)sc2c1 ZINC000002722999 205720522 /nfs/dbraw/zinc/72/05/22/205720522.db2.gz HYIKIABJHVOXSI-UHFFFAOYSA-N 0 0 380.498 4.521 50 0 GJAARN CCN(C(=O)COC(=O)c1sc2ccccc2c1Cl)C1CCCCC1 ZINC000003235834 205723430 /nfs/dbraw/zinc/72/34/30/205723430.db2.gz XCOACXFFNAXOBA-UHFFFAOYSA-N 0 0 379.909 4.893 50 0 GJAARN COc1ccccc1C(=O)N[C@@H](Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000003014734 205723780 /nfs/dbraw/zinc/72/37/80/205723780.db2.gz VYBIOICNNGVIIQ-MRXNPFEDSA-N 0 0 387.694 4.542 50 0 GJAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(F)c(F)c1 ZINC000004341927 205746242 /nfs/dbraw/zinc/74/62/42/205746242.db2.gz XZWRFQAXUOFAOF-UHFFFAOYSA-N 0 0 391.830 4.803 50 0 GJAARN Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc32)c2ccccc2n1 ZINC000004766408 205752104 /nfs/dbraw/zinc/75/21/04/205752104.db2.gz XPMKULQKLVIMGY-INIZCTEOSA-N 0 0 384.435 4.880 50 0 GJAARN CCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000007610083 205784274 /nfs/dbraw/zinc/78/42/74/205784274.db2.gz QEMAHWQPLUNGHS-UHFFFAOYSA-N 0 0 378.266 4.726 50 0 GJAARN C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000006013209 205774620 /nfs/dbraw/zinc/77/46/20/205774620.db2.gz GNMUJZSOSKMJJY-ZELAZJAISA-N 0 0 385.463 4.537 50 0 GJAARN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(F)cc1C(F)(F)F ZINC000158432535 205803901 /nfs/dbraw/zinc/80/39/01/205803901.db2.gz BUWVRVQIOGOOKP-UHFFFAOYSA-N 0 0 383.732 4.936 50 0 GJAARN N=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005176128 205818056 /nfs/dbraw/zinc/81/80/56/205818056.db2.gz XHWYSFAENWTFOE-AWEZNQCLSA-N 0 0 395.709 4.728 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1Cl ZINC000006128863 205819909 /nfs/dbraw/zinc/81/99/09/205819909.db2.gz LAMUUWAEYVPYIS-UHFFFAOYSA-N 0 0 398.919 4.837 50 0 GJAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSc1ccccc1 ZINC000007759463 205790936 /nfs/dbraw/zinc/79/09/36/205790936.db2.gz VPQRTJOFEIKPQT-UHFFFAOYSA-N 0 0 387.892 4.531 50 0 GJAARN CCCCN(C(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O)c1ccccc1 ZINC000007989623 205793202 /nfs/dbraw/zinc/79/32/02/205793202.db2.gz JZSQUNXPHJHLHV-UHFFFAOYSA-N 0 0 395.890 4.641 50 0 GJAARN COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc(Cl)c1OC ZINC000012875642 205880679 /nfs/dbraw/zinc/88/06/79/205880679.db2.gz RJYXRNONRGTZBR-KRWDZBQOSA-N 0 0 380.271 4.892 50 0 GJAARN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016780746 205906556 /nfs/dbraw/zinc/90/65/56/205906556.db2.gz MZBVIHQENTZHAL-TVQRCGJNSA-N 0 0 389.361 4.581 50 0 GJAARN Cc1cc2c(c(=O)o1)C(c1ccc(Cl)c(Cl)c1)c1c(cc(C)oc1=O)O2 ZINC000016756456 205906921 /nfs/dbraw/zinc/90/69/21/205906921.db2.gz OHSBZQYNKDTERO-UHFFFAOYSA-N 0 0 391.206 4.803 50 0 GJAARN Cc1c2cccc(F)c2[nH]c1C(=O)N(C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000215754364 205930245 /nfs/dbraw/zinc/93/02/45/205930245.db2.gz HWZHIZJKFOEZRB-AWEZNQCLSA-N 0 0 376.435 4.839 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2)c(Cl)c1 ZINC000022942695 205966153 /nfs/dbraw/zinc/96/61/53/205966153.db2.gz VWCFWTFIHCGISG-CQSZACIVSA-N 0 0 386.908 4.657 50 0 GJAARN Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)Nc1cccc(F)c1 ZINC000028305349 206042298 /nfs/dbraw/zinc/04/22/98/206042298.db2.gz WREPQMZSZWHZRK-UHFFFAOYSA-N 0 0 390.365 4.598 50 0 GJAARN Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)C2=O)c(Br)c1 ZINC000014737509 211706901 /nfs/dbraw/zinc/70/69/01/211706901.db2.gz NDIWTOYWPAACKZ-UHFFFAOYSA-N 0 0 395.256 4.510 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(OCc2ccccc2)c1 ZINC000014386087 211705447 /nfs/dbraw/zinc/70/54/47/211705447.db2.gz DTICUAZWBJUHAD-UHFFFAOYSA-N 0 0 375.424 4.679 50 0 GJAARN O=C(NCc1ccc(F)cc1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000208047382 211702553 /nfs/dbraw/zinc/70/25/53/211702553.db2.gz DIZBCXIKCSHKPZ-SFHVURJKSA-N 0 0 378.900 4.869 50 0 GJAARN CCOCc1ccccc1CNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000030179325 206071174 /nfs/dbraw/zinc/07/11/74/206071174.db2.gz QQOOEOQPFQYXAB-UHFFFAOYSA-N 0 0 397.478 4.763 50 0 GJAARN O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000225619392 206060054 /nfs/dbraw/zinc/06/00/54/206060054.db2.gz NEJLHUJFQDGOCR-HXUWFJFHSA-N 0 0 393.314 4.605 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CNc1ccccc1N1CCCCCC1 ZINC000029400029 206060347 /nfs/dbraw/zinc/06/03/47/206060347.db2.gz SFWWQEWLNXFKFJ-UHFFFAOYSA-N 0 0 387.911 4.780 50 0 GJAARN O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccc(-c2cccs2)cc1 ZINC000225620352 206061119 /nfs/dbraw/zinc/06/11/19/206061119.db2.gz PGNBDYTXAUOAFR-NRFANRHFSA-N 0 0 378.497 4.708 50 0 GJAARN O=C(NCc1ccnc(-c2ccco2)c1)NC(c1ccccc1)c1ccccc1 ZINC000225657774 206064840 /nfs/dbraw/zinc/06/48/40/206064840.db2.gz OHFYSTCWVPVSQL-UHFFFAOYSA-N 0 0 383.451 4.930 50 0 GJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)Nc4cccs4)c3)cn2n1 ZINC000013711576 211700200 /nfs/dbraw/zinc/70/02/00/211700200.db2.gz NWVISGQWOZZNBS-UHFFFAOYSA-N 0 0 399.863 4.764 50 0 GJAARN CC[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(C)on1 ZINC000031423926 206086828 /nfs/dbraw/zinc/08/68/28/206086828.db2.gz CRSROYGYGGSWHD-OAHLLOKOSA-N 0 0 391.880 4.942 50 0 GJAARN O=C1NC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)S1 ZINC000033293977 206096484 /nfs/dbraw/zinc/09/64/84/206096484.db2.gz RPHITZWRJMOWKO-CHHVJCJISA-N 0 0 380.252 4.896 50 0 GJAARN O=C(/C=C\c1cccs1)Nc1cccc(NC(=O)/C=C\c2cccs2)n1 ZINC000033335405 206098457 /nfs/dbraw/zinc/09/84/57/206098457.db2.gz JWYIVJUJWDLXNP-WGEIWTTOSA-N 0 0 381.482 4.508 50 0 GJAARN N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1 ZINC000033616469 206098925 /nfs/dbraw/zinc/09/89/25/206098925.db2.gz PWHSITCITDTFFJ-OVCLIPMQSA-N 0 0 379.268 4.711 50 0 GJAARN COc1cccc(NC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)c1 ZINC000033334068 206099025 /nfs/dbraw/zinc/09/90/25/206099025.db2.gz GZDUAASQCNIRKM-LYZDIDCBSA-N 0 0 398.462 4.661 50 0 GJAARN Cc1ccc(-n2cccc2/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000033768045 206100490 /nfs/dbraw/zinc/10/04/90/206100490.db2.gz QLRYSESRNSHABV-UYRXBGFRSA-N 0 0 391.858 4.845 50 0 GJAARN CC(C)N(Cc1ccccc1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000059855501 206101599 /nfs/dbraw/zinc/10/15/99/206101599.db2.gz CKZNUSROXFQCDH-SFHVURJKSA-N 0 0 388.920 4.580 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccs3)C[C@@H]21 ZINC000227487110 206101975 /nfs/dbraw/zinc/10/19/75/206101975.db2.gz MIFOYGKZZZWSPE-UWJYYQICSA-N 0 0 377.469 4.784 50 0 GJAARN Cc1cn2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1 ZINC000058406504 206102129 /nfs/dbraw/zinc/10/21/29/206102129.db2.gz NPUUFIYCFFHRLF-UHFFFAOYSA-N 0 0 387.283 4.933 50 0 GJAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN([C@@H]1CCCc2ccccc21)CO3 ZINC000061997634 206104225 /nfs/dbraw/zinc/10/42/25/206104225.db2.gz ZLCWWBDENHTLHN-OAQYLSRUSA-N 0 0 375.468 4.948 50 0 biogenic GJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cccc(Cl)c5)n3n2)CCC4)cc1 ZINC000064450022 206105692 /nfs/dbraw/zinc/10/56/92/206105692.db2.gz ACXVMCJPHHPLDR-UHFFFAOYSA-N 0 0 389.890 4.909 50 0 GJAARN Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)s1 ZINC000229748096 206107983 /nfs/dbraw/zinc/10/79/83/206107983.db2.gz URJJBNCNHPYTJK-ZOBUZTSGSA-N 0 0 387.549 4.895 50 0 GJAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)c1ccc(F)cc1 ZINC000013070488 211696847 /nfs/dbraw/zinc/69/68/47/211696847.db2.gz WHRURDKPFGGIRA-MQVJKMGUSA-N 0 0 394.533 4.554 50 0 GJAARN Cc1cccc(OCCOC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c1 ZINC000032936268 206093958 /nfs/dbraw/zinc/09/39/58/206093958.db2.gz WNOPTZVZIDFWRD-JLHYYAGUSA-N 0 0 389.451 4.604 50 0 GJAARN COc1ccccc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 ZINC000032958141 206094055 /nfs/dbraw/zinc/09/40/55/206094055.db2.gz QOMKWUVYCBBHAH-UHFFFAOYSA-N 0 0 390.464 4.989 50 0 GJAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C)o1)c1ccccc1 ZINC000032950434 206094447 /nfs/dbraw/zinc/09/44/47/206094447.db2.gz RDUDEZGLDUCIFB-FQEVSTJZSA-N 0 0 379.412 4.524 50 0 GJAARN O=C(CCc1ccccc1Br)N(CCc1cccs1)C1CC1 ZINC000096120309 206118898 /nfs/dbraw/zinc/11/88/98/206118898.db2.gz QAHHAYLFIRCNLG-UHFFFAOYSA-N 0 0 378.335 4.677 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)N(CCc1cccs1)Cc1ccco1 ZINC000096120273 206119627 /nfs/dbraw/zinc/11/96/27/206119627.db2.gz ZDKJQWIRHILTHQ-UHFFFAOYSA-N 0 0 377.868 4.948 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1 ZINC000096184224 206120473 /nfs/dbraw/zinc/12/04/73/206120473.db2.gz JDGDKQICSYGYPT-UHFFFAOYSA-N 0 0 375.380 4.583 50 0 GJAARN CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OCC(C)C ZINC000097987508 206124474 /nfs/dbraw/zinc/12/44/74/206124474.db2.gz UGGDNOSQAWCIIJ-XDHOZWIPSA-N 0 0 379.456 4.773 50 0 GJAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000238950657 206125116 /nfs/dbraw/zinc/12/51/16/206125116.db2.gz ZGDZDAPCWHIIKB-VLPUJBPJSA-N 0 0 394.555 5.824 50 0 biogenic GJAARN COc1ccc(OC)c(NC(=O)CSCc2cccc(C(F)(F)F)c2)c1 ZINC000012930884 211692552 /nfs/dbraw/zinc/69/25/52/211692552.db2.gz MCDOGIBQCAUUAH-UHFFFAOYSA-N 0 0 385.407 4.595 50 0 GJAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000252549679 206143986 /nfs/dbraw/zinc/14/39/86/206143986.db2.gz RRLBDVIERVZFEX-YLJYHZDGSA-N 0 0 388.511 4.542 50 0 GJAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253612310 206148873 /nfs/dbraw/zinc/14/88/73/206148873.db2.gz HZUUHCXBSGFHDC-GVFSAQFSSA-N 0 0 376.537 4.750 50 0 GJAARN COC(=O)[C@H](C)Oc1ccc(-c2ncc3c(Cl)cc(C(F)(F)F)cn32)cc1 ZINC000261495047 206184582 /nfs/dbraw/zinc/18/45/82/206184582.db2.gz XLFBAKSRRSJFMT-JTQLQIEISA-N 0 0 398.768 4.614 50 0 GJAARN COc1ccc(F)c(F)c1C(=O)N1CCC(Sc2ccc(C)cc2)CC1 ZINC000299797211 206191769 /nfs/dbraw/zinc/19/17/69/206191769.db2.gz QDCVPFSFZZPDHY-UHFFFAOYSA-N 0 0 377.456 4.679 50 0 GJAARN Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)ccc1Cl ZINC000011361068 211673285 /nfs/dbraw/zinc/67/32/85/211673285.db2.gz RMSFMYVCUPKVHJ-UHFFFAOYSA-N 0 0 384.819 4.511 50 0 GJAARN O=CNc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000001405091 206212012 /nfs/dbraw/zinc/21/20/12/206212012.db2.gz OKAHLXXVRXGIKH-UHFFFAOYSA-N 0 0 380.860 4.885 50 0 GJAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)NCCc1c[nH]c2ccccc12 ZINC000005274900 206215728 /nfs/dbraw/zinc/21/57/28/206215728.db2.gz NKDIEMIXKGAOSX-UHFFFAOYSA-N 0 0 388.467 4.531 50 0 GJAARN CC(C)(C)C(=O)N1CCC(Nc2cc(Cl)ccc2OCC2CCC2)CC1 ZINC000170604722 211660250 /nfs/dbraw/zinc/66/02/50/211660250.db2.gz RLHLXWZJXZCPQN-UHFFFAOYSA-N 0 0 378.944 4.968 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1OCC ZINC000006309191 211625311 /nfs/dbraw/zinc/62/53/11/211625311.db2.gz RDDMMQQDUXGFFQ-ZDUSSCGKSA-N 0 0 392.293 4.738 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)OCC(=O)c2cccc3ccccc32)cc1 ZINC000007783973 211589765 /nfs/dbraw/zinc/58/97/65/211589765.db2.gz IHWUXEGGWKZNRR-UHFFFAOYSA-N 0 0 376.452 4.942 50 0 GJAARN CCOc1c(Br)cc(C(=O)Nc2cc(F)ccc2C)cc1OC ZINC000005688180 211570549 /nfs/dbraw/zinc/57/05/49/211570549.db2.gz SCDFJGCDARLWRB-UHFFFAOYSA-N 0 0 382.229 4.556 50 0 GJAARN C=C=Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000005234772 211564971 /nfs/dbraw/zinc/56/49/71/211564971.db2.gz LMRWWLQQWMPCML-CQSZACIVSA-N 0 0 383.373 4.831 50 0 GJAARN c1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCO4)cc1 ZINC000002689420 211516442 /nfs/dbraw/zinc/51/64/42/211516442.db2.gz UNHUDDKGVIEPRP-UHFFFAOYSA-N 0 0 379.419 4.980 50 0 GJAARN Cc1cc(Br)c(NC(=S)NC(=O)C=Cc2ccccc2)cc1C ZINC000001123052 211502467 /nfs/dbraw/zinc/50/24/67/211502467.db2.gz VCWBSEYZIWINRG-CMDGGOBGSA-N 0 0 389.318 4.592 50 0 GJAARN CC[C@@H](C)OC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000000938348 211499349 /nfs/dbraw/zinc/49/93/49/211499349.db2.gz VSPOVRYYQOPEBM-LLVKDONJSA-N 0 0 376.478 4.931 50 0 GJAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1[C@@H](c2ccccc2)CCC[C@@H]1C ZINC000107075820 211443921 /nfs/dbraw/zinc/44/39/21/211443921.db2.gz KDIWGMNOUXGBKU-GLYQVZKVSA-N 0 0 390.527 4.665 50 0 GJAARN CCc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)cc1 ZINC000101946511 211406536 /nfs/dbraw/zinc/40/65/36/211406536.db2.gz BBDVCKHRKHDRBR-IBGZPJMESA-N 0 0 389.499 4.724 50 0 GJAARN Cn1cc(NC(=O)/C=C\c2ccc(-c3cccc(Br)c3)s2)cn1 ZINC000098054715 211378610 /nfs/dbraw/zinc/37/86/10/211378610.db2.gz CPOPOHVRLVEYBG-VURMDHGXSA-N 0 0 388.290 4.563 50 0 GJAARN COc1cccc(CN(C)N2c3ccccc3[C@H](c3ccccc3)C2=O)c1Cl ZINC000101173593 211396069 /nfs/dbraw/zinc/39/60/69/211396069.db2.gz YXAMKLSSJRYFIA-NRFANRHFSA-N 0 0 392.886 4.874 50 0 GJAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1cccs1 ZINC000100998301 211393919 /nfs/dbraw/zinc/39/39/19/211393919.db2.gz AXZDFUDYASGPCU-SFHVURJKSA-N 0 0 399.479 4.648 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3C(C)C)cc1OC ZINC000100731163 211390104 /nfs/dbraw/zinc/39/01/04/211390104.db2.gz ISHNYCZNSRAUQS-DYESRHJHSA-N 0 0 386.879 4.883 50 0 GJAARN Cc1[nH]c2cc(-c3ccc(Br)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000100522455 211385844 /nfs/dbraw/zinc/38/58/44/211385844.db2.gz KTSOGWMJTXZAFQ-UHFFFAOYSA-N 0 0 394.272 4.764 50 0 GJAARN CCOc1cccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c1 ZINC000097152215 211361140 /nfs/dbraw/zinc/36/11/40/211361140.db2.gz QFVFSIQCXGNHBY-GXDHUFHOSA-N 0 0 386.373 4.758 50 0 GJAARN Cc1ccc(NC(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1C ZINC000096997246 211354809 /nfs/dbraw/zinc/35/48/09/211354809.db2.gz NRSCARCITOQFNS-IBGZPJMESA-N 0 0 396.537 4.539 50 0 GJAARN C[C@@H](NC(=O)/C=C\c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1 ZINC000096924567 211352875 /nfs/dbraw/zinc/35/28/75/211352875.db2.gz LXELVVQKPNZMEQ-LJQBUTKESA-N 0 0 397.478 4.804 50 0 GJAARN C[C@H]1c2ccsc2CCN1C(=O)/C=C\c1cc(Cl)c2c(c1)OCCCO2 ZINC000096920682 211351529 /nfs/dbraw/zinc/35/15/29/211351529.db2.gz VWPHZHIECYLMEU-SCOBNMCVSA-N 0 0 389.904 4.722 50 0 GJAARN O=C(/C=C\c1ccc2c(c1)OCO2)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000096879330 211349236 /nfs/dbraw/zinc/34/92/36/211349236.db2.gz PBYRYXARCVUFOL-NDOHBSCOSA-N 0 0 381.428 4.535 50 0 GJAARN O=C(OC/C=C\c1ccccc1)c1cccc(C(=O)OC/C=C\c2ccccc2)n1 ZINC000096504077 211343608 /nfs/dbraw/zinc/34/36/08/211343608.db2.gz VBCDDAIYVZPEJW-SFGFDRCGSA-N 0 0 399.446 4.822 50 0 GJAARN O=S(=O)(/C=C\c1ccccc1)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000097117889 211358688 /nfs/dbraw/zinc/35/86/88/211358688.db2.gz QUKHGDJYMGIMRC-QZJMSCLXSA-N 0 0 397.471 4.536 50 0 GJAARN COc1ccc(-c2cnoc2-c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000096336898 211335756 /nfs/dbraw/zinc/33/57/56/211335756.db2.gz SSBYLHXGHZVURW-UHFFFAOYSA-N 0 0 390.233 4.797 50 0 GJAARN Cc1ccc(CNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000096323657 211334888 /nfs/dbraw/zinc/33/48/88/211334888.db2.gz YSKBYASSPAYOIY-UHFFFAOYSA-N 0 0 375.403 4.949 50 0 GJAARN CCCCN(CCc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1 ZINC000096293657 211331981 /nfs/dbraw/zinc/33/19/81/211331981.db2.gz HETHKIJPDFBERB-UHFFFAOYSA-N 0 0 377.488 4.541 50 0 GJAARN Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 ZINC000096294798 211332019 /nfs/dbraw/zinc/33/20/19/211332019.db2.gz GYGGYXABODDHHR-UHFFFAOYSA-N 0 0 375.453 4.811 50 0 GJAARN Cn1cc([C@@H](CC(=O)NCc2ccco2)c2ccc(Cl)nc2)c2ccccc21 ZINC000096292464 211331609 /nfs/dbraw/zinc/33/16/09/211331609.db2.gz PUABRABWXDIUFX-SFHVURJKSA-N 0 0 393.874 4.658 50 0 GJAARN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)NC2CC2)c1 ZINC000096294276 211331351 /nfs/dbraw/zinc/33/13/51/211331351.db2.gz DLKNNPSSUKZMNU-UHFFFAOYSA-N 0 0 388.298 4.521 50 0 GJAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)C3CCCC3)C2)cc1 ZINC000096279731 211330347 /nfs/dbraw/zinc/33/03/47/211330347.db2.gz NUMUAEFFYBKYBB-QFIPXVFZSA-N 0 0 394.490 4.846 50 0 GJAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000096278711 211329994 /nfs/dbraw/zinc/32/99/94/211329994.db2.gz VYDCRULILYYFGG-GFCCVEGCSA-N 0 0 375.350 4.555 50 0 GJAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(C)cc3)no2)CC(C)C)cc1 ZINC000096277536 211330009 /nfs/dbraw/zinc/33/00/09/211330009.db2.gz KPJWGHUSLSDBLI-UHFFFAOYSA-N 0 0 377.488 4.694 50 0 GJAARN Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)CC(C)(C)C)n2)cc1 ZINC000096278960 211329743 /nfs/dbraw/zinc/32/97/43/211329743.db2.gz UPNKDIVHXWKROC-UHFFFAOYSA-N 0 0 381.476 4.646 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096278325 211329548 /nfs/dbraw/zinc/32/95/48/211329548.db2.gz HJPVJDVSFBREDY-UTKZUKDTSA-N 0 0 377.488 4.881 50 0 GJAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2ccc3ccccc3c2)C1=O ZINC000096281388 211329395 /nfs/dbraw/zinc/32/93/95/211329395.db2.gz HXUVBYPLVZJBAD-LJQANCHMSA-N 0 0 398.384 4.850 50 0 GJAARN CCCc1nn(-c2ccc(Cl)cc2)c(CCC)c1C(=O)NCc1ccco1 ZINC000096206133 211317704 /nfs/dbraw/zinc/31/77/04/211317704.db2.gz NNVNXHXEDABIDK-UHFFFAOYSA-N 0 0 385.895 4.954 50 0 GJAARN CC(C)c1sc(Cl)nc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000096222964 211319668 /nfs/dbraw/zinc/31/96/68/211319668.db2.gz VLHMIPHLRLGLJO-ZDUSSCGKSA-N 0 0 376.913 4.923 50 0 GJAARN CC(C)c1sc(Cl)nc1C(=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000096118684 211302159 /nfs/dbraw/zinc/30/21/59/211302159.db2.gz JIENGGJWCBZLPS-UHFFFAOYSA-N 0 0 390.940 4.939 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccccc2)cc1OCC ZINC000096011667 211294979 /nfs/dbraw/zinc/29/49/79/211294979.db2.gz JSGLBIJRAOCXIP-HNNXBMFYSA-N 0 0 394.471 4.938 50 0 GJAARN CCC(=O)NCc1ccccc1-c1cccc(OC)c1C(=O)N(C(C)C)C(C)C ZINC000096136092 211306589 /nfs/dbraw/zinc/30/65/89/211306589.db2.gz DNZYFYXWKKHMMA-UHFFFAOYSA-N 0 0 396.531 4.647 50 0 GJAARN CCn1ncc(C(=O)Nc2ccc(Sc3cccs3)cn2)c1C(F)(F)F ZINC000095962150 211289281 /nfs/dbraw/zinc/28/92/81/211289281.db2.gz XYFMVSLEPVWNJG-UHFFFAOYSA-N 0 0 398.435 4.782 50 0 GJAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c(F)c1 ZINC000095963913 211289071 /nfs/dbraw/zinc/28/90/71/211289071.db2.gz KYWCTAVVYURKDW-UHFFFAOYSA-N 0 0 392.459 4.910 50 0 GJAARN COc1cc(F)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC ZINC000095965849 211289017 /nfs/dbraw/zinc/28/90/17/211289017.db2.gz NSMICUBATXNIHP-UHFFFAOYSA-N 0 0 390.411 4.666 50 0 GJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1csc(Cc2ccccc2F)n1 ZINC000095960138 211288104 /nfs/dbraw/zinc/28/81/04/211288104.db2.gz HUBZSBMCQNTBLZ-UHFFFAOYSA-N 0 0 396.472 4.644 50 0 GJAARN Cc1ccc(C(C)(C)C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1 ZINC000095957436 211287975 /nfs/dbraw/zinc/28/79/75/211287975.db2.gz PFRPGVNDARSQPS-UHFFFAOYSA-N 0 0 391.471 4.751 50 0 GJAARN COc1ccc2[nH]cc(C3=CCN([C@H](C)c4nnc(CC(C)C)o4)CC3)c2c1 ZINC000095957532 211287438 /nfs/dbraw/zinc/28/74/38/211287438.db2.gz PVEDVDJVBOHKCY-OAHLLOKOSA-N 0 0 380.492 4.608 50 0 GJAARN CC(=O)c1ccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000095956696 211286956 /nfs/dbraw/zinc/28/69/56/211286956.db2.gz KMNZIRJXXUKEOV-UHFFFAOYSA-N 0 0 375.472 4.933 50 0 GJAARN O=C(Nc1cccc(Cl)c1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000095951165 211286237 /nfs/dbraw/zinc/28/62/37/211286237.db2.gz UHEQIPXULUPPOP-UHFFFAOYSA-N 0 0 385.704 4.800 50 0 GJAARN Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2)c1 ZINC000095395342 211238582 /nfs/dbraw/zinc/23/85/82/211238582.db2.gz SPNJPDZAEBHWEJ-KRWDZBQOSA-N 0 0 376.460 4.922 50 0 GJAARN C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000095482959 211249766 /nfs/dbraw/zinc/24/97/66/211249766.db2.gz ZSQMNTJOBANTQJ-OAHLLOKOSA-N 0 0 392.421 4.562 50 0 GJAARN COc1ccc2c(c1)c(C(=O)Nc1cc(OC)c(OC)c(OC)c1)cn2C(C)C ZINC000095475112 211247771 /nfs/dbraw/zinc/24/77/71/211247771.db2.gz GEGSKBMGYZRWJF-UHFFFAOYSA-N 0 0 398.459 4.509 50 0 GJAARN O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1cccc(O)c1)SCC(=O)N2 ZINC000095476244 211247099 /nfs/dbraw/zinc/24/70/99/211247099.db2.gz VAAZGZCKLZSIDI-SFHVURJKSA-N 0 0 387.505 4.592 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@@H](c2ccc(OC(C)C)cc2)S1 ZINC000095475587 211246569 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Cc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 ZINC000035398513 210682983 /nfs/dbraw/zinc/68/29/83/210682983.db2.gz DMFBISGKBIRVMO-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3ccccc3)c(OC)c2)n1 ZINC000034712300 210664517 /nfs/dbraw/zinc/66/45/17/210664517.db2.gz AIJMEIFQSDLVOA-UHFFFAOYSA-N 0 0 396.512 4.880 50 0 GJAARN Cc1ccc(CNC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccnc2)cc1 ZINC000033267732 210633891 /nfs/dbraw/zinc/63/38/91/210633891.db2.gz WKWHCPSTCRCPCQ-OAQYLSRUSA-N 0 0 384.483 4.503 50 0 GJAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3cccc(Cl)c3)C2)s1 ZINC000033299541 210639578 /nfs/dbraw/zinc/63/95/78/210639578.db2.gz IHUDKBBGBDXFAN-MRXNPFEDSA-N 0 0 399.947 4.791 50 0 GJAARN Cc1cc(C(=O)NCc2ccc(Cl)cc2)c2cc(Br)ccc2n1 ZINC000032961440 210609900 /nfs/dbraw/zinc/60/99/00/210609900.db2.gz VXEJRLIORLIDLS-UHFFFAOYSA-N 0 0 389.680 4.889 50 0 GJAARN O=S(=O)(c1ccc2nc(NC3CCCCCC3)ccc2c1)N1CCCCC1 ZINC000032943544 210606840 /nfs/dbraw/zinc/60/68/40/210606840.db2.gz 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210472650 /nfs/dbraw/zinc/47/26/50/210472650.db2.gz VZULHOAHLVNLNS-HXUWFJFHSA-N 0 0 377.469 4.686 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1C ZINC000024785110 210471452 /nfs/dbraw/zinc/47/14/52/210471452.db2.gz UKJMCQPUCABTLV-UHFFFAOYSA-N 0 0 379.485 4.699 50 0 GJAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCc1ccc(F)cc1F ZINC000023320973 210440971 /nfs/dbraw/zinc/44/09/71/210440971.db2.gz DGTHNIXMFDIAHV-UHFFFAOYSA-N 0 0 396.315 4.877 50 0 GJAARN CCc1ccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)[nH]2)cc1 ZINC000023851094 210453942 /nfs/dbraw/zinc/45/39/42/210453942.db2.gz YGNQRRDVTHIZOJ-UHFFFAOYSA-N 0 0 395.557 4.869 50 0 GJAARN Cc1ccc(-n2ccnc(SCc3ccc(F)cc3Cl)c2=O)cc1F ZINC000022796070 210426291 /nfs/dbraw/zinc/42/62/91/210426291.db2.gz LRFBNGPSXDSNAA-UHFFFAOYSA-N 0 0 378.831 4.765 50 0 GJAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1 ZINC000021892254 210398862 /nfs/dbraw/zinc/39/88/62/210398862.db2.gz DBFNTOCJQWAMBP-QFIPXVFZSA-N 0 0 375.472 4.511 50 0 GJAARN COc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000021788022 210393467 /nfs/dbraw/zinc/39/34/67/210393467.db2.gz ZCWSZHNJQQNGQZ-LJQANCHMSA-N 0 0 399.903 4.617 50 0 GJAARN COc1ccccc1-n1c(C)c(C)c2c3nc(-c4cccc(C)c4)nn3cnc21 ZINC000021801220 210393433 /nfs/dbraw/zinc/39/34/33/210393433.db2.gz BUHQFRMBSSPDLE-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN Cc1ccc(NC(=O)c2cccn3c(-c4ccc(F)cc4)nnc23)c(Cl)c1 ZINC000021723712 210391340 /nfs/dbraw/zinc/39/13/40/210391340.db2.gz UQQVYKGEEVAUEL-UHFFFAOYSA-N 0 0 380.810 4.750 50 0 GJAARN CCCc1cc([C@H]2CCCN2Cc2cc(Br)ccc2OC)no1 ZINC000021720141 210390834 /nfs/dbraw/zinc/39/08/34/210390834.db2.gz XPXVLDGCRYUMRG-QGZVFWFLSA-N 0 0 379.298 4.735 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(F)c(F)c1)CC(=O)N2 ZINC000021661094 210389701 /nfs/dbraw/zinc/38/97/01/210389701.db2.gz DIOHSEZYZNTHQM-LBPRGKRZSA-N 0 0 396.422 4.543 50 0 GJAARN COc1ccccc1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000021715406 210389250 /nfs/dbraw/zinc/38/92/50/210389250.db2.gz RSYIXDOLMRNHDZ-DEOSSOPVSA-N 0 0 382.463 4.964 50 0 GJAARN Cc1cc(F)ccc1NC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538846 210385772 /nfs/dbraw/zinc/38/57/72/210385772.db2.gz AWGKROZFQSUJLX-UHFFFAOYSA-N 0 0 396.491 4.508 50 0 GJAARN O=C(CCn1c2ccccc2c2c1CCCC2)N1CCC(c2ccncc2)CC1 ZINC000021115052 210378955 /nfs/dbraw/zinc/37/89/55/210378955.db2.gz BJICGZJXHBWBTL-UHFFFAOYSA-N 0 0 387.527 4.711 50 0 GJAARN CCOc1ccc(CNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1 ZINC000021162202 210378678 /nfs/dbraw/zinc/37/86/78/210378678.db2.gz XLSVPJOFJLJZRJ-UHFFFAOYSA-N 0 0 395.528 4.615 50 0 GJAARN CCC[C@H]1c2cccn2CCN1C(=O)Nc1ccc(Br)c(C)c1 ZINC000021051290 210377370 /nfs/dbraw/zinc/37/73/70/210377370.db2.gz QIEXBLJVCBRETO-KRWDZBQOSA-N 0 0 376.298 4.948 50 0 GJAARN COc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2)cc1 ZINC000021102330 210377274 /nfs/dbraw/zinc/37/72/74/210377274.db2.gz UHDIMMGPQNQMHH-UHFFFAOYSA-N 0 0 375.453 4.862 50 0 GJAARN Cc1ccc(-c2nnc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2C)cc1 ZINC000021099049 210376755 /nfs/dbraw/zinc/37/67/55/210376755.db2.gz JWPPXGSJVBGKNR-UHFFFAOYSA-N 0 0 396.903 4.578 50 0 GJAARN CCN1CCc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)sc2C1 ZINC000021295529 210379852 /nfs/dbraw/zinc/37/98/52/210379852.db2.gz UHDLHNIUMXFSFG-UHFFFAOYSA-N 0 0 387.505 4.641 50 0 GJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(O)c2)c(C)n1 ZINC000020995546 210372137 /nfs/dbraw/zinc/37/21/37/210372137.db2.gz QDTMIVJKAAYICR-XMMPIXPASA-N 0 0 386.499 4.546 50 0 GJAARN O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccccc1F ZINC000020936817 210371510 /nfs/dbraw/zinc/37/15/10/210371510.db2.gz ZPBONRSNFHOFIT-UHFFFAOYSA-N 0 0 383.426 4.539 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(-c3nc(-c4ccccc4C)no3)c2)cc1 ZINC000020900001 210367390 /nfs/dbraw/zinc/36/73/90/210367390.db2.gz HHLPIAMJOQKZEV-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(C)c1)SCC(=O)N2 ZINC000020891755 210367185 /nfs/dbraw/zinc/36/71/85/210367185.db2.gz LWIBGCXMOHZETP-LJQANCHMSA-N 0 0 383.904 4.917 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000020892129 210366108 /nfs/dbraw/zinc/36/61/08/210366108.db2.gz OIAVHDFHBCJKSO-GOSISDBHSA-N 0 0 387.867 4.748 50 0 GJAARN CCCOc1ccccc1-c1nc(SCC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000020807999 210363304 /nfs/dbraw/zinc/36/33/04/210363304.db2.gz UEJWJWBJXXSWRE-UHFFFAOYSA-N 0 0 387.892 4.889 50 0 GJAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)nn1C1CCCC1 ZINC000020608210 210351895 /nfs/dbraw/zinc/35/18/95/210351895.db2.gz LAFCQBIEWNQSJY-UHFFFAOYSA-N 0 0 397.426 4.526 50 0 GJAARN COc1cccc(C(=O)[C@@H]2CCCN(Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000020601043 210350272 /nfs/dbraw/zinc/35/02/72/210350272.db2.gz JCQYJVFHGAYNMY-LJQANCHMSA-N 0 0 392.524 4.914 50 0 GJAARN COc1ccccc1-c1cccc(C(=O)Nc2ccccc2N2CCOC2=O)c1 ZINC000020600011 210349757 /nfs/dbraw/zinc/34/97/57/210349757.db2.gz FKKPSGITFRCSRE-UHFFFAOYSA-N 0 0 388.423 4.571 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000020559359 210348150 /nfs/dbraw/zinc/34/81/50/210348150.db2.gz QPIWIICPEXTNRD-UHFFFAOYSA-N 0 0 396.372 4.934 50 0 GJAARN C[C@@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCCCCC1 ZINC000020685045 210355667 /nfs/dbraw/zinc/35/56/67/210355667.db2.gz LTRVTBLLPCQGMZ-VOQZNFBZSA-N 0 0 382.548 4.991 50 0 GJAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc2c(s1)n(C)nc2C(F)(F)F ZINC000020616143 210354407 /nfs/dbraw/zinc/35/44/07/210354407.db2.gz NHMBUYBPRZMCDE-UHFFFAOYSA-N 0 0 379.407 4.555 50 0 GJAARN Cc1ccc(Cl)cc1N(C)C(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000020485036 210339548 /nfs/dbraw/zinc/33/95/48/210339548.db2.gz HBJVMIMJLSODKM-UHFFFAOYSA-N 0 0 383.904 4.931 50 0 GJAARN CN(c1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 ZINC000020464597 210337859 /nfs/dbraw/zinc/33/78/59/210337859.db2.gz TYDIZOFTEOHUOJ-UHFFFAOYSA-N 0 0 399.442 4.970 50 0 GJAARN COc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1Cl ZINC000020319267 210326413 /nfs/dbraw/zinc/32/64/13/210326413.db2.gz BXCXGMDPNGAKIH-GOSISDBHSA-N 0 0 385.876 4.572 50 0 GJAARN Nc1cc(C(F)(F)F)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020246672 210324360 /nfs/dbraw/zinc/32/43/60/210324360.db2.gz XIQLRNWPEGTPPT-UHFFFAOYSA-N 0 0 398.738 4.879 50 0 GJAARN O=c1oc2c(cc(Cl)c3c2CN(CCc2ccccc2)CO3)c2c1CCCC2 ZINC000020412247 210331035 /nfs/dbraw/zinc/33/10/35/210331035.db2.gz HGJMXFXZNFYKAM-UHFFFAOYSA-N 0 0 395.886 4.720 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000020103059 210316680 /nfs/dbraw/zinc/31/66/80/210316680.db2.gz WYABAZBYMHPXAE-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN Cc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)CCCC2)cc1 ZINC000020096590 210316111 /nfs/dbraw/zinc/31/61/11/210316111.db2.gz CTUWBABYGOLPBW-UHFFFAOYSA-N 0 0 398.934 4.936 50 0 GJAARN CCc1nc2ccccc2n1CC(=O)OCc1cc2ccccc2nc1Cl ZINC000020084845 210314429 /nfs/dbraw/zinc/31/44/29/210314429.db2.gz CEHHVFJKOVSAMA-UHFFFAOYSA-N 0 0 379.847 4.544 50 0 GJAARN CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 ZINC000020023870 210312378 /nfs/dbraw/zinc/31/23/78/210312378.db2.gz DXXGLYBROFCCPZ-UHFFFAOYSA-N 0 0 399.585 4.636 50 0 GJAARN Cc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5Cl)nn43)[nH]n2)cc1 ZINC000019827214 210300972 /nfs/dbraw/zinc/30/09/72/210300972.db2.gz AUAHMJAKWPVCMI-UHFFFAOYSA-N 0 0 392.875 4.872 50 0 GJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019831768 210300491 /nfs/dbraw/zinc/30/04/91/210300491.db2.gz BCOYYRUUZJGMCF-UHFFFAOYSA-N 0 0 390.914 4.965 50 0 GJAARN Cc1ccccc1-c1nn2c(nnc2-c2cc(-c3ccc(Cl)cc3)n[nH]2)s1 ZINC000019827383 210300305 /nfs/dbraw/zinc/30/03/05/210300305.db2.gz ONLNNICIKRAREW-UHFFFAOYSA-N 0 0 392.875 4.872 50 0 GJAARN O=C(OC[C@@H]1CCCO1)c1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000019907252 210307720 /nfs/dbraw/zinc/30/77/20/210307720.db2.gz XTMIUOGJLUVNSR-INIZCTEOSA-N 0 0 381.255 4.908 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1Cl ZINC000019908500 210307309 /nfs/dbraw/zinc/30/73/09/210307309.db2.gz ZCPKVCGYNMWJTE-UHFFFAOYSA-N 0 0 398.821 4.992 50 0 GJAARN Clc1ccc2[nH]c([C@H]3CCCN3Cc3nc(-c4cccs4)no3)nc2c1 ZINC000019731135 210290519 /nfs/dbraw/zinc/29/05/19/210290519.db2.gz SYQIDGKWJYOPDJ-CQSZACIVSA-N 0 0 385.880 4.665 50 0 GJAARN Nc1c(Br)cc2oc(-c3ccccc3F)nc2c1Br ZINC000001295675 220483792 /nfs/dbraw/zinc/48/37/92/220483792.db2.gz CYHWYNYSVIMTFV-UHFFFAOYSA-N 0 0 386.018 4.741 50 0 GJAARN COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 ZINC000005077589 220827456 /nfs/dbraw/zinc/82/74/56/220827456.db2.gz LVNTZPYCZLBKLT-UHFFFAOYSA-N 0 0 393.512 4.507 50 0 GJAARN CCc1ccc2nc(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)sc2c1 ZINC000006497008 220937355 /nfs/dbraw/zinc/93/73/55/220937355.db2.gz XRDZMVLDKRVSBF-UHFFFAOYSA-N 0 0 395.513 4.521 50 0 GJAARN C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1F ZINC000006612041 220945097 /nfs/dbraw/zinc/94/50/97/220945097.db2.gz IZDNQFNJFJMHHC-AWEZNQCLSA-N 0 0 391.398 4.634 50 0 GJAARN O=C(COc1ccc(-n2ccnc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006619431 220945719 /nfs/dbraw/zinc/94/57/19/220945719.db2.gz BEBHAHPJDFEVOO-UHFFFAOYSA-N 0 0 396.661 4.850 50 0 GJAARN CC(C)[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2ccccc2[nH]1 ZINC000007987690 221020091 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Cc1nn(S(=O)(=O)c2ccc(C)cc2)c(C)c1Sc1ccc(Cl)cc1 ZINC000000639195 570213293 /nfs/dbraw/zinc/21/32/93/570213293.db2.gz UJCPQNBTUDSUTK-UHFFFAOYSA-N 0 0 392.933 4.850 50 0 GJAARN Cc1ccc(-c2csc3ncn(CC(=O)OC4CCCCC4)c(=O)c23)cc1C ZINC000000645439 570213906 /nfs/dbraw/zinc/21/39/06/570213906.db2.gz KVKMMGAKYMJFBP-UHFFFAOYSA-N 0 0 396.512 4.618 50 0 GJAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)ccc1OCc1ccccc1 ZINC000000647269 570214017 /nfs/dbraw/zinc/21/40/17/570214017.db2.gz OUCNKFMDOIPVTJ-SFQUDFHCSA-N 0 0 391.448 4.680 50 0 GJAARN COc1ccc(Oc2ccc(NC(=O)N(C)CCC[C@H]3CCCO3)cc2)cc1 ZINC000096163019 570217291 /nfs/dbraw/zinc/21/72/91/570217291.db2.gz SVFRWONEJHVKRB-IBGZPJMESA-N 0 0 384.476 4.910 50 0 GJAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000689022 570218307 /nfs/dbraw/zinc/21/83/07/570218307.db2.gz HATTWJLHUIGQHO-UHFFFAOYSA-N 0 0 396.446 4.869 50 0 GJAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1C ZINC000000714088 570219729 /nfs/dbraw/zinc/21/97/29/570219729.db2.gz RYONNDPMDXKLEE-PGAZUGQPSA-N 0 0 393.486 4.874 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 ZINC000000722515 570220390 /nfs/dbraw/zinc/22/03/90/570220390.db2.gz HZPLRGPGTAQQKT-UHFFFAOYSA-N 0 0 399.244 4.855 50 0 GJAARN O=C1C[C@@H](c2ccc(I)cc2)c2ccc3ccccc3c2N1 ZINC000000728202 570221428 /nfs/dbraw/zinc/22/14/28/570221428.db2.gz KZCYLCQHPYCJIY-KRWDZBQOSA-N 0 0 399.231 4.919 50 0 GJAARN COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2nccs2)cc1 ZINC000015728935 570221486 /nfs/dbraw/zinc/22/14/86/570221486.db2.gz AFVRTQAACWMGSB-UHFFFAOYSA-N 0 0 380.425 4.826 50 0 GJAARN CCn1c(COc2cccc3cccnc32)nnc1SCCc1ccccc1 ZINC000000730206 570221681 /nfs/dbraw/zinc/22/16/81/570221681.db2.gz TXOBIAUKPYUSKR-UHFFFAOYSA-N 0 0 390.512 4.760 50 0 GJAARN Cc1nn2c(ncc(C(=O)NCc3ccccc3C)c2C)c1-c1cccc(C)c1 ZINC000015733113 570223605 /nfs/dbraw/zinc/22/36/05/570223605.db2.gz FHVKMVXWURADLS-UHFFFAOYSA-N 0 0 384.483 4.560 50 0 GJAARN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000048255516 570224150 /nfs/dbraw/zinc/22/41/50/570224150.db2.gz IIGXUYRCZHYCGI-ZDUSSCGKSA-N 0 0 375.419 4.750 50 0 GJAARN COc1ccc([C@H]2Cc3onc(C)c3N=C(c3ccc(F)cc3)C2)cc1OC ZINC000085413327 570226532 /nfs/dbraw/zinc/22/65/32/570226532.db2.gz BGXBOGZKIWKOLR-MRXNPFEDSA-N 0 0 380.419 4.990 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1C)N(c1ccc(C)cc1)C(=O)C2 ZINC000019880497 570227066 /nfs/dbraw/zinc/22/70/66/570227066.db2.gz WNTASCPSLOCHCZ-RUZDIDTESA-N 0 0 387.479 4.999 50 0 GJAARN CCCCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000019879836 570227226 /nfs/dbraw/zinc/22/72/26/570227226.db2.gz LZDIKMLPJKXVJI-GOSISDBHSA-N 0 0 378.303 4.763 50 0 GJAARN Cc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023306769 570229179 /nfs/dbraw/zinc/22/91/79/570229179.db2.gz MXKOZUKLHHARJP-VWLOTQADSA-N 0 0 384.523 4.851 50 0 GJAARN Cc1ccc2cc(C(=O)NCc3ccc(N4CCCCCC4)nc3)c(C)nc2c1 ZINC000048290844 570229308 /nfs/dbraw/zinc/22/93/08/570229308.db2.gz LEHNLHDFMVSBJM-UHFFFAOYSA-N 0 0 388.515 4.557 50 0 GJAARN CCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000048290760 570229313 /nfs/dbraw/zinc/22/93/13/570229313.db2.gz GEWZAUJQFDFWHP-UHFFFAOYSA-N 0 0 393.462 4.850 50 0 GJAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000000919598 570229893 /nfs/dbraw/zinc/22/98/93/570229893.db2.gz FXBKHHKGZJDQCX-CZUORRHYSA-N 0 0 390.365 4.697 50 0 GJAARN Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000000919602 570229913 /nfs/dbraw/zinc/22/99/13/570229913.db2.gz FXBKHHKGZJDQCX-CJNGLKHVSA-N 0 0 390.365 4.697 50 0 GJAARN O=C(OCc1c(Cl)cccc1Cl)C(O)(c1ccccc1)c1ccccc1 ZINC000006053854 570229953 /nfs/dbraw/zinc/22/99/53/570229953.db2.gz YUPAYHSUWYRDMC-UHFFFAOYSA-N 0 0 387.262 4.973 50 0 GJAARN CCNc1nc(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nc2ccccc21 ZINC000011572727 570230157 /nfs/dbraw/zinc/23/01/57/570230157.db2.gz FVWYHNLLCRIRLF-CQSZACIVSA-N 0 0 398.507 4.512 50 0 GJAARN Cc1cc([C@@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000048277469 570230267 /nfs/dbraw/zinc/23/02/67/570230267.db2.gz POWDVQDWJIOGGT-IJEWVQPXSA-N 0 0 387.549 4.861 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(CC(C)C)s1 ZINC000000947778 570231309 /nfs/dbraw/zinc/23/13/09/570231309.db2.gz XLOLKDANBLNHKH-UHFFFAOYSA-N 0 0 376.869 4.606 50 0 GJAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1cccc(Br)c1 ZINC000000957751 570231843 /nfs/dbraw/zinc/23/18/43/570231843.db2.gz HPSWXTUKIIMJRZ-UHFFFAOYSA-N 0 0 397.297 4.936 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)nc(C)n1 ZINC000011613277 570234771 /nfs/dbraw/zinc/23/47/71/570234771.db2.gz UTXZTPZEWCXPGE-UHFFFAOYSA-N 0 0 393.447 4.580 50 0 GJAARN Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1 ZINC000001000878 570234812 /nfs/dbraw/zinc/23/48/12/570234812.db2.gz YPKUSSVTPLQXIX-UHFFFAOYSA-N 0 0 387.233 4.577 50 0 aggregator GJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 ZINC000001022953 570235568 /nfs/dbraw/zinc/23/55/68/570235568.db2.gz JMHHNIGZRMZBKH-QFIPXVFZSA-N 0 0 386.451 4.943 50 0 GJAARN Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 ZINC000004816680 570235547 /nfs/dbraw/zinc/23/55/47/570235547.db2.gz NZQBEVHEADFVJJ-UXHICEINSA-N 0 0 392.890 4.717 50 0 GJAARN O=C(Nc1cccc(Cl)c1F)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364532 570235662 /nfs/dbraw/zinc/23/56/62/570235662.db2.gz XOMUPJWASNRJHI-CQSZACIVSA-N 0 0 382.822 4.638 50 0 GJAARN CC1(C)Cc2cccc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)c2O1 ZINC000001025697 570235720 /nfs/dbraw/zinc/23/57/20/570235720.db2.gz STQNUQHBJLBUGU-UHFFFAOYSA-N 0 0 397.902 4.789 50 0 GJAARN O=S(=O)(c1cc(Cl)sc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000001028945 570235845 /nfs/dbraw/zinc/23/58/45/570235845.db2.gz RETCVTOKXJZZNV-UHFFFAOYSA-N 0 0 390.357 4.698 50 0 GJAARN Cn1c(SC[C@H](O)c2ccc(F)cc2)nnc1-c1ccc2ccccc2c1 ZINC000001033302 570236174 /nfs/dbraw/zinc/23/61/74/570236174.db2.gz DHULDWYEFUCYPX-IBGZPJMESA-N 0 0 379.460 4.600 50 0 GJAARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001032626 570236302 /nfs/dbraw/zinc/23/63/02/570236302.db2.gz IWRJKFHJZKTKAO-UHFFFAOYSA-N 0 0 376.884 4.628 50 0 GJAARN O=C1c2ccccc2C(=O)N1c1ncccc1OCc1ccc(Cl)c(Cl)c1 ZINC000001032857 570236352 /nfs/dbraw/zinc/23/63/52/570236352.db2.gz FGQRDIZAAJOACZ-UHFFFAOYSA-N 0 0 399.233 4.768 50 0 GJAARN S=C(Nc1ccc(Cl)cc1Cl)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000001045414 570238248 /nfs/dbraw/zinc/23/82/48/570238248.db2.gz PMNXZDRVMSZBGE-QGZVFWFLSA-N 0 0 391.327 4.918 50 0 GJAARN CN(Cc1cc(Br)cs1)C(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000048327982 570238290 /nfs/dbraw/zinc/23/82/90/570238290.db2.gz NILLRRANWASJTM-UHFFFAOYSA-N 0 0 396.354 4.612 50 0 GJAARN O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000001048107 570238600 /nfs/dbraw/zinc/23/86/00/570238600.db2.gz PLYOBKOGKORFMB-UHFFFAOYSA-N 0 0 390.283 4.692 50 0 GJAARN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4ccccc43)cc21 ZINC000001049459 570238668 /nfs/dbraw/zinc/23/86/68/570238668.db2.gz NMHFSFIIDLARLM-UHFFFAOYSA-N 0 0 379.437 4.898 50 0 GJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCC(=O)c1ccccc1 ZINC000001048698 570238693 /nfs/dbraw/zinc/23/86/93/570238693.db2.gz XDRLMNOCADFKOR-UHFFFAOYSA-N 0 0 390.222 4.997 50 0 GJAARN CC1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1 ZINC000001068726 570240181 /nfs/dbraw/zinc/24/01/81/570240181.db2.gz XWSIGLCYJMCRDI-UHFFFAOYSA-N 0 0 396.494 4.935 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)cc1OC ZINC000001073901 570240797 /nfs/dbraw/zinc/24/07/97/570240797.db2.gz HZVUZKPJBLNIDJ-UHFFFAOYSA-N 0 0 399.450 4.875 50 0 GJAARN CC(C)(C)c1ccc([C@@]23OC(=O)C4(CCCC4)[C@@H]2OC(=O)C32CCCC2)cc1 ZINC000001080882 570240901 /nfs/dbraw/zinc/24/09/01/570240901.db2.gz IKFFIXROKMWUGO-MHECFPHRSA-N 0 0 382.500 4.782 50 0 biogenic GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2-c2nc3ccccc3s2)cc1 ZINC000001476089 570241688 /nfs/dbraw/zinc/24/16/88/570241688.db2.gz HLUMYZJRPHQFAZ-UHFFFAOYSA-N 0 0 395.509 4.655 50 0 GJAARN COc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2CC2)c(OC)c1 ZINC000026019491 570242235 /nfs/dbraw/zinc/24/22/35/570242235.db2.gz NCFNWGVBSGBXEN-UHFFFAOYSA-N 0 0 394.298 4.744 50 0 GJAARN COc1ccccc1C(=O)n1nc(-c2ccco2)nc1SCc1ccccc1 ZINC000001110838 570242669 /nfs/dbraw/zinc/24/26/69/570242669.db2.gz SNDYNELTXFAUBH-UHFFFAOYSA-N 0 0 391.452 4.528 50 0 GJAARN CC(C)(C)c1cnc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)o1 ZINC000048354924 570243226 /nfs/dbraw/zinc/24/32/26/570243226.db2.gz APFMTWSJHQAOIW-UHFFFAOYSA-N 0 0 378.885 4.615 50 0 GJAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1C ZINC000035170887 570243800 /nfs/dbraw/zinc/24/38/00/570243800.db2.gz VNICSNAMIHTYOS-OAHLLOKOSA-N 0 0 381.863 4.707 50 0 GJAARN Clc1ccc(-c2noc(-c3ccccc3I)n2)cc1 ZINC000001126945 570244459 /nfs/dbraw/zinc/24/44/59/570244459.db2.gz DQNHLUYDKPKXMI-UHFFFAOYSA-N 0 0 382.588 4.662 50 0 GJAARN CCOC(=O)c1nc2ccccc2c(N(Cc2cccs2)C2CCCC2)n1 ZINC000015784074 570245458 /nfs/dbraw/zinc/24/54/58/570245458.db2.gz LUAGUNXMBDADJR-UHFFFAOYSA-N 0 0 381.501 4.817 50 0 GJAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc(Br)c2ccccc12 ZINC000001135071 570247043 /nfs/dbraw/zinc/24/70/43/570247043.db2.gz XGUQVPQGYVMXSD-UHFFFAOYSA-N 0 0 399.313 4.658 50 0 GJAARN CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1OC ZINC000048374401 570247728 /nfs/dbraw/zinc/24/77/28/570247728.db2.gz ZKTYZTPTZDAVFV-JOCHJYFZSA-N 0 0 389.455 4.650 50 0 GJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)CC(C)C)CC3)ccc21 ZINC000020215192 570248617 /nfs/dbraw/zinc/24/86/17/570248617.db2.gz ZCBGNLFDJCZAAT-UHFFFAOYSA-N 0 0 377.532 4.505 50 0 GJAARN S=C(c1cn(Cc2cccc3ccccc32)c2ccccc12)N1CCOCC1 ZINC000001148280 570248787 /nfs/dbraw/zinc/24/87/87/570248787.db2.gz RTFNWSHOHHHNEE-UHFFFAOYSA-N 0 0 386.520 4.851 50 0 GJAARN CC[C@]1(c2ccccc2)OC(c2cc(C3CC3)nc3ccccc32)=NN1C(C)=O ZINC000015785664 570250442 /nfs/dbraw/zinc/25/04/42/570250442.db2.gz LMSWLTNIIMGJJI-XMMPIXPASA-N 0 0 385.467 4.916 50 0 GJAARN CC(=O)N1N=C(c2cc(C3CC3)nc3ccccc32)O[C@@]1(C)c1ccc(C)cc1 ZINC000015785665 570250473 /nfs/dbraw/zinc/25/04/73/570250473.db2.gz KFUUBLBPDYNAKP-DEOSSOPVSA-N 0 0 385.467 4.834 50 0 GJAARN CCCc1cc(-c2onc(C)c2-c2ccc(C(=O)OCC)o2)c(O)cc1OC ZINC000001504602 570252011 /nfs/dbraw/zinc/25/20/11/570252011.db2.gz IWCWQQFBNYRLMT-UHFFFAOYSA-N 0 0 385.416 4.753 50 0 biogenic GJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000001167187 570252794 /nfs/dbraw/zinc/25/27/94/570252794.db2.gz FUUVMOLGOFLETN-UHFFFAOYSA-N 0 0 390.418 4.519 50 0 GJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000001171066 570252926 /nfs/dbraw/zinc/25/29/26/570252926.db2.gz UOQSZEQZLYRCRW-UHFFFAOYSA-N 0 0 390.508 4.852 50 0 GJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001173126 570253626 /nfs/dbraw/zinc/25/36/26/570253626.db2.gz XSVZTAZIIQZZCA-UHFFFAOYSA-N 0 0 382.407 4.619 50 0 GJAARN O=c1oc2c(cc(Cl)c3c2CN(Cc2ccc(F)cc2)CO3)c2c1CCCC2 ZINC000020394697 570253970 /nfs/dbraw/zinc/25/39/70/570253970.db2.gz VFFTVSUTIWLKRV-UHFFFAOYSA-N 0 0 399.849 4.816 50 0 GJAARN Cc1ccc(CN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000020390778 570254030 /nfs/dbraw/zinc/25/40/30/570254030.db2.gz NRFBXHKMQXXONI-UHFFFAOYSA-N 0 0 395.886 4.986 50 0 GJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1 ZINC000001049831 570254321 /nfs/dbraw/zinc/25/43/21/570254321.db2.gz QMFDBDSWIDYMPC-UHFFFAOYSA-N 0 0 388.492 4.995 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CCc1ccc(Cl)cc1)CO2 ZINC000020403887 570254346 /nfs/dbraw/zinc/25/43/46/570254346.db2.gz FJAUTMSWDAKCHY-UHFFFAOYSA-N 0 0 395.886 4.638 50 0 GJAARN COC(=O)c1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001183139 570255849 /nfs/dbraw/zinc/25/58/49/570255849.db2.gz HBWDUNBXFRZWES-FQEVSTJZSA-N 0 0 377.465 4.945 50 0 GJAARN CCOc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001182612 570255865 /nfs/dbraw/zinc/25/58/65/570255865.db2.gz HYSXTRJDRLFMDE-UHFFFAOYSA-N 0 0 376.481 4.879 50 0 GJAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001183359 570255870 /nfs/dbraw/zinc/25/58/70/570255870.db2.gz YYNZZRIUIGPBBY-UHFFFAOYSA-N 0 0 387.464 4.551 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(F)cc2)n1 ZINC000049005177 570257220 /nfs/dbraw/zinc/25/72/20/570257220.db2.gz ORDJCJRZPWWOGE-HNNXBMFYSA-N 0 0 378.451 4.836 50 0 GJAARN COc1ccccc1N1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000001208070 570258151 /nfs/dbraw/zinc/25/81/51/570258151.db2.gz GVGIFGHLXFMKSR-GDNBJRDFSA-N 0 0 390.258 4.699 50 0 GJAARN O=C(Nc1nc2c(s1)C(=O)CCC2)c1cccc(-n2ccc3ccccc32)c1 ZINC000049027557 570259960 /nfs/dbraw/zinc/25/99/60/570259960.db2.gz KWMYYNLSKJUCOM-UHFFFAOYSA-N 0 0 387.464 4.858 50 0 GJAARN O=C1C[C@H](c2ccccc2)c2cccc(N3CCN(c4ccc(F)cc4)CC3)c21 ZINC000001388208 570261564 /nfs/dbraw/zinc/26/15/64/570261564.db2.gz SGVCBQYTDKLCKT-JOCHJYFZSA-N 0 0 386.470 4.871 50 0 GJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CCc2ccccc2F)c1 ZINC000001431439 570263199 /nfs/dbraw/zinc/26/31/99/570263199.db2.gz ZJZPHDJRKPTLIN-UHFFFAOYSA-N 0 0 376.431 4.958 50 0 GJAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1ccccc1Cl ZINC000085988210 570264780 /nfs/dbraw/zinc/26/47/80/570264780.db2.gz YMPLFVVMPPUKLF-MAUKXSAKSA-N 0 0 377.271 4.512 50 0 GJAARN C[C@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000012854010 570267176 /nfs/dbraw/zinc/26/71/76/570267176.db2.gz SUDZVTPCNBAXPS-CQSZACIVSA-N 0 0 393.487 4.984 50 0 GJAARN Cc1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000100142274 570267207 /nfs/dbraw/zinc/26/72/07/570267207.db2.gz UYQNXFGGJSWAGN-OBRGUKLBSA-N 0 0 382.463 4.961 50 0 aggregator GJAARN Cc1ccc(CNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000015827512 570268079 /nfs/dbraw/zinc/26/80/79/570268079.db2.gz RDGNYQWFWSZLAG-UHFFFAOYSA-N 0 0 389.886 4.982 50 0 GJAARN CC(C)c1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 ZINC000049547029 570269419 /nfs/dbraw/zinc/26/94/19/570269419.db2.gz SHIRDUNJXYUWGL-SFHVURJKSA-N 0 0 378.497 4.771 50 0 GJAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c1C ZINC000001926282 570270041 /nfs/dbraw/zinc/27/00/41/570270041.db2.gz NYZXBKMVJYQRMI-UHFFFAOYSA-N 0 0 397.496 4.986 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc2ncsc2c1 ZINC000049509602 570270298 /nfs/dbraw/zinc/27/02/98/570270298.db2.gz BIGDRSUOFLKVAL-UHFFFAOYSA-N 0 0 391.496 4.628 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1cccc2-c1ccccn1 ZINC000004542305 570270331 /nfs/dbraw/zinc/27/03/31/570270331.db2.gz NAUPFRVAVFGVAF-UHFFFAOYSA-N 0 0 384.435 4.717 50 0 GJAARN C[C@H](CNC(=O)Nc1cccc2ccccc21)Cn1ccc(C(F)(F)F)n1 ZINC000020606801 570271253 /nfs/dbraw/zinc/27/12/53/570271253.db2.gz QEBMVFLCTIGDLF-CYBMUJFWSA-N 0 0 376.382 4.513 50 0 GJAARN O=C(c1ccc(-c2ccccc2Cl)o1)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000114134931 570273586 /nfs/dbraw/zinc/27/35/86/570273586.db2.gz KMQKRILARHCTAV-INIZCTEOSA-N 0 0 382.847 4.821 50 0 GJAARN Fc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3Cl)C2)cc1F ZINC000100716247 570274957 /nfs/dbraw/zinc/27/49/57/570274957.db2.gz HIRLMQGJSFKEIZ-INIZCTEOSA-N 0 0 379.197 4.919 50 0 GJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000020714672 570275424 /nfs/dbraw/zinc/27/54/24/570275424.db2.gz RHBLSVWUDSEAQA-INIZCTEOSA-N 0 0 380.835 4.683 50 0 GJAARN CCCOc1c(Br)cc(C(=O)Nc2ccccc2F)cc1OC ZINC000002140797 570275820 /nfs/dbraw/zinc/27/58/20/570275820.db2.gz IYYDYVXYNOHBMF-UHFFFAOYSA-N 0 0 382.229 4.638 50 0 GJAARN CCn1c(-c2cc(NC(=O)CSc3ccccc3)n[nH]2)cc2ccccc21 ZINC000085824785 570276326 /nfs/dbraw/zinc/27/63/26/570276326.db2.gz NRLCXRCMMNCRPN-UHFFFAOYSA-N 0 0 376.485 4.782 50 0 GJAARN O=S(=O)(c1ccc(F)cc1)N1CCS[C@@H]1c1ccc2c3c(cccc31)CC2 ZINC000005770098 570276734 /nfs/dbraw/zinc/27/67/34/570276734.db2.gz PHQVUUNSQYPXCV-OAQYLSRUSA-N 0 0 399.512 4.514 50 0 GJAARN COc1ccccc1[C@H]1N2CCCN2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000638033 570278966 /nfs/dbraw/zinc/27/89/66/570278966.db2.gz SJOMDJCGZOMZQL-KRWDZBQOSA-N 0 0 378.259 4.564 50 0 GJAARN COc1cccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 ZINC000006653788 570279658 /nfs/dbraw/zinc/27/96/58/570279658.db2.gz WMICDIXHIUCFKM-NSFRLNINSA-N 0 0 397.478 4.685 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 ZINC000015863896 570279815 /nfs/dbraw/zinc/27/98/15/570279815.db2.gz QXOHRYORLSBGOG-KRWDZBQOSA-N 0 0 385.467 4.754 50 0 GJAARN CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccccc1 ZINC000006169111 570279911 /nfs/dbraw/zinc/27/99/11/570279911.db2.gz YMJLLBBRBPGIST-UHFFFAOYSA-N 0 0 391.496 4.981 50 0 GJAARN Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 ZINC000002315856 570282222 /nfs/dbraw/zinc/28/22/22/570282222.db2.gz GNNYTWXCDKZPNS-UHFFFAOYSA-N 0 0 382.418 4.627 50 0 GJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccccc1 ZINC000015880691 570282475 /nfs/dbraw/zinc/28/24/75/570282475.db2.gz KHIOYGAEQZNLLD-UHFFFAOYSA-N 0 0 386.864 4.622 50 0 GJAARN O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012882425 570284027 /nfs/dbraw/zinc/28/40/27/570284027.db2.gz CSGPCCCYOIAJNI-CQSZACIVSA-N 0 0 388.439 4.918 50 0 GJAARN C[C@H]1N=C(c2cccc(C3=N[C@H](C)[C@@H](c4ccccc4)O3)n2)O[C@@H]1c1ccccc1 ZINC000002387282 570285365 /nfs/dbraw/zinc/28/53/65/570285365.db2.gz WAQJMWVRZVOTCH-AFXFGAOOSA-N 0 0 397.478 4.895 50 0 GJAARN Cc1nc2sc3c(c2c(N2CCC([C@H](O)c4ccccc4)CC2)n1)CCCC3 ZINC000012892687 570286488 /nfs/dbraw/zinc/28/64/88/570286488.db2.gz SLVFFAQMKWGIAS-OAQYLSRUSA-N 0 0 393.556 4.829 50 0 GJAARN Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccco2)cc1 ZINC000002447645 570287213 /nfs/dbraw/zinc/28/72/13/570287213.db2.gz SXFGABGKFBTYNW-UHFFFAOYSA-N 0 0 393.443 4.950 50 0 GJAARN CC(C)(C)c1ccc(O)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000021006843 570287273 /nfs/dbraw/zinc/28/72/73/570287273.db2.gz WYTDMGIWVHZTJL-UHFFFAOYSA-N 0 0 389.879 4.686 50 0 GJAARN O=C(CC1CCCC1)N1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020999108 570287278 /nfs/dbraw/zinc/28/72/78/570287278.db2.gz KGNNPQCQFRYKPT-QGZVFWFLSA-N 0 0 383.517 4.639 50 0 GJAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000012897936 570287238 /nfs/dbraw/zinc/28/72/38/570287238.db2.gz BVUCWUGXFYHGMI-UHFFFAOYSA-N 0 0 393.314 4.722 50 0 GJAARN CC(C)n1ncc2cc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cnc21 ZINC000012902079 570288767 /nfs/dbraw/zinc/28/87/67/570288767.db2.gz AFJQKWCOORGUPF-UHFFFAOYSA-N 0 0 377.275 4.591 50 0 GJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1OC[C@H]1CCCO1 ZINC000012904053 570289493 /nfs/dbraw/zinc/28/94/93/570289493.db2.gz AFWCAEGSCCCMAU-CYBMUJFWSA-N 0 0 397.805 4.752 50 0 GJAARN COC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002518275 570289711 /nfs/dbraw/zinc/28/97/11/570289711.db2.gz OBCKJSMKDSHPPN-UHFFFAOYSA-N 0 0 387.435 4.512 50 0 GJAARN Cc1c([C@@H](C)NC(=O)c2cccc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024755274 570290310 /nfs/dbraw/zinc/29/03/10/570290310.db2.gz GTQQOLAFAHUYJL-GFCCVEGCSA-N 0 0 391.368 4.830 50 0 GJAARN COc1cccc2cc(-c3csc(NC(=O)c4ccccc4OC)n3)oc21 ZINC000010748298 570290460 /nfs/dbraw/zinc/29/04/60/570290460.db2.gz RGTGCVHHCNSRMB-UHFFFAOYSA-N 0 0 380.425 4.826 50 0 GJAARN COc1ccc([C@H]2CCCCCN2Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000012910062 570290497 /nfs/dbraw/zinc/29/04/97/570290497.db2.gz XDGXLKANHTYUGB-OAQYLSRUSA-N 0 0 393.487 4.871 50 0 GJAARN CC(C)c1nnc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)[nH]1 ZINC000021141360 570291616 /nfs/dbraw/zinc/29/16/16/570291616.db2.gz GGCAIVROBQXQGS-HNNXBMFYSA-N 0 0 396.516 4.626 50 0 GJAARN O=C(Nc1nnc(CSCc2ccccc2F)s1)Nc1ccc(F)cc1 ZINC000002596740 570291913 /nfs/dbraw/zinc/29/19/13/570291913.db2.gz PAAKUOQYZJJXPK-UHFFFAOYSA-N 0 0 392.456 4.894 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000012916901 570292697 /nfs/dbraw/zinc/29/26/97/570292697.db2.gz LWKOXUJSQPLEHX-UHFFFAOYSA-N 0 0 390.361 4.772 50 0 GJAARN CC(C)CNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)CC(C)C)cc1 ZINC000034679937 570293408 /nfs/dbraw/zinc/29/34/08/570293408.db2.gz ONSVDOOZLPTQLB-UHFFFAOYSA-N 0 0 398.522 4.720 50 0 GJAARN Cc1cccc(OCCCN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000012921702 570294766 /nfs/dbraw/zinc/29/47/66/570294766.db2.gz QVRWTDFKWJPHMF-XMMPIXPASA-N 0 0 394.515 4.529 50 0 GJAARN CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1cccc(Cl)c1 ZINC000012923123 570295406 /nfs/dbraw/zinc/29/54/06/570295406.db2.gz USEHZCNSMBTJBW-UHFFFAOYSA-N 0 0 393.870 4.969 50 0 GJAARN Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)c1 ZINC000000707134 570296712 /nfs/dbraw/zinc/29/67/12/570296712.db2.gz WFWABJDSCHMCFJ-RCCKNPSSSA-N 0 0 383.403 4.559 50 0 GJAARN COC(=O)[C@@H](OC(=O)c1ccccc1SCc1ccco1)c1ccccc1 ZINC000021839700 570297405 /nfs/dbraw/zinc/29/74/05/570297405.db2.gz LLCHYEFWMOVPDD-IBGZPJMESA-N 0 0 382.437 4.643 50 0 GJAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1 ZINC000034679996 570299175 /nfs/dbraw/zinc/29/91/75/570299175.db2.gz ZWCDKAGAAVZCSB-UHFFFAOYSA-N 0 0 396.506 4.618 50 0 GJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000012930837 570300980 /nfs/dbraw/zinc/30/09/80/570300980.db2.gz ILRVVRGFWLHEHW-UHFFFAOYSA-N 0 0 396.512 4.798 50 0 GJAARN COc1ccc(NC(=O)c2ccc(CSC(F)F)o2)cc1OC(F)F ZINC000012931169 570301034 /nfs/dbraw/zinc/30/10/34/570301034.db2.gz KLQMYPNPNWAOLP-UHFFFAOYSA-N 0 0 379.331 4.598 50 0 GJAARN CCOc1ccc(CCn2c(C)nc(=O)c(-c3ccccc3)c2C)cc1OCC ZINC000022033500 570302501 /nfs/dbraw/zinc/30/25/01/570302501.db2.gz XTRHMPIPKVQTIU-UHFFFAOYSA-N 0 0 392.499 4.567 50 0 GJAARN CC(C)CNC(=O)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000034711852 570303439 /nfs/dbraw/zinc/30/34/39/570303439.db2.gz YULNPWKJPCJJHG-UHFFFAOYSA-N 0 0 384.476 4.914 50 0 GJAARN CCNC(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2F)n1 ZINC000034713341 570303772 /nfs/dbraw/zinc/30/37/72/570303772.db2.gz IPWSOQBTLKHNQM-UHFFFAOYSA-N 0 0 390.867 4.931 50 0 GJAARN O=C(NCCCc1nc2ccccc2[nH]1)C1c2ccccc2Oc2ccccc21 ZINC000010541723 570304068 /nfs/dbraw/zinc/30/40/68/570304068.db2.gz DURIXZLPBVHSLL-UHFFFAOYSA-N 0 0 383.451 4.550 50 0 GJAARN O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1cccc(Cl)c1 ZINC000021681398 570305596 /nfs/dbraw/zinc/30/55/96/570305596.db2.gz RHLAPDMTADINNU-UHFFFAOYSA-N 0 0 383.904 4.607 50 0 GJAARN O=C(c1cc2ccccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022089791 570305652 /nfs/dbraw/zinc/30/56/52/570305652.db2.gz ADXXNJXGKIIVLO-UHFFFAOYSA-N 0 0 395.506 4.715 50 0 GJAARN COc1ccccc1-c1nnc2c3cc(C)ccc3nc(NCc3ccccc3)n12 ZINC000034699704 570306034 /nfs/dbraw/zinc/30/60/34/570306034.db2.gz FWPDTLGLDSXPNR-UHFFFAOYSA-N 0 0 395.466 4.874 50 0 GJAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3nc4ccccc4[nH]3)c12 ZINC000022227177 570307550 /nfs/dbraw/zinc/30/75/50/570307550.db2.gz YFUIDUOZTSURPB-UHFFFAOYSA-N 0 0 383.411 4.635 50 0 GJAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccccc1F ZINC000002844794 570307621 /nfs/dbraw/zinc/30/76/21/570307621.db2.gz CMIPEDYENLNDIE-MOSHPQCFSA-N 0 0 391.373 4.888 50 0 GJAARN CC(=O)c1ccc(NC(=O)Nc2cnn(Cc3cccc4ccccc43)c2)cc1 ZINC000002850875 570308749 /nfs/dbraw/zinc/30/87/49/570308749.db2.gz YRAAWYDVQPJZMD-UHFFFAOYSA-N 0 0 384.439 4.931 50 0 GJAARN Cc1ccc(NCc2ccc(-c3cccc(F)c3C)o2)cc1N1C(=O)CCC1=O ZINC000129774700 570312643 /nfs/dbraw/zinc/31/26/43/570312643.db2.gz WRDRDNHKBQNZLH-UHFFFAOYSA-N 0 0 392.430 4.968 50 0 GJAARN COCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2c(C)c(Cl)ccc12 ZINC000002867786 570313120 /nfs/dbraw/zinc/31/31/20/570313120.db2.gz FLBAGLGUIZOXLQ-UHFFFAOYSA-N 0 0 382.891 4.857 50 0 GJAARN Cc1cc(C(=O)COC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c(C)[nH]1 ZINC000022417075 570316753 /nfs/dbraw/zinc/31/67/53/570316753.db2.gz JZPIITOEQGYXNR-UHFFFAOYSA-N 0 0 388.876 4.757 50 0 GJAARN CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000757943 570317785 /nfs/dbraw/zinc/31/77/85/570317785.db2.gz VICXDBVPZWFADX-MRXNPFEDSA-N 0 0 385.291 4.601 50 0 GJAARN COc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccco4)c3C)sc2c1 ZINC000060912425 570317930 /nfs/dbraw/zinc/31/79/30/570317930.db2.gz FIWHDGDWKMOQAX-UHFFFAOYSA-N 0 0 381.457 4.617 50 0 GJAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1O ZINC000002949835 570319433 /nfs/dbraw/zinc/31/94/33/570319433.db2.gz KEGQNJITMFBVAC-OAHLLOKOSA-N 0 0 384.682 4.587 50 0 GJAARN O=C1CS[C@@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1O ZINC000002949834 570319530 /nfs/dbraw/zinc/31/95/30/570319530.db2.gz KEGQNJITMFBVAC-HNNXBMFYSA-N 0 0 384.682 4.587 50 0 in-vivo GJAARN O=C(NCCc1ccc(F)cc1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023333277 570321059 /nfs/dbraw/zinc/32/10/59/570321059.db2.gz QFBFFTGEJPAZOK-UHFFFAOYSA-N 0 0 385.442 4.855 50 0 GJAARN COC(=O)c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccc(O)cc21 ZINC000016249696 570321730 /nfs/dbraw/zinc/32/17/30/570321730.db2.gz CXOKXFUEMDSWPK-UHFFFAOYSA-N 0 0 381.472 4.818 50 0 GJAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccccc1Cl ZINC000002979373 570321886 /nfs/dbraw/zinc/32/18/86/570321886.db2.gz HWGJKYDCNLESLS-UHFFFAOYSA-N 0 0 397.725 4.846 50 0 GJAARN CCCCCCNc1nc(-c2ccc(OC)cc2)c(CCC(=O)OC)s1 ZINC000075274034 570322007 /nfs/dbraw/zinc/32/20/07/570322007.db2.gz LAOXFEAQNMDYAW-UHFFFAOYSA-N 0 0 376.522 4.917 50 0 GJAARN COc1ccc(Br)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 ZINC000002982124 570322150 /nfs/dbraw/zinc/32/21/50/570322150.db2.gz MENCYSQAPNMNKY-UHFFFAOYSA-N 0 0 399.306 4.657 50 0 GJAARN O=C(/C=C/c1ccc(OC(F)F)cc1)N[C@H]1CCSc2c(F)cccc21 ZINC000016300651 570323895 /nfs/dbraw/zinc/32/38/95/570323895.db2.gz HTPWDJHRMFJLSS-FSNWXROXSA-N 0 0 379.403 4.794 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000022739403 570325951 /nfs/dbraw/zinc/32/59/51/570325951.db2.gz BKXWSEQQZAWTJL-UHFFFAOYSA-N 0 0 392.509 4.813 50 0 GJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CSC3CCCC3)C2)n1 ZINC000220788000 570326576 /nfs/dbraw/zinc/32/65/76/570326576.db2.gz TYHDEOSQBYWYRT-KRWDZBQOSA-N 0 0 399.560 4.502 50 0 GJAARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1Cl ZINC000003176614 570330092 /nfs/dbraw/zinc/33/00/92/570330092.db2.gz ACLWBEWVFYECLS-IBGZPJMESA-N 0 0 379.843 4.751 50 0 GJAARN C=C1C[C@@H]2[C@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000001689375 570331208 /nfs/dbraw/zinc/33/12/08/570331208.db2.gz YCDZXIYKJHQMIG-CYDYFGPOSA-N 0 0 384.516 4.575 50 0 GJAARN CCOC(=O)[C@@H](Oc1ccc2c3c(c(=O)oc2c1C)CCCC3)c1ccccc1 ZINC000003201353 570332310 /nfs/dbraw/zinc/33/23/10/570332310.db2.gz ONTAZNPFOLQSJF-QFIPXVFZSA-N 0 0 392.451 4.663 50 0 GJAARN Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000022901870 570333339 /nfs/dbraw/zinc/33/33/39/570333339.db2.gz FQJXNFAZNPFGIE-UHFFFAOYSA-N 0 0 390.483 4.604 50 0 GJAARN COc1cccc2cc(C(=O)NC[C@H](O)c3ccc(-c4ccsc4)cc3)oc21 ZINC000575610940 570334647 /nfs/dbraw/zinc/33/46/47/570334647.db2.gz RHNSFNCDAGSEOG-SFHVURJKSA-N 0 0 393.464 4.633 50 0 GJAARN COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(-c4ccsc4)cc3)oc21 ZINC000575610938 570334692 /nfs/dbraw/zinc/33/46/92/570334692.db2.gz RHNSFNCDAGSEOG-GOSISDBHSA-N 0 0 393.464 4.633 50 0 GJAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2OC)c1 ZINC000034796201 570337662 /nfs/dbraw/zinc/33/76/62/570337662.db2.gz PXBNLDJXYNOHDM-UHFFFAOYSA-N 0 0 379.460 4.545 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2ccc(F)cc2)C1=O ZINC000022987720 570339599 /nfs/dbraw/zinc/33/95/99/570339599.db2.gz JOXJSTFBXBFFHG-QGZVFWFLSA-N 0 0 377.868 4.793 50 0 GJAARN CN(C)c1ccc(-c2ccc3oc([C@@H]4CCCN4C(=O)C4CC4)nc3c2)cc1 ZINC000034908288 570340081 /nfs/dbraw/zinc/34/00/81/570340081.db2.gz WKDRAGIFNNZCBH-FQEVSTJZSA-N 0 0 375.472 4.634 50 0 GJAARN COCc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000023011590 570340450 /nfs/dbraw/zinc/34/04/50/570340450.db2.gz CSQRLADSOADRSA-UHFFFAOYSA-N 0 0 375.428 4.729 50 0 GJAARN COc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccc(C)c3)sc2C)cc1 ZINC000006217351 570342697 /nfs/dbraw/zinc/34/26/97/570342697.db2.gz ZOPXDRCWDZPCTA-CQSZACIVSA-N 0 0 382.485 4.842 50 0 GJAARN C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000011694518 570343049 /nfs/dbraw/zinc/34/30/49/570343049.db2.gz DZDXTQCZNFDYGW-ZDUSSCGKSA-N 0 0 381.432 4.608 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1F)c1csc(COc2ccc(F)cc2)n1 ZINC000023079868 570343407 /nfs/dbraw/zinc/34/34/07/570343407.db2.gz BRUFVFGKQLFDLZ-UHFFFAOYSA-N 0 0 382.338 4.531 50 0 GJAARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000023100189 570343735 /nfs/dbraw/zinc/34/37/35/570343735.db2.gz IPSLQMMUOADWCN-UHFFFAOYSA-N 0 0 394.452 4.518 50 0 GJAARN O=C(Nc1ccc2nc(-c3cccc(F)c3)oc2c1)c1ccc2c(c1)OCCO2 ZINC000006220721 570343927 /nfs/dbraw/zinc/34/39/27/570343927.db2.gz SKDLEMALNZHOKQ-UHFFFAOYSA-N 0 0 390.370 4.657 50 0 GJAARN O=C(Nc1cccc(F)c1)N[C@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000032949097 570344270 /nfs/dbraw/zinc/34/42/70/570344270.db2.gz QSAQMMZXFIGHLF-HXUWFJFHSA-N 0 0 392.430 4.530 50 0 GJAARN Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)c(C)c1 ZINC000035375284 570345793 /nfs/dbraw/zinc/34/57/93/570345793.db2.gz ZOQRTECVVPXYOD-UHFFFAOYSA-N 0 0 394.500 4.894 50 0 GJAARN COc1ccc(-c2nc3ccccn3c2NC(=O)CCC2CCCC2)cc1OC ZINC000034912565 570346333 /nfs/dbraw/zinc/34/63/33/570346333.db2.gz ACCTTXOHRAQOFY-UHFFFAOYSA-N 0 0 393.487 4.927 50 0 GJAARN COc1cc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cc(Cl)c1OC ZINC000022402629 570346988 /nfs/dbraw/zinc/34/69/88/570346988.db2.gz QQNVDYXDFFHAOT-BQYQJAHWSA-N 0 0 398.261 4.822 50 0 GJAARN COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000003606076 570348571 /nfs/dbraw/zinc/34/85/71/570348571.db2.gz ZEOQZYLBZBZUGW-UHFFFAOYSA-N 0 0 386.245 4.628 50 0 GJAARN O=C(CSc1ccccc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399423 570349690 /nfs/dbraw/zinc/34/96/90/570349690.db2.gz FMBJNUOONQRYFX-UHFFFAOYSA-N 0 0 389.524 4.513 50 0 biogenic GJAARN CC[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12)c1ccccc1 ZINC000035399402 570349769 /nfs/dbraw/zinc/34/97/69/570349769.db2.gz DIIOWNULNIGKGI-HXUWFJFHSA-N 0 0 385.511 4.914 50 0 GJAARN Fc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1Br ZINC000055543934 570350983 /nfs/dbraw/zinc/35/09/83/570350983.db2.gz WXGJVHTXPKIJHV-UHFFFAOYSA-N 0 0 383.692 4.564 50 0 GJAARN C[S@@](=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000003815700 570351016 /nfs/dbraw/zinc/35/10/16/570351016.db2.gz CDMGBJANTYXAIV-MHZLTWQESA-N 0 0 377.444 4.682 50 0 in-vivo GJAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3F)c3ccccc3n2)cc1 ZINC000006260774 570352975 /nfs/dbraw/zinc/35/29/75/570352975.db2.gz WLGQGAJIRSKCNU-UHFFFAOYSA-N 0 0 386.426 4.980 50 0 GJAARN O=C(CCc1nc2ccccc2[nH]1)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000010895288 570353809 /nfs/dbraw/zinc/35/38/09/570353809.db2.gz FXQLPRCNAMNPRA-UHFFFAOYSA-N 0 0 396.903 4.835 50 0 GJAARN CCCCOC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000004105392 570357480 /nfs/dbraw/zinc/35/74/80/570357480.db2.gz VIZHYOQUNVSIAV-CQSZACIVSA-N 0 0 377.843 4.858 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429868 570358057 /nfs/dbraw/zinc/35/80/57/570358057.db2.gz KWNWHQIUORYFBS-UHFFFAOYSA-N 0 0 388.858 4.957 50 0 GJAARN O=C(CCCCCn1cccc1)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000604418783 570362823 /nfs/dbraw/zinc/36/28/23/570362823.db2.gz CFEYTIVZSPVBPX-QHCPKHFHSA-N 0 0 386.499 4.831 50 0 GJAARN COc1ccc([C@H](NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1OC ZINC000604419222 570363176 /nfs/dbraw/zinc/36/31/76/570363176.db2.gz PPUHFGFSQAYXTM-OAQYLSRUSA-N 0 0 381.476 4.714 50 0 GJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000004910848 570363164 /nfs/dbraw/zinc/36/31/64/570363164.db2.gz NVKMYWAWBKWNPA-GOSISDBHSA-N 0 0 391.515 4.538 50 0 GJAARN O=C(Nc1cccc(F)c1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000004910757 570363245 /nfs/dbraw/zinc/36/32/45/570363245.db2.gz KEMLBAYBVPTAIX-MRXNPFEDSA-N 0 0 386.814 4.898 50 0 GJAARN Cc1nc(NC(=O)c2c(C)onc2-c2ccccc2)sc1-c1ccccn1 ZINC000023497765 570363954 /nfs/dbraw/zinc/36/39/54/570363954.db2.gz AYYGLXUXBXVCJY-UHFFFAOYSA-N 0 0 376.441 4.729 50 0 GJAARN O=C1COc2ccc(Nc3ncnc4scc(-c5ccc(F)cc5)c43)cc2N1 ZINC000023709096 570369618 /nfs/dbraw/zinc/36/96/18/570369618.db2.gz DZWCSQUSHSEPCP-UHFFFAOYSA-N 0 0 392.415 4.572 50 0 GJAARN COc1ccc(/C=C/C(=O)N[C@H](C)Cc2csc3ccccc23)cc1OC ZINC000575621726 570370457 /nfs/dbraw/zinc/37/04/57/570370457.db2.gz RVUMFCBIVJUUQA-SLZMIMFISA-N 0 0 381.497 4.679 50 0 GJAARN CC[C@H](C)NC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C ZINC000004935489 570374063 /nfs/dbraw/zinc/37/40/63/570374063.db2.gz DSYHSXKHZXVQII-ZDUSSCGKSA-N 0 0 384.911 4.514 50 0 GJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3)c3ccccc3c2=O)cc1 ZINC000004936843 570376046 /nfs/dbraw/zinc/37/60/46/570376046.db2.gz MFUUAHOLKACGKE-UHFFFAOYSA-N 0 0 383.447 4.680 50 0 GJAARN COc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)nc2c1 ZINC000006314376 570376431 /nfs/dbraw/zinc/37/64/31/570376431.db2.gz BQARTBCWLLEQDV-VIFPVBQESA-N 0 0 396.299 4.998 50 0 GJAARN CCN(CC)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006318497 570377061 /nfs/dbraw/zinc/37/70/61/570377061.db2.gz BEFGSGUOTODJBF-UHFFFAOYSA-N 0 0 395.286 4.635 50 0 GJAARN O=C(Nc1ccc(N2CCCC2)nc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000024147948 570379700 /nfs/dbraw/zinc/37/97/00/570379700.db2.gz UIAJNARAKBQFNQ-UHFFFAOYSA-N 0 0 395.466 4.544 50 0 GJAARN COc1cc2c(cc1NC(=O)c1cc(=O)c3ccccc3o1)oc1ccccc12 ZINC000004950400 570379744 /nfs/dbraw/zinc/37/97/44/570379744.db2.gz XSMUPBGBVRYXRY-UHFFFAOYSA-N 0 0 385.375 4.953 50 0 GJAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004512668 570380781 /nfs/dbraw/zinc/38/07/81/570380781.db2.gz CJFFNROSJOJWEK-UHFFFAOYSA-N 0 0 379.504 4.690 50 0 GJAARN O=C1/C(=C/c2ccccc2)N=C2SC=C(c3ccc(Br)cc3)N12 ZINC000033596928 570382426 /nfs/dbraw/zinc/38/24/26/570382426.db2.gz UDQSUVZPTZEFQD-GDNBJRDFSA-N 0 0 383.270 4.734 50 0 GJAARN COC(=O)c1c(NCc2cccc(Br)c2)onc1-c1ccccc1 ZINC000035510033 570382440 /nfs/dbraw/zinc/38/24/40/570382440.db2.gz NDROPGHIKCWYKF-UHFFFAOYSA-N 0 0 387.233 4.503 50 0 GJAARN Fc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024432642 570383589 /nfs/dbraw/zinc/38/35/89/570383589.db2.gz IATKINLGQIDXND-LJQANCHMSA-N 0 0 380.419 4.589 50 0 GJAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@H](C)c1ccccc1 ZINC000035510306 570383647 /nfs/dbraw/zinc/38/36/47/570383647.db2.gz YUDHJPGQQGFNDF-GFCCVEGCSA-N 0 0 385.261 4.904 50 0 GJAARN O[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000004551348 570383760 /nfs/dbraw/zinc/38/37/60/570383760.db2.gz IIDXTANDCIHAPJ-MRXNPFEDSA-N 0 0 397.809 4.815 50 0 GJAARN C[C@H](CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000004575198 570385537 /nfs/dbraw/zinc/38/55/37/570385537.db2.gz BZKTYZWUZLSIMQ-LNIIZBNTSA-N 0 0 393.486 4.682 50 0 GJAARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F ZINC000024562756 570385604 /nfs/dbraw/zinc/38/56/04/570385604.db2.gz IBFIYNINBCSPHU-IBGZPJMESA-N 0 0 383.854 4.531 50 0 GJAARN CC(C)c1ccc(NC(=O)Cn2cccc2C2=N[C@@H](c3ccccc3)CO2)cc1 ZINC000004970991 570386377 /nfs/dbraw/zinc/38/63/77/570386377.db2.gz MNXGXFLGHZCWSZ-OAQYLSRUSA-N 0 0 387.483 4.768 50 0 GJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cc(C)sc2C)cc1 ZINC000035511542 570388358 /nfs/dbraw/zinc/38/83/58/570388358.db2.gz PYEQEWXEKMSZRG-GOSISDBHSA-N 0 0 393.512 4.730 50 0 GJAARN Cc1noc(C)c1CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000023124609 570389599 /nfs/dbraw/zinc/38/95/99/570389599.db2.gz IVPDXFBZNFAYQH-UHFFFAOYSA-N 0 0 380.288 4.900 50 0 GJAARN COc1ccc2cc(C(=O)N[C@H]3CCSc4ccc(F)cc43)c(C)nc2c1 ZINC000024715423 570390349 /nfs/dbraw/zinc/39/03/49/570390349.db2.gz BDJKJKAQVBTXDA-SFHVURJKSA-N 0 0 382.460 4.658 50 0 GJAARN COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@H](c2ccco2)C1 ZINC000004994213 570391607 /nfs/dbraw/zinc/39/16/07/570391607.db2.gz JRVIJLFPOKIHIE-SFHVURJKSA-N 0 0 380.831 4.933 50 0 GJAARN O=C(CCC1CCCCC1)NC(N1CCCCC1)(C(F)(F)F)C(F)(F)F ZINC000012363152 570392179 /nfs/dbraw/zinc/39/21/79/570392179.db2.gz ZIRUXFNNMZIEDJ-UHFFFAOYSA-N 0 0 388.396 4.770 50 0 GJAARN C[C@@H](NC(=O)CSc1nc2c(cc(Cl)cc2Cl)[nH]1)c1ccccc1 ZINC000032691705 570392825 /nfs/dbraw/zinc/39/28/25/570392825.db2.gz NJWXNRWQVFYROR-SNVBAGLBSA-N 0 0 380.300 4.839 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000035528995 570393424 /nfs/dbraw/zinc/39/34/24/570393424.db2.gz BXHSFOVVPDFDDI-SFHVURJKSA-N 0 0 379.504 4.506 50 0 GJAARN O=C1NC(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1 ZINC000004698980 570394519 /nfs/dbraw/zinc/39/45/19/570394519.db2.gz SKJRITYPYJQGBX-KGENOOAVSA-N 0 0 388.398 4.502 50 0 GJAARN Cc1ccc(N2C(=O)N(Cc3coc(-c4ccc(C)cc4C)n3)C(=O)[C@H]2C)cc1 ZINC000024830277 570394664 /nfs/dbraw/zinc/39/46/64/570394664.db2.gz KCIZFWUTXNRJCK-QGZVFWFLSA-N 0 0 389.455 4.624 50 0 GJAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1SCc1cscn1 ZINC000024840487 570395579 /nfs/dbraw/zinc/39/55/79/570395579.db2.gz ZDHYPDUZCNYIBO-QGZVFWFLSA-N 0 0 382.510 4.689 50 0 GJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCc4nnc(-c5ccccc5)o4)cc3c2C1 ZINC000032945334 570396611 /nfs/dbraw/zinc/39/66/11/570396611.db2.gz SYKSUYZBYHJYIS-CQSZACIVSA-N 0 0 387.439 4.700 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(C)c(C)c3)cc2s1 ZINC000032959722 570397681 /nfs/dbraw/zinc/39/76/81/570397681.db2.gz PEQPAXLBOHTWAM-UHFFFAOYSA-N 0 0 381.501 4.833 50 0 GJAARN COc1cc(NC(=O)c2cc(Br)ccc2F)c(OC)cc1Cl ZINC000023996019 570397728 /nfs/dbraw/zinc/39/77/28/570397728.db2.gz ZGERHXGNKPVSIR-UHFFFAOYSA-N 0 0 388.620 4.511 50 0 GJAARN O=C1[C@H]2[C@H](C(=O)N1Cc1ccco1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000004724845 570398170 /nfs/dbraw/zinc/39/81/70/570398170.db2.gz BWINNIQKHYHVGB-KAOXLYBCSA-N 0 0 383.447 4.518 50 0 GJAARN Clc1cccc(-c2nnc3sc(-c4ccccc4Br)nn32)c1 ZINC000004734900 570399032 /nfs/dbraw/zinc/39/90/32/570399032.db2.gz OIFABBXMSRHYLS-UHFFFAOYSA-N 0 0 391.681 4.936 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccnc2)cc1 ZINC000004734794 570399179 /nfs/dbraw/zinc/39/91/79/570399179.db2.gz HAEQZYXLQSHTTG-QFIPXVFZSA-N 0 0 395.466 4.667 50 0 GJAARN Cc1c([C@@H](C)NC(=O)C2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024970738 570400147 /nfs/dbraw/zinc/40/01/47/570400147.db2.gz NIODOQFQZOSDKR-CYBMUJFWSA-N 0 0 379.426 4.957 50 0 GJAARN O=C(NCCC1=CCCCC1)c1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000033106154 570402215 /nfs/dbraw/zinc/40/22/15/570402215.db2.gz BVOMAPAIDFVDNF-UHFFFAOYSA-N 0 0 390.531 4.754 50 0 GJAARN C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 ZINC000005039876 570402733 /nfs/dbraw/zinc/40/27/33/570402733.db2.gz ZMSCAYGHVFLQPN-AWEZNQCLSA-N 0 0 399.830 4.696 50 0 GJAARN Cc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(-c3ccc(C)o3)n2)n1 ZINC000025014698 570403366 /nfs/dbraw/zinc/40/33/66/570403366.db2.gz DMYNZQIIAJETKU-UHFFFAOYSA-N 0 0 392.484 4.695 50 0 GJAARN CCSc1nc(-c2ccc(OC)cc2)nc2c1Cc1cccc(OC)c1O2 ZINC000005035285 570403589 /nfs/dbraw/zinc/40/35/89/570403589.db2.gz CPRGGMUUKURKGI-UHFFFAOYSA-N 0 0 380.469 4.969 50 0 GJAARN CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccncc1 ZINC000025045990 570403712 /nfs/dbraw/zinc/40/37/12/570403712.db2.gz GACFXSWIWVPBIJ-UHFFFAOYSA-N 0 0 377.473 4.616 50 0 GJAARN O=C(NC1CCCC1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000033257002 570404588 /nfs/dbraw/zinc/40/45/88/570404588.db2.gz WHKCKHWSGHJNHO-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN COc1ccccc1NC=C1c2ccccc2C(=O)N(c2cccc(C)c2)C1=O ZINC000006412730 570405495 /nfs/dbraw/zinc/40/54/95/570405495.db2.gz VKZJDQCWAUEPTP-HMMYKYKNSA-N 0 0 384.435 4.644 50 0 GJAARN Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ZINC000004794577 570406048 /nfs/dbraw/zinc/40/60/48/570406048.db2.gz VIGRJFNSOYZCGW-DAESXHAQSA-N 0 0 394.515 4.647 50 0 GJAARN CCC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 ZINC000022648362 570406291 /nfs/dbraw/zinc/40/62/91/570406291.db2.gz XJJDCUNGYFSOCK-OYHNWAKOSA-N 0 0 385.479 4.753 50 0 GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C)cc1F ZINC000033312589 570406448 /nfs/dbraw/zinc/40/64/48/570406448.db2.gz GSXMBPNZVYXBBI-UHFFFAOYSA-N 0 0 384.480 4.690 50 0 GJAARN CCc1nc(NC(=O)c2cccs2)sc1-c1nc(-c2ccccc2)no1 ZINC000033331277 570406723 /nfs/dbraw/zinc/40/67/23/570406723.db2.gz NBNDYJVWZUJFSK-UHFFFAOYSA-N 0 0 382.470 4.736 50 0 GJAARN O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012982325 570406959 /nfs/dbraw/zinc/40/69/59/570406959.db2.gz CUGJPXYVNKNLFC-UHFFFAOYSA-N 0 0 390.814 4.569 50 0 GJAARN CNC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCCCC2 ZINC000005055827 570407343 /nfs/dbraw/zinc/40/73/43/570407343.db2.gz FQKJWQURWQMGLC-UHFFFAOYSA-N 0 0 392.524 4.711 50 0 GJAARN COc1c(Cl)cc(C(=O)Oc2cccc(Br)c2)cc1Cl ZINC000004810888 570407399 /nfs/dbraw/zinc/40/73/99/570407399.db2.gz VMJDIDYNPPNSCB-UHFFFAOYSA-N 0 0 376.033 4.984 50 0 GJAARN CC(C)C(=O)Nc1cccc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000012985182 570408251 /nfs/dbraw/zinc/40/82/51/570408251.db2.gz BURFUPIRBMJZTB-MRXNPFEDSA-N 0 0 393.487 4.930 50 0 GJAARN O=c1c2c3c(sc2nc(NN=Cc2ccccc2)n1C1CCCCC1)CCC3 ZINC000033730587 570408411 /nfs/dbraw/zinc/40/84/11/570408411.db2.gz QHTDJNIEQRBQIU-UHFFFAOYSA-N 0 0 392.528 4.898 50 0 GJAARN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000004842171 570411065 /nfs/dbraw/zinc/41/10/65/570411065.db2.gz MRCJSILMWMDVFB-AWEZNQCLSA-N 0 0 385.464 4.552 50 0 GJAARN Cc1c(NC(=O)c2ccc(Br)o2)cccc1-c1nc2ncccc2o1 ZINC000004843354 570411349 /nfs/dbraw/zinc/41/13/49/570411349.db2.gz SQOKBWXOVCQSJH-UHFFFAOYSA-N 0 0 398.216 4.806 50 0 GJAARN CCc1ccc(NC(=O)c2sc3ncn(C4CCCC4)c(=O)c3c2C)cc1 ZINC000035672184 570411640 /nfs/dbraw/zinc/41/16/40/570411640.db2.gz STHRLVALMDFOAA-UHFFFAOYSA-N 0 0 381.501 4.696 50 0 GJAARN CCOc1ccccc1-c1noc(CCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000004867331 570413799 /nfs/dbraw/zinc/41/37/99/570413799.db2.gz ZDSAFYFXBCBCNO-UHFFFAOYSA-N 0 0 385.851 4.750 50 0 GJAARN CCCn1ccnc1SCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000025460344 570414375 /nfs/dbraw/zinc/41/43/75/570414375.db2.gz KJBNIPFFRWGDIO-UHFFFAOYSA-N 0 0 377.513 4.849 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000013002414 570414369 /nfs/dbraw/zinc/41/43/69/570414369.db2.gz FJRVZIRZRBUWOI-QGZVFWFLSA-N 0 0 390.439 4.563 50 0 GJAARN Cc1ccc(-c2nnc([C@H](C)Nc3cccc(N4CCOC4=O)c3C)o2)cc1C ZINC000123575772 570416670 /nfs/dbraw/zinc/41/66/70/570416670.db2.gz ZHORUSMIAIDMNW-INIZCTEOSA-N 0 0 392.459 4.792 50 0 GJAARN CCSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000004911416 570417314 /nfs/dbraw/zinc/41/73/14/570417314.db2.gz KFUAGCMAFCDGLQ-CQSZACIVSA-N 0 0 391.920 4.799 50 0 GJAARN O=C(CCc1ccco1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000013019490 570418989 /nfs/dbraw/zinc/41/89/89/570418989.db2.gz RSUXOLKUPSHIGK-UHFFFAOYSA-N 0 0 383.292 4.798 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2c(c1)OCO2 ZINC000004966782 570420104 /nfs/dbraw/zinc/42/01/04/570420104.db2.gz QYIMXRTUGGDJAN-UHFFFAOYSA-N 0 0 376.343 4.615 50 0 GJAARN Cc1cccc(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)n1 ZINC000026050092 570421861 /nfs/dbraw/zinc/42/18/61/570421861.db2.gz FVZWEMWHJWOGKT-UHFFFAOYSA-N 0 0 393.390 4.588 50 0 GJAARN C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc(Cl)c1 ZINC000013049344 570422826 /nfs/dbraw/zinc/42/28/26/570422826.db2.gz HYUWSJQXPFBMBN-CQSZACIVSA-N 0 0 397.862 4.746 50 0 GJAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005131918 570423378 /nfs/dbraw/zinc/42/33/78/570423378.db2.gz RLYZLIOBRGWLNJ-UHFFFAOYSA-N 0 0 382.391 4.934 50 0 GJAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1Br ZINC000006440937 570423835 /nfs/dbraw/zinc/42/38/35/570423835.db2.gz UJRRKRWWCXOPKI-UHFFFAOYSA-N 0 0 390.258 4.703 50 0 GJAARN COc1ccc(-c2nc(CSc3ncc4ccccn43)cs2)cc1OC ZINC000026370991 570424944 /nfs/dbraw/zinc/42/49/44/570424944.db2.gz UNCGZUYDRBPTGL-UHFFFAOYSA-N 0 0 383.498 4.767 50 0 GJAARN Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000001789722 570425046 /nfs/dbraw/zinc/42/50/46/570425046.db2.gz USUXSQILVNWQJI-UHFFFAOYSA-N 0 0 385.707 4.911 50 0 GJAARN Cc1ccc(OCCSc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)cc1 ZINC000001792231 570425178 /nfs/dbraw/zinc/42/51/78/570425178.db2.gz WWOQMMQWVPSKPN-ZDUSSCGKSA-N 0 0 386.542 4.589 50 0 GJAARN Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C ZINC000006452113 570425777 /nfs/dbraw/zinc/42/57/77/570425777.db2.gz VKQGOVGYNFVOIS-UHFFFAOYSA-N 0 0 399.487 4.896 50 0 GJAARN COCCCn1c(C)c(C(=O)NC2CCCCC2)cc1-c1ccc(OC)cc1 ZINC000005142116 570426003 /nfs/dbraw/zinc/42/60/03/570426003.db2.gz BUAPURQAKPKROG-UHFFFAOYSA-N 0 0 384.520 4.571 50 0 GJAARN CN(C)C(=O)[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1ccccc1 ZINC000026483573 570426254 /nfs/dbraw/zinc/42/62/54/570426254.db2.gz QIGYVRXTORCWBX-OAQYLSRUSA-N 0 0 391.540 4.673 50 0 GJAARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1sc2ccccc2c1Cl ZINC000005145005 570426400 /nfs/dbraw/zinc/42/64/00/570426400.db2.gz IDPKWJFWERSKMC-UHFFFAOYSA-N 0 0 378.906 4.845 50 0 GJAARN O=C(CN1c2ccccc2S[C@H](c2ccco2)CC1=O)Nc1ccc(F)cc1 ZINC000005053320 570426421 /nfs/dbraw/zinc/42/64/21/570426421.db2.gz PPIHYQFCEOOTHT-IBGZPJMESA-N 0 0 396.443 4.628 50 0 GJAARN CC(=O)Nc1ccc(F)c(NCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1 ZINC000026783177 570428899 /nfs/dbraw/zinc/42/88/99/570428899.db2.gz FLXULMHKKZOMCY-UHFFFAOYSA-N 0 0 382.435 4.934 50 0 GJAARN N=C1NC(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)S1 ZINC000005101599 570429189 /nfs/dbraw/zinc/42/91/89/570429189.db2.gz QKQDJPLBDNAQPH-ZSOIEALJSA-N 0 0 379.268 4.711 50 0 GJAARN CCCCC[C@@H](C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000239331357 570429258 /nfs/dbraw/zinc/42/92/58/570429258.db2.gz KNCJCDJSWFXAAO-NGRWLJPCSA-N 0 0 380.532 4.938 50 0 GJAARN CCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 ZINC000026843837 570429421 /nfs/dbraw/zinc/42/94/21/570429421.db2.gz NRGFCGMNTBLKCD-UHFFFAOYSA-N 0 0 398.267 4.708 50 0 GJAARN CC[C@H](C)c1ccccc1OCCOc1ccccc1/C=C1\SC(=N)NC1=O ZINC000005102356 570429461 /nfs/dbraw/zinc/42/94/61/570429461.db2.gz RBRWHLSOATUZHW-CPOQMQJTSA-N 0 0 396.512 4.797 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Cl ZINC000239433479 570430110 /nfs/dbraw/zinc/43/01/10/570430110.db2.gz XTGLIVITYKYLTH-ZSAUSMIDSA-N 0 0 392.248 5.500 50 0 GJAARN Cc1ccc(-n2nnc(-c3nc(-c4cccc(Cl)c4)cs3)c2N)cc1F ZINC000038486708 570430930 /nfs/dbraw/zinc/43/09/30/570430930.db2.gz PHPBKFFLMWZACD-UHFFFAOYSA-N 0 0 385.855 4.741 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000245170782 570434289 /nfs/dbraw/zinc/43/42/89/570434289.db2.gz XGDNAHHETPDYMY-UNMCSNQZSA-N 0 0 391.858 4.986 50 0 GJAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)C(C)C ZINC000027408995 570434494 /nfs/dbraw/zinc/43/44/94/570434494.db2.gz KPZPTUCRMSFCRI-WZONZLPQSA-N 0 0 388.511 4.780 50 0 GJAARN COc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027662788 570438774 /nfs/dbraw/zinc/43/87/74/570438774.db2.gz MYXSGAZOBQGZOU-UHFFFAOYSA-N 0 0 396.874 4.664 50 0 GJAARN O=c1c(Cc2ccccc2)c(O)cc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000005428346 570438977 /nfs/dbraw/zinc/43/89/77/570438977.db2.gz KMQGTBHDMPHKIX-UHFFFAOYSA-N 0 0 388.854 4.849 50 0 GJAARN Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccc3)CC2)c1C ZINC000054072981 570438962 /nfs/dbraw/zinc/43/89/62/570438962.db2.gz LAIRGCIHFMWSSL-UHFFFAOYSA-N 0 0 395.528 4.532 50 0 GJAARN CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000027663880 570439292 /nfs/dbraw/zinc/43/92/92/570439292.db2.gz IJSANSDZADJBNS-FQEVSTJZSA-N 0 0 386.923 4.696 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000006468267 570442812 /nfs/dbraw/zinc/44/28/12/570442812.db2.gz GZLLUFUUOFHFEG-CKEIUWERSA-N 0 0 398.532 4.602 50 0 GJAARN CCCCc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001909278 570442899 /nfs/dbraw/zinc/44/28/99/570442899.db2.gz VMDWVMJRGZYARS-OAQYLSRUSA-N 0 0 392.499 4.679 50 0 GJAARN CC(C)c1noc([C@@H](C)Sc2nnc(N3CCCCC3)n2-c2ccccc2)n1 ZINC000027812829 570443831 /nfs/dbraw/zinc/44/38/31/570443831.db2.gz AUSVLUXUKSNGSH-OAHLLOKOSA-N 0 0 398.536 4.617 50 0 GJAARN Cc1cc(C(=O)CSc2nccn2C2CC2)c(C)n1CCc1cccs1 ZINC000011894476 570444200 /nfs/dbraw/zinc/44/42/00/570444200.db2.gz FYEVGZANBSDIMX-UHFFFAOYSA-N 0 0 385.558 4.916 50 0 GJAARN Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)no1 ZINC000027852028 570444572 /nfs/dbraw/zinc/44/45/72/570444572.db2.gz FFIKGRLZGYINAS-STQMWFEESA-N 0 0 399.438 4.521 50 0 GJAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(OC(C)C)cc4)no3)CC2=O)cc1C ZINC000044435132 570446864 /nfs/dbraw/zinc/44/68/64/570446864.db2.gz CHFYJKIETMKZQJ-GOSISDBHSA-N 0 0 391.471 4.661 50 0 GJAARN Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2ccccc2o1 ZINC000006479962 570447889 /nfs/dbraw/zinc/44/78/89/570447889.db2.gz OMTRXAKTQPDICN-UHFFFAOYSA-N 0 0 398.875 4.613 50 0 GJAARN CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1C ZINC000027989985 570448364 /nfs/dbraw/zinc/44/83/64/570448364.db2.gz JHOZVGWGOQQVTE-UHFFFAOYSA-N 0 0 395.390 4.890 50 0 GJAARN CC(C)c1cc(C(=O)OCC(=O)N[C@H](C)c2cccs2)c(O)c(C(C)C)c1 ZINC000032956594 570449099 /nfs/dbraw/zinc/44/90/99/570449099.db2.gz MNFNYIZMSDBVHT-CQSZACIVSA-N 0 0 389.517 4.735 50 0 GJAARN CSCC[C@@H](NC(=O)c1ccc2nc(C)sc2c1)c1nc2ccccc2[nH]1 ZINC000223217040 570450585 /nfs/dbraw/zinc/45/05/85/570450585.db2.gz REDPMVREHAMLJW-QGZVFWFLSA-N 0 0 396.541 4.705 50 0 GJAARN CCN(C(=O)CCCOc1cc(C)c(OC(C)=O)c(C)c1C)C1CCCCC1 ZINC000005672086 570451020 /nfs/dbraw/zinc/45/10/20/570451020.db2.gz AAPRLNKTNVHWTO-UHFFFAOYSA-N 0 0 389.536 4.877 50 0 GJAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000011969418 570451447 /nfs/dbraw/zinc/45/14/47/570451447.db2.gz DUOHNAOPIPHMSF-UHFFFAOYSA-N 0 0 390.439 4.954 50 0 GJAARN CCCCC(=O)N(CCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035809309 570455030 /nfs/dbraw/zinc/45/50/30/570455030.db2.gz OZTMIMYUXAFELZ-UHFFFAOYSA-N 0 0 398.547 4.588 50 0 GJAARN Cc1cc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)ccc1Cl ZINC000028291795 570456404 /nfs/dbraw/zinc/45/64/04/570456404.db2.gz LCLKJNJOCXTWQP-UHFFFAOYSA-N 0 0 384.838 4.795 50 0 GJAARN CC(C)(C)c1ccc(OC[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000028297121 570457494 /nfs/dbraw/zinc/45/74/94/570457494.db2.gz LSAWKCRTZOFMIA-OAHLLOKOSA-N 0 0 392.421 4.793 50 0 GJAARN COc1cc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)ccc1OC(C)C ZINC000072274988 570458587 /nfs/dbraw/zinc/45/85/87/570458587.db2.gz NTMXXXGJDUENCH-UHFFFAOYSA-N 0 0 392.415 4.613 50 0 GJAARN Cc1cccc(-c2nc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)c1 ZINC000028404668 570458970 /nfs/dbraw/zinc/45/89/70/570458970.db2.gz HFSNEIYLNHOYDK-AWEZNQCLSA-N 0 0 385.851 4.721 50 0 GJAARN O=C(Nc1cccc(O)c1F)c1csc(-c2ccc(Br)s2)n1 ZINC000128670175 570461315 /nfs/dbraw/zinc/46/13/15/570461315.db2.gz DUUVEWOIZDQGOB-UHFFFAOYSA-N 0 0 399.266 4.731 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000028580920 570461531 /nfs/dbraw/zinc/46/15/31/570461531.db2.gz LCCSAZZGGCVONE-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN CC(C)c1cnc(SCc2nc3c4ccccc4oc3c(=O)[nH]2)n1C(C)C ZINC000128985972 570462388 /nfs/dbraw/zinc/46/23/88/570462388.db2.gz QTWPCNOGRPRSJM-UHFFFAOYSA-N 0 0 382.489 4.862 50 0 GJAARN CCn1c2ccccc2c2cc(N[C@H](C)C(=O)NCc3cccs3)ccc21 ZINC000028874633 570465089 /nfs/dbraw/zinc/46/50/89/570465089.db2.gz YYLQCCYEGKLXSZ-OAHLLOKOSA-N 0 0 377.513 4.993 50 0 GJAARN Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)c(C)o1 ZINC000042380181 570466399 /nfs/dbraw/zinc/46/63/99/570466399.db2.gz IKTJXYQHXPMISS-AWEZNQCLSA-N 0 0 385.464 4.574 50 0 GJAARN O=C(NCc1ccccn1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 ZINC000064472698 570466717 /nfs/dbraw/zinc/46/67/17/570466717.db2.gz IYQVOLZWKBVELH-UHFFFAOYSA-N 0 0 377.444 4.670 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1C ZINC000064473442 570467985 /nfs/dbraw/zinc/46/79/85/570467985.db2.gz LFCZTFLUGCQFGC-UHFFFAOYSA-N 0 0 383.451 4.931 50 0 GJAARN Fc1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000006531552 570468758 /nfs/dbraw/zinc/46/87/58/570468758.db2.gz NPLXDMVZJCVALT-UHFFFAOYSA-N 0 0 376.460 4.820 50 0 GJAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000006532057 570468832 /nfs/dbraw/zinc/46/88/32/570468832.db2.gz YOWQPDRDJUMVDZ-OAHLLOKOSA-N 0 0 393.512 4.576 50 0 GJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000006532056 570468868 /nfs/dbraw/zinc/46/88/68/570468868.db2.gz YOWQPDRDJUMVDZ-HNNXBMFYSA-N 0 0 393.512 4.576 50 0 GJAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005164296 570469791 /nfs/dbraw/zinc/46/97/91/570469791.db2.gz VVUPZNIMWNJEHN-XXBNENTESA-N 0 0 388.398 4.797 50 0 GJAARN CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000035882601 570471009 /nfs/dbraw/zinc/47/10/09/570471009.db2.gz KTQLOLSJZZPXLH-ZWKOTPCHSA-N 0 0 389.282 4.642 50 0 biogenic GJAARN Cc1ccccc1-n1c(S[C@@H]2CCCCCC2=O)nc2ccccc2c1=O ZINC000029328441 570472375 /nfs/dbraw/zinc/47/23/75/570472375.db2.gz JHEAFFBDDHOSFL-HXUWFJFHSA-N 0 0 378.497 4.688 50 0 GJAARN COc1ccc2ccccc2c1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000005164628 570472569 /nfs/dbraw/zinc/47/25/69/570472569.db2.gz KSWCIZGTJPSAEQ-ZRVKMLQASA-N 0 0 398.506 4.876 50 0 GJAARN Cc1c(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cnn1-c1ccccc1 ZINC000252498638 570474668 /nfs/dbraw/zinc/47/46/68/570474668.db2.gz RGOCRFBPIYOVAP-INIZCTEOSA-N 0 0 396.441 4.870 50 0 GJAARN O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccc(-c2ccccc2)cc1 ZINC000029538015 570475630 /nfs/dbraw/zinc/47/56/30/570475630.db2.gz UJQPTHJZHWELHR-QHCPKHFHSA-N 0 0 390.458 4.505 50 0 GJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)NC3CCC(C(F)(F)F)CC3)c12 ZINC000029614694 570477143 /nfs/dbraw/zinc/47/71/43/570477143.db2.gz XOTJSTYCLALPNF-UHFFFAOYSA-N 0 0 393.365 4.642 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)c12 ZINC000010577424 570482820 /nfs/dbraw/zinc/48/28/20/570482820.db2.gz UPDMHXLMHRQDSY-UHFFFAOYSA-N 0 0 379.416 4.524 50 0 GJAARN C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccc(-n2ccnc2)cc1 ZINC000030016244 570484392 /nfs/dbraw/zinc/48/43/92/570484392.db2.gz UMZGPEBPQBHYJP-CQSZACIVSA-N 0 0 392.846 4.672 50 0 GJAARN O=S(=O)(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1 ZINC000006587002 570484453 /nfs/dbraw/zinc/48/44/53/570484453.db2.gz DDRAOVYDCJMWFL-UHFFFAOYSA-N 0 0 380.494 4.688 50 0 GJAARN CCOCc1ccccc1CNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000030179389 570486743 /nfs/dbraw/zinc/48/67/43/570486743.db2.gz KZJOLMWCPZEQPE-UHFFFAOYSA-N 0 0 397.478 4.763 50 0 GJAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000030273804 570487798 /nfs/dbraw/zinc/48/77/98/570487798.db2.gz LGSCMNHKGXSDGR-LLVKDONJSA-N 0 0 385.514 4.629 50 0 GJAARN COC(=O)c1ccc(COC(=O)c2oc3ccccc3c2COC(C)C)cc1 ZINC000006598685 570489613 /nfs/dbraw/zinc/48/96/13/570489613.db2.gz BDETZQQMERXIHZ-UHFFFAOYSA-N 0 0 382.412 4.501 50 0 GJAARN CCCOCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000022667777 570490608 /nfs/dbraw/zinc/49/06/08/570490608.db2.gz UTMXWLALXJXFKL-UHFFFAOYSA-N 0 0 383.879 4.554 50 0 GJAARN c1ccc([C@@H](NCc2cccc(OCc3ccccn3)c2)c2ccccn2)cc1 ZINC000030544689 570490986 /nfs/dbraw/zinc/49/09/86/570490986.db2.gz KBOAZTGUBJJFAQ-RUZDIDTESA-N 0 0 381.479 4.935 50 0 GJAARN COc1ccc(Cl)cc1C1=N/C(=C\c2cccc(Cl)c2Cl)C(=O)O1 ZINC000005173891 570492568 /nfs/dbraw/zinc/49/25/68/570492568.db2.gz DECVVPKVKJLNDV-QPEQYQDCSA-N 0 0 382.630 5.000 50 0 GJAARN C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000005174739 570492945 /nfs/dbraw/zinc/49/29/45/570492945.db2.gz TUCKLSVIRQSKFR-LLVKDONJSA-N 0 0 393.846 4.923 50 0 GJAARN COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Cl)cn32)cc1 ZINC000027024743 570496067 /nfs/dbraw/zinc/49/60/67/570496067.db2.gz FCUSMZJKUXGHFG-UHFFFAOYSA-N 0 0 377.831 4.916 50 0 GJAARN O=S(=O)(C1=Cc2ccccc2CC1)N(Cc1ccco1)Cc1cccs1 ZINC000006606871 570498224 /nfs/dbraw/zinc/49/82/24/570498224.db2.gz YXGBXUAKIVZPHU-UHFFFAOYSA-N 0 0 385.510 4.660 50 0 GJAARN CCN1c2ccc(NC(=O)CSc3ccc(C)cc3)c3cccc(c23)C1=O ZINC000005190712 570499019 /nfs/dbraw/zinc/49/90/19/570499019.db2.gz KESFQACBTLXLSY-UHFFFAOYSA-N 0 0 376.481 4.859 50 0 GJAARN CSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccc(Cl)cc1-2 ZINC000007041202 570500408 /nfs/dbraw/zinc/50/04/08/570500408.db2.gz XDCRLFOKPNGIFQ-OJXHRBAXSA-N 0 0 382.876 4.758 50 0 GJAARN C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 ZINC000005200013 570501098 /nfs/dbraw/zinc/50/10/98/570501098.db2.gz NWOWVUGGDWBXLI-OAHLLOKOSA-N 0 0 392.421 4.674 50 0 GJAARN O=C(NCCCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000006610926 570504189 /nfs/dbraw/zinc/50/41/89/570504189.db2.gz NHLDKLKBBLZJDJ-UHFFFAOYSA-N 0 0 387.508 4.963 50 0 GJAARN O=c1c2cc(Cl)ccc2scc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000005202475 570504307 /nfs/dbraw/zinc/50/43/07/570504307.db2.gz VDTQOMBWIPQBCW-QPJJXVBHSA-N 0 0 396.943 4.750 50 0 GJAARN CC[C@H](C)NC(=O)c1cnc(-c2cccc(C)c2)nc1N(C)Cc1ccccc1 ZINC000035988672 570504716 /nfs/dbraw/zinc/50/47/16/570504716.db2.gz FICLZFKONNQGBV-SFHVURJKSA-N 0 0 388.515 4.617 50 0 GJAARN CCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000005200779 570504902 /nfs/dbraw/zinc/50/49/02/570504902.db2.gz HLGIGYBKCRYQEM-UHFFFAOYSA-N 0 0 386.879 4.550 50 0 GJAARN C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005208901 570506947 /nfs/dbraw/zinc/50/69/47/570506947.db2.gz DHJMUDHZWHCPQY-INIZCTEOSA-N 0 0 385.423 4.810 50 0 GJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1C ZINC000005210414 570507361 /nfs/dbraw/zinc/50/73/61/570507361.db2.gz SMZBVPJICZPPJY-HNNXBMFYSA-N 0 0 399.516 4.646 50 0 GJAARN COc1cccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 ZINC000006623876 570508083 /nfs/dbraw/zinc/50/80/83/570508083.db2.gz NPLPYPZIYVJJBT-UHFFFAOYSA-N 0 0 391.423 4.654 50 0 biogenic GJAARN CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002720039 570508263 /nfs/dbraw/zinc/50/82/63/570508263.db2.gz DZUROFHJTRSGPT-JTQLQIEISA-N 0 0 397.363 4.534 50 0 GJAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc3ccccc32)cc1 ZINC000005215922 570512383 /nfs/dbraw/zinc/51/23/83/570512383.db2.gz NGCJCEYVECCRLA-UHFFFAOYSA-N 0 0 375.424 4.618 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)c(C)n2C)n1 ZINC000064668246 570514243 /nfs/dbraw/zinc/51/42/43/570514243.db2.gz MGBFMUUWURFIPD-UHFFFAOYSA-N 0 0 395.937 4.528 50 0 GJAARN CC(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 ZINC000006643835 570514656 /nfs/dbraw/zinc/51/46/56/570514656.db2.gz WTEMRSNFEWAMQH-UHFFFAOYSA-N 0 0 398.256 4.822 50 0 GJAARN Cc1sc(NC(=O)Nc2ccc(C)cc2)c(C(N)=O)c1-c1ccc(F)cc1 ZINC000002773662 570515405 /nfs/dbraw/zinc/51/54/05/570515405.db2.gz ZZOHHAXEBJGVFJ-UHFFFAOYSA-N 0 0 383.448 4.914 50 0 GJAARN COc1ccc(OC)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 ZINC000006649067 570515780 /nfs/dbraw/zinc/51/57/80/570515780.db2.gz MITQPSMXAGPXRL-UHFFFAOYSA-N 0 0 394.905 4.698 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2F)cc1NC(=O)c1ccccc1C ZINC000032998359 570517608 /nfs/dbraw/zinc/51/76/08/570517608.db2.gz PPKRMMCPIYEOPR-UHFFFAOYSA-N 0 0 378.403 4.647 50 0 GJAARN NC(=O)c1ccccc1NC(=O)c1sc2cc(OC(F)F)ccc2c1Cl ZINC000002793175 570518071 /nfs/dbraw/zinc/51/80/71/570518071.db2.gz GLNLMDMOMLJEDV-UHFFFAOYSA-N 0 0 396.802 4.507 50 0 GJAARN CCOc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000006648924 570518276 /nfs/dbraw/zinc/51/82/76/570518276.db2.gz KGNVTMBXCOVQDJ-UHFFFAOYSA-N 0 0 389.451 4.552 50 0 GJAARN Cc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033048614 570518897 /nfs/dbraw/zinc/51/88/97/570518897.db2.gz YJACDOCBIQBXOV-FQEVSTJZSA-N 0 0 387.414 4.704 50 0 GJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(Br)c(C)c1 ZINC000033087355 570519876 /nfs/dbraw/zinc/51/98/76/570519876.db2.gz ZERWPTJJHRWOPU-OAHLLOKOSA-N 0 0 392.297 4.985 50 0 GJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 ZINC000606422428 570522724 /nfs/dbraw/zinc/52/27/24/570522724.db2.gz CODJBDNNVZHASO-UHFFFAOYSA-N 0 0 389.405 4.748 50 0 GJAARN C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1)OCCCO3 ZINC000006662753 570526016 /nfs/dbraw/zinc/52/60/16/570526016.db2.gz LJJPWPFWDDPZJZ-INIZCTEOSA-N 0 0 379.500 4.905 50 0 GJAARN Cc1noc(C(F)(F)F)c1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000072308023 570526297 /nfs/dbraw/zinc/52/62/97/570526297.db2.gz MHSSQLAKPLEIPL-CYBMUJFWSA-N 0 0 388.389 4.952 50 0 GJAARN CCOc1ccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccc(C)cc2)cc1 ZINC000002995260 570526877 /nfs/dbraw/zinc/52/68/77/570526877.db2.gz IZNIQWWWYSHNBT-OAQYLSRUSA-N 0 0 394.496 4.506 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(F)ccc3F)s2)c1 ZINC000007979388 570527338 /nfs/dbraw/zinc/52/73/38/570527338.db2.gz RXTJVFHOGGTTGQ-UHFFFAOYSA-N 0 0 392.456 4.599 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000005256037 570530928 /nfs/dbraw/zinc/53/09/28/570530928.db2.gz IXNSZIVQFHFLEU-NRFANRHFSA-N 0 0 379.435 4.663 50 0 GJAARN COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000005256080 570530966 /nfs/dbraw/zinc/53/09/66/570530966.db2.gz PWHIOKSHCLYWJQ-HXUWFJFHSA-N 0 0 381.863 4.787 50 0 GJAARN C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc(F)cc1Cl ZINC000005263810 570532071 /nfs/dbraw/zinc/53/20/71/570532071.db2.gz FXRNFRZVBPTHGV-LBPRGKRZSA-N 0 0 389.883 4.999 50 0 GJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccccc3Cl)n2)cc1 ZINC000064747540 570532247 /nfs/dbraw/zinc/53/22/47/570532247.db2.gz FBGLRXGEFIFZTC-KRWDZBQOSA-N 0 0 398.850 4.768 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)cc1 ZINC000064747697 570532288 /nfs/dbraw/zinc/53/22/88/570532288.db2.gz XRHRAXQPGRGAFH-KRWDZBQOSA-N 0 0 384.386 4.692 50 0 GJAARN O=C(c1ccc(F)cc1)N(Cc1ccccn1)c1nc2c(cccc2F)s1 ZINC000005264934 570532475 /nfs/dbraw/zinc/53/24/75/570532475.db2.gz WWHAPCPPUYVQBY-UHFFFAOYSA-N 0 0 381.407 4.817 50 0 GJAARN O=c1nc(SCc2cccc3ccccc32)c2c(n1Cc1cccnc1)CCC2 ZINC000005264389 570532553 /nfs/dbraw/zinc/53/25/53/570532553.db2.gz PKAAIYCBFKKXOT-UHFFFAOYSA-N 0 0 399.519 4.621 50 0 GJAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2ccc(Cl)cc2)n1 ZINC000064748028 570532723 /nfs/dbraw/zinc/53/27/23/570532723.db2.gz YUKAYVNMMZVLBB-UHFFFAOYSA-N 0 0 395.890 4.721 50 0 GJAARN CC1CCN(c2ccc(-c3ccc(NC(=O)c4cccs4)cc3)nn2)CC1 ZINC000005259452 570532967 /nfs/dbraw/zinc/53/29/67/570532967.db2.gz WGMCYWDDCAUFFG-UHFFFAOYSA-N 0 0 378.501 4.694 50 0 GJAARN Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2 ZINC000000751770 570533766 /nfs/dbraw/zinc/53/37/66/570533766.db2.gz VGYHECUZUJAEFW-UHFFFAOYSA-N 0 0 384.483 4.734 50 0 GJAARN COc1ccc2oc(=O)c(-c3csc(Nc4ccc(C(C)=O)cc4)n3)cc2c1 ZINC000001184385 570535415 /nfs/dbraw/zinc/53/54/15/570535415.db2.gz AJMVIZTUUMRDSY-UHFFFAOYSA-N 0 0 392.436 4.871 50 0 GJAARN CSc1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000022031971 570537819 /nfs/dbraw/zinc/53/78/19/570537819.db2.gz VQGMMBSQKWAIIZ-UHFFFAOYSA-N 0 0 380.479 4.745 50 0 GJAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2)C(=O)CC(C)(C)C)C1 ZINC000006696323 570538966 /nfs/dbraw/zinc/53/89/66/570538966.db2.gz UCZMLRCSHZTFEQ-HXUWFJFHSA-N 0 0 378.516 4.953 50 0 GJAARN O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)N1CCCCC1 ZINC000003656371 570539446 /nfs/dbraw/zinc/53/94/46/570539446.db2.gz UFDZACYACAMOFS-KRWDZBQOSA-N 0 0 388.305 4.689 50 0 GJAARN O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccco1)Cc1ccccc1F ZINC000036103001 570540057 /nfs/dbraw/zinc/54/00/57/570540057.db2.gz CSYDIXCJKBOFQE-SFHVURJKSA-N 0 0 389.854 4.514 50 0 GJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3cccc(Cl)c3)s2)n1 ZINC000064769375 570541648 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ZINC000006811429 570616232 /nfs/dbraw/zinc/61/62/32/570616232.db2.gz QMSSPNWGHPNEEB-UHFFFAOYSA-N 0 0 393.826 4.882 50 0 GJAARN CCCCn1nc(NC(=O)COc2ccccc2)c2cc3cc(C)ccc3nc21 ZINC000005501431 570618856 /nfs/dbraw/zinc/61/88/56/570618856.db2.gz VUOCGMHEVATLNM-UHFFFAOYSA-N 0 0 388.471 4.711 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000064967868 570619011 /nfs/dbraw/zinc/61/90/11/570619011.db2.gz RXZSPRVGZKGDNP-UHFFFAOYSA-N 0 0 388.423 4.688 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1cccs1 ZINC000005500903 570619129 /nfs/dbraw/zinc/61/91/29/570619129.db2.gz RPGASFVGBMBKCI-WEYGHZABSA-N 0 0 385.529 4.655 50 0 GJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)C2=CCCC2)C3)c1 ZINC000012166010 570619507 /nfs/dbraw/zinc/61/95/07/570619507.db2.gz NGVHRZLAXZCLQB-IBGZPJMESA-N 0 0 393.458 4.534 50 0 GJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(CC)cc3)cc2OC)s1 ZINC000033008417 570620086 /nfs/dbraw/zinc/62/00/86/570620086.db2.gz CZXNNHQTMPEPHM-UHFFFAOYSA-N 0 0 398.488 4.860 50 0 GJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012196884 570623102 /nfs/dbraw/zinc/62/31/02/570623102.db2.gz LTMPRLUDPLXDPX-XXBNENTESA-N 0 0 390.439 4.848 50 0 GJAARN COC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC000006821386 570623665 /nfs/dbraw/zinc/62/36/65/570623665.db2.gz SQTXNCHWRJFJAO-UHFFFAOYSA-N 0 0 387.892 4.551 50 0 GJAARN CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1ccc(Cl)cc1 ZINC000004274936 570625991 /nfs/dbraw/zinc/62/59/91/570625991.db2.gz RUKZINDYPMOZPL-UHFFFAOYSA-N 0 0 383.908 4.867 50 0 GJAARN Cc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033012567 570627688 /nfs/dbraw/zinc/62/76/88/570627688.db2.gz JJRYLOBTJWXZEI-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](C)O)C1CC1 ZINC000036345891 570628008 /nfs/dbraw/zinc/62/80/08/570628008.db2.gz ZAWIYHIDDHTKPZ-GOSISDBHSA-N 0 0 391.515 4.627 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(Cc3ccccc3)[nH]2)c1 ZINC000004492344 570628350 /nfs/dbraw/zinc/62/83/50/570628350.db2.gz ZBGCSSWBMXEPHV-MRXNPFEDSA-N 0 0 393.512 4.631 50 0 GJAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000005538559 570628395 /nfs/dbraw/zinc/62/83/95/570628395.db2.gz XWEREISSIHWTLZ-KRWDZBQOSA-N 0 0 392.455 4.759 50 0 GJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(Cl)cc2c1OCOC2 ZINC000005538170 570628436 /nfs/dbraw/zinc/62/84/36/570628436.db2.gz OIWSDTDIXJKACX-UHFFFAOYSA-N 0 0 385.803 4.527 50 0 GJAARN COc1ccc(OC)c(CN2CCCn3cccc3[C@H]2c2ccccc2OC)c1 ZINC000036347721 570630234 /nfs/dbraw/zinc/63/02/34/570630234.db2.gz QHEOOPIWPUJYHP-XMMPIXPASA-N 0 0 392.499 4.509 50 0 GJAARN CC(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000005545982 570630795 /nfs/dbraw/zinc/63/07/95/570630795.db2.gz RPHFJGWHINDRFW-UHFFFAOYSA-N 0 0 377.532 4.913 50 0 GJAARN Cc1cccc(-c2nc(C)c(C(C)C)c(N3CCN(C(=O)CC(C)C)CC3)n2)c1 ZINC000006834377 570636977 /nfs/dbraw/zinc/63/69/77/570636977.db2.gz MJJZLCBRZYPFPG-UHFFFAOYSA-N 0 0 394.563 4.579 50 0 GJAARN Cc1cccnc1C[C@H](C)NC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000012307882 570639758 /nfs/dbraw/zinc/63/97/58/570639758.db2.gz PUEDQWBVAOBKGJ-HNNXBMFYSA-N 0 0 389.430 4.698 50 0 GJAARN COc1ccc(OC)c(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000006839897 570641821 /nfs/dbraw/zinc/64/18/21/570641821.db2.gz MGQCHWAWCCZOJT-UHFFFAOYSA-N 0 0 377.868 4.807 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)c1cccc2c1SCCC2=O ZINC000006841451 570643015 /nfs/dbraw/zinc/64/30/15/570643015.db2.gz NZDTWPFWHRVRTF-UHFFFAOYSA-N 0 0 376.275 4.688 50 0 GJAARN O=C(NC(c1ccccc1)c1ccccc1)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000012390575 570643041 /nfs/dbraw/zinc/64/30/41/570643041.db2.gz NPXVHUAYHDPIGF-UHFFFAOYSA-N 0 0 394.434 4.737 50 0 GJAARN CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036365637 570644613 /nfs/dbraw/zinc/64/46/13/570644613.db2.gz LAEXHYQEYMXCEI-JOCHJYFZSA-N 0 0 390.527 4.906 50 0 GJAARN COc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 ZINC000006849804 570647578 /nfs/dbraw/zinc/64/75/78/570647578.db2.gz PNIUJBSQAJXHPI-KRWDZBQOSA-N 0 0 398.509 4.820 50 0 GJAARN CNC(=O)c1ccccc1NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)oc1C ZINC000012372390 570647731 /nfs/dbraw/zinc/64/77/31/570647731.db2.gz PWARWXUEVHKWIH-UHFFFAOYSA-N 0 0 392.499 4.668 50 0 GJAARN Cc1occc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000012372511 570648089 /nfs/dbraw/zinc/64/80/89/570648089.db2.gz KQDKUQVZABNEAJ-QFIPXVFZSA-N 0 0 394.902 4.789 50 0 GJAARN CCC[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(F)cc1 ZINC000227154823 570648814 /nfs/dbraw/zinc/64/88/14/570648814.db2.gz YQSKSJTXFOIYLG-QGZVFWFLSA-N 0 0 382.435 4.803 50 0 GJAARN CC(=O)Nc1nc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cs1 ZINC000006851424 570649000 /nfs/dbraw/zinc/64/90/00/570649000.db2.gz PVNHCFIMVRDKLT-UHFFFAOYSA-N 0 0 388.518 4.741 50 0 GJAARN O=C1N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)Nc2sc3c(c21)CCCC3 ZINC000012374681 570649125 /nfs/dbraw/zinc/64/91/25/570649125.db2.gz PWPUXSGFVYNZGM-QGZVFWFLSA-N 0 0 384.892 4.525 50 0 GJAARN CCc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)CCN4C(C)=O)cc2)cc1 ZINC000065027018 570649828 /nfs/dbraw/zinc/64/98/28/570649828.db2.gz NZXIJPYURMSFLM-UHFFFAOYSA-N 0 0 398.506 4.755 50 0 GJAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cnc(N4CCCC4)nc3)cc2)cc1 ZINC000065025481 570650213 /nfs/dbraw/zinc/65/02/13/570650213.db2.gz WBDRESYRZHGGSY-GOSISDBHSA-N 0 0 386.499 4.543 50 0 GJAARN Cc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000041155486 570650215 /nfs/dbraw/zinc/65/02/15/570650215.db2.gz KYZTUSQMQRRIPS-UHFFFAOYSA-N 0 0 387.414 4.781 50 0 GJAARN Cc1ccc(SCCC(=O)NCc2ccc(N3CCC(C)CC3)nc2)cc1C ZINC000059117719 570650336 /nfs/dbraw/zinc/65/03/36/570650336.db2.gz PETIQGJNKHMAIF-UHFFFAOYSA-N 0 0 397.588 4.733 50 0 GJAARN COc1cc(CN2CCC[C@H](C(=O)c3sccc3C)C2)cc(Cl)c1O ZINC000012385816 570650719 /nfs/dbraw/zinc/65/07/19/570650719.db2.gz JGCURWMSQCMXSV-AWEZNQCLSA-N 0 0 379.909 4.519 50 0 GJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NC2CC2)cc1 ZINC000012419721 570657679 /nfs/dbraw/zinc/65/76/79/570657679.db2.gz YTLWEDLLZIWACU-UHFFFAOYSA-N 0 0 388.876 4.711 50 0 GJAARN Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)c(C)c1 ZINC000169755241 570658934 /nfs/dbraw/zinc/65/89/34/570658934.db2.gz CBBBOYPRWOYJTG-ZDUSSCGKSA-N 0 0 385.826 4.666 50 0 GJAARN CSc1cccc(NC(=O)NCCc2nc3cccnc3n2C2CCCC2)c1 ZINC000033025550 570660126 /nfs/dbraw/zinc/66/01/26/570660126.db2.gz JMXVVASNEZGYSD-UHFFFAOYSA-N 0 0 395.532 4.633 50 0 GJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2oc1-c1ccccc1 ZINC000005245796 570660253 /nfs/dbraw/zinc/66/02/53/570660253.db2.gz IRTGKBDHGLDTGW-UHFFFAOYSA-N 0 0 398.414 4.808 50 0 GJAARN CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1 ZINC000005311524 570661682 /nfs/dbraw/zinc/66/16/82/570661682.db2.gz CEMZRYNBWHAVHR-UHFFFAOYSA-N 0 0 397.891 4.961 50 0 GJAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc12 ZINC000000846903 570661785 /nfs/dbraw/zinc/66/17/85/570661785.db2.gz FRECHKISTLIPPC-LBPRGKRZSA-N 0 0 391.345 4.526 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)s1 ZINC000005359902 570662459 /nfs/dbraw/zinc/66/24/59/570662459.db2.gz KYHTZBIQCFBYIY-UHFFFAOYSA-N 0 0 375.544 4.995 50 0 GJAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(C)n1-c1ccccc1C ZINC000005619477 570669383 /nfs/dbraw/zinc/66/93/83/570669383.db2.gz QHZXVKSBBDZBCS-UHFFFAOYSA-N 0 0 381.501 4.778 50 0 GJAARN COc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000065061096 570669718 /nfs/dbraw/zinc/66/97/18/570669718.db2.gz HBXMGYDXFCUWCK-UHFFFAOYSA-N 0 0 389.430 4.720 50 0 GJAARN O=C(CN(c1ccc(Br)cc1)C1=NCCCS1)c1cccs1 ZINC000004615151 570671573 /nfs/dbraw/zinc/67/15/73/570671573.db2.gz DEJXVCXKEAGOAG-UHFFFAOYSA-N 0 0 395.347 4.693 50 0 GJAARN Cc1cccc(CNC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 ZINC000032579158 570675240 /nfs/dbraw/zinc/67/52/40/570675240.db2.gz ITHWDMFARZVVIQ-UHFFFAOYSA-N 0 0 399.450 4.554 50 0 GJAARN Cc1ccccc1CNC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000032579167 570675365 /nfs/dbraw/zinc/67/53/65/570675365.db2.gz SRRUMKMAYJAFSN-UHFFFAOYSA-N 0 0 399.450 4.554 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@@H](C)C2)cc1C ZINC000012437934 570676173 /nfs/dbraw/zinc/67/61/73/570676173.db2.gz JEIZCJHLJPUSNJ-MRXNPFEDSA-N 0 0 394.540 4.921 50 0 GJAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000012441121 570677144 /nfs/dbraw/zinc/67/71/44/570677144.db2.gz ODYYFSYJPQHSKF-UHFFFAOYSA-N 0 0 389.499 4.563 50 0 GJAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441716 570677177 /nfs/dbraw/zinc/67/71/77/570677177.db2.gz QXRUMGMBDPULTJ-UHFFFAOYSA-N 0 0 396.422 4.835 50 0 GJAARN CCc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032578495 570677580 /nfs/dbraw/zinc/67/75/80/570677580.db2.gz NMXGKBITUCIIRK-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3F)cc2)n1 ZINC000032578609 570677882 /nfs/dbraw/zinc/67/78/82/570677882.db2.gz HSPZXWIVPITVRI-UHFFFAOYSA-N 0 0 389.814 4.670 50 0 GJAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 ZINC000006882257 570678000 /nfs/dbraw/zinc/67/80/00/570678000.db2.gz IYCVWZWLCQNUFO-UYAOXDASSA-N 0 0 391.540 4.627 50 0 GJAARN CC(C)(C)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000004339976 570678256 /nfs/dbraw/zinc/67/82/56/570678256.db2.gz RPWBBNJXKNSLPS-UHFFFAOYSA-N 0 0 390.391 4.518 50 0 biogenic GJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000032593619 570678938 /nfs/dbraw/zinc/67/89/38/570678938.db2.gz TVQDDRBNIFOBKF-UHFFFAOYSA-N 0 0 396.251 4.672 50 0 GJAARN COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c2cccnc12 ZINC000032593295 570679060 /nfs/dbraw/zinc/67/90/60/570679060.db2.gz TWTFVGPNOYNCTP-UHFFFAOYSA-N 0 0 377.227 4.568 50 0 GJAARN COc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1 ZINC000032593708 570679600 /nfs/dbraw/zinc/67/96/00/570679600.db2.gz XHMBSMSLYYRICH-UHFFFAOYSA-N 0 0 389.455 4.864 50 0 GJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 ZINC000008511405 570680974 /nfs/dbraw/zinc/68/09/74/570680974.db2.gz ZJBLADDSGKZYJR-UHFFFAOYSA-N 0 0 389.407 4.540 50 0 biogenic GJAARN Cc1noc(C)c1CSCC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000036397111 570681264 /nfs/dbraw/zinc/68/12/64/570681264.db2.gz QIHBMWLFMUERRM-UHFFFAOYSA-N 0 0 393.512 4.858 50 0 GJAARN CCOc1cccc2cc(C(=O)Nc3nnc(Cc4ccc(C)cc4C)o3)oc21 ZINC000008923035 570683631 /nfs/dbraw/zinc/68/36/31/570683631.db2.gz RRAGVDAPPWUZEZ-UHFFFAOYSA-N 0 0 391.427 4.674 50 0 GJAARN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)cc1 ZINC000012582775 570684544 /nfs/dbraw/zinc/68/45/44/570684544.db2.gz TUDYIQJJMHDTNA-NRFANRHFSA-N 0 0 394.515 4.728 50 0 GJAARN O=C(c1cc(-c2cccc(Cl)c2)no1)N(CC(F)(F)F)c1ccccn1 ZINC000154689722 570685310 /nfs/dbraw/zinc/68/53/10/570685310.db2.gz CHYNRCLANKPGKU-UHFFFAOYSA-N 0 0 381.741 4.599 50 0 GJAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CC(C)C)C3)cc2)c1 ZINC000012590476 570687147 /nfs/dbraw/zinc/68/71/47/570687147.db2.gz NSOLNPZTHBMFJK-FQEVSTJZSA-N 0 0 394.515 4.585 50 0 GJAARN O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085440 570689185 /nfs/dbraw/zinc/68/91/85/570689185.db2.gz NBPCBBIDIOMKTL-UHFFFAOYSA-N 0 0 395.864 4.626 50 0 GJAARN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cnn(-c3ccc(C)cc3)c2)C1 ZINC000055368539 570692765 /nfs/dbraw/zinc/69/27/65/570692765.db2.gz YGLIJFMTKOZJDB-IBGZPJMESA-N 0 0 379.529 4.646 50 0 GJAARN CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)c2cc3oc(C)cc3n21 ZINC000006894263 570693803 /nfs/dbraw/zinc/69/38/03/570693803.db2.gz QHHMBTCKEYATRE-UHFFFAOYSA-N 0 0 394.500 4.694 50 0 GJAARN COc1ccc2oc(-c3noc(-c4cccc(NC(C)=O)c4C)n3)c(C)c2c1 ZINC000065097238 570695563 /nfs/dbraw/zinc/69/55/63/570695563.db2.gz SKEMXDOAAFPWGI-UHFFFAOYSA-N 0 0 377.400 4.734 50 0 GJAARN COc1ccccc1NC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C(C)(C)C ZINC000012654132 570695971 /nfs/dbraw/zinc/69/59/71/570695971.db2.gz WZISXDYDAFQCGA-UHFFFAOYSA-N 0 0 394.475 4.886 50 0 GJAARN CC[C@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000013807256 570697618 /nfs/dbraw/zinc/69/76/18/570697618.db2.gz WWQLNDMYYBVNLM-IRXDYDNUSA-N 0 0 377.488 4.612 50 0 GJAARN O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1c(F)cccc1Cl ZINC000012711633 570702572 /nfs/dbraw/zinc/70/25/72/570702572.db2.gz KRKPCQYZSGVBEH-INIZCTEOSA-N 0 0 387.817 4.611 50 0 GJAARN C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000006916750 570703077 /nfs/dbraw/zinc/70/30/77/570703077.db2.gz ZZBJHRWKHJCLHM-GFCCVEGCSA-N 0 0 390.277 4.570 50 0 GJAARN C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000883892 570704760 /nfs/dbraw/zinc/70/47/60/570704760.db2.gz RNFVNOKVFKIIPT-ZDUSSCGKSA-N 0 0 395.450 4.656 50 0 GJAARN CC[C@@H](C)N1C(=O)CN(C2CCCCCC2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000006921315 570706550 /nfs/dbraw/zinc/70/65/50/570706550.db2.gz GDSARAZBDGCFGA-QRWLVFNGSA-N 0 0 376.928 4.573 50 0 GJAARN O=C(COc1ccc(Cl)cc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219316333 570707134 /nfs/dbraw/zinc/70/71/34/570707134.db2.gz SRSFAQIMPRXPBQ-SFHVURJKSA-N 0 0 397.874 4.704 50 0 GJAARN Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000065136868 570707889 /nfs/dbraw/zinc/70/78/89/570707889.db2.gz VLEYSOURPHSDJR-HXUWFJFHSA-N 0 0 393.531 4.644 50 0 GJAARN Cn1nccc1-c1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 ZINC000065137236 570708124 /nfs/dbraw/zinc/70/81/24/570708124.db2.gz YRSKEEQJABNDBF-UHFFFAOYSA-N 0 0 381.233 4.567 50 0 GJAARN Cc1c(-c2nsc(Nc3ccc(Cl)cc3)n2)nnn1-c1cccc(F)c1 ZINC000065134771 570709058 /nfs/dbraw/zinc/70/90/58/570709058.db2.gz CDDRMSUOMGZJMD-UHFFFAOYSA-N 0 0 386.843 4.630 50 0 GJAARN Cc1c(-c2nsc(Nc3ccc(C)c(C)c3)n2)nnn1-c1cccc(F)c1 ZINC000065134796 570709112 /nfs/dbraw/zinc/70/91/12/570709112.db2.gz UINQGTGQNGADLK-UHFFFAOYSA-N 0 0 380.452 4.594 50 0 GJAARN Cc1ccc(C)c(C(=O)N2CCC[C@@H](c3ccnc(-c4cccc(F)c4)n3)C2)c1 ZINC000065135702 570709442 /nfs/dbraw/zinc/70/94/42/570709442.db2.gz RKXWSLVAVXKVLD-LJQANCHMSA-N 0 0 389.474 4.919 50 0 GJAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)cc1 ZINC000065135490 570709453 /nfs/dbraw/zinc/70/94/53/570709453.db2.gz IVFGSIBFKRWXQI-QGZVFWFLSA-N 0 0 393.437 4.750 50 0 GJAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1 ZINC000065135363 570709585 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CNC(=O)c1cccc(Oc2nc(C3CC3)nc3sc4c(c32)CCCC4)c1 ZINC000058168021 570714355 /nfs/dbraw/zinc/71/43/55/570714355.db2.gz IMBBRNUFHVMZAW-UHFFFAOYSA-N 0 0 379.485 4.599 50 0 GJAARN COc1ccccc1NC(=O)c1cc(Br)c(Br)s1 ZINC000012794894 570715214 /nfs/dbraw/zinc/71/52/14/570715214.db2.gz JXNVHJHNNPPTPC-UHFFFAOYSA-N 0 0 391.084 4.534 50 0 GJAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=S)Nc1ccccc1)CC(=O)N2 ZINC000058196780 570718436 /nfs/dbraw/zinc/71/84/36/570718436.db2.gz KRTVGMGCDYZKKR-QFIPXVFZSA-N 0 0 387.508 4.736 50 0 GJAARN Cc1cc(C)cc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)c1 ZINC000041076973 570719366 /nfs/dbraw/zinc/71/93/66/570719366.db2.gz HQJTWCMSXJNRLW-UHFFFAOYSA-N 0 0 377.488 4.835 50 0 GJAARN c1nc2nc(-c3ccccc3)cc(N(Cc3ccccc3)Cc3ccccc3)n2n1 ZINC000002506054 570720334 /nfs/dbraw/zinc/72/03/34/570720334.db2.gz XDFAXRPVEYKSDY-UHFFFAOYSA-N 0 0 391.478 4.998 50 0 GJAARN CCCn1c(-c2cccc(C(=O)NCC3CCCCC3)c2)nc2cccnc21 ZINC000065172836 570721145 /nfs/dbraw/zinc/72/11/45/570721145.db2.gz 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570795614 /nfs/dbraw/zinc/79/56/14/570795614.db2.gz JEBRCAJCKQTDKO-NSHDSACASA-N 0 0 379.407 4.665 50 0 GJAARN CCOCc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000018047826 570798279 /nfs/dbraw/zinc/79/82/79/570798279.db2.gz ZARZXPJHXJYETD-INIZCTEOSA-N 0 0 389.455 4.646 50 0 GJAARN CCCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000065322355 570800116 /nfs/dbraw/zinc/80/01/16/570800116.db2.gz DXAASKDZQYYJMQ-UHFFFAOYSA-N 0 0 380.492 4.668 50 0 GJAARN O=c1c2sccc2nc(SCc2ccccc2F)n1Cc1ccccc1 ZINC000005900644 570802584 /nfs/dbraw/zinc/80/25/84/570802584.db2.gz CMTIEVPTQYZWKV-UHFFFAOYSA-N 0 0 382.485 4.938 50 0 GJAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(CSC(F)F)o2)cc1 ZINC000032770935 570804732 /nfs/dbraw/zinc/80/47/32/570804732.db2.gz BNFCVUMXDKKIRL-UHFFFAOYSA-N 0 0 382.432 4.972 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 ZINC000005938882 570806231 /nfs/dbraw/zinc/80/62/31/570806231.db2.gz BRVSSFPMDAJUKT-GOSISDBHSA-N 0 0 378.501 4.663 50 0 GJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)COc3ccccc3)cc12 ZINC000033084563 570806273 /nfs/dbraw/zinc/80/62/73/570806273.db2.gz AMQSRIWTSCHVKD-UHFFFAOYSA-N 0 0 375.472 4.551 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007159071 570806442 /nfs/dbraw/zinc/80/64/42/570806442.db2.gz MLIVWBIXKBKXMJ-XUXNDYAISA-N 0 0 391.559 4.883 50 0 GJAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccccc1F ZINC000007160708 570806458 /nfs/dbraw/zinc/80/64/58/570806458.db2.gz ULPUCSRITIUEFQ-SNVBAGLBSA-N 0 0 395.381 4.907 50 0 GJAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc2cc(Cl)ccc2oc1=O ZINC000004651121 570806566 /nfs/dbraw/zinc/80/65/66/570806566.db2.gz UDSAPQTZUPJZTO-UHFFFAOYSA-N 0 0 385.891 4.783 50 0 GJAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(Br)c2)s1 ZINC000005950074 570807830 /nfs/dbraw/zinc/80/78/30/570807830.db2.gz WYQYOQODMHVXDY-UHFFFAOYSA-N 0 0 399.335 4.669 50 0 GJAARN c1csc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc54)o3)n2)c1 ZINC000007160975 570808317 /nfs/dbraw/zinc/80/83/17/570808317.db2.gz GBOMTJFSHGVGQV-UHFFFAOYSA-N 0 0 381.442 4.622 50 0 GJAARN Cc1cccc2c1ncn(CC(=O)Nc1c(C(C)C)cccc1C(C)C)c2=O ZINC000018185595 570808604 /nfs/dbraw/zinc/80/86/04/570808604.db2.gz TTWDMGFLUGWISM-UHFFFAOYSA-N 0 0 377.488 4.590 50 0 GJAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(OC(F)F)cc1 ZINC000013960967 570808699 /nfs/dbraw/zinc/80/86/99/570808699.db2.gz UGVIZRPDCDONNW-UHFFFAOYSA-N 0 0 398.413 4.577 50 0 GJAARN COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1OCc1ccncc1 ZINC000036761065 570810071 /nfs/dbraw/zinc/81/00/71/570810071.db2.gz VSDHZEWCOZARFT-UHFFFAOYSA-N 0 0 396.874 4.894 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccnn1C1CCCC1 ZINC000005971669 570810556 /nfs/dbraw/zinc/81/05/56/570810556.db2.gz SCWFILGJEURDEI-UHFFFAOYSA-N 0 0 384.530 4.853 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)NCCSCc3ccsc3)cs2)cc1 ZINC000032778187 570811157 /nfs/dbraw/zinc/81/11/57/570811157.db2.gz GAXFNPSRZWCPST-UHFFFAOYSA-N 0 0 388.583 4.772 50 0 GJAARN CCCCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000004662086 570811942 /nfs/dbraw/zinc/81/19/42/570811942.db2.gz GNELBZGQQDBFHD-UHFFFAOYSA-N 0 0 386.258 4.543 50 0 GJAARN CC(C)(C)NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000005987730 570812159 /nfs/dbraw/zinc/81/21/59/570812159.db2.gz YBGGMHWEYBCADK-UHFFFAOYSA-N 0 0 391.920 4.704 50 0 GJAARN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccncc3)c3ccccc3n2)cc1 ZINC000007184042 570812313 /nfs/dbraw/zinc/81/23/13/570812313.db2.gz DJEYNJAYNVUERB-MRXNPFEDSA-N 0 0 383.451 4.796 50 0 GJAARN CCOC(=O)c1c2ccc(C)c(OCc3ccccn3)c2sc1NC(=O)CC ZINC000033113574 570812403 /nfs/dbraw/zinc/81/24/03/570812403.db2.gz UNKBWTXEDURGLF-UHFFFAOYSA-N 0 0 398.484 4.709 50 0 GJAARN O=C(Cc1ccccc1Cl)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000238939542 570814669 /nfs/dbraw/zinc/81/46/69/570814669.db2.gz VVURGXNRCQPVNJ-UHFFFAOYSA-N 0 0 380.875 4.501 50 0 GJAARN CCOc1c2cc(NC(=O)c3c(F)cccc3F)ccc2sc1C(=O)OC ZINC000033123416 570815366 /nfs/dbraw/zinc/81/53/66/570815366.db2.gz BAOWJQWMINWNII-UHFFFAOYSA-N 0 0 391.395 4.617 50 0 GJAARN CCOc1cc(C(=O)Nc2nc(C(C)C)cs2)ccc1OCc1cccnc1 ZINC000032795864 570815967 /nfs/dbraw/zinc/81/59/67/570815967.db2.gz URRZGBUGKCMUPB-UHFFFAOYSA-N 0 0 397.500 4.892 50 0 GJAARN CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000004505341 570817630 /nfs/dbraw/zinc/81/76/30/570817630.db2.gz WWSARTDSAOIXKL-ZDUSSCGKSA-N 0 0 392.858 4.509 50 0 GJAARN CCCc1nnc(S[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000014075572 570818608 /nfs/dbraw/zinc/81/86/08/570818608.db2.gz ITOIXKSXWRWROV-IBGZPJMESA-N 0 0 380.517 4.846 50 0 GJAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3F)C2)cc1 ZINC000101352799 570819717 /nfs/dbraw/zinc/81/97/17/570819717.db2.gz PAFTYJKFWSEELQ-KRWDZBQOSA-N 0 0 385.240 4.544 50 0 GJAARN CC(=O)Nc1cccc(-n2c(S[C@H](C)c3ccccc3)nnc2C2CC2)c1 ZINC000032801732 570820268 /nfs/dbraw/zinc/82/02/68/570820268.db2.gz KUOUTAUODCOTST-CQSZACIVSA-N 0 0 378.501 4.956 50 0 GJAARN Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 ZINC000101348765 570821007 /nfs/dbraw/zinc/82/10/07/570821007.db2.gz ZRAFUWCIJFCSTG-JOCHJYFZSA-N 0 0 395.462 4.711 50 0 GJAARN CCCCCNC(=O)c1cccc(-c2nccc(Oc3ccc(OC)cc3)n2)c1 ZINC000033130487 570821282 /nfs/dbraw/zinc/82/12/82/570821282.db2.gz DJIBSPGBNXWYHL-UHFFFAOYSA-N 0 0 391.471 4.865 50 0 biogenic GJAARN COc1cccc(Oc2ccc(-c3cccc(C(=O)NC4CCCC4)c3)nn2)c1 ZINC000033131050 570821870 /nfs/dbraw/zinc/82/18/70/570821870.db2.gz ZMIFIJDTHZYPED-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN CSCC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1nc2ccccc2[nH]1 ZINC000012506854 570822753 /nfs/dbraw/zinc/82/27/53/570822753.db2.gz GBYNZLOKBRKTEY-HNAYVOBHSA-N 0 0 399.585 4.963 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)c3cccnc3N3CCCC3)n2)cc1 ZINC000014129605 570824463 /nfs/dbraw/zinc/82/44/63/570824463.db2.gz IKWDWLAAEPCOOD-UHFFFAOYSA-N 0 0 378.501 4.620 50 0 GJAARN COc1cc(CNC(=O)c2cccc3cccnc32)ccc1OCc1ccccc1 ZINC000014137575 570824923 /nfs/dbraw/zinc/82/49/23/570824923.db2.gz AGGHWJCFOBRZLG-UHFFFAOYSA-N 0 0 398.462 4.752 50 0 GJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)cc1 ZINC000032800954 570824931 /nfs/dbraw/zinc/82/49/31/570824931.db2.gz UDJOTWCEKPHZIN-UHFFFAOYSA-N 0 0 385.261 4.623 50 0 GJAARN C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007288617 570825330 /nfs/dbraw/zinc/82/53/30/570825330.db2.gz ZSHSJUHLWMBYKI-CYBMUJFWSA-N 0 0 381.457 4.859 50 0 GJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1cc(Cl)ccc1Cl ZINC000007294081 570826700 /nfs/dbraw/zinc/82/67/00/570826700.db2.gz LUGAWZJCCVQIQY-NSHDSACASA-N 0 0 395.311 4.849 50 0 GJAARN COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)c1 ZINC000014179791 570826741 /nfs/dbraw/zinc/82/67/41/570826741.db2.gz UJVHNZJLCCXPMW-UHFFFAOYSA-N 0 0 377.375 4.598 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000014186032 570827101 /nfs/dbraw/zinc/82/71/01/570827101.db2.gz XMBPHJDWLQATEQ-UHFFFAOYSA-N 0 0 395.846 4.683 50 0 GJAARN FC(F)(F)[C@@H]1CCCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C1 ZINC000014185617 570827133 /nfs/dbraw/zinc/82/71/33/570827133.db2.gz JUXSZLYQFNEANF-LLVKDONJSA-N 0 0 388.484 4.709 50 0 GJAARN CCOc1c(Br)cc(C(=O)Nc2ccc(C)c(F)c2)cc1OC ZINC000005702015 570827753 /nfs/dbraw/zinc/82/77/53/570827753.db2.gz DCTWFQBVZXWJNR-UHFFFAOYSA-N 0 0 382.229 4.556 50 0 GJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)cn1 ZINC000014189819 570827937 /nfs/dbraw/zinc/82/79/37/570827937.db2.gz MSYAMEFJCVGCHZ-UHFFFAOYSA-N 0 0 380.292 4.590 50 0 GJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OCc1cn2ccccc2n1 ZINC000007318883 570829279 /nfs/dbraw/zinc/82/92/79/570829279.db2.gz GZTGMNKEKHPWOD-QFIPXVFZSA-N 0 0 397.478 4.721 50 0 GJAARN NC(=O)c1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc2c1CCCCC2 ZINC000004681670 570829846 /nfs/dbraw/zinc/82/98/46/570829846.db2.gz WIYREHRIBPHCKI-UHFFFAOYSA-N 0 0 386.561 4.661 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014209206 570830059 /nfs/dbraw/zinc/83/00/59/570830059.db2.gz GRAYOKGFVLPQAI-UHFFFAOYSA-N 0 0 399.853 4.805 50 0 GJAARN O=C(Nc1ccc(-n2cccn2)nc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012528466 570833284 /nfs/dbraw/zinc/83/32/84/570833284.db2.gz LUWZKCPXYIDOPZ-OAQYLSRUSA-N 0 0 386.480 4.739 50 0 GJAARN CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000014229857 570833801 /nfs/dbraw/zinc/83/38/01/570833801.db2.gz GOZLDECKLQIQMM-UHFFFAOYSA-N 0 0 388.700 4.668 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000002101792 570834168 /nfs/dbraw/zinc/83/41/68/570834168.db2.gz QWEMTQXOWYCRFN-CQSZACIVSA-N 0 0 375.852 4.621 50 0 GJAARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cnc3ccccc3n2)cc1 ZINC000007363653 570834428 /nfs/dbraw/zinc/83/44/28/570834428.db2.gz MYMOGVQVXJNZEJ-QHCPKHFHSA-N 0 0 396.450 4.800 50 0 GJAARN CCOC(=O)[C@@H](NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C(C)C ZINC000033169262 570834961 /nfs/dbraw/zinc/83/49/61/570834961.db2.gz LKNDULPVMJJBRD-SFHVURJKSA-N 0 0 397.500 4.673 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1Cn1ccnc1 ZINC000012535540 570835728 /nfs/dbraw/zinc/83/57/28/570835728.db2.gz FRKDQEJVCNBCMX-UHFFFAOYSA-N 0 0 395.506 4.770 50 0 GJAARN COc1ccc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)cc1Cl ZINC000033172354 570836795 /nfs/dbraw/zinc/83/67/95/570836795.db2.gz HKSHBKQZHRZKAR-UHFFFAOYSA-N 0 0 398.875 4.504 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)NC3CCC(C)CC3)c(C)s2)sc1C ZINC000033169488 570838326 /nfs/dbraw/zinc/83/83/26/570838326.db2.gz RERVAEGQQHYXKE-UHFFFAOYSA-N 0 0 384.592 4.654 50 0 GJAARN Cc1c2ccccc2oc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000007408877 570838504 /nfs/dbraw/zinc/83/85/04/570838504.db2.gz GVINDCUYXUYBAU-UHFFFAOYSA-N 0 0 378.409 4.846 50 0 GJAARN CCc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)cc1 ZINC000101946516 570839114 /nfs/dbraw/zinc/83/91/14/570839114.db2.gz BBDVCKHRKHDRBR-LJQANCHMSA-N 0 0 389.499 4.724 50 0 GJAARN CCc1cccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c1 ZINC000101946528 570839162 /nfs/dbraw/zinc/83/91/62/570839162.db2.gz BYEWWTUZCWYWJI-LJQANCHMSA-N 0 0 389.499 4.724 50 0 GJAARN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 ZINC000014255194 570839316 /nfs/dbraw/zinc/83/93/16/570839316.db2.gz AERJFZGHOWVPEO-UHFFFAOYSA-N 0 0 386.286 4.588 50 0 GJAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl ZINC000003239191 570840262 /nfs/dbraw/zinc/84/02/62/570840262.db2.gz UCDQOLDUUASTIO-UHFFFAOYSA-N 0 0 381.806 4.539 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003242288 570840338 /nfs/dbraw/zinc/84/03/38/570840338.db2.gz OZZZILJXSZIPRM-CYBMUJFWSA-N 0 0 395.377 4.894 50 0 GJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](OC(=O)C1CC1)c1ccccc1 ZINC000003240562 570840427 /nfs/dbraw/zinc/84/04/27/570840427.db2.gz CPGMAFSAFOVJLW-INIZCTEOSA-N 0 0 397.780 4.992 50 0 GJAARN CCCCC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000012541084 570841164 /nfs/dbraw/zinc/84/11/64/570841164.db2.gz HILMIZNIBDAARP-SFHVURJKSA-N 0 0 375.394 4.978 50 0 GJAARN Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)nc21 ZINC000007424524 570841341 /nfs/dbraw/zinc/84/13/41/570841341.db2.gz BHRJVVXMULNUEO-UHFFFAOYSA-N 0 0 394.475 4.677 50 0 GJAARN c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000102142626 570842122 /nfs/dbraw/zinc/84/21/22/570842122.db2.gz PHMJPMIGDXMVJO-YKSBVNFPSA-N 0 0 384.435 4.700 50 0 GJAARN COc1cccc(Nc2nnc(SCc3cc(-c4ccco4)on3)s2)c1 ZINC000012544056 570844110 /nfs/dbraw/zinc/84/41/10/570844110.db2.gz AALFBWUPGPNCGJ-UHFFFAOYSA-N 0 0 386.458 4.831 50 0 GJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2sc3ccccc3c2Cl)[C@H]1C ZINC000102253248 570844761 /nfs/dbraw/zinc/84/47/61/570844761.db2.gz BAUGPNHZCJAPMM-DYEKYZERSA-N 0 0 379.909 4.652 50 0 GJAARN CC(C)(C)Nc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 ZINC000032841163 570849626 /nfs/dbraw/zinc/84/96/26/570849626.db2.gz IWCFLUMPTYCQPE-UHFFFAOYSA-N 0 0 392.594 4.668 50 0 GJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c(C)c1 ZINC000102529149 570850298 /nfs/dbraw/zinc/85/02/98/570850298.db2.gz REGXRVDFLBOUBR-UHFFFAOYSA-N 0 0 397.478 4.800 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Nc2cccc(C)c2)sc2c1CCCC2 ZINC000003285856 570851252 /nfs/dbraw/zinc/85/12/52/570851252.db2.gz NRWDHFTZCIZKHQ-CQSZACIVSA-N 0 0 386.517 4.551 50 0 GJAARN CC(C)Nc1nn(CN(C)Cc2ccccc2N2CCCCC2)c(=S)s1 ZINC000012549297 570851685 /nfs/dbraw/zinc/85/16/85/570851685.db2.gz KCAYGIUSEKDUEH-UHFFFAOYSA-N 0 0 391.610 4.574 50 0 GJAARN COc1cc(-n2c(-c3ccccc3)cn3c4ccccc4nc32)cc(OC)c1OC ZINC000003290219 570852163 /nfs/dbraw/zinc/85/21/63/570852163.db2.gz SKYRXGJBXGBJBZ-UHFFFAOYSA-N 0 0 399.450 4.971 50 0 GJAARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3ccccn3)C12 ZINC000102566928 570852359 /nfs/dbraw/zinc/85/23/59/570852359.db2.gz ICEOESNMHYFSQK-IBGZPJMESA-N 0 0 389.484 4.637 50 0 GJAARN CCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000102571407 570852725 /nfs/dbraw/zinc/85/27/25/570852725.db2.gz QVCNIWILIMHOHS-JTSKRJEESA-N 0 0 386.455 4.742 50 0 GJAARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 ZINC000102584305 570852838 /nfs/dbraw/zinc/85/28/38/570852838.db2.gz ZLZFSDZPYCQIJJ-KRWDZBQOSA-N 0 0 384.505 4.706 50 0 GJAARN O=C(CCc1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000032848007 570853657 /nfs/dbraw/zinc/85/36/57/570853657.db2.gz WOWXOGWLCKTTEF-HSZRJFAPSA-N 0 0 391.492 4.584 50 0 GJAARN Cc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c(C)n1CC(F)(F)F ZINC000033214772 570853677 /nfs/dbraw/zinc/85/36/77/570853677.db2.gz IUHIMAKHAMOMSZ-UHFFFAOYSA-N 0 0 377.366 4.938 50 0 GJAARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000102614728 570854008 /nfs/dbraw/zinc/85/40/08/570854008.db2.gz ICWNWCRWRFXGFI-RBZFPXEDSA-N 0 0 392.846 4.702 50 0 GJAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000102603906 570854110 /nfs/dbraw/zinc/85/41/10/570854110.db2.gz CKIZXYZAHWKWCE-XOBRGWDASA-N 0 0 376.847 4.997 50 0 GJAARN Cc1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000003332672 570857984 /nfs/dbraw/zinc/85/79/84/570857984.db2.gz TVJHAEFSNKPDRC-SFYZADRCSA-N 0 0 376.334 4.511 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N1CCCOCC1 ZINC000170600052 570858200 /nfs/dbraw/zinc/85/82/00/570858200.db2.gz QDFQOGKJVIVRJT-UHFFFAOYSA-N 0 0 398.356 4.891 50 0 GJAARN COc1ccc(CC[C@@H](C)NC(=O)c2cc(C(F)(F)F)cnc2Cl)cc1 ZINC000170601883 570859749 /nfs/dbraw/zinc/85/97/49/570859749.db2.gz NIWLDOVQBYSGRN-LLVKDONJSA-N 0 0 386.801 4.514 50 0 GJAARN CSCc1nnc(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)o1 ZINC000032860383 570860651 /nfs/dbraw/zinc/86/06/51/570860651.db2.gz HRTQEPFFEKGVGT-UHFFFAOYSA-N 0 0 399.541 4.567 50 0 GJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccs3)C2)cc1 ZINC000102751897 570861712 /nfs/dbraw/zinc/86/17/12/570861712.db2.gz JHSVPQOMIMATBU-KPZWWZAWSA-N 0 0 394.456 4.769 50 0 GJAARN Cc1nc(-c2ccc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc2)no1 ZINC000033254190 570862216 /nfs/dbraw/zinc/86/22/16/570862216.db2.gz AHSRPSLKIZWYIT-UHFFFAOYSA-N 0 0 376.460 4.534 50 0 GJAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCCC1 ZINC000044087471 570863041 /nfs/dbraw/zinc/86/30/41/570863041.db2.gz BTIWJRAAYXERKP-UHFFFAOYSA-N 0 0 397.931 4.907 50 0 GJAARN COc1ccccc1-c1cc(COC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)on1 ZINC000032865979 570863166 /nfs/dbraw/zinc/86/31/66/570863166.db2.gz BCURJSZZVGPEMM-KGLIPLIRSA-N 0 0 379.412 4.592 50 0 GJAARN CCOC(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1NCc1ccc(Cl)cc1 ZINC000033256875 570863551 /nfs/dbraw/zinc/86/35/51/570863551.db2.gz LIZNSMWSMNOGLB-UHFFFAOYSA-N 0 0 391.254 4.624 50 0 GJAARN O=C(NCc1ccccc1Cl)Nc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000033257405 570864004 /nfs/dbraw/zinc/86/40/04/570864004.db2.gz ZBPVEVDMSNHHBU-UHFFFAOYSA-N 0 0 382.851 4.979 50 0 GJAARN Cc1nc2c3ccccc3nc(SCc3nc4ccccc4n3C(F)F)n2n1 ZINC000014903205 570864289 /nfs/dbraw/zinc/86/42/89/570864289.db2.gz FDZFMDNZQXHTHB-UHFFFAOYSA-N 0 0 396.426 4.623 50 0 GJAARN O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000003415027 570865608 /nfs/dbraw/zinc/86/56/08/570865608.db2.gz DPXRNXZIHIKBTJ-UHFFFAOYSA-N 0 0 394.814 4.573 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1C[C@H]1CCCO1 ZINC000012561366 570865787 /nfs/dbraw/zinc/86/57/87/570865787.db2.gz CUNBTPZMVIMVTF-KZULUSFZSA-N 0 0 377.271 4.739 50 0 GJAARN COc1cccc(-c2nc3ccc(C(=O)N[C@H](C)CCCC(C)(C)O)cc3o2)c1 ZINC000014953818 570865817 /nfs/dbraw/zinc/86/58/17/570865817.db2.gz IIPNCQYTYBTENN-OAHLLOKOSA-N 0 0 396.487 4.563 50 0 GJAARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(N(C)C)cc3)cc2)cs1 ZINC000012562171 570866051 /nfs/dbraw/zinc/86/60/51/570866051.db2.gz XWDAOCUFYQLWLC-CQSZACIVSA-N 0 0 380.517 4.624 50 0 GJAARN COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2cccc(SC)c2)C1 ZINC000014955718 570866250 /nfs/dbraw/zinc/86/62/50/570866250.db2.gz ZDNIQJPONOTVLR-HNNXBMFYSA-N 0 0 384.501 4.544 50 0 GJAARN C[C@H]1CC[C@@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)O1 ZINC000170608152 570866384 /nfs/dbraw/zinc/86/63/84/570866384.db2.gz LEKUIOBLMBPCSS-WMZOPIPTSA-N 0 0 399.585 4.833 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)CC(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000102830462 570866393 /nfs/dbraw/zinc/86/63/93/570866393.db2.gz RIURXWHYERFJKP-WBMJQRKESA-N 0 0 394.313 4.749 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000170608652 570866564 /nfs/dbraw/zinc/86/65/64/570866564.db2.gz QWQZBPWYGHZJFF-UHFFFAOYSA-N 0 0 392.146 4.668 50 0 GJAARN COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@@H](c3ccccc3)CC(=O)C21 ZINC000102836398 570866761 /nfs/dbraw/zinc/86/67/61/570866761.db2.gz QDHZAFKNLXOYNA-JLTOFOAXSA-N 0 0 388.427 4.707 50 0 GJAARN COc1ccc(C(C)=O)cc1CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000003427543 570867118 /nfs/dbraw/zinc/86/71/18/570867118.db2.gz NVNHYPCSVRRPSF-UHFFFAOYSA-N 0 0 382.272 4.540 50 0 GJAARN COc1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc(Cl)c1O ZINC000014970761 570867993 /nfs/dbraw/zinc/86/79/93/570867993.db2.gz UIPGFDHUYANJBF-HNNXBMFYSA-N 0 0 394.298 4.803 50 0 GJAARN C[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1Cc1ccccc1F ZINC000037275498 570868785 /nfs/dbraw/zinc/86/87/85/570868785.db2.gz NVTPZHYGWZDTGY-SFHVURJKSA-N 0 0 390.458 4.855 50 0 GJAARN CCNC(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccc(C)cc1 ZINC000037278743 570869275 /nfs/dbraw/zinc/86/92/75/570869275.db2.gz YYJCDUASRXMHFM-UHFFFAOYSA-N 0 0 377.488 4.659 50 0 GJAARN CCOc1ccc(NC(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc1 ZINC000207973329 570869584 /nfs/dbraw/zinc/86/95/84/570869584.db2.gz DNNTWIZENGVGJV-FQEVSTJZSA-N 0 0 382.485 4.550 50 0 GJAARN Cc1ccccc1Nc1nnc(SCCC(=O)N2CCc3ccccc32)s1 ZINC000032871006 570869800 /nfs/dbraw/zinc/86/98/00/570869800.db2.gz BVDBQGHXTQKLRT-UHFFFAOYSA-N 0 0 396.541 4.662 50 0 GJAARN O=C(CCSc1ccccc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000044204274 570870646 /nfs/dbraw/zinc/87/06/46/570870646.db2.gz JUETUODLIBHKJR-OAHLLOKOSA-N 0 0 399.541 4.687 50 0 GJAARN CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1O ZINC000015010579 570871338 /nfs/dbraw/zinc/87/13/38/570871338.db2.gz PCKHQKVQOOVJAF-YBEGLDIGSA-N 0 0 389.860 4.681 50 0 GJAARN CCCn1ccnc1CCCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000170613649 570871668 /nfs/dbraw/zinc/87/16/68/570871668.db2.gz MYVZLMOTIKASCU-SJORKVTESA-N 0 0 393.453 4.507 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1Nc1ccccc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000102954251 570872126 /nfs/dbraw/zinc/87/21/26/570872126.db2.gz VCDZWOTXDLWVDZ-NVPYSNMXSA-N 0 0 394.474 4.752 50 0 GJAARN CC[C@@H](C(=O)O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 ZINC000012569406 570873435 /nfs/dbraw/zinc/87/34/35/570873435.db2.gz OJZZKFGVEUBSJK-QAPCUYQASA-N 0 0 380.362 4.798 50 0 GJAARN CC(C)c1nsc(N[C@@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)n1 ZINC000170616200 570873724 /nfs/dbraw/zinc/87/37/24/570873724.db2.gz IAOBXIAQFKWPEE-JTQLQIEISA-N 0 0 392.326 4.987 50 0 GJAARN Cc1nc2cc(NC(=O)c3ccc(SCc4cscn4)cc3)ccc2[nH]1 ZINC000012575783 570875151 /nfs/dbraw/zinc/87/51/51/570875151.db2.gz KFXKLQVQDOICKB-UHFFFAOYSA-N 0 0 380.498 4.872 50 0 GJAARN O=C(NC1CCCC1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000015069422 570876849 /nfs/dbraw/zinc/87/68/49/570876849.db2.gz CYZJEGHEMZITSO-UHFFFAOYSA-N 0 0 379.407 4.754 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000012579034 570876878 /nfs/dbraw/zinc/87/68/78/570876878.db2.gz AYTZQXAKANHZEL-FQEVSTJZSA-N 0 0 377.488 4.737 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000012581963 570878658 /nfs/dbraw/zinc/87/86/58/570878658.db2.gz KFOVINAOVKFKSP-KYOSRNDESA-N 0 0 388.291 4.549 50 0 GJAARN O=C1N[C@@H](c2ccccc2F)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000003647456 570881002 /nfs/dbraw/zinc/88/10/02/570881002.db2.gz FDZIEOFCTPCQMG-HXUWFJFHSA-N 0 0 393.487 4.874 50 0 GJAARN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl ZINC000015093829 570881228 /nfs/dbraw/zinc/88/12/28/570881228.db2.gz GIEMEZOPGKLMKM-UHFFFAOYSA-N 0 0 395.233 4.929 50 0 GJAARN O=c1c(Cl)c(NCc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC000015165874 570883375 /nfs/dbraw/zinc/88/33/75/570883375.db2.gz HCSOHOIOMQMLHO-UHFFFAOYSA-N 0 0 379.769 4.517 50 0 GJAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000012596405 570885037 /nfs/dbraw/zinc/88/50/37/570885037.db2.gz HZCQCEFGGZCBPK-UHFFFAOYSA-N 0 0 394.906 4.746 50 0 GJAARN C[C@H]1CN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000012596291 570885079 /nfs/dbraw/zinc/88/50/79/570885079.db2.gz BAAFLPMPJFVFOP-KBPBESRZSA-N 0 0 378.394 4.698 50 0 GJAARN CCN(Cc1cccs1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000012599683 570886271 /nfs/dbraw/zinc/88/62/71/570886271.db2.gz BORLQBUSGMIILZ-NRFANRHFSA-N 0 0 391.492 4.865 50 0 GJAARN CC(=O)C(Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)=C(C)O ZINC000012603650 570887451 /nfs/dbraw/zinc/88/74/51/570887451.db2.gz PSULOMVJPBTKQE-UHFFFAOYSA-N 0 0 399.497 4.713 50 0 GJAARN Cc1ccccc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267856 570889457 /nfs/dbraw/zinc/88/94/57/570889457.db2.gz AXEVGTLCWLDBGT-HXUWFJFHSA-N 0 0 384.483 4.835 50 0 GJAARN CCn1c2ccccc2c2cc(CN(C)C(=O)c3c(C)nn(C)c3Cl)ccc21 ZINC000012607988 570889491 /nfs/dbraw/zinc/88/94/91/570889491.db2.gz OGSLJLRACMQWBK-UHFFFAOYSA-N 0 0 394.906 4.782 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000004563112 570890163 /nfs/dbraw/zinc/89/01/63/570890163.db2.gz SRPMBRXVZMODGD-UHFFFAOYSA-N 0 0 375.472 4.794 50 0 GJAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 ZINC000010025227 570891278 /nfs/dbraw/zinc/89/12/78/570891278.db2.gz CTXYRDVHIOYVCX-QGZVFWFLSA-N 0 0 387.508 4.965 50 0 GJAARN CCC(CC)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000015327474 570891374 /nfs/dbraw/zinc/89/13/74/570891374.db2.gz KHIXDOOXKRAFNF-UHFFFAOYSA-N 0 0 378.472 4.837 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3c(C)onc3-c3ccccc3)o2)cs1 ZINC000012618724 570891405 /nfs/dbraw/zinc/89/14/05/570891405.db2.gz WYNBSGRZADKYCM-UHFFFAOYSA-N 0 0 379.441 4.605 50 0 GJAARN COc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccc(C)cc3)sc2c1 ZINC000010254283 570893278 /nfs/dbraw/zinc/89/32/78/570893278.db2.gz XWUNRCOCRYTNMG-UHFFFAOYSA-N 0 0 389.480 4.855 50 0 GJAARN Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@@H](c3ccccc3)C2=O)cc1 ZINC000015413294 570893547 /nfs/dbraw/zinc/89/35/47/570893547.db2.gz BTEMULDQTAKHHP-DEOSSOPVSA-N 0 0 384.479 4.733 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000032900242 570893990 /nfs/dbraw/zinc/89/39/90/570893990.db2.gz MZMNUZJDFUVEKE-NRFANRHFSA-N 0 0 376.456 4.565 50 0 GJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1N1CCCC1 ZINC000014779466 570894472 /nfs/dbraw/zinc/89/44/72/570894472.db2.gz QYECMUOZCSBRPO-UHFFFAOYSA-N 0 0 379.435 4.652 50 0 GJAARN CSc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3cccc4nccnc43)C2)cc1 ZINC000097105908 570894717 /nfs/dbraw/zinc/89/47/17/570894717.db2.gz QMMGOFZZBJNHDU-HXUWFJFHSA-N 0 0 390.512 4.685 50 0 GJAARN Cn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1-c1ccccn1 ZINC000013325559 570895473 /nfs/dbraw/zinc/89/54/73/570895473.db2.gz MKHULIJIZSZFAQ-UHFFFAOYSA-N 0 0 399.932 4.946 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C ZINC000013331651 570895794 /nfs/dbraw/zinc/89/57/94/570895794.db2.gz RMDWBRHCCYPJBI-UHFFFAOYSA-N 0 0 378.476 4.899 50 0 GJAARN S=C(NCc1ccc(Cl)cc1)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000013330967 570895935 /nfs/dbraw/zinc/89/59/35/570895935.db2.gz JOLCOKFNINDUNB-UHFFFAOYSA-N 0 0 391.327 4.725 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1c(F)cccc1Cl ZINC000013695412 570900109 /nfs/dbraw/zinc/90/01/09/570900109.db2.gz NTFJOIQSDOODRX-UHFFFAOYSA-N 0 0 384.794 4.527 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000013695030 570900198 /nfs/dbraw/zinc/90/01/98/570900198.db2.gz FSRDNZCGTYQTPV-UHFFFAOYSA-N 0 0 392.543 4.921 50 0 GJAARN CCc1ccccc1NC(=O)N1C[C@H](C)[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000097151939 570900201 /nfs/dbraw/zinc/90/02/01/570900201.db2.gz CCURJZLIXOBSFT-YJBOKZPZSA-N 0 0 376.460 4.566 50 0 GJAARN O=C(NCc1ccc(OC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012623701 570900336 /nfs/dbraw/zinc/90/03/36/570900336.db2.gz NJKFVDUTPQJNAR-GOOCMWNKSA-N 0 0 399.528 4.517 50 0 GJAARN CCc1nc2sc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)c(C)c2c(C)n1 ZINC000032903162 570901433 /nfs/dbraw/zinc/90/14/33/570901433.db2.gz MZJWBDVCZZRNEK-QGZVFWFLSA-N 0 0 395.528 4.856 50 0 GJAARN CCc1nc2sc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2c(C)n1 ZINC000032903151 570901575 /nfs/dbraw/zinc/90/15/75/570901575.db2.gz SUYAFDPDOIILEQ-UHFFFAOYSA-N 0 0 393.434 4.819 50 0 GJAARN COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 ZINC000013972486 570902873 /nfs/dbraw/zinc/90/28/73/570902873.db2.gz QVIRYRJSZCUVRM-UHFFFAOYSA-N 0 0 394.496 4.958 50 0 GJAARN Cc1nc(CSc2ccccc2C(=O)OCc2nc3ccccc3s2)no1 ZINC000032905830 570906404 /nfs/dbraw/zinc/90/64/04/570906404.db2.gz OQOXVBFNBUHUIZ-UHFFFAOYSA-N 0 0 397.481 4.637 50 0 GJAARN O=C(Nc1ccccc1F)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000014609477 570906496 /nfs/dbraw/zinc/90/64/96/570906496.db2.gz ZUJZERUYKMTBKH-UHFFFAOYSA-N 0 0 392.821 4.979 50 0 GJAARN Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)o1 ZINC000015860470 570907036 /nfs/dbraw/zinc/90/70/36/570907036.db2.gz WXVKNZJWWYXSKR-KRWDZBQOSA-N 0 0 386.879 4.863 50 0 GJAARN CC(C)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 ZINC000014636235 570907477 /nfs/dbraw/zinc/90/74/77/570907477.db2.gz IJCIWJVSRQFWHO-XMMPIXPASA-N 0 0 392.499 4.775 50 0 GJAARN COc1cc(OC)c(NC(=O)c2c(C)onc2-c2ccc(F)cc2)cc1Cl ZINC000031877615 570907484 /nfs/dbraw/zinc/90/74/84/570907484.db2.gz QOERQIOYGQTCTJ-UHFFFAOYSA-N 0 0 390.798 4.712 50 0 GJAARN CC(=O)N1CC2=C(C1=O)[C@@H](C1CCCCC1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263584925 570907922 /nfs/dbraw/zinc/90/79/22/570907922.db2.gz CEWCMMOZSACDDB-NRFANRHFSA-N 0 0 391.515 4.954 50 0 biogenic GJAARN COc1cc(NC(=O)CCCc2nc3ccccc3s2)c(OC)cc1Cl ZINC000015970715 570910239 /nfs/dbraw/zinc/91/02/39/570910239.db2.gz APTDAULUWWZTBO-UHFFFAOYSA-N 0 0 390.892 4.928 50 0 GJAARN COc1cccc2cc(/C=C\C(=O)Nc3ccc(OC)c(OC(F)F)c3)oc21 ZINC000098004226 570914038 /nfs/dbraw/zinc/91/40/38/570914038.db2.gz WLIMJAFKQSPCQK-CLFYSBASSA-N 0 0 389.354 4.703 50 0 GJAARN COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(F)cc4)csc3n2)cc1 ZINC000016848818 570914104 /nfs/dbraw/zinc/91/41/04/570914104.db2.gz ZZUQBUQEWXKPSW-UHFFFAOYSA-N 0 0 395.459 4.782 50 0 GJAARN O=C(c1occc1-c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000032913196 570917144 /nfs/dbraw/zinc/91/71/44/570917144.db2.gz FVAHZPHQUHJFFT-UHFFFAOYSA-N 0 0 389.480 4.519 50 0 GJAARN O=C(c1cccs1)N(CCn1cccn1)c1nc2c(cccc2Cl)s1 ZINC000023144741 570919286 /nfs/dbraw/zinc/91/92/86/570919286.db2.gz BPIBLHVEBHULHU-UHFFFAOYSA-N 0 0 388.905 4.555 50 0 GJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c1 ZINC000004039934 570924470 /nfs/dbraw/zinc/92/44/70/570924470.db2.gz HZGKIKCZPCBRSK-NZQKXSOJSA-N 0 0 378.472 4.524 50 0 biogenic GJAARN FC(F)(F)c1nc2ccccc2n2c(-c3ccc(Br)cc3)nnc12 ZINC000004053029 570926020 /nfs/dbraw/zinc/92/60/20/570926020.db2.gz MKSJACXSBDEHHA-UHFFFAOYSA-N 0 0 393.166 4.726 50 0 GJAARN Cc1c(C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2n1C ZINC000004062386 570927678 /nfs/dbraw/zinc/92/76/78/570927678.db2.gz SZQYFOUISDIHLF-UHFFFAOYSA-N 0 0 396.490 4.898 50 0 GJAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)Cc1ccc(F)cc1 ZINC000004063089 570928234 /nfs/dbraw/zinc/92/82/34/570928234.db2.gz RBEACWWFUJPMDQ-UHFFFAOYSA-N 0 0 377.444 4.987 50 0 GJAARN Cc1cccc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)c1C ZINC000017135700 570928485 /nfs/dbraw/zinc/92/84/85/570928485.db2.gz PNOQLUBBYLPVKR-QXMHVHEDSA-N 0 0 375.497 4.888 50 0 GJAARN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c(C)c1 ZINC000001121375 570931717 /nfs/dbraw/zinc/93/17/17/570931717.db2.gz YEBJXSSXSBFPQY-UHFFFAOYSA-N 0 0 390.277 4.528 50 0 GJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1nnc(C2CCC2)[nH]1 ZINC000263588014 570932146 /nfs/dbraw/zinc/93/21/46/570932146.db2.gz NZKMUXBQNCGRCI-HXUWFJFHSA-N 0 0 385.471 4.645 50 0 GJAARN CSc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002876949 570934269 /nfs/dbraw/zinc/93/42/69/570934269.db2.gz VVHIZFBTEHDBDJ-UHFFFAOYSA-N 0 0 381.828 4.882 50 0 GJAARN CCC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1 ZINC000003017624 570934309 /nfs/dbraw/zinc/93/43/09/570934309.db2.gz MMJZMJYHLOUXFC-UHFFFAOYSA-N 0 0 387.435 4.623 50 0 GJAARN S=C1N=NC(c2cc(-c3cccs3)nc3ccccc32)N1C[C@H]1CCCO1 ZINC000017080673 570941208 /nfs/dbraw/zinc/94/12/08/570941208.db2.gz CTUDLVJBIZJFHV-CYBMUJFWSA-N 0 0 394.525 4.690 50 0 GJAARN Cc1ccccc1Nc1nc(N2CCCCC2)nc2c1cnn2-c1ccccc1 ZINC000017136009 570942127 /nfs/dbraw/zinc/94/21/27/570942127.db2.gz UWLFSDCKDLBRBP-UHFFFAOYSA-N 0 0 384.487 4.858 50 0 GJAARN Cc1nc2cccnc2n1-c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1C ZINC000032932080 570946613 /nfs/dbraw/zinc/94/66/13/570946613.db2.gz FNNUAFWYBLFPFF-OAQYLSRUSA-N 0 0 396.494 4.845 50 0 GJAARN C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1ccccc1N1CCCC1 ZINC000012650990 570946893 /nfs/dbraw/zinc/94/68/93/570946893.db2.gz DHSAIHYCAOTDIO-LJQANCHMSA-N 0 0 387.527 4.899 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccccc1C)CC(=O)N2 ZINC000033271458 570947440 /nfs/dbraw/zinc/94/74/40/570947440.db2.gz NOBDGJYHNRYNQH-MRXNPFEDSA-N 0 0 388.496 4.881 50 0 GJAARN CCc1oc2ccccc2c1/C=C/C(=O)NCc1ccccc1Cn1ccnc1 ZINC000025666063 570948420 /nfs/dbraw/zinc/94/84/20/570948420.db2.gz OIPGIRPKLSIDJA-VAWYXSNFSA-N 0 0 385.467 4.570 50 0 GJAARN COc1ccc(Oc2cc(NC(=O)CCc3ccccc3O)ccc2OC)cc1 ZINC000012674455 570948483 /nfs/dbraw/zinc/94/84/83/570948483.db2.gz ZEIIWGFNTDPVPV-UHFFFAOYSA-N 0 0 393.439 4.773 50 0 GJAARN O=C(c1ccco1)N(CC[C@@H](c1ccco1)c1ccccc1)C(=O)c1ccco1 ZINC000002107138 570948613 /nfs/dbraw/zinc/94/86/13/570948613.db2.gz ZKOJDKQBJDQLME-GOSISDBHSA-N 0 0 389.407 4.970 50 0 biogenic GJAARN COc1ccc(Nc2c(-c3ccc(SC)cc3)nc3ncccn32)cc1OC ZINC000004734019 570948710 /nfs/dbraw/zinc/94/87/10/570948710.db2.gz UVBRRAZJPOETFT-UHFFFAOYSA-N 0 0 392.484 4.879 50 0 GJAARN Cc1sc2ncnc(N[C@H](C)C(=O)Nc3ccc4ccccc4c3)c2c1C ZINC000012681882 570948799 /nfs/dbraw/zinc/94/87/99/570948799.db2.gz HCUHVUHEKINQOU-CYBMUJFWSA-N 0 0 376.485 4.900 50 0 GJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)Nc1ccc(F)cc1F ZINC000012681613 570948916 /nfs/dbraw/zinc/94/89/16/570948916.db2.gz CCIHBWLZMKNAPO-UHFFFAOYSA-N 0 0 383.402 4.594 50 0 GJAARN O=c1[nH]c(SCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21 ZINC000018087975 570950457 /nfs/dbraw/zinc/95/04/57/570950457.db2.gz RCTGWXBNCKSHOO-UHFFFAOYSA-N 0 0 398.491 4.613 50 0 GJAARN Cc1ccccc1-c1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000018201299 570951406 /nfs/dbraw/zinc/95/14/06/570951406.db2.gz JOHQTEIRUSSLDV-UHFFFAOYSA-N 0 0 392.406 4.530 50 0 GJAARN Cc1cc(Br)ccc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O ZINC000018244046 570952166 /nfs/dbraw/zinc/95/21/66/570952166.db2.gz FIRSCXKURKFPSN-JQHSSLGASA-N 0 0 398.300 4.831 50 0 GJAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000263615190 570952298 /nfs/dbraw/zinc/95/22/98/570952298.db2.gz BBLDIMJXNFQMED-LJQANCHMSA-N 0 0 392.846 4.833 50 0 GJAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)cc1 ZINC000004739336 570953362 /nfs/dbraw/zinc/95/33/62/570953362.db2.gz YXMBKPIXUGLYLU-UHFFFAOYSA-N 0 0 379.508 4.560 50 0 GJAARN COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000004740089 570953906 /nfs/dbraw/zinc/95/39/06/570953906.db2.gz WEVLMYTWRUKRKD-DEOSSOPVSA-N 0 0 382.463 4.932 50 0 GJAARN Clc1ccc(Nc2nc3ccccc3c(N3CCOCC3)n2)cc1Cl ZINC000001282696 570953993 /nfs/dbraw/zinc/95/39/93/570953993.db2.gz CNWSESCCAOUBMQ-UHFFFAOYSA-N 0 0 375.259 4.517 50 0 GJAARN Clc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)c1 ZINC000263618912 570955029 /nfs/dbraw/zinc/95/50/29/570955029.db2.gz WCKBUEONVNHGOS-SFHVURJKSA-N 0 0 378.819 4.525 50 0 GJAARN Cc1ccc(CNC(=O)CSc2nccnc2Sc2ccccc2C)cc1 ZINC000033288947 570956152 /nfs/dbraw/zinc/95/61/52/570956152.db2.gz ZRKZENDPQJZNAC-UHFFFAOYSA-N 0 0 395.553 4.653 50 0 GJAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)cc1C ZINC000012062314 570958171 /nfs/dbraw/zinc/95/81/71/570958171.db2.gz KJZRAQREJNJTJH-UHFFFAOYSA-N 0 0 398.528 4.776 50 0 GJAARN CCCc1cc(=O)oc2cc(O[C@@H](C(=O)OC)c3ccccc3)c(Cl)cc12 ZINC000004747490 570959022 /nfs/dbraw/zinc/95/90/22/570959022.db2.gz GABIDEINFBYANH-HXUWFJFHSA-N 0 0 386.831 4.692 50 0 GJAARN Cc1ccc(/C=C\C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000033291016 570959077 /nfs/dbraw/zinc/95/90/77/570959077.db2.gz SEOTUMPKDVMMPB-MSUUIHNZSA-N 0 0 396.534 4.942 50 0 GJAARN COc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000004746150 570960373 /nfs/dbraw/zinc/96/03/73/570960373.db2.gz MNFICEMUBWSFSV-UHFFFAOYSA-N 0 0 377.831 4.916 50 0 GJAARN CCCc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)n(C)n1 ZINC000004745486 570960410 /nfs/dbraw/zinc/96/04/10/570960410.db2.gz QAEMVNUVHNRNMM-UHFFFAOYSA-N 0 0 396.878 4.531 50 0 GJAARN COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 ZINC000004134719 570961612 /nfs/dbraw/zinc/96/16/12/570961612.db2.gz YTSNFHWKTQALAT-UHFFFAOYSA-N 0 0 378.862 4.564 50 0 GJAARN CCn1c2ccc(C(=O)OC)cc2s/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 ZINC000012180913 570961723 /nfs/dbraw/zinc/96/17/23/570961723.db2.gz PCSGKPZWKYZSAF-XTQSDGFTSA-N 0 0 396.512 4.548 50 0 GJAARN CCc1ccc(CNS(=O)(=O)c2cc(-c3nc(C)c(C)s3)cs2)cc1 ZINC000033297703 570961946 /nfs/dbraw/zinc/96/19/46/570961946.db2.gz AKBINACZDLHGLL-UHFFFAOYSA-N 0 0 392.571 4.529 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2s1 ZINC000033298851 570963025 /nfs/dbraw/zinc/96/30/25/570963025.db2.gz LOHHMHSTSQEUTI-UHFFFAOYSA-N 0 0 384.935 4.863 50 0 GJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(C)cc2C)[C@H](C)C(C)C)n1 ZINC000106597435 570966304 /nfs/dbraw/zinc/96/63/04/570966304.db2.gz XJEKSRRLXRJKJU-RBUKOAKNSA-N 0 0 385.552 4.866 50 0 GJAARN Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)nc1 ZINC000012223580 570967199 /nfs/dbraw/zinc/96/71/99/570967199.db2.gz FZMMQTPYEGRJFQ-UHFFFAOYSA-N 0 0 377.473 4.561 50 0 GJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1F ZINC000001368483 570967357 /nfs/dbraw/zinc/96/73/57/570967357.db2.gz TXWVOTRWJPQMGM-UHFFFAOYSA-N 0 0 393.443 4.701 50 0 GJAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1Cl ZINC000004167242 570970498 /nfs/dbraw/zinc/97/04/98/570970498.db2.gz JYOPCXTYANNPGO-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(C(F)(F)F)cc1 ZINC000004167270 570970553 /nfs/dbraw/zinc/97/05/53/570970553.db2.gz MLPUISAZOJFFPO-UHFFFAOYSA-N 0 0 395.431 4.955 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccccc1C ZINC000033312623 570971152 /nfs/dbraw/zinc/97/11/52/570971152.db2.gz TULLRXRNLASFTP-ZDUSSCGKSA-N 0 0 380.517 4.797 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)cc(C)c3)cc2oc1=O ZINC000002148395 570972208 /nfs/dbraw/zinc/97/22/08/570972208.db2.gz FZNYMSLQISAHKL-UHFFFAOYSA-N 0 0 394.467 4.793 50 0 biogenic GJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000033317628 570973554 /nfs/dbraw/zinc/97/35/54/570973554.db2.gz IKSYBHKMKCORNK-NRFANRHFSA-N 0 0 391.515 4.806 50 0 GJAARN CCOc1cc2c(cc1NC(=O)c1cc3cc(OC)ccc3nc1C)O[C@@H](C)C2 ZINC000025821612 570974158 /nfs/dbraw/zinc/97/41/58/570974158.db2.gz WLDAUAKZZGJORJ-ZDUSSCGKSA-N 0 0 392.455 4.526 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000001384048 570974673 /nfs/dbraw/zinc/97/46/73/570974673.db2.gz QTSGZTBYJAXHTF-UHFFFAOYSA-N 0 0 377.296 4.971 50 0 GJAARN CN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)cc1 ZINC000083869329 570974727 /nfs/dbraw/zinc/97/47/27/570974727.db2.gz AFOIILSNWZRXII-UHFFFAOYSA-N 0 0 393.443 4.931 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2)CC1 ZINC000252496451 570975687 /nfs/dbraw/zinc/97/56/87/570975687.db2.gz PIRSHAQLHJNLQN-UHFFFAOYSA-N 0 0 386.495 4.674 50 0 GJAARN CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1 ZINC000001388083 570976034 /nfs/dbraw/zinc/97/60/34/570976034.db2.gz MXIQLAIMHALPKF-UHFFFAOYSA-N 0 0 398.328 4.672 50 0 GJAARN CC(C)Cc1ccccc1C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000252501748 570976960 /nfs/dbraw/zinc/97/69/60/570976960.db2.gz UJGBBCHFGVUYDP-UHFFFAOYSA-N 0 0 381.516 4.511 50 0 GJAARN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000252503737 570977413 /nfs/dbraw/zinc/97/74/13/570977413.db2.gz VGJPZZQYGJLBKV-HNNXBMFYSA-N 0 0 396.434 4.803 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837444 570978863 /nfs/dbraw/zinc/97/88/63/570978863.db2.gz NWUBGRQNLNBHNO-UHFFFAOYSA-N 0 0 394.631 4.884 50 0 GJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(Cc3ccccc3)n2)cc1 ZINC000033324984 570978892 /nfs/dbraw/zinc/97/88/92/570978892.db2.gz PDAWXSBGCWLDRM-UHFFFAOYSA-N 0 0 399.450 4.653 50 0 GJAARN CN1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)[C@H](c2ccccc2)C1 ZINC000012737754 570978938 /nfs/dbraw/zinc/97/89/38/570978938.db2.gz UCBIRUCTTCARIJ-QFIPXVFZSA-N 0 0 392.474 4.534 50 0 GJAARN COc1nc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc2ccccc21 ZINC000083915484 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Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1cccnc1)CC(=O)N2 ZINC000015107629 210153211 /nfs/dbraw/zinc/15/32/11/210153211.db2.gz MABILELETHAOHT-OAHLLOKOSA-N 0 0 381.432 4.967 50 0 GJAARN COc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)c(F)c1 ZINC000015070443 210147650 /nfs/dbraw/zinc/14/76/50/210147650.db2.gz YYMRTEGCGFUWFL-UHFFFAOYSA-N 0 0 385.460 4.663 50 0 GJAARN COc1cc(Cl)c(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1OC ZINC000015016149 210142733 /nfs/dbraw/zinc/14/27/33/210142733.db2.gz LPLJLUFJAJDZFM-XGICHPGQSA-N 0 0 394.652 4.612 50 0 GJAARN COc1ccccc1CCC(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 ZINC000014996783 210141616 /nfs/dbraw/zinc/14/16/16/210141616.db2.gz ZCYWTQFKFZTOIU-UHFFFAOYSA-N 0 0 393.527 4.998 50 0 GJAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4oc(C)cc4c3)C2)c(C)c1 ZINC000014948071 210130770 /nfs/dbraw/zinc/13/07/70/210130770.db2.gz QYXPDXICGGEYPI-GOSISDBHSA-N 0 0 391.467 4.793 50 0 GJAARN C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)c1ccc(F)c(F)c1 ZINC000014853023 210130039 /nfs/dbraw/zinc/13/00/39/210130039.db2.gz 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/nfs/dbraw/zinc/10/43/62/210104362.db2.gz IKAKSTWYSHFLCN-UHFFFAOYSA-N 0 0 397.479 4.623 50 0 GJAARN COCCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccccc1 ZINC000014125593 210106060 /nfs/dbraw/zinc/10/60/60/210106060.db2.gz RGCKYLBDKFAUAC-UHFFFAOYSA-N 0 0 392.484 4.539 50 0 GJAARN CCCc1nnc(S[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)[nH]1 ZINC000014075571 210100988 /nfs/dbraw/zinc/10/09/88/210100988.db2.gz ITOIXKSXWRWROV-LJQANCHMSA-N 0 0 380.517 4.846 50 0 GJAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c1c(C1CC1)nn2C ZINC000013961021 210097871 /nfs/dbraw/zinc/09/78/71/210097871.db2.gz YNKSWOBHZHOKAL-UHFFFAOYSA-N 0 0 376.243 4.606 50 0 GJAARN O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)c1ccccc1Cl ZINC000013956541 210096842 /nfs/dbraw/zinc/09/68/42/210096842.db2.gz OFFFGPGKUSXHDB-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000013858130 210093414 /nfs/dbraw/zinc/09/34/14/210093414.db2.gz SXXOTHGDPVFARA-UHFFFAOYSA-N 0 0 382.463 4.607 50 0 GJAARN COC(=O)c1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000013726645 210085132 /nfs/dbraw/zinc/08/51/32/210085132.db2.gz YUKPBOJNTAKYBE-UHFFFAOYSA-N 0 0 386.860 4.811 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)c1 ZINC000013692389 210081739 /nfs/dbraw/zinc/08/17/39/210081739.db2.gz MZBPBUNJBQQOIG-UHFFFAOYSA-N 0 0 398.418 4.671 50 0 GJAARN COc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 ZINC000013626479 210073107 /nfs/dbraw/zinc/07/31/07/210073107.db2.gz SSQMSNXABFDREC-UHFFFAOYSA-N 0 0 385.876 4.683 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC ZINC000013640842 210074178 /nfs/dbraw/zinc/07/41/78/210074178.db2.gz MCUBBBFTWPSIEM-UHFFFAOYSA-N 0 0 375.808 4.696 50 0 GJAARN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000013633270 210073853 /nfs/dbraw/zinc/07/38/53/210073853.db2.gz ANYDFMFYKWMFBM-GOSISDBHSA-N 0 0 388.467 4.962 50 0 GJAARN CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)cc1 ZINC000013595006 210070753 /nfs/dbraw/zinc/07/07/53/210070753.db2.gz 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CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000001264218 209317603 /nfs/dbraw/zinc/31/76/03/209317603.db2.gz PEJYJTIDFDMXNJ-UHFFFAOYSA-N 0 0 378.394 4.957 50 0 GJAARN O=C(Nc1ccc(F)cc1)Nc1ccccc1C(=O)OCc1ccccc1F ZINC000001256388 209317675 /nfs/dbraw/zinc/31/76/75/209317675.db2.gz GFIISKSFDZUYOS-UHFFFAOYSA-N 0 0 382.366 4.966 50 0 GJAARN COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc4ccccc42)S3)cc1 ZINC000001473488 209331186 /nfs/dbraw/zinc/33/11/86/209331186.db2.gz ABBSVTUEQJCTOT-IBGZPJMESA-N 0 0 387.464 4.984 50 0 GJAARN O=C(Nc1ccc(Br)cn1)c1cc(Br)ccc1Cl ZINC000001499580 209330770 /nfs/dbraw/zinc/33/07/70/209330770.db2.gz NBMKLURKQSTXAX-UHFFFAOYSA-N 0 0 390.462 4.512 50 0 GJAARN CCc1ccc2nc(Nc3nc(C)c(Cc4ccc(C)cc4)c(=O)[nH]3)nc(C)c2c1 ZINC000001459774 209329013 /nfs/dbraw/zinc/32/90/13/209329013.db2.gz YWWKZSVADDXBKG-UHFFFAOYSA-N 0 0 399.498 4.535 50 0 GJAARN O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000001444760 209328353 /nfs/dbraw/zinc/32/83/53/209328353.db2.gz HGUVMOLWAPUDKG-XCVCLJGOSA-N 0 0 381.067 4.864 50 0 biogenic GJAARN O=C(Cc1ccccc1)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000001446745 209327847 /nfs/dbraw/zinc/32/78/47/209327847.db2.gz IDAWYKYWKUWUKJ-OAHLLOKOSA-N 0 0 392.113 4.807 50 0 GJAARN O=C(Cc1ccccc1)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000001446751 209327933 /nfs/dbraw/zinc/32/79/33/209327933.db2.gz SLNBHDHFSIFFDP-OAHLLOKOSA-N 0 0 392.113 4.807 50 0 GJAARN O=C(C=Cc1ccc(Cl)cc1)OCC(=O)c1ccc(Br)cc1 ZINC000001445073 209327751 /nfs/dbraw/zinc/32/77/51/209327751.db2.gz VAUDYQDLKFEOCJ-XCVCLJGOSA-N 0 0 379.637 4.542 50 0 biogenic GJAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)oc2c1 ZINC000001186751 209311798 /nfs/dbraw/zinc/31/17/98/209311798.db2.gz LSWQAQSJUMELDZ-UHFFFAOYSA-N 0 0 393.493 4.992 50 0 GJAARN CCCC(=O)NC(=S)Nc1cc(-c2nc3cc(CC)ccc3o2)ccc1C ZINC000001179684 209311108 /nfs/dbraw/zinc/31/11/08/209311108.db2.gz SZPKJOMFVDFAMR-UHFFFAOYSA-N 0 0 381.501 4.979 50 0 GJAARN Cc1ccc(C(=O)N[C@H](Nc2ccccc2F)C(Cl)(Cl)Cl)cc1 ZINC000001231033 209316737 /nfs/dbraw/zinc/31/67/37/209316737.db2.gz LXGFOVYAJYIJAP-HNNXBMFYSA-N 0 0 375.658 4.672 50 0 GJAARN O=S(=O)(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 ZINC000001163283 209309325 /nfs/dbraw/zinc/30/93/25/209309325.db2.gz NFKWKQXJSFIYNN-UHFFFAOYSA-N 0 0 384.844 4.949 50 0 GJAARN OC(c1ccc(NC(=S)Nc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F ZINC000001171014 209310221 /nfs/dbraw/zinc/31/02/21/209310221.db2.gz KHTGWSNQIKIQNH-UHFFFAOYSA-N 0 0 394.340 4.808 50 0 GJAARN COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000001176027 209309559 /nfs/dbraw/zinc/30/95/59/209309559.db2.gz KSDRLMDMGQBKLC-UHFFFAOYSA-N 0 0 385.423 4.593 50 0 GJAARN CCC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000001141617 209304736 /nfs/dbraw/zinc/30/47/36/209304736.db2.gz PCWKUDYGXVJIFD-UHFFFAOYSA-N 0 0 385.423 4.798 50 0 GJAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1C ZINC000001123008 209303681 /nfs/dbraw/zinc/30/36/81/209303681.db2.gz QEOJHDZRKGXNMN-UHFFFAOYSA-N 0 0 391.452 4.831 50 0 GJAARN COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC ZINC000001140491 209305044 /nfs/dbraw/zinc/30/50/44/209305044.db2.gz YFAMWPSJJTVMFM-UHFFFAOYSA-N 0 0 379.412 4.757 50 0 GJAARN Cc1cc(C(=O)OC(C)C)c(NC(=O)Cc2ccc(Br)cc2)s1 ZINC000001114379 209302868 /nfs/dbraw/zinc/30/28/68/209302868.db2.gz ZUDYPXRINYLDNZ-UHFFFAOYSA-N 0 0 396.306 4.565 50 0 GJAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001113809 209303025 /nfs/dbraw/zinc/30/30/25/209303025.db2.gz ZTNDCORNAHDNMD-UHFFFAOYSA-N 0 0 382.847 4.689 50 0 GJAARN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 ZINC000001089443 209300041 /nfs/dbraw/zinc/30/00/41/209300041.db2.gz QPXNWPCWYBPIJF-QGZVFWFLSA-N 0 0 384.907 4.765 50 0 GJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2c(=O)o1 ZINC000001095822 209300201 /nfs/dbraw/zinc/30/02/01/209300201.db2.gz QWOWUHOMASRFEM-UHFFFAOYSA-N 0 0 383.447 4.745 50 0 GJAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1Cl ZINC000001081641 209298485 /nfs/dbraw/zinc/29/84/85/209298485.db2.gz HIPRBJJSSLEBEO-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN O=C1CS[C@H](c2ccc(Br)cc2)N1c1nc2ccccc2s1 ZINC000001084492 209297742 /nfs/dbraw/zinc/29/77/42/209297742.db2.gz URVIYCUUDYECQL-OAHLLOKOSA-N 0 0 391.315 4.837 50 0 GJAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000001073322 209296556 /nfs/dbraw/zinc/29/65/56/209296556.db2.gz QJXKDBJGNABVDS-UHFFFAOYSA-N 0 0 397.434 4.629 50 0 GJAARN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(I)c2)cc1 ZINC000001066142 209295362 /nfs/dbraw/zinc/29/53/62/209295362.db2.gz WPRZIBDUYZMYGQ-LBPRGKRZSA-N 0 0 397.281 4.719 50 0 GJAARN CC(C)NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000001057097 209294356 /nfs/dbraw/zinc/29/43/56/209294356.db2.gz FPFOZEYWZAQULG-UHFFFAOYSA-N 0 0 386.495 4.986 50 0 GJAARN CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000001037647 209290931 /nfs/dbraw/zinc/29/09/31/209290931.db2.gz OUGHAXAUJATQGA-UHFFFAOYSA-N 0 0 393.317 4.881 50 0 GJAARN O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)NCC1CC1 ZINC000001032800 209290568 /nfs/dbraw/zinc/29/05/68/209290568.db2.gz KIWNJCIOUUMATH-UHFFFAOYSA-N 0 0 378.259 4.777 50 0 GJAARN CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccco2)c1 ZINC000001006606 209288779 /nfs/dbraw/zinc/28/87/79/209288779.db2.gz LYVLEWXUISENPG-UHFFFAOYSA-N 0 0 384.819 4.836 50 0 GJAARN CCOc1ccc(OCc2cccc(C(=O)OCC(F)(F)C(F)F)c2)cc1 ZINC000001009088 209288576 /nfs/dbraw/zinc/28/85/76/209288576.db2.gz LKTHUODPNWVLAK-UHFFFAOYSA-N 0 0 386.341 4.722 50 0 GJAARN COc1ccccc1/C=C1\SC(=O)N(CNc2ccc(C)c(Cl)c2)C1=O ZINC000001029811 209290055 /nfs/dbraw/zinc/29/00/55/209290055.db2.gz OLISSAYDFDWGPI-MFOYZWKCSA-N 0 0 388.876 4.763 50 0 GJAARN Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)Nc1ccccc1 ZINC000001030361 209289831 /nfs/dbraw/zinc/28/98/31/209289831.db2.gz NDISQZHTWIHTFX-UHFFFAOYSA-N 0 0 378.329 4.889 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000001009085 209289348 /nfs/dbraw/zinc/28/93/48/209289348.db2.gz HVCAPTGDTJFPOR-UHFFFAOYSA-N 0 0 389.776 4.687 50 0 GJAARN Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000000980772 209284519 /nfs/dbraw/zinc/28/45/19/209284519.db2.gz WWOSYJCEUVYUFS-CPNJWEJPSA-N 0 0 390.464 4.832 50 0 GJAARN CCOC(=O)c1c(C)sc(Sc2ccc(Cl)cc2N)c1OC(C)=O ZINC000000978738 209284527 /nfs/dbraw/zinc/28/45/27/209284527.db2.gz SRSSEZYDVWPURQ-UHFFFAOYSA-N 0 0 385.894 4.545 50 0 GJAARN O=C(Nc1ccccc1F)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919322 209279775 /nfs/dbraw/zinc/27/97/75/209279775.db2.gz BNKUPZYYAVXBDX-DOMZBBRYSA-N 0 0 394.328 4.528 50 0 GJAARN Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3cccc(C)c3C)cs2)c1 ZINC000009625576 209279819 /nfs/dbraw/zinc/27/98/19/209279819.db2.gz JPMPCKBKMSDSQB-UHFFFAOYSA-N 0 0 394.500 4.894 50 0 GJAARN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000942700 209280730 /nfs/dbraw/zinc/28/07/30/209280730.db2.gz DUCYQCQUHPWKHH-SFHVURJKSA-N 0 0 386.831 4.834 50 0 biogenic GJAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 ZINC000000900987 209278216 /nfs/dbraw/zinc/27/82/16/209278216.db2.gz JJWFFRWHTYYLAQ-ZDUSSCGKSA-N 0 0 395.450 4.656 50 0 GJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000901907 209278282 /nfs/dbraw/zinc/27/82/82/209278282.db2.gz RRBKVTOSOACLBE-VXGBXAGGSA-N 0 0 399.438 4.637 50 0 GJAARN CC[C@@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901086 209277477 /nfs/dbraw/zinc/27/74/77/209277477.db2.gz CUHNRKKWXFFOAW-NEPJUHHUSA-N 0 0 383.439 4.558 50 0 GJAARN COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccc(Cl)cc1 ZINC000000866309 209274153 /nfs/dbraw/zinc/27/41/53/209274153.db2.gz CTGFAFMNPSAKTN-UHFFFAOYSA-N 0 0 389.904 4.729 50 0 GJAARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc1 ZINC000000850294 209272283 /nfs/dbraw/zinc/27/22/83/209272283.db2.gz GGDRWMQYQZOCHE-UHFFFAOYSA-N 0 0 386.407 4.827 50 0 GJAARN Cc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000000847586 209272395 /nfs/dbraw/zinc/27/23/95/209272395.db2.gz UUCUQECFXDFQRZ-UHFFFAOYSA-N 0 0 389.274 4.783 50 0 GJAARN CCOc1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ZINC000000824907 209269010 /nfs/dbraw/zinc/26/90/10/209269010.db2.gz CTQJKPWXAGKQOV-CQSZACIVSA-N 0 0 393.723 4.685 50 0 GJAARN COc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000000803506 209266567 /nfs/dbraw/zinc/26/65/67/209266567.db2.gz BBQHXBZSCBWSIM-UHFFFAOYSA-N 0 0 390.464 4.989 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000000799432 209266345 /nfs/dbraw/zinc/26/63/45/209266345.db2.gz WMWSIYWJJUUADX-UHFFFAOYSA-N 0 0 377.469 4.965 50 0 GJAARN CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000000784770 209265498 /nfs/dbraw/zinc/26/54/98/209265498.db2.gz RNEDADJWCNPQEE-OAHLLOKOSA-N 0 0 390.405 4.820 50 0 GJAARN CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1C ZINC000000779158 209263370 /nfs/dbraw/zinc/26/33/70/209263370.db2.gz HWOJHVFEYJGDAX-UHFFFAOYSA-N 0 0 386.908 4.658 50 0 GJAARN CC(=O)c1cccc(NC(=O)CSCc2cccc(Br)c2)c1 ZINC000000763020 209263383 /nfs/dbraw/zinc/26/33/83/209263383.db2.gz MJJYGSHHIRZKQK-UHFFFAOYSA-N 0 0 378.291 4.524 50 0 GJAARN Cn1c(COc2ccc(C3CCCCC3)cc2)nn(CN2CCCC2)c1=S ZINC000000716355 209262033 /nfs/dbraw/zinc/26/20/33/209262033.db2.gz RAPOYVOFMUKUDR-UHFFFAOYSA-N 0 0 386.565 4.631 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(I)c1 ZINC000000710859 209262081 /nfs/dbraw/zinc/26/20/81/209262081.db2.gz XFZPLBHCTYLFHW-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN COc1cc(-c2nc3scc(-c4ccccc4)c3c(=O)o2)cc(OC)c1OC ZINC000000709054 209261887 /nfs/dbraw/zinc/26/18/87/209261887.db2.gz WQCLZEKRHLJMFQ-UHFFFAOYSA-N 0 0 395.436 4.609 50 0 GJAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1C ZINC000000692425 209260432 /nfs/dbraw/zinc/26/04/32/209260432.db2.gz IRARNDBUDHGVBC-UHFFFAOYSA-N 0 0 389.411 4.631 50 0 GJAARN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000681075 209259681 /nfs/dbraw/zinc/25/96/81/209259681.db2.gz ATAHDIDFSGXVHM-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN COc1cc(C)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1C(C)C ZINC000000686799 209259691 /nfs/dbraw/zinc/25/96/91/209259691.db2.gz MBTFSZRTGPEDKK-UDWIEESQSA-N 0 0 378.472 4.528 50 0 GJAARN COc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000000682202 209259330 /nfs/dbraw/zinc/25/93/30/209259330.db2.gz CAWNGUOMOKAJSA-UHFFFAOYSA-N 0 0 395.842 4.597 50 0 GJAARN CCOc1ccc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1C ZINC000000671889 209258062 /nfs/dbraw/zinc/25/80/62/209258062.db2.gz BJVRMYAUTWDLKQ-IBGZPJMESA-N 0 0 394.500 4.861 50 0 GJAARN COC(=O)c1c(NC(=O)C(F)(F)F)sc(C)c1-c1cccc(Cl)c1 ZINC000000676356 209258115 /nfs/dbraw/zinc/25/81/15/209258115.db2.gz OCYAPTRWMOILRS-UHFFFAOYSA-N 0 0 377.771 4.664 50 0 GJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1 ZINC000000676570 209257699 /nfs/dbraw/zinc/25/76/99/209257699.db2.gz DVNCGJGVHQURGI-UHFFFAOYSA-N 0 0 386.908 4.658 50 0 GJAARN CO[C@]12C=C[C@H](c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1 ZINC000000651201 209255807 /nfs/dbraw/zinc/25/58/07/209255807.db2.gz BYJSNFYGRMNWPX-UOWDBTKRSA-N 0 0 382.070 4.942 50 0 GJAARN Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C)C(=O)c3ccccc3)c2)cc1 ZINC000000670172 209256497 /nfs/dbraw/zinc/25/64/97/209256497.db2.gz QBBRKQLVCDLYPE-QGZVFWFLSA-N 0 0 387.435 4.676 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(C)ccc3n2)cc1 ZINC000000653410 209255856 /nfs/dbraw/zinc/25/58/56/209255856.db2.gz AMNIDWHBQWCVOA-IBGZPJMESA-N 0 0 390.483 4.518 50 0 GJAARN CSc1nc(Oc2cccc3ccccc32)cc(-n2ncc(C(C)=O)c2C)n1 ZINC000000633047 209253143 /nfs/dbraw/zinc/25/31/43/209253143.db2.gz XWNQHEZRLZTJTM-UHFFFAOYSA-N 0 0 390.468 4.841 50 0 GJAARN Cc1cc(OCCCC(=O)OCC(=O)Nc2ccccc2Cl)ccc1Cl ZINC000009248480 209255101 /nfs/dbraw/zinc/25/51/01/209255101.db2.gz MHISNYPGHCTTTF-UHFFFAOYSA-N 0 0 396.270 4.643 50 0 GJAARN Clc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 ZINC000000634000 209252686 /nfs/dbraw/zinc/25/26/86/209252686.db2.gz VYCJGBJBVBQXLR-HZPDHXFCSA-N 0 0 389.684 4.840 50 0 GJAARN COc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc(OC)c1OC ZINC000000641172 209254276 /nfs/dbraw/zinc/25/42/76/209254276.db2.gz HVXKSEZWHMYECO-UHFFFAOYSA-N 0 0 390.650 4.925 50 0 GJAARN C[C@H](O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1 ZINC000000642789 209254321 /nfs/dbraw/zinc/25/43/21/209254321.db2.gz ZVRBXEOJODKIFK-VIFPVBQESA-N 0 0 399.082 4.517 50 0 GJAARN COc1ccc(C(=O)[C@@H](C)OC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000000644548 209253766 /nfs/dbraw/zinc/25/37/66/209253766.db2.gz HHUGCPCECLCZPG-OAHLLOKOSA-N 0 0 389.451 4.550 50 0 GJAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1Cl ZINC000000628593 209252046 /nfs/dbraw/zinc/25/20/46/209252046.db2.gz KKAQHCPNQGCELR-KRWDZBQOSA-N 0 0 388.254 4.805 50 0 GJAARN Cc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000097003054 209241796 /nfs/dbraw/zinc/24/17/96/209241796.db2.gz MFDIAQJBMRXQSF-MHWRWJLKSA-N 0 0 387.867 4.653 50 0 GJAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4)ccc3oc2=O)cc1 ZINC000004340723 209231671 /nfs/dbraw/zinc/23/16/71/209231671.db2.gz JISJLZHLEBPVSM-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 GJAARN COc1ccc(-c2coc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000002155928 209229152 /nfs/dbraw/zinc/22/91/52/209229152.db2.gz UZWRXYKNZYKZES-UHFFFAOYSA-N 0 0 386.403 4.730 50 0 biogenic GJAARN O=C(Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O)C1CC1 ZINC000002414916 209230082 /nfs/dbraw/zinc/23/00/82/209230082.db2.gz SDWXBCNLXWBJJI-UHFFFAOYSA-N 0 0 385.213 4.538 50 0 GJAARN COc1ccccc1Oc1c(C)oc2cc(OC(=O)C(C)(C)C)ccc2c1=O ZINC000002415747 209229817 /nfs/dbraw/zinc/22/98/17/209229817.db2.gz PAEHFDAJXXMNFY-UHFFFAOYSA-N 0 0 382.412 4.854 50 0 biogenic GJAARN COCCn1ccc2c1cccc2NC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263587815 209224731 /nfs/dbraw/zinc/22/47/31/209224731.db2.gz LONGCCJWUFWZDF-NRFANRHFSA-N 0 0 393.512 4.769 50 0 GJAARN CCOC(=O)c1sc(NC(=O)[C@@H](C(C)C)n2cccc2)nc1-c1ccccc1 ZINC000263588035 209224295 /nfs/dbraw/zinc/22/42/95/209224295.db2.gz OEZZLWHKUUTOAB-QGZVFWFLSA-N 0 0 397.500 4.624 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000253405732 209218934 /nfs/dbraw/zinc/21/89/34/209218934.db2.gz IKRXILKJBRMUDZ-LJQANCHMSA-N 0 0 398.414 4.915 50 0 biogenic GJAARN Cc1cc2sc(N3CCC[C@H](C(=O)N[C@H]4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000245257907 209217340 /nfs/dbraw/zinc/21/73/40/209217340.db2.gz HIOKJNISYQXLES-NJAFHUGGSA-N 0 0 385.577 4.824 50 0 GJAARN COC(=O)c1ccc2c(c1)nc(C(Cl)=Cc1ccc(SC)cc1)[nH]c2=O ZINC000033476455 209191338 /nfs/dbraw/zinc/19/13/38/209191338.db2.gz ROBDNVOZOKKUQF-OQLLNIDSSA-N 0 0 386.860 4.581 50 0 GJAARN O=C(NCCC1=CCCCC1)c1cc(Br)ccc1Br ZINC000000682936 209191082 /nfs/dbraw/zinc/19/10/82/209191082.db2.gz YKUZQPHLGJPOKX-UHFFFAOYSA-N 0 0 387.115 4.832 50 0 GJAARN CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405100 212061288 /nfs/dbraw/zinc/06/12/88/212061288.db2.gz DWLHARQLRSDOLH-UHFFFAOYSA-N 0 0 378.432 4.760 50 0 GJAARN COc1ccc(C)nc1-c1cccc(C(=O)N2CCCC[C@H]2c2cccnc2)c1 ZINC000299800282 212041375 /nfs/dbraw/zinc/04/13/75/212041375.db2.gz XMXFUZWZZQOFQZ-NRFANRHFSA-N 0 0 387.483 4.828 50 0 GJAARN COc1ccc(Cl)cc1-c1cccc(C(=O)N(C)[C@@H](C)c2nc(C)no2)c1 ZINC000299803197 212040825 /nfs/dbraw/zinc/04/08/25/212040825.db2.gz ZTMZAGQRVFPCER-LBPRGKRZSA-N 0 0 385.851 4.540 50 0 GJAARN Cc1nccc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3nccs3)c2)n1 ZINC000299802790 212040486 /nfs/dbraw/zinc/04/04/86/212040486.db2.gz PVTCJUHHWMBVMX-GOSISDBHSA-N 0 0 379.489 4.668 50 0 GJAARN Cc1nc(Cl)ccc1NC(=O)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000299781969 212037581 /nfs/dbraw/zinc/03/75/81/212037581.db2.gz RYBDZLFNBTXFKI-CQSZACIVSA-N 0 0 377.847 4.505 50 0 GJAARN Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000299800457 212040294 /nfs/dbraw/zinc/04/02/94/212040294.db2.gz VWXNSCGPMZBIBR-LJQANCHMSA-N 0 0 377.444 4.564 50 0 GJAARN FC(F)Oc1c(Br)cc(Br)cc1OC(F)(F)F ZINC000263624240 212031403 /nfs/dbraw/zinc/03/14/03/212031403.db2.gz OOFTYIQRWGEZJG-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)cs1 ZINC000009052944 203839263 /nfs/dbraw/zinc/83/92/63/203839263.db2.gz WWHYTQWCFZNXIF-INIZCTEOSA-N 0 0 380.513 4.553 50 0 GJAARN Cc1c2ccc(OCC(=O)c3ccccc3)cc2oc(=O)c1Cc1ccccc1 ZINC000000634065 203843732 /nfs/dbraw/zinc/84/37/32/203843732.db2.gz HZXLBMFNLOLTMB-UHFFFAOYSA-N 0 0 384.431 4.954 50 0 GJAARN CCCc1cc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cs1 ZINC000000650796 203845367 /nfs/dbraw/zinc/84/53/67/203845367.db2.gz GQWMNOSEPCGKTA-NSHDSACASA-N 0 0 377.531 4.926 50 0 GJAARN O=C(Nc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1)c1ccco1 ZINC000000658327 203845448 /nfs/dbraw/zinc/84/54/48/203845448.db2.gz JCWXJAOQGTWKNM-UHFFFAOYSA-N 0 0 388.467 4.774 50 0 GJAARN COc1c(C)cnc(CN(C)C(=O)/C=C\c2c(Cl)cccc2Cl)c1C ZINC000096187974 203831787 /nfs/dbraw/zinc/83/17/87/203831787.db2.gz PIISUEACAHGDQV-HJWRWDBZSA-N 0 0 379.287 4.686 50 0 GJAARN O=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccc(Cl)cc1 ZINC000000704359 203848912 /nfs/dbraw/zinc/84/89/12/203848912.db2.gz MZDZHHPCHVVACP-UHFFFAOYSA-N 0 0 375.811 4.863 50 0 GJAARN COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(=O)c1ccc(F)cc1 ZINC000000834001 203856688 /nfs/dbraw/zinc/85/66/88/203856688.db2.gz RQTYFJBCAZSIRM-UHFFFAOYSA-N 0 0 383.444 4.825 50 0 GJAARN O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccnc1 ZINC000000848961 203859721 /nfs/dbraw/zinc/85/97/21/203859721.db2.gz MYNWGHHZUFRRGE-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)c(C)c1 ZINC000000888474 203862214 /nfs/dbraw/zinc/86/22/14/203862214.db2.gz ZHZYTNSZHOXVRP-UHFFFAOYSA-N 0 0 383.542 4.918 50 0 GJAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 ZINC000000986193 203870757 /nfs/dbraw/zinc/87/07/57/203870757.db2.gz DKBTXRRQBQLTSR-OAHLLOKOSA-N 0 0 386.542 4.575 50 0 GJAARN Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N3CCOCC3)c2c1 ZINC000000993200 203871376 /nfs/dbraw/zinc/87/13/76/203871376.db2.gz MUTLVPOQDNOFDT-UHFFFAOYSA-N 0 0 394.902 4.953 50 0 GJAARN Cc1csc2sc(-c3ccnc(SCC(=O)NC(C)C)n3)c(C)c12 ZINC000001038290 203875884 /nfs/dbraw/zinc/87/58/84/203875884.db2.gz JAWJIUROQLGMTF-UHFFFAOYSA-N 0 0 377.560 4.653 50 0 GJAARN Cn1c(COc2ccccc2)nnc1SCc1c(Cl)cccc1Cl ZINC000001076973 203881008 /nfs/dbraw/zinc/88/10/08/203881008.db2.gz IBUJJKVMPAZIOT-UHFFFAOYSA-N 0 0 380.300 4.993 50 0 GJAARN COc1cccc(C(=O)NCC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)c1 ZINC000001109407 203884581 /nfs/dbraw/zinc/88/45/81/203884581.db2.gz RWCALBVMIFKSOO-XMMPIXPASA-N 0 0 381.516 4.651 50 0 GJAARN CCOc1ccc(Br)cc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000001130950 203887201 /nfs/dbraw/zinc/88/72/01/203887201.db2.gz WUEKTNFHHJSSMR-CQSZACIVSA-N 0 0 376.294 4.599 50 0 GJAARN Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NC[C@H]1CCCO1 ZINC000001469221 203911314 /nfs/dbraw/zinc/91/13/14/203911314.db2.gz FUPUTEUMRXAWPI-QGZVFWFLSA-N 0 0 380.875 4.772 50 0 GJAARN CCCOC(=O)c1c2c(sc1NC(=O)c1cccnc1Cl)C[C@H](C)CC2 ZINC000002093192 203927434 /nfs/dbraw/zinc/92/74/34/203927434.db2.gz OIISENRKAFLXGX-LLVKDONJSA-N 0 0 392.908 4.740 50 0 GJAARN O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(Br)c1 ZINC000002311144 203937812 /nfs/dbraw/zinc/93/78/12/203937812.db2.gz GYUPMJBFUIMBTP-UHFFFAOYSA-N 0 0 377.241 4.815 50 0 GJAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000002316843 203938341 /nfs/dbraw/zinc/93/83/41/203938341.db2.gz XCWHGBXXPFNNAB-UHFFFAOYSA-N 0 0 394.324 4.755 50 0 GJAARN CCSc1nc2sc3c(c2c(NCc2ccco2)n1)CC(C)(C)OC3 ZINC000002367922 203939745 /nfs/dbraw/zinc/93/97/45/203939745.db2.gz AZFRCRRXKYMDHB-UHFFFAOYSA-N 0 0 375.519 4.860 50 0 GJAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccccc1 ZINC000002430564 203944416 /nfs/dbraw/zinc/94/44/16/203944416.db2.gz BIVUPNIUXPONHS-RBUKOAKNSA-N 0 0 385.467 4.522 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000001219028 203898225 /nfs/dbraw/zinc/89/82/25/203898225.db2.gz KPLVBPYGIPVZAK-UHFFFAOYSA-N 0 0 376.387 4.960 50 0 GJAARN CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(OCC)cc1 ZINC000002720831 203958808 /nfs/dbraw/zinc/95/88/08/203958808.db2.gz DVKHOMCEFCMSCY-UHFFFAOYSA-N 0 0 379.485 4.768 50 0 GJAARN COC(=O)c1cc(Sc2ccccc2)sc1NC(=O)c1ccc(OC)cc1 ZINC000002755209 203960585 /nfs/dbraw/zinc/96/05/85/203960585.db2.gz LLERRTONKNUJIX-UHFFFAOYSA-N 0 0 399.493 4.947 50 0 GJAARN Cc1sc(NC(=O)c2ccncc2)c(C(=O)OC(C)C)c1-c1ccccc1 ZINC000002761827 203961044 /nfs/dbraw/zinc/96/10/44/203961044.db2.gz RTXCEUHHGQXYIC-UHFFFAOYSA-N 0 0 380.469 4.936 50 0 GJAARN S=C(NNC(=S)Nc1cccc2ccccc21)Nc1ccc(Cl)cc1 ZINC000002858355 203969289 /nfs/dbraw/zinc/96/92/89/203969289.db2.gz MWOROGQLTNMJLO-UHFFFAOYSA-N 0 0 386.933 4.681 50 0 GJAARN COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1 ZINC000002872575 203971461 /nfs/dbraw/zinc/97/14/61/203971461.db2.gz JJAQZDAUNYOOOH-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(Cl)cc2)N1C1CCCC1 ZINC000003039024 203982867 /nfs/dbraw/zinc/98/28/67/203982867.db2.gz RXLVJTRUPKEFGE-NRFANRHFSA-N 0 0 388.939 4.717 50 0 GJAARN CCOC(=O)C(C(=O)OCC)[C@H](Nc1ccc2ccccc2c1)c1ccccc1 ZINC000003180054 203989219 /nfs/dbraw/zinc/98/92/19/203989219.db2.gz VRXGCOSVMAPACL-JOCHJYFZSA-N 0 0 391.467 4.735 50 0 GJAARN Cc1cnc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)s1 ZINC000002639524 203953167 /nfs/dbraw/zinc/95/31/67/203953167.db2.gz KWZKAEKKAZDPKL-KRWDZBQOSA-N 0 0 399.903 4.605 50 0 GJAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(F)cc2)c2cccs2)cc1 ZINC000002669868 203955173 /nfs/dbraw/zinc/95/51/73/203955173.db2.gz CDJDTRCCCLFIFD-HXUWFJFHSA-N 0 0 388.485 4.984 50 0 GJAARN CCC(C)(C)c1ccc(OCCCC(=O)O[C@@H](C)C(N)=O)c(C(C)(C)CC)c1 ZINC000002663308 203955949 /nfs/dbraw/zinc/95/59/49/203955949.db2.gz YDXYHCSBOWCYKF-INIZCTEOSA-N 0 0 391.552 4.638 50 0 GJAARN Cn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(C(F)(F)F)cc1 ZINC000002720599 203957377 /nfs/dbraw/zinc/95/73/77/203957377.db2.gz PNPHXSYVFDFTGX-UHFFFAOYSA-N 0 0 389.402 4.726 50 0 GJAARN O=C(Nc1cccc(Cl)c1Cl)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000004299448 204036680 /nfs/dbraw/zinc/03/66/80/204036680.db2.gz BHQXGUAVYAGJKR-UHFFFAOYSA-N 0 0 396.293 4.872 50 0 GJAARN C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004332260 204039909 /nfs/dbraw/zinc/03/99/09/204039909.db2.gz BWMXYDXSKFFWIS-ZDUSSCGKSA-N 0 0 392.436 4.740 50 0 GJAARN COc1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2F)c1 ZINC000004357545 204040162 /nfs/dbraw/zinc/04/01/62/204040162.db2.gz QYLYOJDEGXNJQT-UHFFFAOYSA-N 0 0 381.432 4.967 50 0 GJAARN O=C(NCCc1nc2ccccc2n1Cc1cccc(Cl)c1)C1CCCCC1 ZINC000004384995 204043455 /nfs/dbraw/zinc/04/34/55/204043455.db2.gz OGGJYPQCXXMZLP-UHFFFAOYSA-N 0 0 395.934 4.977 50 0 GJAARN O=C(Nc1nnc(C2CC2)s1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003364236 204001827 /nfs/dbraw/zinc/00/18/27/204001827.db2.gz WWMGYKOQNHTTFX-UHFFFAOYSA-N 0 0 387.468 4.521 50 0 GJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)c1cc(C)c(C)cc1C ZINC000003355790 204002072 /nfs/dbraw/zinc/00/20/72/204002072.db2.gz ZYOAUEFYKVVNQW-UHFFFAOYSA-N 0 0 395.528 4.777 50 0 GJAARN CCOc1ccccc1OCCCC(=O)Nc1ccc(Br)cc1C ZINC000003386190 204002301 /nfs/dbraw/zinc/00/23/01/204002301.db2.gz ZUDPQLAUJGQOGJ-UHFFFAOYSA-N 0 0 392.293 4.954 50 0 GJAARN CC[C@@H](C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000003371069 204002572 /nfs/dbraw/zinc/00/25/72/204002572.db2.gz JUXWVRYZKQXNJZ-JOCHJYFZSA-N 0 0 387.479 4.629 50 0 GJAARN COc1ccc(Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 ZINC000003370073 204002602 /nfs/dbraw/zinc/00/26/02/204002602.db2.gz YGXCAGFUVOKDQF-UHFFFAOYSA-N 0 0 397.485 4.633 50 0 GJAARN C[C@H]1Sc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2NC1=O ZINC000003371474 204002614 /nfs/dbraw/zinc/00/26/14/204002614.db2.gz UECQDWAQHPJZBO-OAHLLOKOSA-N 0 0 388.492 4.962 50 0 GJAARN Cc1cc2oc(=O)cc(COC(=O)CSCc3ccc(F)cc3)c2cc1C ZINC000003409024 204004418 /nfs/dbraw/zinc/00/44/18/204004418.db2.gz HZNYUTACWOSPAT-UHFFFAOYSA-N 0 0 386.444 4.526 50 0 GJAARN C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003423380 204005076 /nfs/dbraw/zinc/00/50/76/204005076.db2.gz ZWJPNTAVJIPSGI-VIFPVBQESA-N 0 0 392.889 4.798 50 0 aggregator GJAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000003422391 204005412 /nfs/dbraw/zinc/00/54/12/204005412.db2.gz CYAONXFZRGDYAS-IBGZPJMESA-N 0 0 387.479 4.755 50 0 GJAARN COc1ccc(C)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000003432826 204006152 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CC(C)c1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)C2CC2)cc1 ZINC000006836677 204213640 /nfs/dbraw/zinc/21/36/40/204213640.db2.gz DIEIMDPQVLNZNK-JOCHJYFZSA-N 0 0 380.513 4.937 50 0 GJAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1)c1ccccc1 ZINC000006833514 204213949 /nfs/dbraw/zinc/21/39/49/204213949.db2.gz UUBXTSRZEVPUBS-JOCHJYFZSA-N 0 0 392.455 4.857 50 0 GJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2NC(=O)C2CCCC2)cc1 ZINC000006836234 204214087 /nfs/dbraw/zinc/21/40/87/204214087.db2.gz CBJPZOFZUKGDOE-QFIPXVFZSA-N 0 0 380.513 4.902 50 0 GJAARN O=C(C1CCCC1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000006872940 204217379 /nfs/dbraw/zinc/21/73/79/204217379.db2.gz DSHNAZWTUMMDEU-NRFANRHFSA-N 0 0 380.463 4.538 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000006235572 204170888 /nfs/dbraw/zinc/17/08/88/204170888.db2.gz VWENSDYSSOZOGE-UHFFFAOYSA-N 0 0 388.183 4.658 50 0 GJAARN COc1ccc(CC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000006218313 204171055 /nfs/dbraw/zinc/17/10/55/204171055.db2.gz 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/nfs/dbraw/zinc/21/89/51/204218951.db2.gz ISGMQUOROXQMOJ-NSHDSACASA-N 0 0 378.881 4.890 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc2c(s1)CCC2 ZINC000006657581 204188824 /nfs/dbraw/zinc/18/88/24/204188824.db2.gz GIDYNKQSEKGUAB-IBGZPJMESA-N 0 0 387.508 4.827 50 0 GJAARN CSCC[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1 ZINC000006657831 204188961 /nfs/dbraw/zinc/18/89/61/204188961.db2.gz SWHNFRCCOGFFDC-NRFANRHFSA-N 0 0 393.556 4.595 50 0 GJAARN O=C(NC1CCCCCC1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12 ZINC000006659325 204189622 /nfs/dbraw/zinc/18/96/22/204189622.db2.gz TVAYWTZVWUBDHP-UHFFFAOYSA-N 0 0 392.474 4.850 50 0 GJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C2CC2)[C@H](C)C(C)C)c1 ZINC000006709339 204193672 /nfs/dbraw/zinc/19/36/72/204193672.db2.gz UTCBJYRWHPBIAT-QGZVFWFLSA-N 0 0 387.568 4.520 50 0 GJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(C)c2)[C@@H](C)CC)c1 ZINC000006721969 204194037 /nfs/dbraw/zinc/19/40/37/204194037.db2.gz YGXYZJRFSQJZHT-SFHVURJKSA-N 0 0 395.547 4.850 50 0 GJAARN CCCCNC(=O)C[C@H](c1cn(CC)c2ccccc12)c1ccc2c(c1)OCO2 ZINC000006713602 204194258 /nfs/dbraw/zinc/19/42/58/204194258.db2.gz UDUKLZOEHRHKRY-IBGZPJMESA-N 0 0 392.499 4.828 50 0 GJAARN COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1 ZINC000006725141 204195913 /nfs/dbraw/zinc/19/59/13/204195913.db2.gz PIGIOFZHGICNSE-UHFFFAOYSA-N 0 0 377.341 4.922 50 0 GJAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722506 204195976 /nfs/dbraw/zinc/19/59/76/204195976.db2.gz VXYFDBYNQSEWNK-INIZCTEOSA-N 0 0 387.568 4.664 50 0 GJAARN CCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)cc1 ZINC000006724502 204196080 /nfs/dbraw/zinc/19/60/80/204196080.db2.gz WNWDMJQVERRRSV-JOCHJYFZSA-N 0 0 397.544 4.660 50 0 GJAARN Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)ccc1Cl ZINC000006736986 204197721 /nfs/dbraw/zinc/19/77/21/204197721.db2.gz CSPWBXBMIMUARJ-UHFFFAOYSA-N 0 0 399.878 4.514 50 0 GJAARN COc1ccc2nc(NC(=O)c3nc(SC(C)C)ncc3Cl)sc2c1 ZINC000006748112 204198530 /nfs/dbraw/zinc/19/85/30/204198530.db2.gz 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CCc1nnc(SCC(=O)Nc2ccc(C)c(F)c2)c2cc3oc(C)cc3n21 ZINC000006894268 204221715 /nfs/dbraw/zinc/22/17/15/204221715.db2.gz CGXDLTZKESICHK-UHFFFAOYSA-N 0 0 398.463 4.525 50 0 GJAARN CCn1c(C)c(C)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc21 ZINC000006912891 204223019 /nfs/dbraw/zinc/22/30/19/204223019.db2.gz LZYCGSJBRSQTPD-UHFFFAOYSA-N 0 0 389.543 4.857 50 0 GJAARN O=C(/C=C/c1ccccc1)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000006929465 204224646 /nfs/dbraw/zinc/22/46/46/204224646.db2.gz BNFGCXVRPCBOGX-RMKNXTFCSA-N 0 0 383.753 4.554 50 0 GJAARN CCOc1ccc(-c2nc(CSC(=S)N3CCCC3)cs2)cc1OC ZINC000006943886 204226388 /nfs/dbraw/zinc/22/63/88/204226388.db2.gz AXEIEYISVCXQAO-UHFFFAOYSA-N 0 0 394.587 4.831 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000006993837 204228653 /nfs/dbraw/zinc/22/86/53/204228653.db2.gz ICODSCRDQDWWMI-UHFFFAOYSA-N 0 0 390.823 4.513 50 0 GJAARN COc1ccc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1Cl ZINC000007000639 204229293 /nfs/dbraw/zinc/22/92/93/204229293.db2.gz UXBVYVCQDIFGTG-UHFFFAOYSA-N 0 0 399.878 4.964 50 0 GJAARN CC(C)Cn1cc(NC(=O)N(C)c2cccc(Cl)c2)c2ccccc2c1=O ZINC000007000830 204229361 /nfs/dbraw/zinc/22/93/61/204229361.db2.gz FAXJWAFEJXXXAG-UHFFFAOYSA-N 0 0 383.879 4.979 50 0 GJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)O[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000007114062 204233435 /nfs/dbraw/zinc/23/34/35/204233435.db2.gz JXRBPBZVCODIBS-SSVWKNEZSA-N 0 0 390.266 4.570 50 0 GJAARN Fc1ccccc1-c1nnc(SCc2nc(-c3cccc(Cl)c3)no2)o1 ZINC000007112448 204233492 /nfs/dbraw/zinc/23/34/92/204233492.db2.gz DALZBICMMASBQW-UHFFFAOYSA-N 0 0 388.811 4.871 50 0 GJAARN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000007112967 204233916 /nfs/dbraw/zinc/23/39/16/204233916.db2.gz WAEVTRCPDRJVNT-HXUWFJFHSA-N 0 0 398.894 4.861 50 0 GJAARN COc1ccccc1Nc1nnc(SCc2cc(-c3ccco3)on2)s1 ZINC000007179861 204234773 /nfs/dbraw/zinc/23/47/73/204234773.db2.gz ZZNSSBGWMIMRSE-UHFFFAOYSA-N 0 0 386.458 4.831 50 0 GJAARN Cc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)o1 ZINC000007179927 204235509 /nfs/dbraw/zinc/23/55/09/204235509.db2.gz NPZLTRCQZYNIBX-SFHVURJKSA-N 0 0 379.485 4.501 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000007192547 204236729 /nfs/dbraw/zinc/23/67/29/204236729.db2.gz GIWLAPYICMFPJB-SNVBAGLBSA-N 0 0 377.828 4.648 50 0 GJAARN CCn1c(Cc2ccccc2)nnc1SCc1cc(-c2ccccc2)on1 ZINC000007290100 204238218 /nfs/dbraw/zinc/23/82/18/204238218.db2.gz YYIYPTRYGXELFU-UHFFFAOYSA-N 0 0 376.485 4.836 50 0 GJAARN CCOc1ccccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000007318875 204238484 /nfs/dbraw/zinc/23/84/84/204238484.db2.gz RMWCTAKBSNIBRB-UHFFFAOYSA-N 0 0 387.439 4.564 50 0 GJAARN Cc1ccc(NC(=O)[C@H](Oc2ccc(-c3nnco3)cc2)c2ccccc2)cc1 ZINC000007441084 204241419 /nfs/dbraw/zinc/24/14/19/204241419.db2.gz SMODRNBNESOYGE-OAQYLSRUSA-N 0 0 385.423 4.804 50 0 GJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCCCC1 ZINC000007608999 204243698 /nfs/dbraw/zinc/24/36/98/204243698.db2.gz LAXWVBLZORPGFE-UHFFFAOYSA-N 0 0 375.472 4.610 50 0 GJAARN Fc1cccc(-c2nnn3c2nc(NCc2ccco2)c2cc(Cl)ccc23)c1 ZINC000007615883 204243776 /nfs/dbraw/zinc/24/37/76/204243776.db2.gz WVENCBXZVIWPGB-UHFFFAOYSA-N 0 0 393.809 4.942 50 0 GJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000007640436 204244892 /nfs/dbraw/zinc/24/48/92/204244892.db2.gz DXMOOAHTYSPOMW-QHCPKHFHSA-N 0 0 388.467 4.536 50 0 GJAARN COc1ccccc1N1C[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1=O ZINC000007668684 204245360 /nfs/dbraw/zinc/24/53/60/204245360.db2.gz MDFMPEGKPVMGHS-QGZVFWFLSA-N 0 0 394.515 4.934 50 0 GJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 ZINC000007719018 204247653 /nfs/dbraw/zinc/24/76/53/204247653.db2.gz GQIHRXYOHWJUME-ZDUSSCGKSA-N 0 0 386.498 4.789 50 0 GJAARN CS(=O)(=O)c1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000007737299 204248348 /nfs/dbraw/zinc/24/83/48/204248348.db2.gz XBWJQMYZIDBFOX-UHFFFAOYSA-N 0 0 382.869 4.750 50 0 GJAARN CCc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)s1 ZINC000007763792 204249211 /nfs/dbraw/zinc/24/92/11/204249211.db2.gz GNKVIRBOEDBMAG-UHFFFAOYSA-N 0 0 375.544 4.940 50 0 GJAARN O=C(CNc1nc(-c2cccs2)nc2ccccc21)Nc1ccc(F)c(F)c1 ZINC000007779843 204249538 /nfs/dbraw/zinc/24/95/38/204249538.db2.gz PRGAGIFSVSLAQB-UHFFFAOYSA-N 0 0 396.422 4.687 50 0 GJAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000007795716 204251203 /nfs/dbraw/zinc/25/12/03/204251203.db2.gz XZMZENAEYDEPNP-UHFFFAOYSA-N 0 0 399.899 4.514 50 0 GJAARN Cc1nn2c(ncc(C(=O)N[C@@H](C)c3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000008603128 204281030 /nfs/dbraw/zinc/28/10/30/204281030.db2.gz UXXYALIPBKIFDY-AWEZNQCLSA-N 0 0 388.446 4.643 50 0 GJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000008619093 204281996 /nfs/dbraw/zinc/28/19/96/204281996.db2.gz WRNMIDHDYYFAFR-NRFANRHFSA-N 0 0 390.870 4.984 50 0 GJAARN CCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000008625535 204282158 /nfs/dbraw/zinc/28/21/58/204282158.db2.gz IDHGDPMRAUBVJG-QGZVFWFLSA-N 0 0 377.488 4.756 50 0 GJAARN COc1ccc(-c2nc3nc(C)cc(Nc4cccc(C(F)(F)F)c4)n3n2)cc1 ZINC000008613950 204282321 /nfs/dbraw/zinc/28/23/21/204282321.db2.gz DDOKJTOWUAQMTK-UHFFFAOYSA-N 0 0 399.376 4.871 50 0 GJAARN Cc1c(C[NH2+]Cc2ccccc2F)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000008611016 204282469 /nfs/dbraw/zinc/28/24/69/204282469.db2.gz TUNOLAGINCPBJH-UHFFFAOYSA-N 0 0 380.463 4.589 50 0 GJAARN Cc1cccc(C)c1NC(=S)Nc1ccccc1C(=O)NCc1ccco1 ZINC000008687301 204283611 /nfs/dbraw/zinc/28/36/11/204283611.db2.gz JVRROQWQRJGPOV-UHFFFAOYSA-N 0 0 379.485 4.635 50 0 GJAARN Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2)n1 ZINC000008664938 204283655 /nfs/dbraw/zinc/28/36/55/204283655.db2.gz VFBHGJZQGKIPHM-JOCHJYFZSA-N 0 0 396.446 4.863 50 0 GJAARN C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000008705262 204284270 /nfs/dbraw/zinc/28/42/70/204284270.db2.gz ALISWQVMAQJIRY-OAHLLOKOSA-N 0 0 384.439 4.636 50 0 GJAARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008746336 204286969 /nfs/dbraw/zinc/28/69/69/204286969.db2.gz ZGCHPJSOIONPRG-LLVKDONJSA-N 0 0 379.407 4.711 50 0 GJAARN Cc1nnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)[nH]1 ZINC000008762420 204288653 /nfs/dbraw/zinc/28/86/53/204288653.db2.gz JYXKPLMLMAALGP-OAHLLOKOSA-N 0 0 392.406 4.604 50 0 GJAARN CSc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1 ZINC000008748273 204288834 /nfs/dbraw/zinc/28/88/34/204288834.db2.gz FIFVLBZZPOHNEH-UHFFFAOYSA-N 0 0 377.263 4.800 50 0 GJAARN Cc1cc(C(=O)COc2cccc3c2CCC[C@H]3O)c(C)n1Cc1cccs1 ZINC000008751119 204288976 /nfs/dbraw/zinc/28/89/76/204288976.db2.gz ZEUHXJYICDXWSK-OAQYLSRUSA-N 0 0 395.524 4.846 50 0 GJAARN CCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000008869562 204292491 /nfs/dbraw/zinc/29/24/91/204292491.db2.gz BVHFTKYLNSFFKD-NRFANRHFSA-N 0 0 387.907 4.950 50 0 GJAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccc3ccccc32)cc1 ZINC000009065465 204298516 /nfs/dbraw/zinc/29/85/16/204298516.db2.gz VKYYDDDCHGMQCD-OAQYLSRUSA-N 0 0 383.451 4.817 50 0 GJAARN Cc1cc(C(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c(C)n1Cc1ccco1 ZINC000008922712 204294274 /nfs/dbraw/zinc/29/42/74/204294274.db2.gz ZHHVPAZLKPXNCW-CYBMUJFWSA-N 0 0 395.430 4.837 50 0 GJAARN Cn1c(SCc2cc3c(c(Cl)c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000008983050 204295092 /nfs/dbraw/zinc/29/50/92/204295092.db2.gz QJIXMQCKONPWLD-UHFFFAOYSA-N 0 0 394.283 4.810 50 0 GJAARN COC(=O)CCS[C@@H]1c2ccccc2C(=O)N1[C@H]1CCCc2ccccc21 ZINC000008984869 204296043 /nfs/dbraw/zinc/29/60/43/204296043.db2.gz LYOYVIFVFMGDFZ-SIKLNZKXSA-N 0 0 381.497 4.515 50 0 GJAARN CCC(=O)c1ccc(OCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008074465 204260306 /nfs/dbraw/zinc/26/03/06/204260306.db2.gz VPEYAGKIWQCHKI-JOCHJYFZSA-N 0 0 395.499 4.811 50 0 GJAARN CCC(=O)c1ccc(OCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000008074467 204260690 /nfs/dbraw/zinc/26/06/90/204260690.db2.gz VPEYAGKIWQCHKI-QFIPXVFZSA-N 0 0 395.499 4.811 50 0 GJAARN CSc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000008049278 204260933 /nfs/dbraw/zinc/26/09/33/204260933.db2.gz PUTRGGXNPFOKNE-UHFFFAOYSA-N 0 0 377.556 4.905 50 0 GJAARN COc1ccccc1[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)N(C)C ZINC000008088757 204261860 /nfs/dbraw/zinc/26/18/60/204261860.db2.gz TXJMKRLJJPPEPC-JOCHJYFZSA-N 0 0 390.483 4.520 50 0 GJAARN COc1ccc(N(Cc2cccs2)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000008133547 204263062 /nfs/dbraw/zinc/26/30/62/204263062.db2.gz RDHNCFKTAUCKAG-HXUWFJFHSA-N 0 0 393.464 4.592 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3F)o2)N1C[C@H]1CCCO1 ZINC000008160236 204264085 /nfs/dbraw/zinc/26/40/85/204264085.db2.gz VTCCJGMCBGDOTG-IVZQSRNASA-N 0 0 392.430 4.831 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)Cc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000008156680 204264414 /nfs/dbraw/zinc/26/44/14/204264414.db2.gz BIGBEURFKCNGIY-JOCHJYFZSA-N 0 0 389.886 4.675 50 0 GJAARN Clc1ccc(-c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)cc1 ZINC000008186563 204265167 /nfs/dbraw/zinc/26/51/67/204265167.db2.gz PGQPRHDJSVAAMH-GOSISDBHSA-N 0 0 385.920 4.918 50 0 GJAARN COc1ccc(-c2csc3nc(C)nc(Sc4ncccn4)c23)cc1OC ZINC000008230263 204266519 /nfs/dbraw/zinc/26/65/19/204266519.db2.gz 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204274747 /nfs/dbraw/zinc/27/47/47/204274747.db2.gz WLDUVMNGFLVDII-UHFFFAOYSA-N 0 0 385.489 4.992 50 0 GJAARN CC(=O)c1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000008388766 204274985 /nfs/dbraw/zinc/27/49/85/204274985.db2.gz IESKSZZRHZJYHP-NTKDMRAZSA-N 0 0 387.479 4.871 50 0 GJAARN Cc1sc2[nH]c(CSc3ccc(Br)cc3)nc(=O)c2c1C ZINC000008459121 204276671 /nfs/dbraw/zinc/27/66/71/204276671.db2.gz PRYXOVZXHOCJGU-UHFFFAOYSA-N 0 0 381.320 4.656 50 0 GJAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000008500046 204277959 /nfs/dbraw/zinc/27/79/59/204277959.db2.gz XJKZKQLLATVKNG-FQEVSTJZSA-N 0 0 398.478 4.638 50 0 GJAARN Cc1cc(-c2csc(NC(=O)c3cnc(Cl)c(Cl)c3)n2)c(C)n1C ZINC000008491154 204278255 /nfs/dbraw/zinc/27/82/55/204278255.db2.gz YPDBWMOITCFSGY-UHFFFAOYSA-N 0 0 381.288 4.720 50 0 GJAARN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(C)cc1 ZINC000008550149 204279495 /nfs/dbraw/zinc/27/94/95/204279495.db2.gz OWTHONMPABYOMS-UHFFFAOYSA-N 0 0 391.467 4.571 50 0 GJAARN Cc1nn2c(ncc3c2C[C@@H](c2cccs2)CC3=O)c1-c1ccc(F)cc1 ZINC000009225394 204303247 /nfs/dbraw/zinc/30/32/47/204303247.db2.gz QXEPKZVVORBLIF-CQSZACIVSA-N 0 0 377.444 4.818 50 0 GJAARN Cc1ccsc1CN(C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000009217869 204303734 /nfs/dbraw/zinc/30/37/34/204303734.db2.gz PTFYKZIZDHDRSR-UHFFFAOYSA-N 0 0 386.517 4.559 50 0 GJAARN C[C@@H](c1cccs1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000009390295 204310194 /nfs/dbraw/zinc/31/01/94/204310194.db2.gz IAEYDAUTUOTFFN-NSHDSACASA-N 0 0 392.937 4.698 50 0 GJAARN C[C@H](SCc1ccc2c(c1)OCO2)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000009449167 204311092 /nfs/dbraw/zinc/31/10/92/204311092.db2.gz LBLFFIZSJINICM-KRWDZBQOSA-N 0 0 397.540 4.518 50 0 GJAARN CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cccc(Cl)c1 ZINC000009431110 204311667 /nfs/dbraw/zinc/31/16/67/204311667.db2.gz UGMDXJYUYSWJRR-UHFFFAOYSA-N 0 0 398.890 4.633 50 0 GJAARN Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc32)cc1 ZINC000009528996 204313860 /nfs/dbraw/zinc/31/38/60/204313860.db2.gz UNPLKSSWMPHIJX-UHFFFAOYSA-N 0 0 397.478 4.766 50 0 GJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000009512285 204313873 /nfs/dbraw/zinc/31/38/73/204313873.db2.gz QGPUHEJSTZNJTB-UHFFFAOYSA-N 0 0 389.503 4.742 50 0 GJAARN O=C(NCc1ccc(F)cc1)c1cc(OCc2ccccc2)nc2ccccc21 ZINC000009587743 204316617 /nfs/dbraw/zinc/31/66/17/204316617.db2.gz ZMUAEJLIBBDLBC-UHFFFAOYSA-N 0 0 386.426 4.883 50 0 GJAARN CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000009579580 204316676 /nfs/dbraw/zinc/31/66/76/204316676.db2.gz IZIJTBCHZASRHM-JOCHJYFZSA-N 0 0 396.450 4.830 50 0 GJAARN Cc1nc(-c2ccccc2)nc2sc3c(ncn(CCc4ccccc4)c3=O)c21 ZINC000009575894 204317238 /nfs/dbraw/zinc/31/72/38/204317238.db2.gz CBNOGOVMWYLUBM-UHFFFAOYSA-N 0 0 398.491 4.619 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3noc4c3CCc3sccc3-4)sc2c1 ZINC000009642613 204318289 /nfs/dbraw/zinc/31/82/89/204318289.db2.gz PASSINRAOBVADD-UHFFFAOYSA-N 0 0 397.481 4.762 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000009668729 204318898 /nfs/dbraw/zinc/31/88/98/204318898.db2.gz WKTYYVVLHGSISA-UHFFFAOYSA-N 0 0 378.394 4.632 50 0 GJAARN COc1cc2c(cc1NC(=O)c1ccc([S@@](C)=O)cc1)oc1ccccc12 ZINC000009677311 204319466 /nfs/dbraw/zinc/31/94/66/204319466.db2.gz XTPBIHKKKSMBIZ-MHZLTWQESA-N 0 0 379.437 4.584 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2F)cc1 ZINC000036392154 204321563 /nfs/dbraw/zinc/32/15/63/204321563.db2.gz QMOVLIPSVOGFAZ-SFHVURJKSA-N 0 0 392.268 4.964 50 0 GJAARN O=C(CCc1ccc(-c2ccccc2)o1)NCc1coc(-c2cccs2)n1 ZINC000010873949 204339845 /nfs/dbraw/zinc/33/98/45/204339845.db2.gz YODHYFQKOYGJNQ-UHFFFAOYSA-N 0 0 378.453 4.912 50 0 GJAARN C[C@H](SCc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000009911009 204327429 /nfs/dbraw/zinc/32/74/29/204327429.db2.gz UVTCMFXNXYFUEJ-JTQLQIEISA-N 0 0 386.261 4.988 50 0 GJAARN CSc1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000009951135 204327755 /nfs/dbraw/zinc/32/77/55/204327755.db2.gz COGOTYUICNHXRE-QGZVFWFLSA-N 0 0 378.925 4.612 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccncc2)cc1C ZINC000009919375 204327830 /nfs/dbraw/zinc/32/78/30/204327830.db2.gz HUYXSLFVYYRCJZ-UHFFFAOYSA-N 0 0 396.494 4.823 50 0 GJAARN Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl ZINC000010213738 204331456 /nfs/dbraw/zinc/33/14/56/204331456.db2.gz HAUMITFPYBBHEW-UHFFFAOYSA-N 0 0 380.883 4.921 50 0 GJAARN Cc1csc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)n1 ZINC000010555953 204337098 /nfs/dbraw/zinc/33/70/98/204337098.db2.gz CPUKABYSQCLIEZ-UHFFFAOYSA-N 0 0 383.502 4.758 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1OCC(C)C ZINC000010926701 204340212 /nfs/dbraw/zinc/34/02/12/204340212.db2.gz HHCGYKCLTMPQFV-UHFFFAOYSA-N 0 0 396.487 4.721 50 0 GJAARN Cc1nnc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)s1 ZINC000011374090 204345591 /nfs/dbraw/zinc/34/55/91/204345591.db2.gz ZKPOUMQXQKKAPJ-UHFFFAOYSA-N 0 0 380.448 4.705 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000334162426 209177898 /nfs/dbraw/zinc/17/78/98/209177898.db2.gz 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ZINC000036353029 205013584 /nfs/dbraw/zinc/01/35/84/205013584.db2.gz LVONHAQQHXFGDR-KRWDZBQOSA-N 0 0 377.444 4.792 50 0 GJAARN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N(C)C3CCCCC3)c12 ZINC000036615876 205018893 /nfs/dbraw/zinc/01/88/93/205018893.db2.gz NCJAINSPGPKPBV-UHFFFAOYSA-N 0 0 376.504 4.657 50 0 GJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](C)c3ccc(C)cc3C)c12 ZINC000036616020 205019113 /nfs/dbraw/zinc/01/91/13/205019113.db2.gz FHWXFMYFQBFCSA-OAHLLOKOSA-N 0 0 388.471 4.645 50 0 GJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]1c1ccncc1 ZINC000036661939 205020370 /nfs/dbraw/zinc/02/03/70/205020370.db2.gz MHPFIGMYMAXUFN-GOSISDBHSA-N 0 0 381.863 4.686 50 0 GJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1c(F)cccc1F ZINC000037210471 205024288 /nfs/dbraw/zinc/02/42/88/205024288.db2.gz BQSFDQVODOCHNO-LJQANCHMSA-N 0 0 390.480 4.674 50 0 GJAARN CC(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037207260 205025168 /nfs/dbraw/zinc/02/51/68/205025168.db2.gz VEANVSWOOARBPK-OAQYLSRUSA-N 0 0 396.537 4.598 50 0 GJAARN O=C(CCn1ccc2c1cccc2Br)Nc1ccc2cc[nH]c2c1 ZINC000040312663 205025677 /nfs/dbraw/zinc/02/56/77/205025677.db2.gz ZMDRQIYBPAZWIQ-UHFFFAOYSA-N 0 0 382.261 4.914 50 0 biogenic GJAARN CC(C)CNC(=O)Cn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037397402 205025777 /nfs/dbraw/zinc/02/57/77/205025777.db2.gz IXZMVANUDYTONC-UHFFFAOYSA-N 0 0 390.314 4.706 50 0 GJAARN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1Cc1c(F)cccc1F ZINC000037521737 205027003 /nfs/dbraw/zinc/02/70/03/205027003.db2.gz ZWCDWVMGWWUGOE-QGZVFWFLSA-N 0 0 392.449 4.869 50 0 GJAARN CCN(C)C(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F ZINC000037546706 205028886 /nfs/dbraw/zinc/02/88/86/205028886.db2.gz LQGLYIZDZYPIMT-UHFFFAOYSA-N 0 0 399.441 4.569 50 0 GJAARN COc1ccc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3sccc32)cc1 ZINC000037526196 205028917 /nfs/dbraw/zinc/02/89/17/205028917.db2.gz SMEAEFVHAUBLRH-UHFFFAOYSA-N 0 0 394.471 4.829 50 0 GJAARN CCOc1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 ZINC000071890658 205029743 /nfs/dbraw/zinc/02/97/43/205029743.db2.gz DWHIHDBAEUKSCB-UHFFFAOYSA-N 0 0 376.416 4.996 50 0 GJAARN Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1 ZINC000077100985 205032121 /nfs/dbraw/zinc/03/21/21/205032121.db2.gz DJLYZTQBINRDCV-UHFFFAOYSA-N 0 0 387.302 4.811 50 0 GJAARN O=C(c1ccco1)N(C[C@@H]1CCCO1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077099408 205032607 /nfs/dbraw/zinc/03/26/07/205032607.db2.gz QOFAUXYHCDLMKW-NSHDSACASA-N 0 0 396.390 4.734 50 0 GJAARN COc1ccc(Br)c(C(=O)N2CCC(c3cccs3)CC2)c1 ZINC000077099777 205032667 /nfs/dbraw/zinc/03/26/67/205032667.db2.gz HODQGPNSXUGAQQ-UHFFFAOYSA-N 0 0 380.307 4.539 50 0 GJAARN CC[C@H](C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000077200319 205034692 /nfs/dbraw/zinc/03/46/92/205034692.db2.gz RYEIPTWOUQBGAZ-HKBOAZHASA-N 0 0 398.478 4.995 50 0 GJAARN Cc1ccc(-n2cc(-c3nc(-c4ccncc4)no3)c3ccccc3c2=O)cc1C ZINC000038486893 205037287 /nfs/dbraw/zinc/03/72/87/205037287.db2.gz BPSOKRCIWRJKAF-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(F)c(F)cc1Cl ZINC000040039842 205047250 /nfs/dbraw/zinc/04/72/50/205047250.db2.gz HXIWWXUYWJJCIT-UHFFFAOYSA-N 0 0 385.748 4.635 50 0 GJAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000040110676 205053036 /nfs/dbraw/zinc/05/30/36/205053036.db2.gz FAEWYKDQKXIJMH-UHFFFAOYSA-N 0 0 385.423 4.767 50 0 GJAARN O=C(Nc1ccc(NC(=O)N2CCCCCC2)c(C(F)(F)F)c1)c1ccoc1 ZINC000040120559 205054944 /nfs/dbraw/zinc/05/49/44/205054944.db2.gz WMDNFLAPCPHTHL-UHFFFAOYSA-N 0 0 395.381 4.959 50 0 GJAARN C[C@@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000040149958 205057884 /nfs/dbraw/zinc/05/78/84/205057884.db2.gz RJHHDEHWAANMFN-MRXNPFEDSA-N 0 0 380.467 4.551 50 0 GJAARN CCc1sc(C(=O)N(Cc2ccc3c(c2)OCCO3)CC(F)(F)F)cc1C ZINC000040155017 205059411 /nfs/dbraw/zinc/05/94/11/205059411.db2.gz GOSDOOUSXAMOOV-UHFFFAOYSA-N 0 0 399.434 4.595 50 0 GJAARN COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4ccccc4F)c3n2)c1 ZINC000040484741 205067808 /nfs/dbraw/zinc/06/78/08/205067808.db2.gz CPDIJZHMXKRWHT-UHFFFAOYSA-N 0 0 399.425 4.512 50 0 GJAARN Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000043037424 205081751 /nfs/dbraw/zinc/08/17/51/205081751.db2.gz BWJSFLQCQPPZPH-QZTJIDSGSA-N 0 0 378.472 4.618 50 0 GJAARN CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000044901053 205089929 /nfs/dbraw/zinc/08/99/29/205089929.db2.gz AMEHHSRXZRDVLH-OAQYLSRUSA-N 0 0 382.548 4.644 50 0 GJAARN O=C(NCc1coc(-c2cccs2)n1)c1cccnc1Nc1cccc(F)c1 ZINC000045031166 205092282 /nfs/dbraw/zinc/09/22/82/205092282.db2.gz NCXREJALKKEMAD-UHFFFAOYSA-N 0 0 394.431 4.611 50 0 GJAARN COc1ccccc1[C@H]1C(c2ccccc2)C(=O)C(=O)N1Cc1ccc(F)cc1 ZINC000045928116 205098614 /nfs/dbraw/zinc/09/86/14/205098614.db2.gz UFFCWDFJANRNLW-QFIPXVFZSA-N 0 0 389.426 4.887 50 0 GJAARN COC(=O)c1c(Nc2ccc(OC)c(OC)c2)onc1-c1cccc(Cl)c1 ZINC000046914558 205107637 /nfs/dbraw/zinc/10/76/37/205107637.db2.gz YXAHPMXXUUVGLY-UHFFFAOYSA-N 0 0 388.807 4.542 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(C)cc1O ZINC000048279747 205116268 /nfs/dbraw/zinc/11/62/68/205116268.db2.gz GLXUCUMSAQOOTG-UHFFFAOYSA-N 0 0 390.270 4.813 50 0 GJAARN C[C@@H](NC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000046012018 205101562 /nfs/dbraw/zinc/10/15/62/205101562.db2.gz GKHIQCNFGWZAHA-QGZVFWFLSA-N 0 0 399.450 4.660 50 0 GJAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](C(=O)c1ccc(C)cc1)CC(=O)N2 ZINC000046056412 205102483 /nfs/dbraw/zinc/10/24/83/205102483.db2.gz WHSLHYDPYXYTSP-QGZVFWFLSA-N 0 0 393.874 4.760 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057745 205102610 /nfs/dbraw/zinc/10/26/10/205102610.db2.gz RMIKYJAGLJCJTL-GOSISDBHSA-N 0 0 393.874 4.760 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057869 205103008 /nfs/dbraw/zinc/10/30/08/205103008.db2.gz ACFPGFWWFVXADO-SFHVURJKSA-N 0 0 393.874 4.760 50 0 GJAARN Cc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)c(C)s1 ZINC000046056377 205103307 /nfs/dbraw/zinc/10/33/07/205103307.db2.gz PKKBIUCFNNYCPK-GOSISDBHSA-N 0 0 393.512 4.785 50 0 GJAARN Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000055120489 205143094 /nfs/dbraw/zinc/14/30/94/205143094.db2.gz KYZMDMDXVZMVFU-HXUWFJFHSA-N 0 0 398.462 4.864 50 0 GJAARN Cc1ccc(C(=O)Nc2cc(NC(=O)c3cnoc3C3CC3)ccc2C)cc1 ZINC000055361033 205146807 /nfs/dbraw/zinc/14/68/07/205146807.db2.gz LGUVBRSUHBHOGE-UHFFFAOYSA-N 0 0 375.428 4.673 50 0 GJAARN CNC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1Cl ZINC000055904831 205150392 /nfs/dbraw/zinc/15/03/92/205150392.db2.gz OUFSMQGMBJLWNQ-UHFFFAOYSA-N 0 0 392.842 4.576 50 0 GJAARN CNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1Cl ZINC000055905167 205150778 /nfs/dbraw/zinc/15/07/78/205150778.db2.gz VCJBMUMGWHGJRU-UHFFFAOYSA-N 0 0 388.851 4.820 50 0 GJAARN COc1cc(CNC(=O)N2CCC[C@H]2c2cccc3ccccc32)ccc1O ZINC000056607719 205152604 /nfs/dbraw/zinc/15/26/04/205152604.db2.gz ZRPWEGDAZZUZKA-FQEVSTJZSA-N 0 0 376.456 4.601 50 0 GJAARN O=C(c1cccnc1SC1CCCC1)N1CCC(Nc2ccccc2)CC1 ZINC000050173684 205130262 /nfs/dbraw/zinc/13/02/62/205130262.db2.gz AFUZROCEBPMUCZ-UHFFFAOYSA-N 0 0 381.545 4.833 50 0 GJAARN CCOC(=O)c1c(C)nc2n(CCOc3ccccc3Cl)c3ccccc3n21 ZINC000051325942 205131063 /nfs/dbraw/zinc/13/10/63/205131063.db2.gz PFVRBZXPAKKPAI-UHFFFAOYSA-N 0 0 397.862 4.507 50 0 GJAARN Cc1cccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C(C)(C)C)c3)nc12 ZINC000063845955 205186654 /nfs/dbraw/zinc/18/66/54/205186654.db2.gz NZLHCTTZDIFESW-INIZCTEOSA-N 0 0 376.504 4.786 50 0 GJAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCC(C)(C)C1 ZINC000063868892 205187608 /nfs/dbraw/zinc/18/76/08/205187608.db2.gz VXJYXITWIFDGKA-UHFFFAOYSA-N 0 0 376.504 4.860 50 0 GJAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCC[C@H](C)C1 ZINC000063883766 205188683 /nfs/dbraw/zinc/18/86/83/205188683.db2.gz OOSOWFGDGLOFFZ-KRWDZBQOSA-N 0 0 376.504 4.860 50 0 GJAARN Cc1cc(=O)oc2cc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)ccc12 ZINC000057938060 205160819 /nfs/dbraw/zinc/16/08/19/205160819.db2.gz ANTUIJPGOJGYRE-UHFFFAOYSA-N 0 0 382.847 4.951 50 0 GJAARN Cc1noc(C)c1CCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000058156996 205164036 /nfs/dbraw/zinc/16/40/36/205164036.db2.gz QIKTVHHGRZTWKA-QGZVFWFLSA-N 0 0 381.501 4.541 50 0 GJAARN O=C(Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)N1CCCCCC1 ZINC000058165900 205165660 /nfs/dbraw/zinc/16/56/60/205165660.db2.gz MJHZJYYLFZAYSI-DTQAZKPQSA-N 0 0 399.516 4.507 50 0 GJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=S)Nc1ccccc1)CC(=O)N2 ZINC000058196782 205169075 /nfs/dbraw/zinc/16/90/75/205169075.db2.gz KRTVGMGCDYZKKR-JOCHJYFZSA-N 0 0 387.508 4.736 50 0 GJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c(OC)c1 ZINC000058369841 205173684 /nfs/dbraw/zinc/17/36/84/205173684.db2.gz ULBIFSGFEUXOAP-UHFFFAOYSA-N 0 0 391.471 4.546 50 0 GJAARN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000059118461 205178150 /nfs/dbraw/zinc/17/81/50/205178150.db2.gz HUEHGHMTYOYUKG-CYBMUJFWSA-N 0 0 378.394 4.620 50 0 GJAARN CCOc1ccc([C@H](NC(=O)CCc2c(C)noc2Cl)c2ccccc2)cc1 ZINC000060100762 205179947 /nfs/dbraw/zinc/17/99/47/205179947.db2.gz SNUIXLIYEPLCGD-OAQYLSRUSA-N 0 0 398.890 4.874 50 0 GJAARN CC(C)c1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 ZINC000061717615 205181709 /nfs/dbraw/zinc/18/17/09/205181709.db2.gz AMQNUUUFQBZWQV-UHFFFAOYSA-N 0 0 395.513 4.828 50 0 GJAARN CC(=O)Nc1ccccc1OCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000063414891 205185524 /nfs/dbraw/zinc/18/55/24/205185524.db2.gz AYHNICVPDPGJIN-UHFFFAOYSA-N 0 0 378.215 4.581 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2cccc(-c3noc(C4CCC4)n3)c2)cc1 ZINC000064844904 205198642 /nfs/dbraw/zinc/19/86/42/205198642.db2.gz CAHWAZYIEHPYCQ-JLHYYAGUSA-N 0 0 375.428 4.665 50 0 GJAARN Cc1nc2cc(-c3noc(-c4ccccc4F)n3)ccc2n(C2CCCC2)c1=O ZINC000064890531 205199471 /nfs/dbraw/zinc/19/94/71/205199471.db2.gz PSZUGTGLESURMQ-UHFFFAOYSA-N 0 0 390.418 4.676 50 0 GJAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(Cl)cc4)cc32)cc1 ZINC000064955907 205202195 /nfs/dbraw/zinc/20/21/95/205202195.db2.gz JZKGCPXIHFOEOR-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000064983917 205204456 /nfs/dbraw/zinc/20/44/56/205204456.db2.gz AYOJVJAHHPBQCA-LJQANCHMSA-N 0 0 379.909 4.655 50 0 GJAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000064990534 205205985 /nfs/dbraw/zinc/20/59/85/205205985.db2.gz NDNRLBJQLVMJER-GOSISDBHSA-N 0 0 399.494 4.908 50 0 GJAARN Cc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990538 205206165 /nfs/dbraw/zinc/20/61/65/205206165.db2.gz XKHHYMCQDQQRNN-SFHVURJKSA-N 0 0 399.494 4.908 50 0 GJAARN CCc1cccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000065031474 205207325 /nfs/dbraw/zinc/20/73/25/205207325.db2.gz NPFDMCUYJBNDBP-UHFFFAOYSA-N 0 0 383.451 4.877 50 0 GJAARN Cc1cccc(C)c1NC(=O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000065031434 205207952 /nfs/dbraw/zinc/20/79/52/205207952.db2.gz MZTCKHNFHPEJGP-UHFFFAOYSA-N 0 0 383.451 4.931 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2cc(Cl)ccc2F)n1 ZINC000065114384 205210643 /nfs/dbraw/zinc/21/06/43/205210643.db2.gz ROXVDKVYJREZJR-UHFFFAOYSA-N 0 0 384.842 4.710 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1nccnc1Oc1ccccc1C ZINC000065111179 205211083 /nfs/dbraw/zinc/21/10/83/205211083.db2.gz BEBCOKBCNRZVOV-UHFFFAOYSA-N 0 0 395.484 4.707 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1 ZINC000065135399 205211633 /nfs/dbraw/zinc/21/16/33/205211633.db2.gz BKVSIMZIAMAGMH-FQEVSTJZSA-N 0 0 389.474 4.540 50 0 GJAARN O=C(c1cc(F)ccc1Cl)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135268 205211769 /nfs/dbraw/zinc/21/17/69/205211769.db2.gz GVXCLXPYEBWTTD-MRXNPFEDSA-N 0 0 395.865 4.956 50 0 GJAARN CCc1nc2cc(-c3noc(/C=C/c4ccc(OC)c(OC)c4)n3)ccc2o1 ZINC000065149722 205212606 /nfs/dbraw/zinc/21/26/06/205212606.db2.gz QLWCAKJFVCEJKF-UXBLZVDNSA-N 0 0 377.400 4.628 50 0 GJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1cccc(Cl)c1C)CC2 ZINC000065149047 205212823 /nfs/dbraw/zinc/21/28/23/205212823.db2.gz ATJZLGDUMYMKST-UHFFFAOYSA-N 0 0 397.906 4.840 50 0 GJAARN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)n2)cc1 ZINC000065148090 205212977 /nfs/dbraw/zinc/21/29/77/205212977.db2.gz DVUFIFAGICXZIW-QGZVFWFLSA-N 0 0 390.462 4.688 50 0 GJAARN Cn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1Br)CC2 ZINC000065148840 205213036 /nfs/dbraw/zinc/21/30/36/205213036.db2.gz PNTXQHPLERTGDA-UHFFFAOYSA-N 0 0 384.277 4.531 50 0 GJAARN CCCCc1ccc(NC(=O)CSc2nccc(N3CCCCCC3)n2)cc1 ZINC000065151225 205213676 /nfs/dbraw/zinc/21/36/76/205213676.db2.gz KMOYPUJYJHADQN-UHFFFAOYSA-N 0 0 398.576 4.930 50 0 GJAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c(F)c1 ZINC000065153703 205215084 /nfs/dbraw/zinc/21/50/84/205215084.db2.gz HBANWVBWUDBDKC-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN COc1cc(OC)c(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)cc1Cl ZINC000064472998 205190290 /nfs/dbraw/zinc/19/02/90/205190290.db2.gz VJNWUPCECOPMKQ-UHFFFAOYSA-N 0 0 397.862 4.683 50 0 GJAARN CCCCN(C)C(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605854 205191760 /nfs/dbraw/zinc/19/17/60/205191760.db2.gz NQGQBTANDJKBGF-UHFFFAOYSA-N 0 0 378.451 4.898 50 0 GJAARN O=C(CC1CCCC1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064659550 205191987 /nfs/dbraw/zinc/19/19/87/205191987.db2.gz QZAIAFNIEMJTIV-UHFFFAOYSA-N 0 0 383.923 4.954 50 0 biogenic GJAARN Nc1c(-c2nc(-c3cccc(Cl)c3)cs2)nnn1-c1cc(F)ccc1F ZINC000064664483 205193102 /nfs/dbraw/zinc/19/31/02/205193102.db2.gz RMEGNSFQHNCIRI-UHFFFAOYSA-N 0 0 389.818 4.572 50 0 GJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000064747582 205194343 /nfs/dbraw/zinc/19/43/43/205194343.db2.gz NGAGYWXMYVTGPQ-GOSISDBHSA-N 0 0 392.459 4.731 50 0 GJAARN CC(C)c1csc(-c2ccc(S(=O)(=O)NCC3CCCCC3)s2)n1 ZINC000064769489 205195313 /nfs/dbraw/zinc/19/53/13/205195313.db2.gz AGVYSCCLHMDOEF-UHFFFAOYSA-N 0 0 384.592 4.854 50 0 GJAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(F)cc1 ZINC000064820107 205196269 /nfs/dbraw/zinc/19/62/69/205196269.db2.gz CGLYHQUCLINVRV-UHFFFAOYSA-N 0 0 381.226 4.865 50 0 GJAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccc(C)cc1 ZINC000064820113 205197174 /nfs/dbraw/zinc/19/71/74/205197174.db2.gz NXYCNZFHNRUNJN-UHFFFAOYSA-N 0 0 391.290 4.712 50 0 GJAARN CCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2c1c1ccccc1oc2=O ZINC000064839005 205197226 /nfs/dbraw/zinc/19/72/26/205197226.db2.gz KPYGJYYWZRKNAS-UHFFFAOYSA-N 0 0 396.830 4.682 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccccc3)CC2)cc1C ZINC000064847608 205198134 /nfs/dbraw/zinc/19/81/34/205198134.db2.gz GDZBEKZXIYKYGR-SFHVURJKSA-N 0 0 379.504 4.822 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847615 205198424 /nfs/dbraw/zinc/19/84/24/205198424.db2.gz WUGKJACUKNDZLR-QGZVFWFLSA-N 0 0 395.503 4.522 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)c2cccnc21 ZINC000065240982 205222543 /nfs/dbraw/zinc/22/25/43/205222543.db2.gz SKERJJLGMDMAHF-UHFFFAOYSA-N 0 0 398.438 4.639 50 0 GJAARN CCc1noc(-c2cnc3nc(C)ccc3c2N[C@H](C)c2ccc(F)cc2)n1 ZINC000065250632 205223641 /nfs/dbraw/zinc/22/36/41/205223641.db2.gz UURFQSZETAGGKQ-CYBMUJFWSA-N 0 0 377.423 4.863 50 0 GJAARN CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000065322277 205230355 /nfs/dbraw/zinc/23/03/55/205230355.db2.gz INOWJIJDQHBUBU-UHFFFAOYSA-N 0 0 394.494 4.995 50 0 GJAARN CCNC(=O)c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000065322619 205230458 /nfs/dbraw/zinc/23/04/58/205230458.db2.gz UPXJPLYQGZERGJ-UHFFFAOYSA-N 0 0 391.862 4.543 50 0 GJAARN CSc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000065320574 205231259 /nfs/dbraw/zinc/23/12/59/205231259.db2.gz OQFUVOSZRGWPLE-KRWDZBQOSA-N 0 0 380.473 4.828 50 0 GJAARN C[C@H](c1cnn(C)c1)n1cnc(-c2ccccc2)c1-c1c[nH]c2cc(=O)ccc-2c1 ZINC000065375600 205232842 /nfs/dbraw/zinc/23/28/42/205232842.db2.gz JNTSWYRHEJWBDH-MRXNPFEDSA-N 0 0 395.466 4.814 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cc(C)nc2cc(F)ccc21 ZINC000065474923 205235239 /nfs/dbraw/zinc/23/52/39/205235239.db2.gz KLVCRUJHHBXMHK-UHFFFAOYSA-N 0 0 389.430 4.618 50 0 GJAARN Cc1ccc(-c2csc3ncnc(N[C@H](C(N)=O)c4ccccc4)c23)cc1C ZINC000065477331 205235882 /nfs/dbraw/zinc/23/58/82/205235882.db2.gz HFHKASDELCETPN-IBGZPJMESA-N 0 0 388.496 4.614 50 0 GJAARN C[C@@H](OC(=O)c1cc2c(c(Cl)c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000065511867 205236119 /nfs/dbraw/zinc/23/61/19/205236119.db2.gz BPHLYKJATWHTGM-SECBINFHSA-N 0 0 394.761 4.732 50 0 GJAARN Cc1ccc(-c2nc(N[C@@H](C)c3ccncn3)ncc2-c2ccc(O)cc2)cc1 ZINC000065493880 205236612 /nfs/dbraw/zinc/23/66/12/205236612.db2.gz VSCGOLDLNXTAON-INIZCTEOSA-N 0 0 383.455 4.788 50 0 GJAARN Cc1cc(-c2nnco2)ccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000065538240 205238390 /nfs/dbraw/zinc/23/83/90/205238390.db2.gz VCKXQUFZZSZOSK-VQHVLOKHSA-N 0 0 389.333 4.596 50 0 GJAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccccc4OC)no3)n2)cc1 ZINC000067246053 205243151 /nfs/dbraw/zinc/24/31/51/205243151.db2.gz DJMBWZPGTAENLO-UHFFFAOYSA-N 0 0 393.468 4.858 50 0 GJAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)cc1C ZINC000067259347 205243469 /nfs/dbraw/zinc/24/34/69/205243469.db2.gz FHGQUKRPLWGCFH-UHFFFAOYSA-N 0 0 387.508 4.749 50 0 GJAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000067259325 205243852 /nfs/dbraw/zinc/24/38/52/205243852.db2.gz VQAMELRRQSFHJV-SFHVURJKSA-N 0 0 378.497 4.511 50 0 GJAARN Cc1ccc(-c2cc3c4nnc(SCCc5ccccc5)n4ccn3n2)cc1C ZINC000067260606 205244141 /nfs/dbraw/zinc/24/41/41/205244141.db2.gz SYSDQVFRYMBJOP-UHFFFAOYSA-N 0 0 399.523 4.996 50 0 GJAARN Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297844 205245025 /nfs/dbraw/zinc/24/50/25/205245025.db2.gz VFUINSOVWSIBPV-LCUIJRPUSA-N 0 0 399.450 4.943 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)NCc3ccccc3F)s2)c2cccnc21 ZINC000065240899 205221323 /nfs/dbraw/zinc/22/13/23/205221323.db2.gz HHIFONKPFRDPHC-UHFFFAOYSA-N 0 0 394.475 4.557 50 0 GJAARN CCn1cc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c(C)n1 ZINC000067678443 205253529 /nfs/dbraw/zinc/25/35/29/205253529.db2.gz LHMYQQBRCUYJJR-UHFFFAOYSA-N 0 0 397.906 4.632 50 0 GJAARN CCCc1nc(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)cs1 ZINC000067908043 205266668 /nfs/dbraw/zinc/26/66/68/205266668.db2.gz YGUPXQFGDYCZJH-INIZCTEOSA-N 0 0 380.517 4.506 50 0 GJAARN COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)c(OC)c1)CC2 ZINC000069374289 205273248 /nfs/dbraw/zinc/27/32/48/205273248.db2.gz BUTOOPPHPSRCOQ-QINSGFPZSA-N 0 0 375.424 4.525 50 0 GJAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)n1 ZINC000067296764 205246095 /nfs/dbraw/zinc/24/60/95/205246095.db2.gz MYIYRUCHCQRMEH-ROMGYVFFSA-N 0 0 391.377 4.899 50 0 GJAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1Br ZINC000067350763 205246310 /nfs/dbraw/zinc/24/63/10/205246310.db2.gz OXHBRYSIMIGKIE-UHFFFAOYSA-N 0 0 377.625 4.580 50 0 GJAARN Cc1nc(-c2ccncc2)sc1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000071287297 205281434 /nfs/dbraw/zinc/28/14/34/205281434.db2.gz YJNMBFJOLYDMHR-UHFFFAOYSA-N 0 0 385.518 4.665 50 0 GJAARN CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(OC)cc2)s1 ZINC000071326536 205282286 /nfs/dbraw/zinc/28/22/86/205282286.db2.gz VAHUOSZTUFZLQS-UHFFFAOYSA-N 0 0 381.501 4.696 50 0 GJAARN CC(=O)Nc1ccc(-c2nc3ccccc3nc2-c2ccc(NC(C)=O)cc2)cc1 ZINC000071767104 205296235 /nfs/dbraw/zinc/29/62/35/205296235.db2.gz DLPQGJXOLODBAG-UHFFFAOYSA-N 0 0 396.450 4.881 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 ZINC000090608121 205275206 /nfs/dbraw/zinc/27/52/06/205275206.db2.gz YIAZXWNYIVWCBL-UHFFFAOYSA-N 0 0 380.966 4.678 50 0 GJAARN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n1 ZINC000069417989 205276647 /nfs/dbraw/zinc/27/66/47/205276647.db2.gz ZFOKKBLFERDAES-ZBFHGGJFSA-N 0 0 378.925 4.934 50 0 GJAARN O=C(Nc1ccnn1C[C@H]1CCOC1)c1sc2cc(Cl)ccc2c1Cl ZINC000069922202 205276829 /nfs/dbraw/zinc/27/68/29/205276829.db2.gz WXPKVQKQDBPEPN-SNVBAGLBSA-N 0 0 396.299 4.693 50 0 GJAARN CC(C)c1nnc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)s1 ZINC000069949191 205278884 /nfs/dbraw/zinc/27/88/84/205278884.db2.gz LHWDBJLYBHDTGO-CHWSQXEVSA-N 0 0 384.530 4.960 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)[nH]n2)cc1 ZINC000072331573 205325704 /nfs/dbraw/zinc/32/57/04/205325704.db2.gz VQSJNGUCRNOONM-HNNXBMFYSA-N 0 0 381.451 4.886 50 0 GJAARN COCc1nn2c(nccc2-c2ccc(OC)cc2)c1-c1cccc(Cl)c1 ZINC000072115521 205305879 /nfs/dbraw/zinc/30/58/79/205305879.db2.gz NRDDRQHVSAZEMM-UHFFFAOYSA-N 0 0 379.847 4.872 50 0 GJAARN COc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c2cccnc12 ZINC000072436514 205350081 /nfs/dbraw/zinc/35/00/81/205350081.db2.gz HNTKCHVLPYBBNG-UHFFFAOYSA-N 0 0 381.439 4.794 50 0 GJAARN COc1ccc(NC(=O)NC2(c3nc(C4CC4)no3)CCCCC2)cc1Cl ZINC000077197395 205357278 /nfs/dbraw/zinc/35/72/78/205357278.db2.gz JDTZTMGFLPEAOC-UHFFFAOYSA-N 0 0 390.871 4.590 50 0 GJAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)c2)n1 ZINC000077339651 205359257 /nfs/dbraw/zinc/35/92/57/205359257.db2.gz OXXKQOMFIVUBOA-QFIPXVFZSA-N 0 0 377.463 4.665 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 ZINC000072401756 205344599 /nfs/dbraw/zinc/34/45/99/205344599.db2.gz WYBMOSMFQLJCJI-SFHVURJKSA-N 0 0 397.544 4.680 50 0 GJAARN O=C(Nc1cccnc1Oc1ccc2c(c1)NC(=O)CC2)c1cccc(F)c1 ZINC000072406358 205345568 /nfs/dbraw/zinc/34/55/68/205345568.db2.gz SUVWXBZJYQUEJA-UHFFFAOYSA-N 0 0 377.375 4.800 50 0 GJAARN Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000072404271 205345930 /nfs/dbraw/zinc/34/59/30/205345930.db2.gz KKOGUIBFWGXVFG-UHFFFAOYSA-N 0 0 395.875 4.511 50 0 GJAARN CN(CC1CCCCC1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000078265865 205374211 /nfs/dbraw/zinc/37/42/11/205374211.db2.gz ZAMCOOQLVRRAQV-UHFFFAOYSA-N 0 0 392.952 4.957 50 0 GJAARN Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(C[S@@](C)=O)c3)c2c1 ZINC000078974403 205377495 /nfs/dbraw/zinc/37/74/95/205377495.db2.gz RGRVAOLUBALUKP-MHZLTWQESA-N 0 0 378.497 4.551 50 0 GJAARN Cc1ccnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)c1 ZINC000079479040 205381718 /nfs/dbraw/zinc/38/17/18/205381718.db2.gz ANLRITUMXGODDN-NRFANRHFSA-N 0 0 391.515 4.537 50 0 GJAARN CC(C)n1cc(CCC(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000079490179 205383353 /nfs/dbraw/zinc/38/33/53/205383353.db2.gz AQLXOKOHEUAENM-HSZRJFAPSA-N 0 0 376.500 4.755 50 0 GJAARN Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000084027101 205391349 /nfs/dbraw/zinc/39/13/49/205391349.db2.gz GDBQETFMQOHJMC-UHFFFAOYSA-N 0 0 382.891 4.784 50 0 GJAARN Cc1cc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1Oc1cccnc1 ZINC000084093789 205392352 /nfs/dbraw/zinc/39/23/52/205392352.db2.gz RTUKAECVSQQWAB-CQSZACIVSA-N 0 0 379.382 4.989 50 0 GJAARN COC(=O)c1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000085412330 205399961 /nfs/dbraw/zinc/39/99/61/205399961.db2.gz GSNTXWRFGBKUIG-SFHVURJKSA-N 0 0 399.516 4.744 50 0 GJAARN Cc1nncn1-c1cccc(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000089740971 205407121 /nfs/dbraw/zinc/40/71/21/205407121.db2.gz CYWNFNMVEDDUCM-CYBMUJFWSA-N 0 0 388.393 4.727 50 0 GJAARN CC(C)c1cc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)n(C)n1 ZINC000091459352 205415498 /nfs/dbraw/zinc/41/54/98/205415498.db2.gz ASHXVGLDJDEGKL-UHFFFAOYSA-N 0 0 387.527 4.766 50 0 GJAARN COc1cccc(-c2nc(C(=O)Nc3ccc4nc(C)oc4c3)cs2)c1OC ZINC000095349233 205439251 /nfs/dbraw/zinc/43/92/51/205439251.db2.gz MQLPFXUEIGRCHQ-UHFFFAOYSA-N 0 0 395.440 4.529 50 0 GJAARN Cc1ccccc1C(=O)Nc1n[nH]c2ccc(NC(=O)c3ccccc3C)cc21 ZINC000095451805 205460874 /nfs/dbraw/zinc/46/08/74/205460874.db2.gz QYRCVUMKDYIQHT-UHFFFAOYSA-N 0 0 384.439 4.684 50 0 GJAARN CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3c(C)cccc3C)n2)cc1 ZINC000095962632 205508938 /nfs/dbraw/zinc/50/89/38/205508938.db2.gz CZQFSFPNOARFEV-HNNXBMFYSA-N 0 0 393.512 4.876 50 0 GJAARN O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCC(c2ccccc2)CC1 ZINC000095521388 205486895 /nfs/dbraw/zinc/48/68/95/205486895.db2.gz FUDKAXBHWMXHNF-HXUWFJFHSA-N 0 0 380.488 4.656 50 0 GJAARN CC(C)(C)NC(=O)Nc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000096132246 205528924 /nfs/dbraw/zinc/52/89/24/205528924.db2.gz XYDFGMMPDFDGRK-UHFFFAOYSA-N 0 0 379.504 4.900 50 0 GJAARN Cn1cc([C@H](CCc2ccccc2)CC(=O)NCc2ccncc2)c2ccccc21 ZINC000096275814 205553855 /nfs/dbraw/zinc/55/38/55/205553855.db2.gz TXDSJWMGUMTHET-JOCHJYFZSA-N 0 0 397.522 4.996 50 0 GJAARN Cc1ccc(F)c([C@H](CC(=O)NC[C@@]2(C)CCCO2)c2c[nH]c3ccccc32)c1 ZINC000096289126 205555883 /nfs/dbraw/zinc/55/58/83/205555883.db2.gz RMBOJSBNTKNQQX-MHECFPHRSA-N 0 0 394.490 4.823 50 0 GJAARN CCc1cccc(C)c1NC(=O)COC(=O)/C=C\c1cc2cccc(OC)c2o1 ZINC000096937119 205578944 /nfs/dbraw/zinc/57/89/44/205578944.db2.gz CUVZDBDJSCRUSH-QXMHVHEDSA-N 0 0 393.439 4.507 50 0 GJAARN O=C(NCCc1cccs1)c1ccc(OCc2nc(C3CC3)cs2)cc1 ZINC000056907827 211770159 /nfs/dbraw/zinc/77/01/59/211770159.db2.gz ZXQXLMZTAKLLKL-UHFFFAOYSA-N 0 0 384.526 4.634 50 0 GJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)oc2C)c1 ZINC000096397280 205566667 /nfs/dbraw/zinc/56/66/67/205566667.db2.gz DUHVIZDPCXSOKG-UHFFFAOYSA-N 0 0 386.455 4.764 50 0 GJAARN CC(C)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 ZINC000098211359 205602296 /nfs/dbraw/zinc/60/22/96/205602296.db2.gz OFPQAWMLFSMMPY-UHFFFAOYSA-N 0 0 386.455 4.967 50 0 GJAARN Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1ccc(Cl)cc1 ZINC000100104826 205603276 /nfs/dbraw/zinc/60/32/76/205603276.db2.gz NMIORYXAZBTMCR-VAWYXSNFSA-N 0 0 398.919 4.818 50 0 GJAARN CC[C@@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl ZINC000102850999 205636270 /nfs/dbraw/zinc/63/62/70/205636270.db2.gz SVZPNIUVTZBYBR-OAHLLOKOSA-N 0 0 383.879 4.873 50 0 GJAARN CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1 ZINC000003008152 205723773 /nfs/dbraw/zinc/72/37/73/205723773.db2.gz JCLBVOSRYNTGEJ-QGZVFWFLSA-N 0 0 381.476 4.891 50 0 GJAARN O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(C(F)(F)F)cc1 ZINC000003333689 205725571 /nfs/dbraw/zinc/72/55/71/205725571.db2.gz DJWBKQREZGHTCI-UHFFFAOYSA-N 0 0 376.205 4.914 50 0 GJAARN COc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)c(OC)c1 ZINC000004801384 205751919 /nfs/dbraw/zinc/75/19/19/205751919.db2.gz HADQARXHUBPUOX-UHFFFAOYSA-N 0 0 382.485 4.600 50 0 GJAARN Cc1cc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c2c3c(c(=O)oc2c1)CCC3 ZINC000004950825 205757152 /nfs/dbraw/zinc/75/71/52/205757152.db2.gz TYSJVFDRJWHSGP-UHFFFAOYSA-N 0 0 392.495 4.754 50 0 GJAARN Cc1ccc(CSc2nnc(NC(=O)COc3cccc(C)c3C)s2)cc1 ZINC000007166567 205782976 /nfs/dbraw/zinc/78/29/76/205782976.db2.gz 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CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc12 ZINC000026461350 206001509 /nfs/dbraw/zinc/00/15/09/206001509.db2.gz MZVFWYSIOKSPMF-UHFFFAOYSA-N 0 0 383.469 4.689 50 0 GJAARN CC(C)Oc1cccc([C@@H](Nc2cnn(-c3ncccc3F)c2)C(F)F)c1 ZINC000225411493 206046291 /nfs/dbraw/zinc/04/62/91/206046291.db2.gz YFWZAYJRLCSFSM-QGZVFWFLSA-N 0 0 376.382 4.612 50 0 GJAARN O=C(Nc1c[nH]nc1-c1nccs1)c1csc(-c2ccc(Cl)s2)n1 ZINC000225569043 206057224 /nfs/dbraw/zinc/05/72/24/206057224.db2.gz VSLJUWJIZKGGGX-UHFFFAOYSA-N 0 0 393.906 4.624 50 0 GJAARN O=C(NCc1ccccc1COCc1ccccc1)C1(C(=O)c2ccccc2)CC1 ZINC000225581283 206059283 /nfs/dbraw/zinc/05/92/83/206059283.db2.gz VKEVBCUWRZTTLT-UHFFFAOYSA-N 0 0 399.490 4.683 50 0 GJAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N(Cc1ccco1)C1CC1 ZINC000029270392 206059713 /nfs/dbraw/zinc/05/97/13/206059713.db2.gz REQJOBREHXMIHD-UHFFFAOYSA-N 0 0 393.462 4.678 50 0 GJAARN O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1ccc(Cl)o1 ZINC000225600239 206060851 /nfs/dbraw/zinc/06/08/51/206060851.db2.gz 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ZINC000090607227 211036586 /nfs/dbraw/zinc/03/65/86/211036586.db2.gz ULLQVJCDRKVTKI-UHFFFAOYSA-N 0 0 382.261 4.511 50 0 GJAARN O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)NCc1cccs1 ZINC000090607088 211035953 /nfs/dbraw/zinc/03/59/53/211035953.db2.gz SKEJLQAEFFWYDS-UHFFFAOYSA-N 0 0 386.546 4.788 50 0 GJAARN Cc1nc2sccc2c(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)n1 ZINC000067982051 211033367 /nfs/dbraw/zinc/03/33/67/211033367.db2.gz FKYYZPOGXKUZBR-UHFFFAOYSA-N 0 0 375.501 4.774 50 0 GJAARN Cc1[nH]cnc1-c1c(-c2ccccc2)ncn1[C@H](CO)Cc1ccc(Cl)cc1 ZINC000067895836 211028474 /nfs/dbraw/zinc/02/84/74/211028474.db2.gz MTTJIQWMCJNZDI-IBGZPJMESA-N 0 0 392.890 4.678 50 0 GJAARN Cn1ccc2c1cccc2C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067459458 211010299 /nfs/dbraw/zinc/01/02/99/211010299.db2.gz WFUDBCKOLWSXRQ-LJQANCHMSA-N 0 0 389.282 4.699 50 0 GJAARN O=C(c1ccc2cccnc2c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067446546 211009424 /nfs/dbraw/zinc/00/94/24/211009424.db2.gz DVEDESPLKZUHOM-IBGZPJMESA-N 0 0 387.266 4.755 50 0 GJAARN Cc1cccc(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1C ZINC000067673001 211015494 /nfs/dbraw/zinc/01/54/94/211015494.db2.gz LDMLSYFXMUSECY-UHFFFAOYSA-N 0 0 376.504 4.505 50 0 GJAARN CN(C)c1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000067259048 211004836 /nfs/dbraw/zinc/00/48/36/211004836.db2.gz KJWPCEZORISANV-UHFFFAOYSA-N 0 0 387.508 4.744 50 0 GJAARN Cc1c(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)sc2nc(C)nc(C)c12 ZINC000066760085 211004071 /nfs/dbraw/zinc/00/40/71/211004071.db2.gz WDBLCFHYXFJTCY-KRWDZBQOSA-N 0 0 395.528 4.609 50 0 GJAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3)oc21 ZINC000067190087 211003504 /nfs/dbraw/zinc/00/35/04/211003504.db2.gz PSJIPEQBYJOCDK-BZZOAKBMSA-N 0 0 385.423 4.630 50 0 GJAARN COc1ccc2oc(-c3ccc(CNC(=O)c4ccccc4F)cc3)nc2c1 ZINC000067207096 211003346 /nfs/dbraw/zinc/00/33/46/211003346.db2.gz CMATVUOYXNACMC-UHFFFAOYSA-N 0 0 376.387 4.573 50 0 GJAARN O=C(CCCSc1ccc(Cl)cc1)NCc1nc(-c2cccs2)no1 ZINC000065778651 211000239 /nfs/dbraw/zinc/00/02/39/211000239.db2.gz PJLUQXOEXXMJLT-UHFFFAOYSA-N 0 0 393.921 4.640 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4ccccc4F)C3)n2)c1 ZINC000065135370 210968050 /nfs/dbraw/zinc/96/80/50/210968050.db2.gz VIXJDSRAYXBADH-SFHVURJKSA-N 0 0 375.447 4.611 50 0 GJAARN O=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 ZINC000065219068 210976957 /nfs/dbraw/zinc/97/69/57/210976957.db2.gz OMCKNJHKWVXWDR-UHFFFAOYSA-N 0 0 383.379 4.996 50 0 GJAARN O=C(NCCC1=CCCCC1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955825 210954980 /nfs/dbraw/zinc/95/49/80/210954980.db2.gz LMJSDUDULBRBEI-UHFFFAOYSA-N 0 0 377.463 4.844 50 0 GJAARN COc1ccccc1NC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1 ZINC000065029675 210961862 /nfs/dbraw/zinc/96/18/62/210961862.db2.gz KONWTKZQPPIPNT-UHFFFAOYSA-N 0 0 380.423 4.627 50 0 GJAARN O=C(CCC1CCCC1)NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000064978219 210957873 /nfs/dbraw/zinc/95/78/73/210957873.db2.gz PSAWWCAIDXPPKR-UHFFFAOYSA-N 0 0 394.490 4.615 50 0 GJAARN CC(C)CCNC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578612 210941863 /nfs/dbraw/zinc/94/18/63/210941863.db2.gz PQNROEZJTLVWKF-UHFFFAOYSA-N 0 0 379.435 4.851 50 0 GJAARN Cc1ccc2nc(-c3cnc(C4CC4)nc3)cc(C(=O)N3CCC(C)(C)C3)c2c1 ZINC000063857081 210937071 /nfs/dbraw/zinc/93/70/71/210937071.db2.gz DVASIMGVVZEIHY-UHFFFAOYSA-N 0 0 386.499 4.750 50 0 GJAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000059321196 210924993 /nfs/dbraw/zinc/92/49/93/210924993.db2.gz YHXUPDYVULZQCE-KRWDZBQOSA-N 0 0 384.476 4.562 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc2c(c1)CCC2 ZINC000060692854 210928234 /nfs/dbraw/zinc/92/82/34/210928234.db2.gz AZKSOIYXOLBYRK-UHFFFAOYSA-N 0 0 384.838 4.861 50 0 GJAARN COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000057717718 210902366 /nfs/dbraw/zinc/90/23/66/210902366.db2.gz BSMCXNGHUPPCHE-KRWDZBQOSA-N 0 0 388.467 4.877 50 0 GJAARN O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000058136312 210907406 /nfs/dbraw/zinc/90/74/06/210907406.db2.gz XYGWFNRXXXKBBG-UHFFFAOYSA-N 0 0 395.422 4.775 50 0 GJAARN Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1cccnc1)CO2 ZINC000057120915 210894242 /nfs/dbraw/zinc/89/42/42/210894242.db2.gz XAVOLGUERZRGFN-UHFFFAOYSA-N 0 0 384.435 4.516 50 0 biogenic GJAARN O=C(c1cccnc1SC1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000054835755 210879120 /nfs/dbraw/zinc/87/91/20/210879120.db2.gz KVUWDUJNWHEWNZ-OAQYLSRUSA-N 0 0 396.556 4.702 50 0 GJAARN O=C(/C=C\c1ccccc1Br)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000050647627 210867207 /nfs/dbraw/zinc/86/72/07/210867207.db2.gz OIJWBHZBVGZQJW-YUIUBULTSA-N 0 0 396.288 4.702 50 0 GJAARN CCCn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2cc(F)ccc21 ZINC000049001952 210858153 /nfs/dbraw/zinc/85/81/53/210858153.db2.gz MXGPREIWFFXVQU-UHFFFAOYSA-N 0 0 383.810 4.921 50 0 GJAARN Cc1ccc(-c2ccsc2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 ZINC000048311414 210851543 /nfs/dbraw/zinc/85/15/43/210851543.db2.gz BVBSJCXPIVVUIS-UHFFFAOYSA-N 0 0 387.508 4.898 50 0 GJAARN COC(=O)c1c(Nc2ccc(OC)c(Cl)c2)onc1-c1ccc(F)cc1 ZINC000046914298 210838654 /nfs/dbraw/zinc/83/86/54/210838654.db2.gz ZDKNLLSDVNOWFR-UHFFFAOYSA-N 0 0 376.771 4.673 50 0 GJAARN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCCSc1ccccc1 ZINC000044142027 210810081 /nfs/dbraw/zinc/81/00/81/210810081.db2.gz UHAWGEJCUNYUOC-UHFFFAOYSA-N 0 0 397.544 4.535 50 0 GJAARN CSc1cccc(NC(=O)Cn2ccc3ccc(Br)cc32)c1 ZINC000040286667 210783698 /nfs/dbraw/zinc/78/36/98/210783698.db2.gz IBEFLBLQXITPKW-UHFFFAOYSA-N 0 0 375.291 4.764 50 0 GJAARN NC(=O)c1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1Cl ZINC000040060376 210769282 /nfs/dbraw/zinc/76/92/82/210769282.db2.gz LJSZLADKLONRQN-UHFFFAOYSA-N 0 0 378.859 4.600 50 0 GJAARN COc1ccc(-c2cc(Nc3cc(Cl)nc(N)n3)ccc2OC(F)F)cc1 ZINC000040067506 210768999 /nfs/dbraw/zinc/76/89/99/210768999.db2.gz OPEPYOOYSBGYPH-UHFFFAOYSA-N 0 0 392.793 4.733 50 0 GJAARN CCn1c(C(=O)NCc2cccc(F)c2)cc2sc(Br)cc21 ZINC000037587588 210745724 /nfs/dbraw/zinc/74/57/24/210745724.db2.gz RDTPKZZCJTWNIV-UHFFFAOYSA-N 0 0 381.270 4.554 50 0 GJAARN O=C(NC(c1ccccc1)c1ccccc1)N(CC(F)(F)F)C1CCOCC1 ZINC000077200633 210752225 /nfs/dbraw/zinc/75/22/25/210752225.db2.gz DEMYKJJPJGJVGF-UHFFFAOYSA-N 0 0 392.421 4.529 50 0 GJAARN C[C@@H]1C(=O)N(c2ccc(-c3ccccc3)cc2)CCN1Cc1ccc(F)cc1F ZINC000037521745 210740774 /nfs/dbraw/zinc/74/07/74/210740774.db2.gz GDLYKGAWJCKWKE-QGZVFWFLSA-N 0 0 392.449 4.869 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)c1OC ZINC000036366561 210724067 /nfs/dbraw/zinc/72/40/67/210724067.db2.gz YFELEBLMFKADKA-ZDUSSCGKSA-N 0 0 383.835 4.667 50 0 GJAARN O=c1c2c(ncn1CCc1ccccc1)c1cc(F)ccc1n2Cc1ccccc1 ZINC000035400377 210683709 /nfs/dbraw/zinc/68/37/09/210683709.db2.gz HVRNGAVSDARGDI-UHFFFAOYSA-N 0 0 397.453 4.781 50 0 GJAARN CCn1nc(C(=O)NCc2ccc(F)cc2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902044 210670149 /nfs/dbraw/zinc/67/01/49/210670149.db2.gz SCAMYGCITABSTO-UHFFFAOYSA-N 0 0 379.479 4.937 50 0 GJAARN Cc1ccc([C@H](C)NC(=O)CSc2nccnc2Sc2ccccc2)cc1 ZINC000033288906 210637567 /nfs/dbraw/zinc/63/75/67/210637567.db2.gz NUNCIFCKIIHTBR-INIZCTEOSA-N 0 0 395.553 4.906 50 0 GJAARN CCc1ccccc1NC(=O)CSc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000033172599 210629886 /nfs/dbraw/zinc/62/98/86/210629886.db2.gz IEFDKYCICAMBFK-UHFFFAOYSA-N 0 0 380.448 4.543 50 0 GJAARN Cc1cc2nc3sc(C(=O)Nc4ccc(Cl)cc4C)cc(=O)n3c2cc1C ZINC000033008935 210615011 /nfs/dbraw/zinc/61/50/11/210615011.db2.gz KASVLWALRUTAOS-UHFFFAOYSA-N 0 0 397.887 4.740 50 0 GJAARN Cc1oc2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4C)CC3)c2c1C ZINC000032959786 210608321 /nfs/dbraw/zinc/60/83/21/210608321.db2.gz TWYGSLIHEZMVLN-UHFFFAOYSA-N 0 0 398.894 4.657 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)c2c1C ZINC000032960239 210607576 /nfs/dbraw/zinc/60/75/76/210607576.db2.gz LMJHIBMOEPHHIT-GOSISDBHSA-N 0 0 392.503 4.620 50 0 GJAARN CCOc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1OCc1cccnc1 ZINC000031898380 210569300 /nfs/dbraw/zinc/56/93/00/210569300.db2.gz UDYMVLPJAWPSHF-UHFFFAOYSA-N 0 0 399.450 4.860 50 0 GJAARN O=C(c1ccc2c(c1)CCCC(=O)N2)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000030884297 210559159 /nfs/dbraw/zinc/55/91/59/210559159.db2.gz GFVKIUGSHFNKAV-GOSISDBHSA-N 0 0 391.496 4.548 50 0 GJAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCCC(C)C)c(=O)oc3c2C)c1C ZINC000030819185 210558070 /nfs/dbraw/zinc/55/80/70/210558070.db2.gz KSXRROKEMQXGOD-UHFFFAOYSA-N 0 0 383.488 4.868 50 0 GJAARN CC(=O)N1CCc2cc(C(=O)N[C@@H](C)Cc3ccc(-c4ccccc4)cc3)ccc21 ZINC000040145888 210537085 /nfs/dbraw/zinc/53/70/85/210537085.db2.gz IJDOTRMIKXMUNC-SFHVURJKSA-N 0 0 398.506 4.624 50 0 GJAARN C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292476 210525997 /nfs/dbraw/zinc/52/59/97/210525997.db2.gz IHWLCHPWKBUBSP-OAHLLOKOSA-N 0 0 384.838 4.875 50 0 GJAARN CCCc1cc(C(=O)Nc2ccnn2Cc2ccc(OC)cc2OC)sc1C ZINC000026880420 210508385 /nfs/dbraw/zinc/50/83/85/210508385.db2.gz JWSKXPDBVXIVBM-UHFFFAOYSA-N 0 0 399.516 4.523 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000038488592 210487806 /nfs/dbraw/zinc/48/78/06/210487806.db2.gz ASZLMLTWDXIWGC-UHFFFAOYSA-N 0 0 382.822 4.913 50 0 GJAARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cccc2c[nH]nc21 ZINC000025669067 210486674 /nfs/dbraw/zinc/48/66/74/210486674.db2.gz VFCPSVJEEZYLIB-BPURVQTLSA-N 0 0 379.463 4.590 50 0 GJAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@H](C)COC)cc2)cc1 ZINC000023306683 210438449 /nfs/dbraw/zinc/43/84/49/210438449.db2.gz WCHNGFWRDGKEMH-GOSISDBHSA-N 0 0 391.515 4.647 50 0 GJAARN Cc1noc(CSc2ccc(C(=O)N(C)[C@H]3CCCc4ccccc43)cc2)n1 ZINC000023013994 210431550 /nfs/dbraw/zinc/43/15/50/210431550.db2.gz JRLHBJPBQLUSST-FQEVSTJZSA-N 0 0 393.512 4.820 50 0 GJAARN COc1cccc(C(=O)Nc2ccccc2-c2nc(Cc3ccccc3)no2)c1 ZINC000022459710 210413592 /nfs/dbraw/zinc/41/35/92/210413592.db2.gz IQIHRRKTDNJGCC-UHFFFAOYSA-N 0 0 385.423 4.588 50 0 GJAARN CCOC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000022021228 210403238 /nfs/dbraw/zinc/40/32/38/210403238.db2.gz VAGRTUIVGYUKOC-UHFFFAOYSA-N 0 0 396.443 4.939 50 0 GJAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000021787538 210393476 /nfs/dbraw/zinc/39/34/76/210393476.db2.gz PWVUUQSMYFSZLK-NRFANRHFSA-N 0 0 397.906 4.842 50 0 GJAARN O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1ccccc1F ZINC000021787667 210393291 /nfs/dbraw/zinc/39/32/91/210393291.db2.gz OBOMHPRKJANLLF-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN CCc1ccc(OCCCn2c3ccccc3nc2[C@H]2CCCN2C(C)=O)cc1 ZINC000021787597 210393083 /nfs/dbraw/zinc/39/30/83/210393083.db2.gz HVSSHTCKCSEVJJ-HSZRJFAPSA-N 0 0 391.515 4.751 50 0 GJAARN CCOc1cc2c(cc1NC(=O)c1csc(-c3ccsc3)n1)O[C@H](C)C2 ZINC000021837627 210396162 /nfs/dbraw/zinc/39/61/62/210396162.db2.gz YRBJNJHHXMPTFX-LLVKDONJSA-N 0 0 386.498 4.846 50 0 GJAARN O=c1c2c(ncn1Cc1ccc(F)cc1Cl)onc2-c1ccc(Cl)cc1 ZINC000021089012 210377278 /nfs/dbraw/zinc/37/72/78/210377278.db2.gz ASJIMBBUXKDHBG-UHFFFAOYSA-N 0 0 390.201 4.546 50 0 GJAARN CSc1ncc(C(=O)N[C@@H](C)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000021529713 210383634 /nfs/dbraw/zinc/38/36/34/210383634.db2.gz ODWQEKXEEBJOCH-INIZCTEOSA-N 0 0 377.513 4.617 50 0 GJAARN CCCCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(Cl)cc1 ZINC000021361632 210381378 /nfs/dbraw/zinc/38/13/78/210381378.db2.gz SJXHBGGVUFPXPW-UHFFFAOYSA-N 0 0 383.879 4.912 50 0 GJAARN Brc1cccc(CSc2nnc3sc4ccccc4n23)c1 ZINC000021243931 210380140 /nfs/dbraw/zinc/38/01/40/210380140.db2.gz XIJHYHWEDXGXSQ-UHFFFAOYSA-N 0 0 376.304 4.999 50 0 GJAARN COc1cc(CN2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)ccc1O ZINC000020911395 210369494 /nfs/dbraw/zinc/36/94/94/210369494.db2.gz JUFFLAOQLOMYJB-QFIPXVFZSA-N 0 0 381.497 4.907 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(C)c1)SCC(=O)N2 ZINC000020891745 210366060 /nfs/dbraw/zinc/36/60/60/210366060.db2.gz KIEKGDLPRGMMTP-IBGZPJMESA-N 0 0 383.904 4.917 50 0 GJAARN CC[C@@](O)(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868652 210364839 /nfs/dbraw/zinc/36/48/39/210364839.db2.gz QLEDSCNDBAFOPV-LEWJYISDSA-N 0 0 394.342 4.707 50 0 GJAARN O=C(NCCC1=CCCCC1)c1nnc(Cc2ccc(Cl)cc2Cl)o1 ZINC000020851801 210363263 /nfs/dbraw/zinc/36/32/63/210363263.db2.gz ZQQZEMMTFGLBBM-UHFFFAOYSA-N 0 0 380.275 4.588 50 0 GJAARN N=c1n(CC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1 ZINC000020840240 210362926 /nfs/dbraw/zinc/36/29/26/210362926.db2.gz PGOVVWIRBBVHPO-UHFFFAOYSA-N 0 0 375.859 4.507 50 0 GJAARN COc1ccc2c(ccn2CC(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000020737386 210358909 /nfs/dbraw/zinc/35/89/09/210358909.db2.gz TWOCXWGJNPMCNI-UHFFFAOYSA-N 0 0 393.668 4.705 50 0 GJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC(C)C)cc3NC2=O)cc1 ZINC000020734186 210358940 /nfs/dbraw/zinc/35/89/40/210358940.db2.gz ZLWUFANHFUAGSB-UDWIEESQSA-N 0 0 396.512 4.556 50 0 GJAARN Cc1occc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000012023631 210358778 /nfs/dbraw/zinc/35/87/78/210358778.db2.gz FXQZQVRDSLQYNI-FQEVSTJZSA-N 0 0 377.488 4.879 50 0 GJAARN Cc1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020726342 210358083 /nfs/dbraw/zinc/35/80/83/210358083.db2.gz CJLMZERZRZYWBH-UHFFFAOYSA-N 0 0 385.511 4.934 50 0 GJAARN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000020605895 210352244 /nfs/dbraw/zinc/35/22/44/210352244.db2.gz UZBIAADTKNTXTG-CYBMUJFWSA-N 0 0 387.625 4.918 50 0 GJAARN Cc1ccc([C@H](NC(=O)Nc2ccccn2)C(Cl)(Cl)Cl)cc1F ZINC000037868904 210346727 /nfs/dbraw/zinc/34/67/27/210346727.db2.gz FQZGBJAOCSAPDK-ZDUSSCGKSA-N 0 0 376.646 4.762 50 0 GJAARN Cc1ccc2c(Cl)c(C(=O)N3CCN(Cc4ccccc4)CC3)sc2c1 ZINC000020407788 210330676 /nfs/dbraw/zinc/33/06/76/210330676.db2.gz FXTUMINHRCEEOK-UHFFFAOYSA-N 0 0 384.932 4.821 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC3CCCCC3)c12 ZINC000020283541 210326492 /nfs/dbraw/zinc/32/64/92/210326492.db2.gz WXHUIJLISUEANH-UHFFFAOYSA-N 0 0 382.895 4.753 50 0 GJAARN O=C(Nc1cccc(I)c1)c1cccc(Cl)c1Cl ZINC000002653080 209374853 /nfs/dbraw/zinc/37/48/53/209374853.db2.gz VREPIUZNSXKYMS-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCCCC1 ZINC000020381065 210331758 /nfs/dbraw/zinc/33/17/58/210331758.db2.gz HIUXMDXJXVGHAM-UHFFFAOYSA-N 0 0 386.904 4.711 50 0 GJAARN Cc1ccc(COc2ccccc2/C=C2\N=C(c3cccs3)OC2=O)cc1 ZINC000002742468 209380539 /nfs/dbraw/zinc/38/05/39/209380539.db2.gz AVWNCQSZQWSPPY-AQTBWJFISA-N 0 0 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KLFVWQCQUXXLOU-UHFFFAOYSA-N 0 0 378.394 4.957 50 0 in-vitro GJAARN Cc1cc(C)n(-c2ccc(COc3nc(-c4ccccc4Cl)no3)cc2)n1 ZINC000072068253 222204545 /nfs/dbraw/zinc/20/45/45/222204545.db2.gz JDWMOJBOPYKCOP-UHFFFAOYSA-N 0 0 380.835 4.772 50 0 GJAARN Cc1nc(CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cs1 ZINC000426719794 534340612 /nfs/dbraw/zinc/34/06/12/534340612.db2.gz DBYGSPPEQVDTOS-UHFFFAOYSA-N 0 0 388.496 4.576 50 0 GJAARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)SC1=S ZINC000000974042 518827103 /nfs/dbraw/zinc/82/71/03/518827103.db2.gz BIONRCRUWCYWSD-AQTBWJFISA-N 0 0 395.505 4.601 50 0 GJAARN CCCCOC(=O)c1c(N)n(-c2ccccc2CC)c2nc3ccccc3nc21 ZINC000003321859 520721093 /nfs/dbraw/zinc/72/10/93/520721093.db2.gz WPJMBYMBGYOCOX-UHFFFAOYSA-N 0 0 388.471 4.675 50 0 GJAARN CCN(CC)c1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000239309542 520889045 /nfs/dbraw/zinc/88/90/45/520889045.db2.gz HRDZBROZDQSHGP-JRGCBEDISA-N 0 0 389.536 4.694 50 0 GJAARN Cc1cccc(-c2nc(=NNC(=S)NCc3ccccc3)[nH]c3ccccc32)c1 ZINC000408525676 534556628 /nfs/dbraw/zinc/55/66/28/534556628.db2.gz QSWZOYGFQOUXIF-UHFFFAOYSA-N 0 0 399.523 4.596 50 0 GJAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000002617782 523786518 /nfs/dbraw/zinc/78/65/18/523786518.db2.gz FAFSKTSHEFVYBS-YRNVUSSQSA-N 0 0 394.471 4.556 50 0 GJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000003356514 534850325 /nfs/dbraw/zinc/85/03/25/534850325.db2.gz FMGVUUCGEOIQPG-UHFFFAOYSA-N 0 0 384.479 4.519 50 0 GJAARN COc1ccc2nc(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)sc2c1 ZINC000004757457 525673331 /nfs/dbraw/zinc/67/33/31/525673331.db2.gz QHWJZDRKVGXFEO-QGZVFWFLSA-N 0 0 399.560 4.528 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)nc2c1 ZINC000008231622 525679122 /nfs/dbraw/zinc/67/91/22/525679122.db2.gz BMONZKPFZLDKCI-CYBMUJFWSA-N 0 0 399.541 4.581 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(Cl)cc1Cl ZINC000015582750 526509831 /nfs/dbraw/zinc/50/98/31/526509831.db2.gz FCEFOISBEOJDME-IBGZPJMESA-N 0 0 389.282 4.574 50 0 GJAARN O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@H]1c1cccs1 ZINC000242164709 526511391 /nfs/dbraw/zinc/51/13/91/526511391.db2.gz WXENGYHEJUWSHK-LZWOXQAQSA-N 0 0 376.319 4.978 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(O)c1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239347322 527118309 /nfs/dbraw/zinc/11/83/09/527118309.db2.gz MSMNYVHIMRGVNV-NEWJYFPISA-N 0 0 395.458 4.635 50 0 GJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012612868 527309348 /nfs/dbraw/zinc/30/93/48/527309348.db2.gz DZIIZUBUQNXLTR-GOSISDBHSA-N 0 0 392.430 4.577 50 0 GJAARN O=C(NC1=NCCS1)c1oc2ccccc2c1CSCc1ccccc1 ZINC000003322414 527480313 /nfs/dbraw/zinc/48/03/13/527480313.db2.gz PQKNXMGKTJAXMB-UHFFFAOYSA-N 0 0 382.510 4.699 50 0 GJAARN CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCCCC3)c2c1 ZINC000101552092 535445298 /nfs/dbraw/zinc/44/52/98/535445298.db2.gz GLSVIWKTPAUUNN-UHFFFAOYSA-N 0 0 390.483 4.863 50 0 GJAARN CCc1ccc(-c2noc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)n2)cc1 ZINC000064999118 536160131 /nfs/dbraw/zinc/16/01/31/536160131.db2.gz GTDBPKWYKHFGMR-UHFFFAOYSA-N 0 0 391.471 4.522 50 0 GJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)/C=C\c1nc2ccccc2s1 ZINC000096912991 536483453 /nfs/dbraw/zinc/48/34/53/536483453.db2.gz YHJNLFKYKGMIDW-YPKPFQOOSA-N 0 0 391.540 4.958 50 0 GJAARN CCOC(=O)c1cc(C(=O)Nc2cccc(OC)c2)n2ccc3ccccc3c12 ZINC000000624960 570211150 /nfs/dbraw/zinc/21/11/50/570211150.db2.gz UDGWUXIUVMWYBK-UHFFFAOYSA-N 0 0 388.423 4.530 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000000628619 570211329 /nfs/dbraw/zinc/21/13/29/570211329.db2.gz HKUZFGGAUHMDDP-UHFFFAOYSA-N 0 0 376.485 4.539 50 0 GJAARN CC(=O)c1cnn(-c2cc(Oc3ccc(C)cc3)nc(-c3ccccc3)n2)c1C ZINC000000632674 570212001 /nfs/dbraw/zinc/21/20/01/570212001.db2.gz OZRLXBNQLOYBDV-UHFFFAOYSA-N 0 0 384.439 4.941 50 0 GJAARN CC(C)COc1ccc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000000632753 570212217 /nfs/dbraw/zinc/21/22/17/570212217.db2.gz IRGHLZBUACMFCC-UHFFFAOYSA-N 0 0 388.265 4.613 50 0 GJAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000000635800 570212422 /nfs/dbraw/zinc/21/24/22/570212422.db2.gz NAWVBLZNAIAHLQ-FGZHOGPDSA-N 0 0 398.491 4.861 50 0 GJAARN CCOc1cc(Br)c(NC(=O)c2ccc(C)cc2)cc1OCC ZINC000000634151 570212542 /nfs/dbraw/zinc/21/25/42/570212542.db2.gz JITNRVUEZAFTDT-UHFFFAOYSA-N 0 0 378.266 4.807 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1I ZINC000000638495 570212947 /nfs/dbraw/zinc/21/29/47/570212947.db2.gz SQAGGVIBJZHRIU-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1cccs1 ZINC000000667084 570215436 /nfs/dbraw/zinc/21/54/36/570215436.db2.gz PBMKMVPAETYVGL-UHFFFAOYSA-N 0 0 389.893 4.539 50 0 GJAARN O=C(COc1ccc2ccccc2c1Br)NCCC1=CCCCC1 ZINC000000671279 570215676 /nfs/dbraw/zinc/21/56/76/570215676.db2.gz KLVTZRSJCHVERP-UHFFFAOYSA-N 0 0 388.305 4.988 50 0 GJAARN O=C(COc1ccccc1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000000670603 570215751 /nfs/dbraw/zinc/21/57/51/570215751.db2.gz KSQOWGLMCAVRQE-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN COc1cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)ccc1OC(C)C ZINC000000673057 570216080 /nfs/dbraw/zinc/21/60/80/570216080.db2.gz SOZDHCYIJZKTBD-DEDYPNTBSA-N 0 0 387.435 4.980 50 0 GJAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000000681058 570216709 /nfs/dbraw/zinc/21/67/09/570216709.db2.gz ZITPOGHXWLZOAG-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000683101 570217467 /nfs/dbraw/zinc/21/74/67/570217467.db2.gz NXQICUDRWJXQMH-HNNXBMFYSA-N 0 0 379.843 4.977 50 0 GJAARN COc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1 ZINC000032508786 570217905 /nfs/dbraw/zinc/21/79/05/570217905.db2.gz ZAGCBGMRFAZLGZ-UHFFFAOYSA-N 0 0 390.468 4.565 50 0 GJAARN Cc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000000703397 570218610 /nfs/dbraw/zinc/21/86/10/570218610.db2.gz NXWDFIGJGIVZKC-UHFFFAOYSA-N 0 0 394.780 4.758 50 0 GJAARN Nc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 ZINC000000712819 570219717 /nfs/dbraw/zinc/21/97/17/570219717.db2.gz MUVXJCGKTWFERR-UHFFFAOYSA-N 0 0 383.420 4.628 50 0 GJAARN Cc1ccccc1C(=O)N[C@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000019800744 570220633 /nfs/dbraw/zinc/22/06/33/570220633.db2.gz XQZVDHSTMZFEIM-QGZVFWFLSA-N 0 0 385.722 4.553 50 0 GJAARN COc1ccc(C(=O)N[C@H](Sc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000000725814 570221050 /nfs/dbraw/zinc/22/10/50/570221050.db2.gz TUXXXYNQMRPODQ-OAHLLOKOSA-N 0 0 390.719 4.914 50 0 GJAARN CCOC(=O)NC1(C(Cl)(Cl)Cl)Oc2cc(Cl)c(Cl)cc2O1 ZINC000000727239 570221261 /nfs/dbraw/zinc/22/12/61/570221261.db2.gz QIEYHMQVYVMJMJ-UHFFFAOYSA-N 0 0 395.453 4.535 50 0 GJAARN CC(C)C(=O)N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl ZINC000000725873 570221191 /nfs/dbraw/zinc/22/11/91/570221191.db2.gz CLGFRHADUHBLOP-LLVKDONJSA-N 0 0 378.514 4.874 50 0 GJAARN Cc1nn2c(ncc(C(=O)NCCc3ccc(C)cc3)c2C)c1-c1cccc(C)c1 ZINC000015733103 570223692 /nfs/dbraw/zinc/22/36/92/570223692.db2.gz DOKAFGNLIDLOML-UHFFFAOYSA-N 0 0 398.510 4.602 50 0 GJAARN CCOc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC ZINC000006047789 570223857 /nfs/dbraw/zinc/22/38/57/570223857.db2.gz VELSPGXOBDGVEB-UHFFFAOYSA-N 0 0 387.520 4.581 50 0 GJAARN CCN(C)C(=O)c1cc(-c2cnc(NC3CCCCC3)nc2)nc2ccccc21 ZINC000019839255 570224230 /nfs/dbraw/zinc/22/42/30/570224230.db2.gz CHJYLZLDIJATRG-UHFFFAOYSA-N 0 0 389.503 4.528 50 0 GJAARN Cc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000012811599 570225656 /nfs/dbraw/zinc/22/56/56/570225656.db2.gz ANFFDQKECKOSOS-JOCHJYFZSA-N 0 0 382.504 4.695 50 0 GJAARN O=C(OCc1cc(Cl)cc2c1OCOC2)C1(c2ccc(F)cc2)CCC1 ZINC000048250845 570226548 /nfs/dbraw/zinc/22/65/48/570226548.db2.gz YKVPPMZXZYMUMK-UHFFFAOYSA-N 0 0 376.811 4.511 50 0 GJAARN O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000022626920 570227491 /nfs/dbraw/zinc/22/74/91/570227491.db2.gz JDXZOLYJZFXOEB-UHFFFAOYSA-N 0 0 384.328 4.637 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)COC(C)(C)C2 ZINC000000869743 570227777 /nfs/dbraw/zinc/22/77/77/570227777.db2.gz AVZPERDWRIPGSP-UHFFFAOYSA-N 0 0 393.892 4.682 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000893582 570228593 /nfs/dbraw/zinc/22/85/93/570228593.db2.gz NSSPMISCNVQQCJ-UHFFFAOYSA-N 0 0 385.798 4.966 50 0 GJAARN CCC1CCC(N(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C2CC2)CC1 ZINC000048290331 570228887 /nfs/dbraw/zinc/22/88/87/570228887.db2.gz UKPVNZMDQTUKNZ-OBXNSHGQSA-N 0 0 397.563 4.890 50 0 GJAARN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCCC1 ZINC000012814743 570230276 /nfs/dbraw/zinc/23/02/76/570230276.db2.gz JNOFQKOKUPTZDJ-SFHVURJKSA-N 0 0 387.405 4.978 50 0 GJAARN Cc1cc([C@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c(C)s1 ZINC000048277479 570230472 /nfs/dbraw/zinc/23/04/72/570230472.db2.gz POWDVQDWJIOGGT-FMKPAKJESA-N 0 0 387.549 4.861 50 0 GJAARN COc1ccccc1-c1coc2cc(OCC(=O)c3ccccc3)ccc2c1=O ZINC000001464047 570230580 /nfs/dbraw/zinc/23/05/80/570230580.db2.gz FPOGNOSOKIRWDD-UHFFFAOYSA-N 0 0 386.403 4.730 50 0 biogenic GJAARN O=C(COc1ccccc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000000942883 570230731 /nfs/dbraw/zinc/23/07/31/570230731.db2.gz JFSGHXDCQRBQHE-UHFFFAOYSA-N 0 0 375.049 4.773 50 0 GJAARN Cc1nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(=O)c2ccccc12 ZINC000012815685 570230802 /nfs/dbraw/zinc/23/08/02/570230802.db2.gz JROYDLKGKIDOCA-QHCPKHFHSA-N 0 0 387.458 4.523 50 0 GJAARN COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000000951260 570231199 /nfs/dbraw/zinc/23/11/99/570231199.db2.gz XXGOVDNUUQOVHU-WYMLVPIESA-N 0 0 389.451 4.935 50 0 GJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCCc1nc2ccccc2[nH]1 ZINC000000955020 570231430 /nfs/dbraw/zinc/23/14/30/570231430.db2.gz UULXHIWNWMESIV-NTCAYCPXSA-N 0 0 397.478 4.514 50 0 GJAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)OC4CCCCC4)c32)C1 ZINC000000952366 570231526 /nfs/dbraw/zinc/23/15/26/570231526.db2.gz UGIBVPWNHXWULD-GFCCVEGCSA-N 0 0 376.547 4.784 50 0 GJAARN Brc1cnc2[nH]c(SCc3cc(-c4ccccc4)on3)nc2c1 ZINC000012817851 570231733 /nfs/dbraw/zinc/23/17/33/570231733.db2.gz FZXXONYHJUNPER-UHFFFAOYSA-N 0 0 387.262 4.668 50 0 GJAARN CCCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2)cc1OC ZINC000048286565 570231707 /nfs/dbraw/zinc/23/17/07/570231707.db2.gz NPEZLGJDPNOZEC-UHFFFAOYSA-N 0 0 385.851 4.575 50 0 GJAARN Cc1nc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)sc1C ZINC000000959332 570231972 /nfs/dbraw/zinc/23/19/72/570231972.db2.gz DBPMQIZVJSPFKC-UHFFFAOYSA-N 0 0 397.338 4.837 50 0 GJAARN COC(=O)c1ccc(COc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1 ZINC000000957162 570232003 /nfs/dbraw/zinc/23/20/03/570232003.db2.gz ABLFGCIXEPBQBR-UHFFFAOYSA-N 0 0 386.403 4.826 50 0 biogenic GJAARN CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000988032 570233390 /nfs/dbraw/zinc/23/33/90/570233390.db2.gz GWLBTTXHPLJSHI-UHFFFAOYSA-N 0 0 396.446 4.947 50 0 GJAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CNc1cccc(Cl)c1Cl ZINC000000990355 570233765 /nfs/dbraw/zinc/23/37/65/570233765.db2.gz YLABCFBZJSCZAB-UHFFFAOYSA-N 0 0 390.053 4.966 50 0 GJAARN O=C1c2ccc(Br)cc2C(=O)N1C(c1ccccc1)c1ccccc1 ZINC000000994321 570234020 /nfs/dbraw/zinc/23/40/20/570234020.db2.gz BTARPBDSQPKIJT-UHFFFAOYSA-N 0 0 392.252 4.835 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)[nH]c1C ZINC000048302485 570234818 /nfs/dbraw/zinc/23/48/18/570234818.db2.gz CWUIOBWGFYCOKF-OAQYLSRUSA-N 0 0 391.471 4.504 50 0 GJAARN CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816681 570235474 /nfs/dbraw/zinc/23/54/74/570235474.db2.gz NQIXQQBPOCKYCC-MSOLQXFVSA-N 0 0 387.270 4.672 50 0 GJAARN O=C1c2ccccc2C(=O)N1Cc1ccc([C@@H]2Nc3ccccc3-c3cccn32)o1 ZINC000001035256 570236474 /nfs/dbraw/zinc/23/64/74/570236474.db2.gz DXUFXJCFQKZEDI-JOCHJYFZSA-N 0 0 395.418 4.517 50 0 GJAARN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1CCc1ccccc1 ZINC000020038703 570236668 /nfs/dbraw/zinc/23/66/68/570236668.db2.gz FINOSXDVSOQWTC-UHFFFAOYSA-N 0 0 381.479 4.588 50 0 GJAARN Cc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000023309968 570237040 /nfs/dbraw/zinc/23/70/40/570237040.db2.gz ISAKFDKEBKHDKZ-XMMPIXPASA-N 0 0 388.486 4.682 50 0 GJAARN O=C(Nc1ccc(F)cc1F)c1nccnc1Oc1cccc(C(F)(F)F)c1 ZINC000001038589 570237137 /nfs/dbraw/zinc/23/71/37/570237137.db2.gz IOHPJCAZIZEPHS-UHFFFAOYSA-N 0 0 395.287 4.818 50 0 GJAARN O=C(COc1ccccc1)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000023312450 570237440 /nfs/dbraw/zinc/23/74/40/570237440.db2.gz NDNQOIKQBXKSSS-QHCPKHFHSA-N 0 0 377.871 4.893 50 0 GJAARN CCCN(CC(=O)Nc1ccccc1C)Cc1sccc1Br ZINC000048333620 570237597 /nfs/dbraw/zinc/23/75/97/570237597.db2.gz JWPLPAZUMALJLR-UHFFFAOYSA-N 0 0 381.339 4.670 50 0 GJAARN CCOC(=O)c1ccc2nc(NC(=O)c3ccc(F)c(Cl)c3)sc2c1 ZINC000001043138 570237895 /nfs/dbraw/zinc/23/78/95/570237895.db2.gz SSDODNZTUKRQET-UHFFFAOYSA-N 0 0 378.812 4.518 50 0 GJAARN Cc1nc(SCc2c(Cl)cccc2Cl)nc(OC(=O)N(C)C)c1C ZINC000001044469 570237900 /nfs/dbraw/zinc/23/79/00/570237900.db2.gz VLFZMOARXRDGQA-UHFFFAOYSA-N 0 0 386.304 4.753 50 0 GJAARN CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3cc(C)no3)s2)cc1 ZINC000048326302 570237917 /nfs/dbraw/zinc/23/79/17/570237917.db2.gz FLCNHZPSUKISRB-KRWDZBQOSA-N 0 0 397.500 4.791 50 0 GJAARN Cc1cccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1C ZINC000013009898 570238081 /nfs/dbraw/zinc/23/80/81/570238081.db2.gz MGDWWUGNGBWKLD-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc4ccccc42)S3)cc1 ZINC000001473489 570239507 /nfs/dbraw/zinc/23/95/07/570239507.db2.gz ABBSVTUEQJCTOT-LJQANCHMSA-N 0 0 387.464 4.984 50 0 GJAARN CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C)C2 ZINC000001081025 570241399 /nfs/dbraw/zinc/24/13/99/570241399.db2.gz CHNDADPZYPZVAY-AWEZNQCLSA-N 0 0 388.533 4.980 50 0 GJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccc(Cl)cc1 ZINC000001107302 570241792 /nfs/dbraw/zinc/24/17/92/570241792.db2.gz IJAPCPUFCPPVCX-JXMROGBWSA-N 0 0 391.876 4.741 50 0 GJAARN Cc1c(C[NH2+]Cc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776831 570242157 /nfs/dbraw/zinc/24/21/57/570242157.db2.gz XGZYTCQQMOYJLM-UHFFFAOYSA-N 0 0 380.463 4.589 50 0 GJAARN O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccs1 ZINC000001107701 570242419 /nfs/dbraw/zinc/24/24/19/570242419.db2.gz HIMUCRQWNXOQSQ-UHFFFAOYSA-N 0 0 390.420 4.505 50 0 GJAARN CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1Cl ZINC000001110388 570242478 /nfs/dbraw/zinc/24/24/78/570242478.db2.gz IBXHVHJYJKWHQJ-UHFFFAOYSA-N 0 0 382.685 4.991 50 0 GJAARN O=C(CSCc1cccnc1)Nc1nc(-c2ccccc2Cl)cs1 ZINC000048356443 570242806 /nfs/dbraw/zinc/24/28/06/570242806.db2.gz ZTKMEJWFDHYIQH-UHFFFAOYSA-N 0 0 375.906 4.730 50 0 GJAARN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000001114435 570243048 /nfs/dbraw/zinc/24/30/48/570243048.db2.gz MDBVMGHGFSRMBV-QHHAFSJGSA-N 0 0 390.222 4.760 50 0 GJAARN CCc1cc(Br)ccc1NC(=O)Nc1ccc(OC)cc1OC ZINC000001119810 570243498 /nfs/dbraw/zinc/24/34/98/570243498.db2.gz BXHASLODVOPUJB-UHFFFAOYSA-N 0 0 379.254 4.673 50 0 GJAARN Cc1nnc(SCC(=O)Nc2c(C)cccc2C)n1-c1ccc(C)c(C)c1 ZINC000001139902 570247342 /nfs/dbraw/zinc/24/73/42/570247342.db2.gz PMICLFDUMRDEHE-UHFFFAOYSA-N 0 0 380.517 4.540 50 0 GJAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000001140087 570247428 /nfs/dbraw/zinc/24/74/28/570247428.db2.gz PWSDMHVCINAXPN-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN COc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1C(C)C ZINC000001139766 570247434 /nfs/dbraw/zinc/24/74/34/570247434.db2.gz AZIQHDHJGGWCKJ-UYRXBGFRSA-N 0 0 380.513 4.731 50 0 GJAARN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)cc1 ZINC000001144316 570248168 /nfs/dbraw/zinc/24/81/68/570248168.db2.gz HETAPIPJKSYOBH-UHFFFAOYSA-N 0 0 378.453 4.694 50 0 GJAARN CC(C)c1cccc(NC(=O)N(CCCn2ccnc2)Cc2ccncc2)c1 ZINC000097675302 570248886 /nfs/dbraw/zinc/24/88/86/570248886.db2.gz HIRLQQXKSJCXRK-UHFFFAOYSA-N 0 0 377.492 4.526 50 0 GJAARN COc1cc([C@@H]2O[C@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000020228295 570248995 /nfs/dbraw/zinc/24/89/95/570248995.db2.gz LOKJUZWMHIWIBX-UVQUFPMPSA-N 0 0 398.455 4.587 50 0 GJAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=O)c2cncc(Br)c2)c1 ZINC000001155463 570249922 /nfs/dbraw/zinc/24/99/22/570249922.db2.gz SNUISTQCCXUYMA-UHFFFAOYSA-N 0 0 383.673 4.753 50 0 GJAARN CCCc1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 ZINC000001168670 570253034 /nfs/dbraw/zinc/25/30/34/570253034.db2.gz KJXNESIIFGCVGM-UHFFFAOYSA-N 0 0 386.452 4.853 50 0 GJAARN CC[C@H](C)c1ccc(NC(=O)c2cc(Br)ccc2OC)c(O)c1 ZINC000001170601 570253075 /nfs/dbraw/zinc/25/30/75/570253075.db2.gz KQLZPGBZUVPYKJ-NSHDSACASA-N 0 0 378.266 4.929 50 0 GJAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccccc1Cl)CC(=O)N2 ZINC000001509727 570253508 /nfs/dbraw/zinc/25/35/08/570253508.db2.gz NFTJNEYIGOJVBU-QFIPXVFZSA-N 0 0 390.870 4.832 50 0 GJAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1cc(C)cc(C)c1)CC(=O)N2 ZINC000001509759 570253569 /nfs/dbraw/zinc/25/35/69/570253569.db2.gz RSNFADCOLGXFNB-DEOSSOPVSA-N 0 0 384.479 4.796 50 0 GJAARN CCOc1ccccc1[C@H]1c2cc3c(cc2O[C@](C)(N2CCCC2)[C@@H]1C)OCO3 ZINC000020388400 570253823 /nfs/dbraw/zinc/25/38/23/570253823.db2.gz LPWYMVXRDVBDOS-XRJVTAMDSA-N 0 0 395.499 4.786 50 0 GJAARN COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2OC)c1C ZINC000000637664 570254267 /nfs/dbraw/zinc/25/42/67/570254267.db2.gz WKIGKXQXKFFWIN-UHFFFAOYSA-N 0 0 390.439 4.517 50 0 GJAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001181160 570255127 /nfs/dbraw/zinc/25/51/27/570255127.db2.gz WNEZFPVNLLGLNL-VAWYXSNFSA-N 0 0 389.436 4.614 50 0 GJAARN COC(=O)c1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000001183138 570255843 /nfs/dbraw/zinc/25/58/43/570255843.db2.gz HBWDUNBXFRZWES-HXUWFJFHSA-N 0 0 377.465 4.945 50 0 GJAARN O=C(COCc1cc(-c2cccs2)on1)Nc1cccc(C(F)(F)F)c1 ZINC000020438147 570256129 /nfs/dbraw/zinc/25/61/29/570256129.db2.gz QKUYSCACQZOYGE-UHFFFAOYSA-N 0 0 382.363 4.577 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NCc2ccccc2)[nH]n1 ZINC000048987298 570256439 /nfs/dbraw/zinc/25/64/39/570256439.db2.gz YAYSNDAJQBBHAZ-UHFFFAOYSA-N 0 0 392.459 4.578 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Br ZINC000001262850 570259733 /nfs/dbraw/zinc/25/97/33/570259733.db2.gz GJEBAALAXWJEFA-UHFFFAOYSA-N 0 0 386.192 4.702 50 0 GJAARN COc1ccc(Cc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000001274450 570260042 /nfs/dbraw/zinc/26/00/42/570260042.db2.gz UNCWUBPHAJDBBA-UHFFFAOYSA-N 0 0 381.501 4.687 50 0 GJAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 ZINC000001263272 570260066 /nfs/dbraw/zinc/26/00/66/570260066.db2.gz BNAQTWPYQLCTEW-UHFFFAOYSA-N 0 0 386.455 4.688 50 0 GJAARN CCc1cc(I)ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000001267229 570260178 /nfs/dbraw/zinc/26/01/78/570260178.db2.gz DECJGHQICLDFKI-UHFFFAOYSA-N 0 0 399.659 4.688 50 0 GJAARN O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(Cl)cc1Cl ZINC000001387985 570261511 /nfs/dbraw/zinc/26/15/11/570261511.db2.gz LBBCYPBBUXIPMQ-UHFFFAOYSA-N 0 0 382.634 4.585 50 0 GJAARN Cc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073064 570263139 /nfs/dbraw/zinc/26/31/39/570263139.db2.gz GKRGIEOKJXPGTO-UHFFFAOYSA-N 0 0 394.212 4.577 50 0 GJAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1cc(F)ccc1Cl ZINC000098211289 570263862 /nfs/dbraw/zinc/26/38/62/570263862.db2.gz JAIWPUOTWBSMAM-UHFFFAOYSA-N 0 0 396.809 4.636 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2 ZINC000001460056 570263883 /nfs/dbraw/zinc/26/38/83/570263883.db2.gz IVWIZPCIFDEDKA-IBGZPJMESA-N 0 0 389.451 4.757 50 0 GJAARN COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000085988066 570264493 /nfs/dbraw/zinc/26/44/93/570264493.db2.gz KPVJGJYLMZIMJC-ZWKOTPCHSA-N 0 0 377.271 4.512 50 0 GJAARN Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2c(F)cccc2Cl)no1 ZINC000012850361 570265902 /nfs/dbraw/zinc/26/59/02/570265902.db2.gz SSEGSIQAUKEWRQ-IBGZPJMESA-N 0 0 387.842 4.587 50 0 GJAARN Cc1cc(CN(C)Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)on1 ZINC000020541350 570266719 /nfs/dbraw/zinc/26/67/19/570266719.db2.gz WGMADBCYPHBDMC-UHFFFAOYSA-N 0 0 380.423 4.508 50 0 GJAARN C[S@@](=O)c1ccccc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000012857064 570267552 /nfs/dbraw/zinc/26/75/52/570267552.db2.gz HGIRZWHIUNJUDN-VWLOTQADSA-N 0 0 391.901 4.558 50 0 GJAARN O=C(NC1CCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022629500 570267967 /nfs/dbraw/zinc/26/79/67/570267967.db2.gz UFMCCXBCCVGNNZ-JOCHJYFZSA-N 0 0 397.950 4.699 50 0 GJAARN Cc1ccc(OCCCC(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000001783134 570268478 /nfs/dbraw/zinc/26/84/78/570268478.db2.gz IUNCRZBMDUVOHC-UHFFFAOYSA-N 0 0 396.434 4.686 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1)C(F)(F)F ZINC000001797108 570268741 /nfs/dbraw/zinc/26/87/41/570268741.db2.gz ZTJWVKSUOHWBLZ-UHFFFAOYSA-N 0 0 393.283 4.664 50 0 GJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1cccc(Cl)c1 ZINC000012865033 570269029 /nfs/dbraw/zinc/26/90/29/570269029.db2.gz KOCHGTJDXMJMJD-UHFFFAOYSA-N 0 0 388.876 4.827 50 0 GJAARN Fc1ccc(-n2ncc3c2nc(-c2ccc4c(c2)OCO4)cc3C(F)F)cc1 ZINC000020603130 570270620 /nfs/dbraw/zinc/27/06/20/570270620.db2.gz TUOQHYCWQVJODQ-UHFFFAOYSA-N 0 0 383.329 4.893 50 0 GJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)c1 ZINC000002049798 570272397 /nfs/dbraw/zinc/27/23/97/570272397.db2.gz ZDOCZQXKOSBONL-UHFFFAOYSA-N 0 0 376.909 4.954 50 0 GJAARN CCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000002053754 570272556 /nfs/dbraw/zinc/27/25/56/570272556.db2.gz IZFLQAPOVOUUAC-UHFFFAOYSA-N 0 0 383.300 4.909 50 0 GJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 ZINC000002052331 570272637 /nfs/dbraw/zinc/27/26/37/570272637.db2.gz SYXAPMGVSVIODT-UHFFFAOYSA-N 0 0 399.560 4.839 50 0 GJAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@@H](C)c3ccn(C)n3)cc12 ZINC000020615990 570272690 /nfs/dbraw/zinc/27/26/90/570272690.db2.gz HKEILRISVUOKME-KRWDZBQOSA-N 0 0 386.499 4.531 50 0 GJAARN O=C(Nc1ccccn1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020615906 570272712 /nfs/dbraw/zinc/27/27/12/570272712.db2.gz WJYHKUHHDNZGLD-UHFFFAOYSA-N 0 0 388.374 4.753 50 0 GJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1Br ZINC000012871599 570273287 /nfs/dbraw/zinc/27/32/87/570273287.db2.gz YUCVZLMOCJNPFL-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)C)cc1OC ZINC000005107072 570273818 /nfs/dbraw/zinc/27/38/18/570273818.db2.gz SWZRYMKOWXNCQP-UHFFFAOYSA-N 0 0 396.443 4.687 50 0 GJAARN CC(C)OC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCC2 ZINC000002103352 570274902 /nfs/dbraw/zinc/27/49/02/570274902.db2.gz FQNBTAUEZXHAJO-INIZCTEOSA-N 0 0 390.332 4.715 50 0 GJAARN COc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1Cl ZINC000012874979 570274506 /nfs/dbraw/zinc/27/45/06/570274506.db2.gz QGSYPIGKKOKREY-UHFFFAOYSA-N 0 0 379.641 4.845 50 0 GJAARN Cc1ccnc(-c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cc2)n1 ZINC000115131471 570274513 /nfs/dbraw/zinc/27/45/13/570274513.db2.gz KNUGPJYIDUKJJF-UHFFFAOYSA-N 0 0 395.466 4.767 50 0 GJAARN Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC3 ZINC000015841973 570275187 /nfs/dbraw/zinc/27/51/87/570275187.db2.gz KCWLVJQGOWCAMN-UHFFFAOYSA-N 0 0 380.513 4.592 50 0 GJAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1Cl ZINC000012876506 570275212 /nfs/dbraw/zinc/27/52/12/570275212.db2.gz KZXANCYKERZQDY-UHFFFAOYSA-N 0 0 395.330 4.655 50 0 GJAARN O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000020715049 570275448 /nfs/dbraw/zinc/27/54/48/570275448.db2.gz AINBBHWRFOQKQM-INIZCTEOSA-N 0 0 384.798 4.514 50 0 GJAARN CCOc1ccc(CN(C)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 ZINC000012878921 570275838 /nfs/dbraw/zinc/27/58/38/570275838.db2.gz DDOMBQUEJNRFSN-UHFFFAOYSA-N 0 0 398.484 4.573 50 0 GJAARN O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000005181237 570275864 /nfs/dbraw/zinc/27/58/64/570275864.db2.gz BEXQKLBSRPLGCE-UHFFFAOYSA-N 0 0 398.340 4.627 50 0 GJAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000005763593 570275946 /nfs/dbraw/zinc/27/59/46/570275946.db2.gz GUQPHVVKQDFQQW-QGZVFWFLSA-N 0 0 375.469 4.635 50 0 GJAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000005763592 570275963 /nfs/dbraw/zinc/27/59/63/570275963.db2.gz XWWMJVBTZZJPPZ-QGZVFWFLSA-N 0 0 391.924 4.912 50 0 GJAARN CSc1cccc(NC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2)c1 ZINC000002152380 570276518 /nfs/dbraw/zinc/27/65/18/570276518.db2.gz XBNIVWDROWQYGG-ZHZULCJRSA-N 0 0 392.480 4.720 50 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/nfs/dbraw/zinc/27/91/73/570279173.db2.gz QSCWQOIJNHRBTC-UHFFFAOYSA-N 0 0 377.256 4.835 50 0 GJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)c1cccs1 ZINC000012262089 570279297 /nfs/dbraw/zinc/27/92/97/570279297.db2.gz GSWLEEBYBWPRAF-MRXNPFEDSA-N 0 0 399.541 4.694 50 0 GJAARN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000644328 570279683 /nfs/dbraw/zinc/27/96/83/570279683.db2.gz AVHBFIHBLCYSGY-INIZCTEOSA-N 0 0 388.341 4.738 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 ZINC000015863895 570279832 /nfs/dbraw/zinc/27/98/32/570279832.db2.gz QXOHRYORLSBGOG-QGZVFWFLSA-N 0 0 385.467 4.754 50 0 GJAARN CCc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)cc1 ZINC000100985184 570280191 /nfs/dbraw/zinc/28/01/91/570280191.db2.gz KEKTUTWEECCLHT-GOSISDBHSA-N 0 0 381.277 4.659 50 0 GJAARN CCc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002250031 570280473 /nfs/dbraw/zinc/28/04/73/570280473.db2.gz HVXSIDABDAWEMB-UHFFFAOYSA-N 0 0 388.471 4.531 50 0 GJAARN 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CCCCCNC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831689 570335560 /nfs/dbraw/zinc/33/55/60/570335560.db2.gz NXRINLYCQCKUSR-UHFFFAOYSA-N 0 0 384.483 4.983 50 0 GJAARN Cc1ccc(Nc2nc(CN(C)CC(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000007493902 570335975 /nfs/dbraw/zinc/33/59/75/570335975.db2.gz VEXRKTZQEYZGLE-UHFFFAOYSA-N 0 0 394.544 4.882 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)Cc2cccs2)cc1OC ZINC000034793936 570336559 /nfs/dbraw/zinc/33/65/59/570336559.db2.gz LHCPCZJUPUTZRD-UHFFFAOYSA-N 0 0 399.516 4.535 50 0 GJAARN CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1ccccc1Cl ZINC000034793880 570336716 /nfs/dbraw/zinc/33/67/16/570336716.db2.gz IDQFELNYLJYPRS-UHFFFAOYSA-N 0 0 399.878 4.952 50 0 GJAARN CC[C@@H](C(=O)Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1C1CC1)c1ccccc1 ZINC000034794550 570337105 /nfs/dbraw/zinc/33/71/05/570337105.db2.gz ISWPFPORHQQWLX-QGZVFWFLSA-N 0 0 389.455 4.815 50 0 GJAARN CC(C)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000002461087 570338949 /nfs/dbraw/zinc/33/89/49/570338949.db2.gz DGABBCSNZMPZAB-UHFFFAOYSA-N 0 0 381.450 4.655 50 0 GJAARN CCCn1c2ccccc2nc1N1CCC(C(=O)Nc2ccc(C)cc2)CC1 ZINC000034906592 570339109 /nfs/dbraw/zinc/33/91/09/570339109.db2.gz XGFUQHTWIFSMHV-UHFFFAOYSA-N 0 0 376.504 4.610 50 0 GJAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)cc1C ZINC000012342008 570340273 /nfs/dbraw/zinc/34/02/73/570340273.db2.gz VYKBMXYGZKNVHV-UHFFFAOYSA-N 0 0 389.480 4.683 50 0 GJAARN Cc1cccc(-n2nc(C(=O)N[C@H]3CCCc4ccccc43)nc2-c2ccco2)c1 ZINC000034911484 570341021 /nfs/dbraw/zinc/34/10/21/570341021.db2.gz QAGCBOSKFQNHFQ-FQEVSTJZSA-N 0 0 398.466 4.643 50 0 GJAARN Cc1ccn2cc(-c3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)nc2n1 ZINC000023997126 570341892 /nfs/dbraw/zinc/34/18/92/570341892.db2.gz HUNFZAFGGFDQEI-UHFFFAOYSA-N 0 0 396.372 4.976 50 0 GJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023058382 570342428 /nfs/dbraw/zinc/34/24/28/570342428.db2.gz SHXIOOCEDGUAGU-CQSZACIVSA-N 0 0 384.863 4.655 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)COc3ccc(C(C)=O)cc3)n2)cc1 ZINC000006220617 570343079 /nfs/dbraw/zinc/34/30/79/570343079.db2.gz ZIBDTHKHVMHEEP-UHFFFAOYSA-N 0 0 380.469 4.593 50 0 GJAARN COc1c(C)cc([C@@H]2CCc3nc(C(=O)Nc4ccc(C)cc4)cn3C2)cc1C ZINC000034899204 570343416 /nfs/dbraw/zinc/34/34/16/570343416.db2.gz USIVNBIHCYBSJT-GOSISDBHSA-N 0 0 389.499 4.799 50 0 GJAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1ccc(F)cc1 ZINC000034914955 570343937 /nfs/dbraw/zinc/34/39/37/570343937.db2.gz QPXRYESMVBYTBV-UHFFFAOYSA-N 0 0 381.357 4.979 50 0 GJAARN Cc1ccc2ncn(C3CCN(C(=O)[C@H](c4ccccc4)C(C)C)CC3)c2c1 ZINC000034915429 570344300 /nfs/dbraw/zinc/34/43/00/570344300.db2.gz KQVUPRSDDRMGQM-QHCPKHFHSA-N 0 0 375.516 4.948 50 0 GJAARN COc1cc2c(cc1OC)[C@H](C)N(CC(=O)c1c(C)[nH]c3cc(C)ccc31)CC2 ZINC000035361867 570344469 /nfs/dbraw/zinc/34/44/69/570344469.db2.gz DULSPCXSOQRNAF-INIZCTEOSA-N 0 0 392.499 4.604 50 0 biogenic GJAARN CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000006237716 570347456 /nfs/dbraw/zinc/34/74/56/570347456.db2.gz NMURDPGOSMQHFD-UHFFFAOYSA-N 0 0 386.860 4.684 50 0 GJAARN COc1ccccc1CNC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C ZINC000023174832 570347730 /nfs/dbraw/zinc/34/77/30/570347730.db2.gz ANAKHJRKWASOAH-UHFFFAOYSA-N 0 0 393.468 4.507 50 0 GJAARN CC(C)(C)NC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O ZINC000003615990 570348790 /nfs/dbraw/zinc/34/87/90/570348790.db2.gz CPFUEANGYZBIQQ-HNNXBMFYSA-N 0 0 376.294 4.591 50 0 GJAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)c1 ZINC000035398251 570349348 /nfs/dbraw/zinc/34/93/48/570349348.db2.gz NZYVDXXWKXCYGP-HXUWFJFHSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(C)c4)C3)nn2)cc1 ZINC000035398101 570349407 /nfs/dbraw/zinc/34/94/07/570349407.db2.gz OJHVQMGZEDQVQG-HXUWFJFHSA-N 0 0 386.499 4.616 50 0 GJAARN COc1cc(C)c(NC(=O)COc2ccccc2-c2ccccc2)cc1OC ZINC000006259205 570351707 /nfs/dbraw/zinc/35/17/07/570351707.db2.gz QEYJWBPTKWUAFP-UHFFFAOYSA-N 0 0 377.440 4.697 50 0 GJAARN Cc1nnc(-c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)o1 ZINC000035423087 570354704 /nfs/dbraw/zinc/35/47/04/570354704.db2.gz UVLYXIOADAAMGE-UHFFFAOYSA-N 0 0 380.835 4.600 50 0 GJAARN S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2ccncc2)n1C1CC1 ZINC000008105946 570357114 /nfs/dbraw/zinc/35/71/14/570357114.db2.gz BUDIPWXZUGHCDQ-UHFFFAOYSA-N 0 0 389.528 4.558 50 0 GJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCCCn1cccc1 ZINC000604418879 570362775 /nfs/dbraw/zinc/36/27/75/570362775.db2.gz QYVCAJNUKMDOAV-OAQYLSRUSA-N 0 0 379.504 4.732 50 0 GJAARN COc1ccc([C@@H](NC(=O)Nc2cccc3c2ccn3C)C(C)C)cc1OC ZINC000604418890 570362785 /nfs/dbraw/zinc/36/27/85/570362785.db2.gz RTWOIGZGTIRRDF-NRFANRHFSA-N 0 0 381.476 4.714 50 0 GJAARN O=C(NCc1cncc(-c2ccco2)c1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000575618387 570363395 /nfs/dbraw/zinc/36/33/95/570363395.db2.gz MKUIEWQOJOJFON-UHFFFAOYSA-N 0 0 394.431 4.926 50 0 GJAARN CC(C)CSc1nc2c3cccnc3sc2c(=O)n1Cc1ccccc1 ZINC000035462596 570363993 /nfs/dbraw/zinc/36/39/93/570363993.db2.gz XRBJKOYZTJQFMM-UHFFFAOYSA-N 0 0 381.526 4.803 50 0 GJAARN COc1ccccc1Nc1cc(C(=O)NCc2cccs2)c2ccccc2n1 ZINC000004911821 570364273 /nfs/dbraw/zinc/36/42/73/570364273.db2.gz UDIQFQCNROJRLF-UHFFFAOYSA-N 0 0 389.480 4.979 50 0 aggregator GJAARN Cc1c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000023531760 570364274 /nfs/dbraw/zinc/36/42/74/570364274.db2.gz BJBYNBLMKHNKEP-UHFFFAOYSA-N 0 0 392.421 4.769 50 0 GJAARN Cn1c(SCc2ccccc2Cl)nnc1-c1sc2ncccc2c1N ZINC000035477238 570365870 /nfs/dbraw/zinc/36/58/70/570365870.db2.gz YNNMIMYVJIEOJX-UHFFFAOYSA-N 0 0 387.921 4.620 50 0 GJAARN COc1ccc(Nc2[nH]c(=S)nc3cc(OC)c(OC)cc32)cc1Cl ZINC000004919085 570366175 /nfs/dbraw/zinc/36/61/75/570366175.db2.gz JLULHWWXSSHIPP-UHFFFAOYSA-N 0 0 377.853 4.715 50 0 GJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000023621084 570367134 /nfs/dbraw/zinc/36/71/34/570367134.db2.gz MPNKCBFZZYZWBC-GOSISDBHSA-N 0 0 382.463 4.788 50 0 GJAARN COc1cc(CC(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC ZINC000006307117 570367314 /nfs/dbraw/zinc/36/73/14/570367314.db2.gz QFBRXQNNDXZQKT-UHFFFAOYSA-N 0 0 393.439 4.686 50 0 GJAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OCc1ccc(F)cc1 ZINC000023693822 570369240 /nfs/dbraw/zinc/36/92/40/570369240.db2.gz AWPLJOSFCCPTIM-HXUWFJFHSA-N 0 0 377.415 4.658 50 0 GJAARN O=C(NCc1nccnc1-c1cccs1)Nc1ccc(C(F)(F)F)cc1 ZINC000575620311 570369364 /nfs/dbraw/zinc/36/93/64/570369364.db2.gz LXDIGEJOUKRJMO-UHFFFAOYSA-N 0 0 378.379 4.546 50 0 GJAARN COc1cccc(NC(=O)CSc2c3ccccc3nc3c2CCCC3)c1 ZINC000004922103 570369715 /nfs/dbraw/zinc/36/97/15/570369715.db2.gz UCVPPJCRLDJQCU-UHFFFAOYSA-N 0 0 378.497 4.853 50 0 GJAARN CC(C)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1F)S2 ZINC000004932102 570372996 /nfs/dbraw/zinc/37/29/96/570372996.db2.gz YRBIZAIBSHSPRA-MOSHPQCFSA-N 0 0 398.503 4.711 50 0 GJAARN C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000023864458 570374005 /nfs/dbraw/zinc/37/40/05/570374005.db2.gz PSPZKFZIQCFSML-VIFPVBQESA-N 0 0 386.757 4.527 50 0 GJAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)c2nc(C(C)(C)C)no2)n[nH]1 ZINC000024045753 570377541 /nfs/dbraw/zinc/37/75/41/570377541.db2.gz ADTYHPPQBQZLSZ-SECBINFHSA-N 0 0 393.900 4.668 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(Br)c2)cc1 ZINC000012887389 570377754 /nfs/dbraw/zinc/37/77/54/570377754.db2.gz IYJRTSLOYQUWLM-UBIUBJKMSA-N 0 0 386.289 4.835 50 0 GJAARN CC(C)n1c(=O)c2ccccc2nc1SCc1ncc(-c2ccccc2)o1 ZINC000024218080 570380818 /nfs/dbraw/zinc/38/08/18/570380818.db2.gz NBOSPRXCSQFTCE-UHFFFAOYSA-N 0 0 377.469 4.925 50 0 GJAARN Cc1occc1-c1nn(CN2CCC(C)CC2)c(=S)n1Cc1ccccc1 ZINC000024253897 570381589 /nfs/dbraw/zinc/38/15/89/570381589.db2.gz AGZDYTRTMAZBMV-UHFFFAOYSA-N 0 0 382.533 4.720 50 0 GJAARN O=C(NCc1ccccc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012973686 570382670 /nfs/dbraw/zinc/38/26/70/570382670.db2.gz KTDNYCKVMWIEJO-UHFFFAOYSA-N 0 0 389.842 4.987 50 0 GJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Br)cc2)n1C1CCCCC1 ZINC000004960954 570382801 /nfs/dbraw/zinc/38/28/01/570382801.db2.gz NWLRZYZRYKFXPV-GOSISDBHSA-N 0 0 386.293 4.743 50 0 GJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(F)c(Cl)c2)n1Cc1ccc(F)cc1 ZINC000004960967 570382821 /nfs/dbraw/zinc/38/28/21/570382821.db2.gz XNINVPFWGQFKRD-LJQANCHMSA-N 0 0 385.801 4.780 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2cc(OC)cc(OC)c2)cc1 ZINC000024393330 570383558 /nfs/dbraw/zinc/38/35/58/570383558.db2.gz NUGUDGRAOKYKTM-HSZRJFAPSA-N 0 0 397.515 4.789 50 0 GJAARN O=C(c1ccc2c(c1)NC(=O)CCS2)N(Cc1ccco1)Cc1cccs1 ZINC000024460173 570384206 /nfs/dbraw/zinc/38/42/06/570384206.db2.gz RXOISRWIQBIXAH-UHFFFAOYSA-N 0 0 398.509 4.618 50 0 GJAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)Nc1cc(F)ccc1F ZINC000035514988 570389534 /nfs/dbraw/zinc/38/95/34/570389534.db2.gz WTEDJRTVQXLAFJ-UHFFFAOYSA-N 0 0 391.377 4.593 50 0 GJAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NC1CCCCC1 ZINC000035515016 570389622 /nfs/dbraw/zinc/38/96/22/570389622.db2.gz JCHSEBTWBNSWCM-INIZCTEOSA-N 0 0 375.472 4.513 50 0 GJAARN COc1cc(C(=O)Nc2c(C)nn(C)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000024715374 570390155 /nfs/dbraw/zinc/39/01/55/570390155.db2.gz DNSZHVSCWOEWLH-UHFFFAOYSA-N 0 0 399.878 4.530 50 0 GJAARN O=S(=O)(Oc1ccc(Sc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 ZINC000004666646 570391219 /nfs/dbraw/zinc/39/12/19/570391219.db2.gz KCTZDGLCVUIEGG-UHFFFAOYSA-N 0 0 392.885 4.965 50 0 GJAARN COc1ccc(CC(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000035539857 570391963 /nfs/dbraw/zinc/39/19/63/570391963.db2.gz IAKPHSDIRJOHLR-UHFFFAOYSA-N 0 0 377.444 4.584 50 0 GJAARN Cc1cccc(CSc2nnc3n2c2ccsc2c(=O)n3CCC(C)C)c1 ZINC000035529055 570393488 /nfs/dbraw/zinc/39/34/88/570393488.db2.gz DXJRLAVTUIZYDL-UHFFFAOYSA-N 0 0 398.557 4.753 50 0 GJAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2CCC(C)C ZINC000035529045 570393510 /nfs/dbraw/zinc/39/35/10/570393510.db2.gz PJEDJUJLCIDFHX-UHFFFAOYSA-N 0 0 398.557 4.753 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1 ZINC000035529995 570394123 /nfs/dbraw/zinc/39/41/23/570394123.db2.gz OYFVYQRONXGKFT-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000035530323 570394127 /nfs/dbraw/zinc/39/41/27/570394127.db2.gz WUZMKXVUQHTRLW-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN CC(=O)Nc1cc(C(=O)Nc2cc(-c3noc(C4CC4)n3)sc2C)ccc1C ZINC000035554884 570395502 /nfs/dbraw/zinc/39/55/02/570395502.db2.gz PKHYZIJEQAKXOG-UHFFFAOYSA-N 0 0 396.472 4.503 50 0 GJAARN Cc1cccc(-c2nnc(-c3nc4ccccc4c(NCc4cccnc4)n3)o2)c1 ZINC000035560812 570396887 /nfs/dbraw/zinc/39/68/87/570396887.db2.gz QTZCREDPGOXRNG-UHFFFAOYSA-N 0 0 394.438 4.662 50 0 GJAARN O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(OCc2ccccc2)cc1 ZINC000005021770 570398207 /nfs/dbraw/zinc/39/82/07/570398207.db2.gz AXMMXAPWUYOVAJ-SILNSSARSA-N 0 0 380.447 4.920 50 0 GJAARN CCOc1ccc(-c2nc(NC(=O)c3ccc(C(C)=O)cc3)sc2C)cc1 ZINC000006355310 570398309 /nfs/dbraw/zinc/39/83/09/570398309.db2.gz FYTGLFCVKIUOCM-UHFFFAOYSA-N 0 0 380.469 4.972 50 0 GJAARN CCc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 ZINC000006356241 570398330 /nfs/dbraw/zinc/39/83/30/570398330.db2.gz RAELVEBAXXDMDP-UHFFFAOYSA-N 0 0 392.484 4.522 50 0 GJAARN COc1ccc([C@@H](NCc2nc(-c3cccs3)no2)c2ccccc2)cc1 ZINC000024923703 570398365 /nfs/dbraw/zinc/39/83/65/570398365.db2.gz VZULHOAHLVNLNS-FQEVSTJZSA-N 0 0 377.469 4.686 50 0 GJAARN COc1ccccc1NC(=O)c1cc2c(s1)c1ccc(Cl)cc1n(C)c2=O ZINC000005022185 570398452 /nfs/dbraw/zinc/39/84/52/570398452.db2.gz DSIODPOELWDQCF-UHFFFAOYSA-N 0 0 398.871 4.668 50 0 GJAARN CN(C)c1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000033019643 570399099 /nfs/dbraw/zinc/39/90/99/570399099.db2.gz BJMBZEZQVFLFFN-UHFFFAOYSA-N 0 0 398.510 4.677 50 0 GJAARN CC(C)(C)SCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000024976998 570400956 /nfs/dbraw/zinc/40/09/56/570400956.db2.gz UNDGYJCYCCOIMO-UHFFFAOYSA-N 0 0 379.529 4.687 50 0 GJAARN Cc1ccc([C@H](O)[P@@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000005029742 570401021 /nfs/dbraw/zinc/40/10/21/570401021.db2.gz ZMDMYYXWJFSAGA-RLWLMLJZSA-N 0 0 375.449 4.718 50 0 GJAARN O=C(CCSc1nnc(NCc2ccco2)s1)Nc1cccc(Cl)c1 ZINC000024988279 570402058 /nfs/dbraw/zinc/40/20/58/570402058.db2.gz NKVCXRVHDSDYRR-UHFFFAOYSA-N 0 0 394.909 4.518 50 0 GJAARN Cc1nc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)sc1C ZINC000024497707 570402576 /nfs/dbraw/zinc/40/25/76/570402576.db2.gz JJXAROANBUGCNG-UHFFFAOYSA-N 0 0 380.395 4.525 50 0 GJAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(F)c(C)c3)CC2)s1 ZINC000033171996 570402613 /nfs/dbraw/zinc/40/26/13/570402613.db2.gz NBOVWMIGQQYUGC-UHFFFAOYSA-N 0 0 383.492 4.907 50 0 GJAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NC4CCCC4)cc3NC2=O)cc1 ZINC000005035844 570402673 /nfs/dbraw/zinc/40/26/73/570402673.db2.gz FOLXJNXQKGSCNN-UDWIEESQSA-N 0 0 378.497 4.753 50 0 GJAARN CCc1ccc2nc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)sc2c1 ZINC000004757382 570403780 /nfs/dbraw/zinc/40/37/80/570403780.db2.gz GXOQRWBNHVDAIU-MAUKXSAKSA-N 0 0 385.577 4.770 50 0 GJAARN COc1ccc(OC)c(Nc2c(-c3ccccc3O)nc3ccc(C)cn32)c1 ZINC000035622389 570404219 /nfs/dbraw/zinc/40/42/19/570404219.db2.gz MYODUFDENYHNCO-UHFFFAOYSA-N 0 0 375.428 4.776 50 0 GJAARN CN[C@H](c1nnnn1-c1c(C)cccc1C)c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000035622714 570404238 /nfs/dbraw/zinc/40/42/38/570404238.db2.gz XEGJZAWQNJBNGG-FQEVSTJZSA-N 0 0 393.535 4.540 50 0 GJAARN Cc1csc(=O)n1CCCC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000025055234 570404427 /nfs/dbraw/zinc/40/44/27/570404427.db2.gz KEGIMWBKRHFKKN-NRFANRHFSA-N 0 0 388.577 4.710 50 0 GJAARN Cc1sc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)nc(N)c2c1C ZINC000025053971 570404488 /nfs/dbraw/zinc/40/44/88/570404488.db2.gz RTTYEOBHMNTZBZ-UHFFFAOYSA-N 0 0 381.332 4.829 50 0 GJAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000006398934 570404549 /nfs/dbraw/zinc/40/45/49/570404549.db2.gz MWSWUTDFJGUFHS-KRWDZBQOSA-N 0 0 394.902 4.609 50 0 GJAARN O=C(NCc1ccc(F)c(Cl)c1)c1sc2ncccc2c1-n1cccc1 ZINC000033297999 570405308 /nfs/dbraw/zinc/40/53/08/570405308.db2.gz GSYXLJSLAOGJOB-UHFFFAOYSA-N 0 0 385.851 4.810 50 0 GJAARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000010979864 570408583 /nfs/dbraw/zinc/40/85/83/570408583.db2.gz CXMBREYNAOJIBA-UHFFFAOYSA-N 0 0 393.390 4.728 50 0 GJAARN CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 ZINC000004833446 570409375 /nfs/dbraw/zinc/40/93/75/570409375.db2.gz SVFQBMQBWSEPHF-UHFFFAOYSA-N 0 0 393.508 4.616 50 0 GJAARN CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000004832717 570409482 /nfs/dbraw/zinc/40/94/82/570409482.db2.gz FPUZGQDDYOOCFG-UHFFFAOYSA-N 0 0 393.487 4.966 50 0 GJAARN COc1ccc2nc(NC(=O)c3c(C)noc3-c3ccc(C)cc3)sc2c1 ZINC000035672345 570411784 /nfs/dbraw/zinc/41/17/84/570411784.db2.gz FBFFVKDCPQPVKB-UHFFFAOYSA-N 0 0 379.441 4.829 50 0 GJAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc12 ZINC000006421222 570412597 /nfs/dbraw/zinc/41/25/97/570412597.db2.gz WSVMSUHSWFENQG-LLVKDONJSA-N 0 0 392.238 4.814 50 0 GJAARN C[C@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000006429099 570412663 /nfs/dbraw/zinc/41/26/63/570412663.db2.gz ROAONBIMZUFMDS-GETOMWPZSA-N 0 0 396.443 4.533 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1 ZINC000005083715 570413619 /nfs/dbraw/zinc/41/36/19/570413619.db2.gz 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Cc1ccc(Cn2c(C(=O)NC3CC3)cc3sc(Br)cc32)cc1 ZINC000037542367 570423360 /nfs/dbraw/zinc/42/33/60/570423360.db2.gz KIYWVZSPOOHHAR-UHFFFAOYSA-N 0 0 389.318 4.714 50 0 GJAARN Cc1ccc(CNC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000032950945 570423993 /nfs/dbraw/zinc/42/39/93/570423993.db2.gz AZWCCYNAWLFZHY-UHFFFAOYSA-N 0 0 398.510 4.820 50 0 GJAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)Nc1cccc(F)c1 ZINC000032950812 570424251 /nfs/dbraw/zinc/42/42/51/570424251.db2.gz YOZVJAWZZMDROV-UHFFFAOYSA-N 0 0 392.409 4.803 50 0 GJAARN CCN1C[C@H](CN(C)C(=O)Nc2cccc3ccccc32)Oc2ccccc21 ZINC000011005561 570425395 /nfs/dbraw/zinc/42/53/95/570425395.db2.gz UPXXFAHBDBUBKE-SFHVURJKSA-N 0 0 375.472 4.591 50 0 GJAARN CC1(C)Cc2c(sc3nc(SC/C=C\c4ccccc4)nc(N)c23)CO1 ZINC000005048103 570425967 /nfs/dbraw/zinc/42/59/67/570425967.db2.gz PRWLXPPRNYBPEN-TWGQIWQCSA-N 0 0 383.542 4.930 50 0 GJAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cccc(F)c3)nc2c1 ZINC000005142282 570425989 /nfs/dbraw/zinc/42/59/89/570425989.db2.gz 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ZINC000005064118 570427870 /nfs/dbraw/zinc/42/78/70/570427870.db2.gz RVVFLLXPMSYIOX-KRWDZBQOSA-N 0 0 388.817 4.682 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)CC(C)C)CC2 ZINC000022651946 570428561 /nfs/dbraw/zinc/42/85/61/570428561.db2.gz FFCOEOJEEMZHHS-QFIPXVFZSA-N 0 0 387.907 4.877 50 0 GJAARN Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 ZINC000005100320 570429228 /nfs/dbraw/zinc/42/92/28/570429228.db2.gz PGJRZDLFSGTKJH-UHFFFAOYSA-N 0 0 399.328 4.581 50 0 GJAARN CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 ZINC000005102209 570429524 /nfs/dbraw/zinc/42/95/24/570429524.db2.gz GPHWDEDNCMAKLO-RGEXLXHISA-N 0 0 396.512 4.581 50 0 GJAARN CCOc1ccc2nc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2c1 ZINC000239432719 570430001 /nfs/dbraw/zinc/43/00/01/570430001.db2.gz WFCUQECTMRFGFI-GZBFAFLISA-N 0 0 378.563 4.728 50 0 GJAARN CCOc1ccc(N2C(=O)S/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1 ZINC000027229293 570432488 /nfs/dbraw/zinc/43/24/88/570432488.db2.gz KCHKEODUTGPEQF-CPNJWEJPSA-N 0 0 399.468 4.734 50 0 GJAARN Cc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c(C)c1 ZINC000032953878 570433920 /nfs/dbraw/zinc/43/39/20/570433920.db2.gz LZSUUAZDNQVHGS-UHFFFAOYSA-N 0 0 390.487 4.641 50 0 GJAARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)cn1 ZINC000245253772 570434811 /nfs/dbraw/zinc/43/48/11/570434811.db2.gz OYOBEWYVPOOXAW-IAWJWOTRSA-N 0 0 378.516 4.519 50 0 GJAARN COc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)sc2c1 ZINC000027580770 570436550 /nfs/dbraw/zinc/43/65/50/570436550.db2.gz OROAMXINTIXLNN-UHFFFAOYSA-N 0 0 379.441 4.829 50 0 GJAARN COc1ccc(OC)c(CN(Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)c1 ZINC000027603531 570437477 /nfs/dbraw/zinc/43/74/77/570437477.db2.gz YVHIZLYJIYWAFC-UHFFFAOYSA-N 0 0 393.483 4.592 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1Cl)N(C(=O)C(C)(C)C)CC2 ZINC000022654443 570440009 /nfs/dbraw/zinc/44/00/09/570440009.db2.gz HRCCCQDYYLEPCE-FQEVSTJZSA-N 0 0 387.907 4.877 50 0 GJAARN CCOc1ccc(-c2nonc2NC(=O)c2ccc(OCC(C)C)cc2)cc1C ZINC000027746628 570441793 /nfs/dbraw/zinc/44/17/93/570441793.db2.gz VXXRLLFCBBTWGV-UHFFFAOYSA-N 0 0 395.459 4.731 50 0 GJAARN Cc1sc(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1c[nH]c2ccccc12 ZINC000011866554 570441887 /nfs/dbraw/zinc/44/18/87/570441887.db2.gz VIHYYEBFWGKGBU-CQSZACIVSA-N 0 0 375.497 4.961 50 0 GJAARN Cc1cc2oc(C(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)c2cc1Cl ZINC000027749874 570442105 /nfs/dbraw/zinc/44/21/05/570442105.db2.gz AJOUMEALQJJPNH-UHFFFAOYSA-N 0 0 395.886 4.850 50 0 GJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2)n1 ZINC000027775871 570442623 /nfs/dbraw/zinc/44/26/23/570442623.db2.gz XZPNAUGBJMMWGP-CQSZACIVSA-N 0 0 392.484 4.575 50 0 GJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C(C)(C)C ZINC000035765114 570443389 /nfs/dbraw/zinc/44/33/89/570443389.db2.gz AUIYPBZCCONDJA-LJQANCHMSA-N 0 0 398.547 4.524 50 0 GJAARN CCCCC(=O)N(CCC)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000035765890 570443671 /nfs/dbraw/zinc/44/36/71/570443671.db2.gz FUSRDPQSDRUNCX-UHFFFAOYSA-N 0 0 384.520 4.546 50 0 GJAARN Clc1ccccc1-c1ccc(CN2CCN(Cc3cscn3)CC2)s1 ZINC000027904483 570444850 /nfs/dbraw/zinc/44/48/50/570444850.db2.gz COALPZFDCJFVBS-UHFFFAOYSA-N 0 0 389.977 4.843 50 0 GJAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000100786935 570446298 /nfs/dbraw/zinc/44/62/98/570446298.db2.gz UVTDYYICUJATLY-NRFANRHFSA-N 0 0 393.450 4.586 50 0 GJAARN CC(C)c1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)cc1 ZINC000005563552 570446457 /nfs/dbraw/zinc/44/64/57/570446457.db2.gz XVPLBBRIMPKTDM-UHFFFAOYSA-N 0 0 386.908 4.979 50 0 GJAARN COc1ccc(-c2cc(NC(=O)c3oc4ccc(F)cc4c3C)on2)cc1OC ZINC000027985769 570447332 /nfs/dbraw/zinc/44/73/32/570447332.db2.gz CVASQWFDNVXCAQ-UHFFFAOYSA-N 0 0 396.374 4.805 50 0 GJAARN CCCCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc32)cc1 ZINC000001913358 570447937 /nfs/dbraw/zinc/44/79/37/570447937.db2.gz CFQWEXIDKQGRLH-UHFFFAOYSA-N 0 0 393.443 4.507 50 0 GJAARN COc1ccc(-c2nsc(NC(=O)c3oc4ccccc4c3C)n2)cc1OC ZINC000027989016 570447933 /nfs/dbraw/zinc/44/79/33/570447933.db2.gz SFKPIJQTWOEGQC-UHFFFAOYSA-N 0 0 395.440 4.529 50 0 GJAARN CC(C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000016575693 570447980 /nfs/dbraw/zinc/44/79/80/570447980.db2.gz HPYCFRISJRZMOO-UHFFFAOYSA-N 0 0 390.418 4.599 50 0 GJAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 ZINC000027991910 570448201 /nfs/dbraw/zinc/44/82/01/570448201.db2.gz IYOOHVPZOFYVQD-SFHVURJKSA-N 0 0 394.540 4.862 50 0 GJAARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(F)cc5s4)no3)ccc2O1 ZINC000027992288 570448764 /nfs/dbraw/zinc/44/87/64/570448764.db2.gz IKEWENRILVUDGV-JTQLQIEISA-N 0 0 395.415 4.666 50 0 GJAARN CCCCCOc1ccc(S(=O)(=O)NCc2ccccc2)c2ccccc12 ZINC000028251851 570453342 /nfs/dbraw/zinc/45/33/42/570453342.db2.gz WCTXBEYAKQQHID-UHFFFAOYSA-N 0 0 383.513 4.887 50 0 GJAARN Oc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1 ZINC000252628357 570455092 /nfs/dbraw/zinc/45/50/92/570455092.db2.gz SOIMNOLSNZZADW-UHFFFAOYSA-N 0 0 382.423 4.668 50 0 GJAARN Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000028292182 570456623 /nfs/dbraw/zinc/45/66/23/570456623.db2.gz NJZHIXOZGJHJHI-GOSISDBHSA-N 0 0 391.515 4.943 50 0 GJAARN CCCCN(C(=O)c1ccoc1C)c1cccc(I)c1 ZINC000072273369 570457603 /nfs/dbraw/zinc/45/76/03/570457603.db2.gz DLJXEAIGLLCGQO-UHFFFAOYSA-N 0 0 383.229 4.640 50 0 GJAARN C[C@@H]1CCc2ccccc2N1Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000521396797 570457601 /nfs/dbraw/zinc/45/76/01/570457601.db2.gz ACRNYTOLTJIOMM-LJQANCHMSA-N 0 0 398.572 4.593 50 0 GJAARN Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)c(Br)n1 ZINC000128169041 570460997 /nfs/dbraw/zinc/46/09/97/570460997.db2.gz CPGQFKTXBYRWSY-UHFFFAOYSA-N 0 0 376.641 4.606 50 0 GJAARN COc1ccc(Cn2nccc2NC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000028580681 570461677 /nfs/dbraw/zinc/46/16/77/570461677.db2.gz JVRNJQLPPFOEKK-UHFFFAOYSA-N 0 0 375.428 4.555 50 0 GJAARN Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc4ccccc4c3)nn21 ZINC000227143191 570462317 /nfs/dbraw/zinc/46/23/17/570462317.db2.gz ZZNLKWGJBHRWLY-UHFFFAOYSA-N 0 0 382.452 4.629 50 0 GJAARN C[S@@](=O)Cc1cccc(C(=O)Nc2cccc(C3SCCCS3)c2)c1 ZINC000028667097 570462531 /nfs/dbraw/zinc/46/25/31/570462531.db2.gz MIWMCEVBSTZKBO-VWLOTQADSA-N 0 0 391.583 4.686 50 0 GJAARN CCS(=O)(=O)c1cccc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)c1 ZINC000130009754 570463347 /nfs/dbraw/zinc/46/33/47/570463347.db2.gz JENGGKGMMWJUOH-UHFFFAOYSA-N 0 0 390.892 4.709 50 0 GJAARN CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cccc(Br)c1 ZINC000006515916 570464254 /nfs/dbraw/zinc/46/42/54/570464254.db2.gz XDZBGKZYWQXLEV-UHFFFAOYSA-N 0 0 390.277 4.542 50 0 GJAARN O=C(N=c1[nH]c2ccccc2s1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000028838999 570465110 /nfs/dbraw/zinc/46/51/10/570465110.db2.gz XLHPCRABWMBWNV-UHFFFAOYSA-N 0 0 382.448 4.581 50 0 GJAARN O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1cccc(Cl)c1 ZINC000006057818 570465416 /nfs/dbraw/zinc/46/54/16/570465416.db2.gz BXBCDLIYDFAVQH-UHFFFAOYSA-N 0 0 378.230 4.639 50 0 GJAARN Cc1c(Cl)ccc2c(C(=O)NCc3ccncc3)cc(-c3cccnc3)nc12 ZINC000006527109 570465979 /nfs/dbraw/zinc/46/59/79/570465979.db2.gz 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ZINC000006544141 570483187 /nfs/dbraw/zinc/48/31/87/570483187.db2.gz FMQQQPCKCWAAKM-UHFFFAOYSA-N 0 0 394.283 4.698 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CC[C@@H](CC)C2 ZINC000022661412 570484457 /nfs/dbraw/zinc/48/44/57/570484457.db2.gz XHOWHJIDOHFMSL-LLVKDONJSA-N 0 0 393.455 4.970 50 0 GJAARN CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2ccccc2)C1 ZINC000030030312 570485852 /nfs/dbraw/zinc/48/58/52/570485852.db2.gz OSDKATJAKWGLEM-LJQANCHMSA-N 0 0 397.931 4.592 50 0 GJAARN COC(=O)c1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000030210554 570486511 /nfs/dbraw/zinc/48/65/11/570486511.db2.gz WVMKGVVLEANTRT-UHFFFAOYSA-N 0 0 375.424 4.538 50 0 GJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000030592331 570491970 /nfs/dbraw/zinc/49/19/70/570491970.db2.gz CKQLQABYHCLPMD-UHFFFAOYSA-N 0 0 383.757 4.575 50 0 GJAARN CC[C@H](C)Sc1ccc(NC(=O)N2CCC(c3nnc(C)[nH]3)CC2)c(C)c1 ZINC000072293204 570494337 /nfs/dbraw/zinc/49/43/37/570494337.db2.gz OUDHYXJMWDHAEG-AWEZNQCLSA-N 0 0 387.553 4.724 50 0 GJAARN CCc1ccc2nc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)sc2c1 ZINC000005180989 570496042 /nfs/dbraw/zinc/49/60/42/570496042.db2.gz BWONALBPALRWBZ-UHFFFAOYSA-N 0 0 391.949 4.536 50 0 GJAARN COc1ccc(C(C)(CCC(=O)Nc2nccs2)c2ccc(OC)cc2)cc1 ZINC000030836256 570497251 /nfs/dbraw/zinc/49/72/51/570497251.db2.gz AAVDCDAXTOCPNZ-UHFFFAOYSA-N 0 0 396.512 4.885 50 0 GJAARN CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3cc(Br)ccc32)CC1 ZINC000140882494 570497275 /nfs/dbraw/zinc/49/72/75/570497275.db2.gz PPCNEFYOYUIWAK-UHFFFAOYSA-N 0 0 377.282 4.955 50 0 GJAARN COc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)ccc1OCC(C)C ZINC000006609030 570499933 /nfs/dbraw/zinc/49/99/33/570499933.db2.gz JWBBEAJSGYMUSP-UHFFFAOYSA-N 0 0 383.473 4.501 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000005198810 570500137 /nfs/dbraw/zinc/50/01/37/570500137.db2.gz BKWVJTHNCPVODI-UHFFFAOYSA-N 0 0 392.455 4.981 50 0 GJAARN Cc1ccccc1CC(=O)N[C@@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1 ZINC000022673544 570501250 /nfs/dbraw/zinc/50/12/50/570501250.db2.gz LKOLQOGWCIZEQY-OAHLLOKOSA-N 0 0 387.310 4.999 50 0 GJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1cc(F)ccc1F ZINC000006612028 570504532 /nfs/dbraw/zinc/50/45/32/570504532.db2.gz UYCXNMBPQLVRHE-UHFFFAOYSA-N 0 0 380.346 4.629 50 0 GJAARN Cc1cccc(-c2ncc(C(=O)N3CCCCC3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988732 570504824 /nfs/dbraw/zinc/50/48/24/570504824.db2.gz IYFZSJJPCYLLJH-UHFFFAOYSA-N 0 0 392.547 4.847 50 0 GJAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 ZINC000006616871 570505762 /nfs/dbraw/zinc/50/57/62/570505762.db2.gz QKMKZAMFWPLFGP-CQSZACIVSA-N 0 0 381.473 4.723 50 0 GJAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cccs3)C1[C@H](c1ccccc1)O2 ZINC000002707274 570506575 /nfs/dbraw/zinc/50/65/75/570506575.db2.gz MWQROICGVSRTNC-YADHBBJMSA-N 0 0 398.491 4.861 50 0 GJAARN COc1ccccc1-c1cc(CN(CC(C)C)C(=O)c2ccc(F)cc2)no1 ZINC000036004678 570509572 /nfs/dbraw/zinc/50/95/72/570509572.db2.gz SUTJGHCQDDCYQX-UHFFFAOYSA-N 0 0 382.435 4.788 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1OC(F)F ZINC000078743224 570509805 /nfs/dbraw/zinc/50/98/05/570509805.db2.gz BVGFOODFZKDRGT-UHFFFAOYSA-N 0 0 379.256 4.707 50 0 GJAARN CCc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000006626177 570509891 /nfs/dbraw/zinc/50/98/91/570509891.db2.gz AJBNZKIHTYZCBR-UHFFFAOYSA-N 0 0 381.907 4.728 50 0 GJAARN CC[C@@H]1Cn2c(C(=O)NCCc3ccc(C)cc3)cc3c2c(ccc3Cl)O1 ZINC000064658030 570512417 /nfs/dbraw/zinc/51/24/17/570512417.db2.gz PIRKPVRGWZMRSG-MRXNPFEDSA-N 0 0 382.891 4.747 50 0 GJAARN CCS[C@H]1CC[C@@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 ZINC000072303498 570514189 /nfs/dbraw/zinc/51/41/89/570514189.db2.gz PEYPQVSPDYSGKM-CABCVRRESA-N 0 0 385.957 4.787 50 0 GJAARN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000064669009 570514667 /nfs/dbraw/zinc/51/46/67/570514667.db2.gz AUARFXWQKIAQOS-KRWDZBQOSA-N 0 0 395.462 4.653 50 0 GJAARN CC1CCC(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)CC1 ZINC000064677177 570516587 /nfs/dbraw/zinc/51/65/87/570516587.db2.gz 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570520968 /nfs/dbraw/zinc/52/09/68/570520968.db2.gz JGWPWCIDFFSIDM-UHFFFAOYSA-N 0 0 398.538 4.854 50 0 GJAARN Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)s3)cs2)cc1 ZINC000006654146 570520998 /nfs/dbraw/zinc/52/09/98/570520998.db2.gz JTOZGMCFRLEIEV-UHFFFAOYSA-N 0 0 377.874 4.873 50 0 GJAARN CCN(C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1)c1cccc(Cl)c1 ZINC000006654794 570521365 /nfs/dbraw/zinc/52/13/65/570521365.db2.gz DQOOJIUPAVSGFN-UHFFFAOYSA-N 0 0 397.887 4.538 50 0 GJAARN Cc1nc2ccc(NC(=O)COc3ccc(Br)cc3F)cc2s1 ZINC000006654643 570521394 /nfs/dbraw/zinc/52/13/94/570521394.db2.gz VWWSKAMCOQTFGP-UHFFFAOYSA-N 0 0 395.253 4.524 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 ZINC000002961245 570522848 /nfs/dbraw/zinc/52/28/48/570522848.db2.gz FCTCTWRWJDRXDG-UHFFFAOYSA-N 0 0 375.453 4.548 50 0 GJAARN Cc1ccc(-n2nc3c(c2NC(=O)[C@H](C)Oc2ccccc2)CSC3)c(C)c1 ZINC000003008386 570525592 /nfs/dbraw/zinc/52/55/92/570525592.db2.gz QWZPMBFFFMLRBM-INIZCTEOSA-N 0 0 393.512 4.642 50 0 GJAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccnc(OCc2ccccc2)c1 ZINC000064720797 570525986 /nfs/dbraw/zinc/52/59/86/570525986.db2.gz XHEBZWBWMHCAON-LJQANCHMSA-N 0 0 394.471 4.767 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000005256038 570530730 /nfs/dbraw/zinc/53/07/30/570530730.db2.gz IXNSZIVQFHFLEU-OAQYLSRUSA-N 0 0 379.435 4.663 50 0 GJAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005256085 570530800 /nfs/dbraw/zinc/53/08/00/570530800.db2.gz JOLGQZONIAFRHG-HXUWFJFHSA-N 0 0 381.863 4.787 50 0 GJAARN COc1cccc(C(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)c1 ZINC000032960911 570532135 /nfs/dbraw/zinc/53/21/35/570532135.db2.gz SSRUSEYJJGVDCD-UHFFFAOYSA-N 0 0 385.467 4.917 50 0 GJAARN CC(C)CN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)C1CC1 ZINC000006689740 570533189 /nfs/dbraw/zinc/53/31/89/570533189.db2.gz VCBHBRSVDFXUIN-UHFFFAOYSA-N 0 0 380.319 4.633 50 0 GJAARN CCOc1ccc(CCNC(=O)c2cc(C)nc3c(C)cccc23)cc1OCC ZINC000032961547 570533208 /nfs/dbraw/zinc/53/32/08/570533208.db2.gz OSJJHYVHTYMPLK-UHFFFAOYSA-N 0 0 392.499 4.622 50 0 GJAARN Cc1cc(C)c(Cn2ccnc2CN(C(=O)c2ccccc2F)C2CC2)c(C)c1 ZINC000006689700 570533246 /nfs/dbraw/zinc/53/32/46/570533246.db2.gz BEPDSWWZBRVMGP-UHFFFAOYSA-N 0 0 391.490 4.801 50 0 GJAARN CCc1csc(-c2ccc(S(=O)(=O)N[C@H](CC)c3cccs3)s2)n1 ZINC000064755850 570534162 /nfs/dbraw/zinc/53/41/62/570534162.db2.gz MYDXUMGJSCPWBW-GFCCVEGCSA-N 0 0 398.600 4.925 50 0 GJAARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccc(Br)cc1 ZINC000064756518 570534743 /nfs/dbraw/zinc/53/47/43/570534743.db2.gz VSTCXCGHAATHOK-UHFFFAOYSA-N 0 0 394.265 4.742 50 0 GJAARN COc1cc(NCc2ccc(OC)c(OCc3ccccc3)c2)cc(OC)c1 ZINC000001229392 570535720 /nfs/dbraw/zinc/53/57/20/570535720.db2.gz NVIKECXEHOHLLJ-UHFFFAOYSA-N 0 0 379.456 4.904 50 0 GJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002463924 570535728 /nfs/dbraw/zinc/53/57/28/570535728.db2.gz ONRXQJYDOVSGII-PHIMTYICSA-N 0 0 385.357 4.818 50 0 GJAARN O=C(COC(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1 ZINC000001176194 570537476 /nfs/dbraw/zinc/53/74/76/570537476.db2.gz AUKRLKDXMLZXRY-UHFFFAOYSA-N 0 0 387.151 4.508 50 0 GJAARN O=C(NCC[C@@H](O)c1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000072309880 570537863 /nfs/dbraw/zinc/53/78/63/570537863.db2.gz MLRHAPAPXWEDMH-HXUWFJFHSA-N 0 0 387.911 4.576 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000005268304 570538915 /nfs/dbraw/zinc/53/89/15/570538915.db2.gz BDCZHZPGJCBDLI-UHFFFAOYSA-N 0 0 397.294 4.954 50 0 GJAARN O=C(Nc1nnc(Cc2cccc(Br)c2)s1)Nc1ccccc1 ZINC000008742922 570538953 /nfs/dbraw/zinc/53/89/53/570538953.db2.gz CAQGEIWXRNCSIW-UHFFFAOYSA-N 0 0 389.278 4.535 50 0 GJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(F)cc1 ZINC000005268349 570539713 /nfs/dbraw/zinc/53/97/13/570539713.db2.gz CCEKXMMTKSHKPD-UHFFFAOYSA-N 0 0 383.444 4.912 50 0 GJAARN Cc1cc(C)c(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c(C)c1 ZINC000002534618 570542474 /nfs/dbraw/zinc/54/24/74/570542474.db2.gz SFPOHDLHJXVLAG-UHFFFAOYSA-N 0 0 380.556 4.858 50 0 GJAARN Cc1ccc([C@@H](C)C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)s1 ZINC000072311320 570543464 /nfs/dbraw/zinc/54/34/64/570543464.db2.gz JCJQNTHVGFOVGU-OAHLLOKOSA-N 0 0 396.487 4.868 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)cc1OC ZINC000193164179 570543672 /nfs/dbraw/zinc/54/36/72/570543672.db2.gz ZUYGWKOHVHPLQA-IBGZPJMESA-N 0 0 377.444 4.621 50 0 GJAARN COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)cc1OC ZINC000002496464 570544226 /nfs/dbraw/zinc/54/42/26/570544226.db2.gz DMHOKSIQIRSGNW-UHFFFAOYSA-N 0 0 389.377 4.792 50 0 GJAARN CCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000006704989 570544774 /nfs/dbraw/zinc/54/47/74/570544774.db2.gz GYYKXUYLBNRWJR-SFHVURJKSA-N 0 0 380.488 4.623 50 0 GJAARN Cc1nc(CSc2ccccc2C(=O)NCC2(c3ccccc3)CCC2)no1 ZINC000046632637 570545122 /nfs/dbraw/zinc/54/51/22/570545122.db2.gz IGLDENAOPBJDML-UHFFFAOYSA-N 0 0 393.512 4.522 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000034858987 570545352 /nfs/dbraw/zinc/54/53/52/570545352.db2.gz KILPSXUISLGTKP-XMMPIXPASA-N 0 0 386.495 4.742 50 0 GJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@@H](C)CC ZINC000006708372 570545664 /nfs/dbraw/zinc/54/56/64/570545664.db2.gz PXMJDZPUCSEEGG-INIZCTEOSA-N 0 0 387.568 4.664 50 0 GJAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)C(C)C)c1 ZINC000006708745 570546105 /nfs/dbraw/zinc/54/61/05/570546105.db2.gz NKZCJFTTWAQZSV-QGZVFWFLSA-N 0 0 389.584 4.766 50 0 GJAARN Fc1ccccc1N1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000009187099 570550873 /nfs/dbraw/zinc/55/08/73/570550873.db2.gz OEKQMTJZPCMOBR-UHFFFAOYSA-N 0 0 384.307 4.652 50 0 GJAARN CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccccc1 ZINC000005318577 570552589 /nfs/dbraw/zinc/55/25/89/570552589.db2.gz KHBKHAIMRNURFY-UHFFFAOYSA-N 0 0 387.892 4.682 50 0 GJAARN COc1ccc(-c2nc(SCCCOc3ccc(Cl)cc3)n[nH]2)cc1 ZINC000005320537 570552876 /nfs/dbraw/zinc/55/28/76/570552876.db2.gz FFRQRVGXEYYETN-UHFFFAOYSA-N 0 0 375.881 4.695 50 0 GJAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c(OC)c1 ZINC000005320613 570553126 /nfs/dbraw/zinc/55/31/26/570553126.db2.gz FYZWDURMACDDJS-XUZZJYLKSA-N 0 0 386.451 4.946 50 0 GJAARN CCc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1 ZINC000006725277 570553231 /nfs/dbraw/zinc/55/32/31/570553231.db2.gz QTUBNEGIOLAUOD-RTWAWAEBSA-N 0 0 390.508 4.860 50 0 GJAARN COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1Cl ZINC000035511351 570554161 /nfs/dbraw/zinc/55/41/61/570554161.db2.gz DJOPJYUDBXUNND-HNNXBMFYSA-N 0 0 393.871 4.838 50 0 GJAARN Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)c(O)c1 ZINC000035615941 570555898 /nfs/dbraw/zinc/55/58/98/570555898.db2.gz LLMGBEKEOYGEIO-UHFFFAOYSA-N 0 0 395.802 4.538 50 0 GJAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)n1nc(-c2ccccc2)ccc1=O ZINC000062012619 570556534 /nfs/dbraw/zinc/55/65/34/570556534.db2.gz HPKBBRAUOXGAQD-GOSISDBHSA-N 0 0 395.462 4.777 50 0 GJAARN Cc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000009484062 570558983 /nfs/dbraw/zinc/55/89/83/570558983.db2.gz VSXUAGQZJSVUFQ-UHFFFAOYSA-N 0 0 391.862 4.622 50 0 GJAARN COc1cccc(-c2cc(CN(Cc3ccco3)C(=O)c3ccccc3)no2)c1 ZINC000036011919 570559817 /nfs/dbraw/zinc/55/98/17/570559817.db2.gz OXOWPRARCZQJFO-UHFFFAOYSA-N 0 0 388.423 4.786 50 0 GJAARN Cc1ccc(-c2noc(CNC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000005352616 570559956 /nfs/dbraw/zinc/55/99/56/570559956.db2.gz DPRGTHPOTOGLPN-UHFFFAOYSA-N 0 0 397.478 4.883 50 0 GJAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@H]1c1ccccc1 ZINC000036360279 570564186 /nfs/dbraw/zinc/56/41/86/570564186.db2.gz MVGPDFOCUGGZGI-XZOQPEGZSA-N 0 0 395.462 4.717 50 0 GJAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)N(C)c2cccc(C)c2)c1C ZINC000064845893 570565683 /nfs/dbraw/zinc/56/56/83/570565683.db2.gz SDWSTQDERRFBHO-UHFFFAOYSA-N 0 0 390.530 4.770 50 0 GJAARN COc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)no1 ZINC000036620393 570565722 /nfs/dbraw/zinc/56/57/22/570565722.db2.gz IOERMMHUFQEXGN-SFHVURJKSA-N 0 0 382.847 4.981 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cccc(C)c3)no2)cc1OC ZINC000036621203 570565763 /nfs/dbraw/zinc/56/57/63/570565763.db2.gz CEDRBZRMDQLPOJ-LJQANCHMSA-N 0 0 392.455 4.645 50 0 GJAARN COc1ccc(-c2cn3c4ccc(C(=O)NC5CCCC5)cc4sc3n2)cc1 ZINC000006748693 570566958 /nfs/dbraw/zinc/56/69/58/570566958.db2.gz FVWNHTFTFBCGEI-UHFFFAOYSA-N 0 0 391.496 4.897 50 0 GJAARN COc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 ZINC000006748007 570567247 /nfs/dbraw/zinc/56/72/47/570567247.db2.gz GGWGYBHXUYROMC-UHFFFAOYSA-N 0 0 399.903 4.992 50 0 GJAARN COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000006749229 570567557 /nfs/dbraw/zinc/56/75/57/570567557.db2.gz DMXMQBYFCNSRRX-UHFFFAOYSA-N 0 0 375.472 4.846 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccc(F)cc3)CC1)N2 ZINC000064858636 570567808 /nfs/dbraw/zinc/56/78/08/570567808.db2.gz MDIHDZPAVCHPRM-UHFFFAOYSA-N 0 0 389.474 4.790 50 0 biogenic GJAARN O=C(CCCc1c[nH]c2ccccc12)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005381713 570569660 /nfs/dbraw/zinc/56/96/60/570569660.db2.gz HTKNTMUQENHSNW-UHFFFAOYSA-N 0 0 379.500 4.819 50 0 GJAARN CNC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCC2 ZINC000004326428 570569989 /nfs/dbraw/zinc/56/99/89/570569989.db2.gz YBYBNONDZVEXPC-UHFFFAOYSA-N 0 0 389.329 4.607 50 0 GJAARN CC1CCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)CC1 ZINC000032983832 570572140 /nfs/dbraw/zinc/57/21/40/570572140.db2.gz FKGBNSYHSFOUJG-MOSHPQCFSA-N 0 0 396.874 4.584 50 0 GJAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1cccc(N(C)C)c1 ZINC000060277312 570573823 /nfs/dbraw/zinc/57/38/23/570573823.db2.gz IVBYPUVCOVUBLC-UHFFFAOYSA-N 0 0 391.949 4.829 50 0 GJAARN CCOCCCNC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC)c2c1 ZINC000032986723 570574104 /nfs/dbraw/zinc/57/41/04/570574104.db2.gz FMODNSJWOSXFBM-UHFFFAOYSA-N 0 0 392.499 4.765 50 0 GJAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000032996331 570578598 /nfs/dbraw/zinc/57/85/98/570578598.db2.gz DYRAYABKWAQYFQ-UHFFFAOYSA-N 0 0 376.338 4.962 50 0 GJAARN COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cc1OC ZINC000011665126 570578805 /nfs/dbraw/zinc/57/88/05/570578805.db2.gz SHAIKGAYXMSDCZ-HXUWFJFHSA-N 0 0 382.504 4.544 50 0 GJAARN CCCCNc1nc(S[C@@H](CC)C(=O)NCc2ccco2)nc2ccccc21 ZINC000034138629 570579237 /nfs/dbraw/zinc/57/92/37/570579237.db2.gz VDVURGLLPGMYGK-SFHVURJKSA-N 0 0 398.532 4.622 50 0 GJAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036246625 570581253 /nfs/dbraw/zinc/58/12/53/570581253.db2.gz YVYDQOGWTDEZBM-MRXNPFEDSA-N 0 0 385.460 4.791 50 0 GJAARN COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011815245 570583886 /nfs/dbraw/zinc/58/38/86/570583886.db2.gz NRPGJXBHZPGLEM-OAHLLOKOSA-N 0 0 396.487 4.869 50 0 GJAARN CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccccc1C(C)C)C(C)C ZINC000006778580 570584718 /nfs/dbraw/zinc/58/47/18/570584718.db2.gz NSSZYKGVYNJTIT-NRFANRHFSA-N 0 0 382.504 4.602 50 0 GJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COCc1nc2ccccc2s1 ZINC000005404717 570587540 /nfs/dbraw/zinc/58/75/40/570587540.db2.gz NWEKFHUKBHGPGB-UHFFFAOYSA-N 0 0 384.501 4.758 50 0 GJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(C2CC2)c1C ZINC000005430326 570592083 /nfs/dbraw/zinc/59/20/83/570592083.db2.gz NVNGNWDSIWGURS-UHFFFAOYSA-N 0 0 394.544 4.617 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000006788316 570593924 /nfs/dbraw/zinc/59/39/24/570593924.db2.gz CRGVCHSFVDEFRC-UHFFFAOYSA-N 0 0 396.903 4.900 50 0 GJAARN Cc1c(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc32)cnn1C ZINC000006789035 570594784 /nfs/dbraw/zinc/59/47/84/570594784.db2.gz KCKOVGUZBIWNRD-UHFFFAOYSA-N 0 0 398.510 4.799 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)N(C)c3ccccc3)s2)c1C ZINC000006790444 570596032 /nfs/dbraw/zinc/59/60/32/570596032.db2.gz PVZDSCDMAILMNN-UHFFFAOYSA-N 0 0 384.530 4.654 50 0 GJAARN CCc1cccc(C)c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000006790299 570596145 /nfs/dbraw/zinc/59/61/45/570596145.db2.gz ITPZIWYPYLRDNR-UHFFFAOYSA-N 0 0 383.451 4.509 50 0 GJAARN CCc1nnc2c(Nc3ccc(N4CCC(C)CC4)cc3)nc3ccccc3n12 ZINC000006793805 570598135 /nfs/dbraw/zinc/59/81/35/570598135.db2.gz NQZVJOFINTXLFN-UHFFFAOYSA-N 0 0 386.503 4.820 50 0 GJAARN COc1ccc2c(C[NH2+]C3CCCC3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000006794644 570598672 /nfs/dbraw/zinc/59/86/72/570598672.db2.gz PJHRGBMRAUGQFS-UHFFFAOYSA-N 0 0 396.462 4.568 50 0 GJAARN CCc1ccc(NC(=O)[C@@H](C)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000006799080 570599302 /nfs/dbraw/zinc/59/93/02/570599302.db2.gz HXCXSDGDPFAAHI-CQSZACIVSA-N 0 0 391.496 4.682 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003240868 570599761 /nfs/dbraw/zinc/59/97/61/570599761.db2.gz WUOHPYSMUAKNDG-UHFFFAOYSA-N 0 0 375.610 4.755 50 0 GJAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000005455055 570600831 /nfs/dbraw/zinc/60/08/31/570600831.db2.gz VQVTVPLYBOPDBM-SJORKVTESA-N 0 0 377.488 4.612 50 0 GJAARN Cc1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C ZINC000003309254 570602452 /nfs/dbraw/zinc/60/24/52/570602452.db2.gz BDJYTPLPZMQKDH-UHFFFAOYSA-N 0 0 385.769 4.771 50 0 GJAARN Cc1ccc(CNc2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)cc1 ZINC000064944823 570603004 /nfs/dbraw/zinc/60/30/04/570603004.db2.gz HBONKZFKYJNBBI-UHFFFAOYSA-N 0 0 398.919 4.781 50 0 GJAARN Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(C)c(C(C)C)cc34)nc2n1 ZINC000003322898 570603165 /nfs/dbraw/zinc/60/31/65/570603165.db2.gz VBYZWCJPFORZNX-UHFFFAOYSA-N 0 0 394.500 4.572 50 0 GJAARN O=C(Oc1cc(Cl)ccc1Cl)c1ccccc1I ZINC000003360084 570604387 /nfs/dbraw/zinc/60/43/87/570604387.db2.gz RDXZZMKIYZAZGV-UHFFFAOYSA-N 0 0 393.007 4.817 50 0 GJAARN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2ccccc2c1 ZINC000003329676 570605341 /nfs/dbraw/zinc/60/53/41/570605341.db2.gz WWEVVUYRMMJNPO-UHFFFAOYSA-N 0 0 383.803 4.895 50 0 GJAARN CCc1cc2c(ncnc2SCC(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000003386152 570606339 /nfs/dbraw/zinc/60/63/39/570606339.db2.gz HKRSFXYYJMMGAI-UHFFFAOYSA-N 0 0 393.921 4.647 50 0 GJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1cccc(Cl)c1 ZINC000006807079 570607451 /nfs/dbraw/zinc/60/74/51/570607451.db2.gz NGWUGKLAYYBMLV-UHFFFAOYSA-N 0 0 390.874 4.555 50 0 GJAARN Cc1cccc(-c2noc(CN(C)C(=O)C(c3ccccc3)c3ccccc3)n2)c1 ZINC000005482911 570611013 /nfs/dbraw/zinc/61/10/13/570611013.db2.gz PDXISXUBTRESBI-UHFFFAOYSA-N 0 0 397.478 4.836 50 0 GJAARN C[C@H](NC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)c1ccco1 ZINC000064956042 570612382 /nfs/dbraw/zinc/61/23/82/570612382.db2.gz XLSRBUNMIRWRHD-AWEZNQCLSA-N 0 0 379.847 4.822 50 0 GJAARN Cc1ccc(CO[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036314752 570613543 /nfs/dbraw/zinc/61/35/43/570613543.db2.gz JGMWVJRKUTVAHP-LJQANCHMSA-N 0 0 377.406 4.835 50 0 GJAARN CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000012137920 570614524 /nfs/dbraw/zinc/61/45/24/570614524.db2.gz BOYQEXSKOWOHRM-GOSISDBHSA-N 0 0 389.879 4.937 50 0 GJAARN CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000006811550 570616152 /nfs/dbraw/zinc/61/61/52/570616152.db2.gz VNDRKKYQMRCRAT-UHFFFAOYSA-N 0 0 388.295 4.514 50 0 GJAARN Cc1c(C(=O)N2CCCC2)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000012150626 570618111 /nfs/dbraw/zinc/61/81/11/570618111.db2.gz FTJBIOTWPAXJSC-KRWDZBQOSA-N 0 0 392.528 4.725 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000033003988 570618310 /nfs/dbraw/zinc/61/83/10/570618310.db2.gz VVVCOSASWZVWMH-UHFFFAOYSA-N 0 0 380.350 4.791 50 0 GJAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N(Cc1ccco1)C1CC1 ZINC000033007629 570620849 /nfs/dbraw/zinc/62/08/49/570620849.db2.gz QCMOLCFPHGCNGN-UHFFFAOYSA-N 0 0 375.472 4.674 50 0 GJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000004591787 570621736 /nfs/dbraw/zinc/62/17/36/570621736.db2.gz RGSJHKZRCLVYAJ-IBGZPJMESA-N 0 0 392.459 4.677 50 0 GJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2)cc1 ZINC000005518314 570621777 /nfs/dbraw/zinc/62/17/77/570621777.db2.gz HTZBEBLETOOMSQ-UHFFFAOYSA-N 0 0 386.451 4.541 50 0 GJAARN Cc1c([C@@H](C)NC(=O)/C=C/c2ccccn2)cnn1-c1cccc2ccccc21 ZINC000012197986 570623647 /nfs/dbraw/zinc/62/36/47/570623647.db2.gz RWCUWTGTPDSLNE-TUQDCPSNSA-N 0 0 382.467 4.620 50 0 GJAARN O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccc(F)cc1 ZINC000033012309 570625738 /nfs/dbraw/zinc/62/57/38/570625738.db2.gz 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CKUKVCJNNGNOKS-UHFFFAOYSA-N 0 0 389.484 4.767 50 0 GJAARN Brc1ccc(CSCCNc2ncnc3sccc32)s1 ZINC000032735921 570788630 /nfs/dbraw/zinc/78/86/30/570788630.db2.gz GHQVMUMECAQGDH-UHFFFAOYSA-N 0 0 386.365 4.861 50 0 GJAARN O=C1c2ccccc2N[C@H](c2cc(Br)cs2)N1Cc1ccco1 ZINC000007112808 570792187 /nfs/dbraw/zinc/79/21/87/570792187.db2.gz UMUIYSADDUJZQO-INIZCTEOSA-N 0 0 389.274 4.870 50 0 GJAARN COc1cc(C(=O)Nc2cc(Cl)cc3cccnc32)ccc1OC(F)F ZINC000032753675 570796509 /nfs/dbraw/zinc/79/65/09/570796509.db2.gz MQSKMMUOVPRDIB-UHFFFAOYSA-N 0 0 378.762 4.751 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000024392926 570796795 /nfs/dbraw/zinc/79/67/95/570796795.db2.gz UAEDVEXBBNEAPB-JOCHJYFZSA-N 0 0 392.499 4.801 50 0 GJAARN CCc1cccc2c(C3=CCN(C(=O)c4cc5ccccc5oc4=O)CC3)c[nH]c21 ZINC000032754298 570796911 /nfs/dbraw/zinc/79/69/11/570796911.db2.gz ZLTOZJAZCLEPHS-UHFFFAOYSA-N 0 0 398.462 4.766 50 0 GJAARN Cc1cc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1Oc1cccnc1 ZINC000063165068 570797358 /nfs/dbraw/zinc/79/73/58/570797358.db2.gz RTUKAECVSQQWAB-AWEZNQCLSA-N 0 0 379.382 4.989 50 0 GJAARN Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3cc(Cl)ccc3F)n2)c1 ZINC000065320416 570797596 /nfs/dbraw/zinc/79/75/96/570797596.db2.gz GJLRZNCJSVSDDN-KRWDZBQOSA-N 0 0 385.826 4.815 50 0 GJAARN CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 ZINC000005857367 570797788 /nfs/dbraw/zinc/79/77/88/570797788.db2.gz BBXQNRXTOFAKPF-UHFFFAOYSA-N 0 0 394.544 4.535 50 0 GJAARN CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000024395984 570798733 /nfs/dbraw/zinc/79/87/33/570798733.db2.gz RGLXMBCALSQEOD-BUHFOSPRSA-N 0 0 399.494 4.912 50 0 GJAARN CCn1c(-c2ccccc2)cnc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000007126914 570798897 /nfs/dbraw/zinc/79/88/97/570798897.db2.gz VIKOIAGPQMLKKD-CYBMUJFWSA-N 0 0 386.908 4.738 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1CCc1ccccc1 ZINC000007128351 570799766 /nfs/dbraw/zinc/79/97/66/570799766.db2.gz HTEWLNBPKHHLNN-XMMPIXPASA-N 0 0 394.478 4.682 50 0 GJAARN O=C(CSc1ccccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 ZINC000007129180 570800198 /nfs/dbraw/zinc/80/01/98/570800198.db2.gz DQDBBAATYUGZAK-UHFFFAOYSA-N 0 0 386.904 4.980 50 0 GJAARN O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)c(Cl)c1 ZINC000170075518 570801283 /nfs/dbraw/zinc/80/12/83/570801283.db2.gz IVJBLUKKJSQIQU-UHFFFAOYSA-N 0 0 388.659 4.963 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)c1 ZINC000004649349 570801889 /nfs/dbraw/zinc/80/18/89/570801889.db2.gz GENKOUIHXWCEKN-UHFFFAOYSA-N 0 0 388.496 4.675 50 0 GJAARN CCOc1ccc(-c2nc(Cn3cnc4sc(CC)cc4c3=O)cs2)cc1 ZINC000032765102 570802026 /nfs/dbraw/zinc/80/20/26/570802026.db2.gz MUYUUWCEDQRWHP-UHFFFAOYSA-N 0 0 397.525 4.591 50 0 GJAARN CC[C@@H](C)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000005908155 570803130 /nfs/dbraw/zinc/80/31/30/570803130.db2.gz JFIBDCNTUWDVRS-CYBMUJFWSA-N 0 0 387.439 4.640 50 0 biogenic GJAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 ZINC000005916381 570803665 /nfs/dbraw/zinc/80/36/65/570803665.db2.gz HGNGMNVJWNTKOU-UHFFFAOYSA-N 0 0 385.514 4.684 50 0 GJAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)Nc1cccc(F)c1 ZINC000033072525 570804207 /nfs/dbraw/zinc/80/42/07/570804207.db2.gz QLEOLAHOOAAOHX-UHFFFAOYSA-N 0 0 388.446 4.580 50 0 GJAARN CN(Cc1cccs1)C(=O)CSc1nc(-c2ccc(F)cc2)cs1 ZINC000005938877 570806065 /nfs/dbraw/zinc/80/60/65/570806065.db2.gz BFBHNLAOZKXTSO-UHFFFAOYSA-N 0 0 378.519 4.761 50 0 GJAARN O=C(N1CCS[C@H](c2cccs2)CC1)C1(c2ccccc2)CCOCC1 ZINC000219502962 570806227 /nfs/dbraw/zinc/80/62/27/570806227.db2.gz YATWJSPVQQWUKZ-IBGZPJMESA-N 0 0 387.570 4.503 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C)cc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084389 570807186 /nfs/dbraw/zinc/80/71/86/570807186.db2.gz QLDOCIROSXMXSZ-UHFFFAOYSA-N 0 0 380.517 4.859 50 0 GJAARN Cc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 ZINC000007178029 570810629 /nfs/dbraw/zinc/81/06/29/570810629.db2.gz CYCDNNYJXAEBGZ-CQSZACIVSA-N 0 0 387.455 4.887 50 0 GJAARN CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C1CC1 ZINC000032789050 570810838 /nfs/dbraw/zinc/81/08/38/570810838.db2.gz VLKUCJBSGJFJKJ-UHFFFAOYSA-N 0 0 385.320 4.603 50 0 GJAARN C[C@H]1Cc2ccccc2N1C(=O)CSCc1nc(-c2ccccc2Cl)no1 ZINC000032779114 570812111 /nfs/dbraw/zinc/81/21/11/570812111.db2.gz RXEZPNYOPDMUEZ-ZDUSSCGKSA-N 0 0 399.903 4.601 50 0 GJAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)c2c[nH]c3ccccc32)n[nH]1 ZINC000006009404 570813829 /nfs/dbraw/zinc/81/38/29/570813829.db2.gz IAVXLISVFWTEKF-UHFFFAOYSA-N 0 0 398.875 4.590 50 0 GJAARN COc1ccc(CSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)cc1F ZINC000006009407 570813923 /nfs/dbraw/zinc/81/39/23/570813923.db2.gz GUKHAGNEOALIIY-UHFFFAOYSA-N 0 0 379.844 4.574 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000036811154 570816322 /nfs/dbraw/zinc/81/63/22/570816322.db2.gz WUCPKFYZMRYNLJ-UHFFFAOYSA-N 0 0 389.329 4.989 50 0 GJAARN COc1cc(OC)c(NC(=O)c2occc2COc2ccccc2)cc1Cl ZINC000014051515 570817193 /nfs/dbraw/zinc/81/71/93/570817193.db2.gz IVQCHPRDYVIHHX-UHFFFAOYSA-N 0 0 387.819 4.782 50 0 GJAARN Cc1ccc(-n2cnnc2SCc2nc3ccccc3nc2C)cc1Cl ZINC000036855782 570820269 /nfs/dbraw/zinc/82/02/69/570820269.db2.gz ZWWRDMSBYUOCHP-UHFFFAOYSA-N 0 0 381.892 4.773 50 0 GJAARN COc1ccccc1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000007252176 570820731 /nfs/dbraw/zinc/82/07/31/570820731.db2.gz LBIUBERCJADNLV-UHFFFAOYSA-N 0 0 376.279 4.535 50 0 GJAARN Cc1nc2cc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)ccc2o1 ZINC000032804884 570822196 /nfs/dbraw/zinc/82/21/96/570822196.db2.gz UAYXMLONIJNJKA-UHFFFAOYSA-N 0 0 377.444 4.907 50 0 GJAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc2cccnc21 ZINC000014095740 570822232 /nfs/dbraw/zinc/82/22/32/570822232.db2.gz KGFRIGDMHYEJBV-UHFFFAOYSA-N 0 0 384.464 4.792 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C ZINC000032808962 570823082 /nfs/dbraw/zinc/82/30/82/570823082.db2.gz AVYWNVJNFWEMIG-OAHLLOKOSA-N 0 0 396.487 4.949 50 0 GJAARN O=c1nc(CNc2ccc3c(c2)CCC3)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000007286102 570824688 /nfs/dbraw/zinc/82/46/88/570824688.db2.gz BGUFCRFCGQDHPN-UHFFFAOYSA-N 0 0 391.471 4.892 50 0 GJAARN Cc1ccc(-c2nc(N[C@H](C)c3ccncn3)ncc2-c2ccc(O)cc2)cc1 ZINC000065493883 570825883 /nfs/dbraw/zinc/82/58/83/570825883.db2.gz VSCGOLDLNXTAON-MRXNPFEDSA-N 0 0 383.455 4.788 50 0 GJAARN COC(=O)c1c(C)[nH]c(-c2ccccc2)c1[C@H]1C(=O)Nc2c1cccc2Cl ZINC000101634088 570827726 /nfs/dbraw/zinc/82/77/26/570827726.db2.gz OXKBSVQMEQWGBG-INIZCTEOSA-N 0 0 380.831 4.514 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000033141872 570827797 /nfs/dbraw/zinc/82/77/97/570827797.db2.gz YSXHAPGJDPXZKW-KRWDZBQOSA-N 0 0 397.478 4.826 50 0 GJAARN O=C1[C@H](c2ccccc2)[C@H](c2ccco2)N[C@@H](c2ccco2)[C@H]1c1ccccc1 ZINC000239331275 570827882 /nfs/dbraw/zinc/82/78/82/570827882.db2.gz KKIVHHRFFPSOGI-LWSSLDFYSA-N 0 0 383.447 5.395 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccccc1OCc1cn2ccccc2n1 ZINC000007319000 570829223 /nfs/dbraw/zinc/82/92/23/570829223.db2.gz BJGDLDCJEJMCBS-UHFFFAOYSA-N 0 0 383.451 4.654 50 0 GJAARN CC(C)[C@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000101718389 570829640 /nfs/dbraw/zinc/82/96/40/570829640.db2.gz AVEUTLSOFMFGRF-HNNXBMFYSA-N 0 0 394.313 4.749 50 0 GJAARN Cc1ccc(C)n1C1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000065543102 570832893 /nfs/dbraw/zinc/83/28/93/570832893.db2.gz GKCBIQYIGWNQIA-UHFFFAOYSA-N 0 0 382.895 4.626 50 0 GJAARN CN(Cc1nc2ccccc2s1)C(=O)CSC1=Nc2ccccc2CS1 ZINC000014232221 570834080 /nfs/dbraw/zinc/83/40/80/570834080.db2.gz OAHVBRRMRZSGOK-UHFFFAOYSA-N 0 0 399.566 4.922 50 0 GJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000004689071 570834753 /nfs/dbraw/zinc/83/47/53/570834753.db2.gz SPHXCWFQZAHBAF-UHFFFAOYSA-N 0 0 383.300 4.827 50 0 GJAARN CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000101797215 570834812 /nfs/dbraw/zinc/83/48/12/570834812.db2.gz GVSJEPPYNGVYLX-GOSISDBHSA-N 0 0 393.878 4.582 50 0 GJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)c(F)c3)c2c1 ZINC000033172500 570837134 /nfs/dbraw/zinc/83/71/34/570837134.db2.gz KOWYZPBLBQQJGP-UHFFFAOYSA-N 0 0 380.448 4.598 50 0 GJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)s1 ZINC000033173990 570837325 /nfs/dbraw/zinc/83/73/25/570837325.db2.gz HFTNQPIVKIOZIE-ZDUSSCGKSA-N 0 0 387.455 4.738 50 0 GJAARN C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](c2ccccc2)O1 ZINC000065591441 570837420 /nfs/dbraw/zinc/83/74/20/570837420.db2.gz AZGHNCPCNIGPJW-CXAGYDPISA-N 0 0 386.904 4.999 50 0 GJAARN COc1ccc(Br)cc1CSc1nnc(Cc2ccccc2)o1 ZINC000014253471 570838803 /nfs/dbraw/zinc/83/88/03/570838803.db2.gz QGFMTOGDKIZIEN-UHFFFAOYSA-N 0 0 391.290 4.724 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1c(C)cccc1C)C(=O)[C@@H]1CCCC1=N2 ZINC000101946588 570839121 /nfs/dbraw/zinc/83/91/21/570839121.db2.gz BQMVCBJOJHWXKG-GOSISDBHSA-N 0 0 389.499 4.778 50 0 GJAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C3CCC[C@@H]3C2=O)c1Cl ZINC000101946993 570839159 /nfs/dbraw/zinc/83/91/59/570839159.db2.gz FGFDTAJOKSLBBF-AWEZNQCLSA-N 0 0 381.863 4.506 50 0 GJAARN Cc1cc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc2c(C)c1 ZINC000007424750 570841638 /nfs/dbraw/zinc/84/16/38/570841638.db2.gz IQBXMDCMCLTTHR-UHFFFAOYSA-N 0 0 396.541 4.908 50 0 GJAARN Cn1c2ccccc2c2cc([C@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)ccc21 ZINC000004698104 570841692 /nfs/dbraw/zinc/84/16/92/570841692.db2.gz YJGCVRRNFIOBIP-QGZVFWFLSA-N 0 0 395.414 4.879 50 0 GJAARN CCCN(CC1CC1)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S ZINC000012543632 570843991 /nfs/dbraw/zinc/84/39/91/570843991.db2.gz UZKURPVRVMFGPD-UHFFFAOYSA-N 0 0 397.523 4.684 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)Cn1c2ccccc2sc1=S ZINC000012544205 570844405 /nfs/dbraw/zinc/84/44/05/570844405.db2.gz RVXGGLWHZUGYHH-UHFFFAOYSA-N 0 0 380.542 4.767 50 0 GJAARN COc1ccc(NC(=O)Cc2ccccc2Cl)cc1OCc1ccncc1 ZINC000032832288 570845157 /nfs/dbraw/zinc/84/51/57/570845157.db2.gz SFBHUAZILMLLNY-UHFFFAOYSA-N 0 0 382.847 4.504 50 0 GJAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)N1CCCc2ccccc21 ZINC000032838746 570846722 /nfs/dbraw/zinc/84/67/22/570846722.db2.gz TVKIEZLTHWMXRT-UHFFFAOYSA-N 0 0 387.435 4.615 50 0 GJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1Cl ZINC000003275268 570847999 /nfs/dbraw/zinc/84/79/99/570847999.db2.gz SFVTYSLJDJKTAD-UHFFFAOYSA-N 0 0 393.826 4.760 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3nc4ccccc4[nH]3)cs2)c(C)c1 ZINC000012547790 570849289 /nfs/dbraw/zinc/84/92/89/570849289.db2.gz KYWCWBDBGNLKAI-OAHLLOKOSA-N 0 0 390.512 4.723 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cs2)c(C)c1 ZINC000012547791 570849321 /nfs/dbraw/zinc/84/93/21/570849321.db2.gz KYWCWBDBGNLKAI-HNNXBMFYSA-N 0 0 390.512 4.723 50 0 GJAARN C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012548086 570849794 /nfs/dbraw/zinc/84/97/94/570849794.db2.gz CZFONVDTAFIPCU-IBGZPJMESA-N 0 0 397.478 4.796 50 0 GJAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000102514670 570851313 /nfs/dbraw/zinc/85/13/13/570851313.db2.gz ZREUTFRQWGQGFH-MCIONIFRSA-N 0 0 390.578 4.612 50 0 GJAARN O=C(Nc1cnc2ccccc2c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000170592816 570851407 /nfs/dbraw/zinc/85/14/07/570851407.db2.gz KGSDFAMMCXITDI-UHFFFAOYSA-N 0 0 382.345 4.692 50 0 GJAARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3ccccn3)C12 ZINC000102566925 570852229 /nfs/dbraw/zinc/85/22/29/570852229.db2.gz ICEOESNMHYFSQK-LJQANCHMSA-N 0 0 389.484 4.637 50 0 GJAARN O=C(CCNC(=O)c1ccccc1Cl)Oc1ccc2oc3ccccc3c2c1 ZINC000003293749 570852720 /nfs/dbraw/zinc/85/27/20/570852720.db2.gz IDMHAONUOSNREY-UHFFFAOYSA-N 0 0 393.826 4.965 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@H](C)SCc1cc2c(c(Cl)c1)OCO2 ZINC000032854196 570854856 /nfs/dbraw/zinc/85/48/56/570854856.db2.gz AOFQBQVCWLHIPS-LBPRGKRZSA-N 0 0 393.892 4.646 50 0 GJAARN Cc1ccc(NC(=O)Cc2nc(CN3CCCc4cc(C)ccc43)cs2)cc1 ZINC000007494298 570855219 /nfs/dbraw/zinc/85/52/19/570855219.db2.gz YBQVIAJBDPMGHK-UHFFFAOYSA-N 0 0 391.540 4.894 50 0 GJAARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3cccnc3)C12 ZINC000102661477 570856014 /nfs/dbraw/zinc/85/60/14/570856014.db2.gz KNEWPSCQFXVPMY-LJQANCHMSA-N 0 0 389.484 4.637 50 0 GJAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCCC2)c1 ZINC000004715931 570856234 /nfs/dbraw/zinc/85/62/34/570856234.db2.gz YHNXHSJNSRICNX-FQEVSTJZSA-N 0 0 378.472 4.908 50 0 GJAARN Cc1ccccc1Nc1nc(N)nc(CN[C@H](C)c2cccc3ccccc32)n1 ZINC000012552766 570856731 /nfs/dbraw/zinc/85/67/31/570856731.db2.gz FFHFFAMXLHKBFU-MRXNPFEDSA-N 0 0 384.487 4.510 50 0 GJAARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2 ZINC000102703609 570857350 /nfs/dbraw/zinc/85/73/50/570857350.db2.gz IZLCXQURFXKYCG-LHSJRXKWSA-N 0 0 392.409 4.930 50 0 GJAARN CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012554500 570857528 /nfs/dbraw/zinc/85/75/28/570857528.db2.gz PWXFHFXIUTXFTJ-GOSISDBHSA-N 0 0 381.520 4.533 50 0 GJAARN CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000170599577 570857754 /nfs/dbraw/zinc/85/77/54/570857754.db2.gz STHRWXTXQHQYEQ-WBMJQRKESA-N 0 0 376.909 4.914 50 0 GJAARN Cc1cccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cc(F)cc(F)c3)C2)c1 ZINC000102711847 570859815 /nfs/dbraw/zinc/85/98/15/570859815.db2.gz ZVBHQDYEAMGLJX-QKKBWIMNSA-N 0 0 392.409 4.930 50 0 GJAARN COc1ccc(C2=C(c3nc4ccccc4[nH]3)CC(c3ccccc3)=NN2)cc1 ZINC000102732411 570859956 /nfs/dbraw/zinc/85/99/56/570859956.db2.gz JODKZRHVMCSNDH-UHFFFAOYSA-N 0 0 380.451 4.837 50 0 GJAARN C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCc2ccccc21 ZINC000007503673 570860258 /nfs/dbraw/zinc/86/02/58/570860258.db2.gz SKVKZRVVSAULLA-GFCCVEGCSA-N 0 0 379.510 4.837 50 0 GJAARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000102717982 570860301 /nfs/dbraw/zinc/86/03/01/570860301.db2.gz PNTDIVCPTMVFSF-SFHVURJKSA-N 0 0 398.459 4.859 50 0 GJAARN Fc1ccccc1N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000003352007 570860605 /nfs/dbraw/zinc/86/06/05/570860605.db2.gz HYHJXIMSPXTCGI-UHFFFAOYSA-N 0 0 390.487 4.824 50 0 GJAARN O=C(Cc1coc2ccc3ccccc3c12)NCc1cnn(-c2ccccc2)c1 ZINC000014810126 570860991 /nfs/dbraw/zinc/86/09/91/570860991.db2.gz RMUWPFMRIYUVCH-UHFFFAOYSA-N 0 0 381.435 4.631 50 0 GJAARN Cc1cc(C(=O)NC[C@H](C)c2ccccc2)c2cc(Br)ccc2n1 ZINC000033252815 570861521 /nfs/dbraw/zinc/86/15/21/570861521.db2.gz DNVAQRCKBRFKEJ-ZDUSSCGKSA-N 0 0 383.289 4.839 50 0 GJAARN O=C(NCc1ccccc1)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261312 570865394 /nfs/dbraw/zinc/86/53/94/570865394.db2.gz WOKQIYYEXJOZOC-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C[C@@H]1CCCO1 ZINC000012561363 570865665 /nfs/dbraw/zinc/86/56/65/570865665.db2.gz CUNBTPZMVIMVTF-SGTLLEGYSA-N 0 0 377.271 4.739 50 0 GJAARN O=C(NC1CCCC1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261056 570866578 /nfs/dbraw/zinc/86/65/78/570866578.db2.gz FGQCXUNCMYFXRN-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1C[C@@H]1CCCO1 ZINC000012563066 570867507 /nfs/dbraw/zinc/86/75/07/570867507.db2.gz AHIFVVXUCUNGAP-KPZWWZAWSA-N 0 0 377.271 4.739 50 0 GJAARN O=C(c1ccc2oc(-c3cccc(F)c3)nc2c1)N1CCOc2ccccc2C1 ZINC000014976315 570868465 /nfs/dbraw/zinc/86/84/65/570868465.db2.gz SZCFDROFCWACDX-UHFFFAOYSA-N 0 0 388.398 4.669 50 0 GJAARN CCOc1ccccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000003452217 570870209 /nfs/dbraw/zinc/87/02/09/570870209.db2.gz NRQXCARLJPAORH-UHFFFAOYSA-N 0 0 389.860 4.749 50 0 GJAARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1OCC ZINC000003452895 570870272 /nfs/dbraw/zinc/87/02/72/570870272.db2.gz ZNEMFEJNLWEMKN-CYBMUJFWSA-N 0 0 381.394 4.994 50 0 GJAARN Cn1c(C(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)cc2ccccc21 ZINC000014989479 570870289 /nfs/dbraw/zinc/87/02/89/570870289.db2.gz VDZRVMZHLHYXKI-LJQANCHMSA-N 0 0 384.483 4.588 50 0 GJAARN Cc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000014995109 570870452 /nfs/dbraw/zinc/87/04/52/570870452.db2.gz LKRGMXNAZRKRIZ-KRWDZBQOSA-N 0 0 394.544 4.970 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC2)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000012567901 570871590 /nfs/dbraw/zinc/87/15/90/570871590.db2.gz ZIZVPKWRWATQHK-UHFFFAOYSA-N 0 0 394.478 4.734 50 0 GJAARN CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cn(C2CCCCC2)nn1 ZINC000015064708 570875219 /nfs/dbraw/zinc/87/52/19/570875219.db2.gz PRCCXVZCMHLVFZ-JOCHJYFZSA-N 0 0 391.519 4.660 50 0 GJAARN C[C@@H](SCc1ccc(Cl)cc1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012576800 570875887 /nfs/dbraw/zinc/87/58/87/570875887.db2.gz OURYRBWVTLHAOE-CYBMUJFWSA-N 0 0 388.920 4.726 50 0 GJAARN Cc1cc(N2CCSCC2)ccc1N[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000051186814 570875961 /nfs/dbraw/zinc/87/59/61/570875961.db2.gz BPULWOBWDGQDIJ-MRXNPFEDSA-N 0 0 379.529 4.713 50 0 GJAARN COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000170618958 570876436 /nfs/dbraw/zinc/87/64/36/570876436.db2.gz PHKVIRMTMAZKOL-AVRDEDQJSA-N 0 0 378.403 4.978 50 0 GJAARN CCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)c(C)n1 ZINC000003634541 570879649 /nfs/dbraw/zinc/87/96/49/570879649.db2.gz AHTLNDTXVQQJKD-UHFFFAOYSA-N 0 0 398.510 4.973 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Cl)c1 ZINC000170622969 570880592 /nfs/dbraw/zinc/88/05/92/570880592.db2.gz CBLDLHACPMWXPU-UHFFFAOYSA-N 0 0 397.740 4.670 50 0 GJAARN CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccccc3Cn3cncn3)ccc21 ZINC000170625483 570882617 /nfs/dbraw/zinc/88/26/17/570882617.db2.gz WCOUAKGWRYOJNI-UHFFFAOYSA-N 0 0 388.515 4.928 50 0 GJAARN Cc1ccc(-c2csc3ncn(Cc4ccc5c(c4)OCO5)c(=O)c23)cc1C ZINC000012587329 570882657 /nfs/dbraw/zinc/88/26/57/570882657.db2.gz YCUUBVAFDOIXIR-UHFFFAOYSA-N 0 0 390.464 4.519 50 0 GJAARN COc1nc(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)cc2ccccc21 ZINC000170626954 570884275 /nfs/dbraw/zinc/88/42/75/570884275.db2.gz IXJGCHDWXIFUBG-LLVKDONJSA-N 0 0 381.819 4.691 50 0 GJAARN COc1ccccc1[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1nccn1C ZINC000012601173 570886680 /nfs/dbraw/zinc/88/66/80/570886680.db2.gz CDFCXGUOMPVHFW-OAHLLOKOSA-N 0 0 396.800 4.697 50 0 GJAARN CCc1ccc(-c2noc(CCC(=O)N(C)Cc3cccc(Cl)c3)n2)cc1 ZINC000032895532 570887070 /nfs/dbraw/zinc/88/70/70/570887070.db2.gz FWSFRMKTWGEZPE-UHFFFAOYSA-N 0 0 383.879 4.544 50 0 GJAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1I ZINC000001230012 570888326 /nfs/dbraw/zinc/88/83/26/570888326.db2.gz JMGQTVNPNXKDJT-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2ccccc2)CC1 ZINC000012606611 570889153 /nfs/dbraw/zinc/88/91/53/570889153.db2.gz OKUICKMYQOVSMT-UHFFFAOYSA-N 0 0 389.480 4.519 50 0 GJAARN Cn1cc([C@H](CNC(=O)Nc2cccc(F)c2)c2cccnc2)c2ccccc21 ZINC000033267890 570889631 /nfs/dbraw/zinc/88/96/31/570889631.db2.gz TXCLIRLLHRIOAW-HXUWFJFHSA-N 0 0 388.446 4.666 50 0 GJAARN Cc1cccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033267872 570889655 /nfs/dbraw/zinc/88/96/55/570889655.db2.gz OSPAROWWWDTTTC-OAQYLSRUSA-N 0 0 384.483 4.835 50 0 GJAARN COc1ccccc1-c1noc(CSc2ccc(-c3ccccc3F)nn2)n1 ZINC000033267988 570889661 /nfs/dbraw/zinc/88/96/61/570889661.db2.gz JPXLWAWOPBKJOY-UHFFFAOYSA-N 0 0 394.431 4.634 50 0 GJAARN COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccccc4)c23)cc1 ZINC000012614194 570891056 /nfs/dbraw/zinc/89/10/56/570891056.db2.gz VPJRXBRLYAABQK-GOSISDBHSA-N 0 0 377.469 4.512 50 0 GJAARN CN(CC(=O)Nc1cccc(F)c1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000015346222 570892056 /nfs/dbraw/zinc/89/20/56/570892056.db2.gz OJHRRYRVHPQTFT-UHFFFAOYSA-N 0 0 392.459 4.572 50 0 GJAARN COc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccccc3)sc2c1 ZINC000010254280 570893504 /nfs/dbraw/zinc/89/35/04/570893504.db2.gz YOKNMFSRCDOKDJ-UHFFFAOYSA-N 0 0 375.453 4.547 50 0 GJAARN CC(C)(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000023043425 570893693 /nfs/dbraw/zinc/89/36/93/570893693.db2.gz VBNIIXMPXVQBJD-UHFFFAOYSA-N 0 0 388.393 4.836 50 0 GJAARN Cc1noc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3C)c(C)s2)c1C ZINC000096323539 570896414 /nfs/dbraw/zinc/89/64/14/570896414.db2.gz BDPCUJWULFPRDK-UHFFFAOYSA-N 0 0 376.503 4.746 50 0 GJAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(Cl)c1O ZINC000004571675 570899127 /nfs/dbraw/zinc/89/91/27/570899127.db2.gz CVPDIKIIJDGDON-PWJLMRLQSA-N 0 0 378.881 4.669 50 0 GJAARN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OC(C)(C)C)cc1 ZINC000097143461 570899178 /nfs/dbraw/zinc/89/91/78/570899178.db2.gz LUBZERGYXDEYDJ-JTSKRJEESA-N 0 0 396.531 4.832 50 0 GJAARN O=C(NCCCOCc1ccccc1)c1ccc(SCc2cscn2)cc1 ZINC000032902094 570899515 /nfs/dbraw/zinc/89/95/15/570899515.db2.gz BSOKETLTJYKXCC-UHFFFAOYSA-N 0 0 398.553 4.772 50 0 GJAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)c1 ZINC000015729457 570903133 /nfs/dbraw/zinc/90/31/33/570903133.db2.gz GWYIJRZOGOBFGW-UHFFFAOYSA-N 0 0 386.407 4.628 50 0 GJAARN CC(C)COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000015832053 570906023 /nfs/dbraw/zinc/90/60/23/570906023.db2.gz PKFWATKMQRBGPH-UHFFFAOYSA-N 0 0 378.472 4.882 50 0 GJAARN CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N(CC)CC)cc1 ZINC000023109705 570906943 /nfs/dbraw/zinc/90/69/43/570906943.db2.gz WQGIWSNXLXEOPZ-UHFFFAOYSA-N 0 0 382.529 4.785 50 0 GJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)n[nH]2)c1 ZINC000051315605 570907055 /nfs/dbraw/zinc/90/70/55/570907055.db2.gz YUPMDMVMGABNGA-UHFFFAOYSA-N 0 0 399.450 4.917 50 0 GJAARN Cc1ccc(C)c(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 ZINC000015860778 570907214 /nfs/dbraw/zinc/90/72/14/570907214.db2.gz DSBPFZFPTYHPCD-NRFANRHFSA-N 0 0 386.495 4.684 50 0 GJAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000016705500 570907385 /nfs/dbraw/zinc/90/73/85/570907385.db2.gz LTDKIGOMEHDLGI-UHFFFAOYSA-N 0 0 375.350 4.717 50 0 GJAARN Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)c1 ZINC000007570794 570911157 /nfs/dbraw/zinc/91/11/57/570911157.db2.gz QXPFBEUXAKNZHZ-PZJWPPBQSA-N 0 0 377.831 4.683 50 0 GJAARN COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(C(C)C)cc3)c(C)c2c1 ZINC000032910486 570911960 /nfs/dbraw/zinc/91/19/60/570911960.db2.gz WGMYWXXGMXNZJF-UHFFFAOYSA-N 0 0 381.428 4.669 50 0 GJAARN O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1Cl ZINC000007573211 570912522 /nfs/dbraw/zinc/91/25/22/570912522.db2.gz NTNGHXLIIIFREK-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN COc1ccc(-c2cn3c(CCC(=O)NCC4CCCCC4)csc3n2)cc1 ZINC000016848856 570914318 /nfs/dbraw/zinc/91/43/18/570914318.db2.gz IJUCJEPPRAQPPG-UHFFFAOYSA-N 0 0 397.544 4.701 50 0 GJAARN CNc1ccc(-c2cccc(C(=O)N(Cc3ccsc3)CC(C)C)c2)cn1 ZINC000534660565 570915620 /nfs/dbraw/zinc/91/56/20/570915620.db2.gz JSJGXCUVFVCKOZ-UHFFFAOYSA-N 0 0 379.529 4.572 50 0 GJAARN O=C(Nc1ccccc1CO)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000089814004 570915748 /nfs/dbraw/zinc/91/57/48/570915748.db2.gz MNNXDGOYYAQMCR-UHFFFAOYSA-N 0 0 395.890 4.539 50 0 GJAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263585884 570918197 /nfs/dbraw/zinc/91/81/97/570918197.db2.gz NNUXRYYFELGESV-SFHVURJKSA-N 0 0 396.446 4.892 50 0 biogenic GJAARN Cc1cccc(C(=O)N(CCn2cccn2)c2nc3c(cccc3Cl)s2)c1 ZINC000023144776 570919337 /nfs/dbraw/zinc/91/93/37/570919337.db2.gz AYFTWDVZTPITTL-UHFFFAOYSA-N 0 0 396.903 4.802 50 0 GJAARN O=C(CSCc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000010611877 570922365 /nfs/dbraw/zinc/92/23/65/570922365.db2.gz ZLZBKRDOAYMYEJ-QGZVFWFLSA-N 0 0 398.553 4.742 50 0 GJAARN Cc1cc(-c2c(-c3ccc4ccccc4c3)[nH]c3[nH]c(=O)[nH]c(=O)c32)c(C)s1 ZINC000085746333 570923788 /nfs/dbraw/zinc/92/37/88/570923788.db2.gz JQKUCQBLQSGJBZ-UHFFFAOYSA-N 0 0 387.464 4.710 50 0 GJAARN COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1N1CCCC1=O ZINC000170633809 570927511 /nfs/dbraw/zinc/92/75/11/570927511.db2.gz PIOSIDQSDGCFKO-KRWDZBQOSA-N 0 0 397.475 4.564 50 0 GJAARN CCCCSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1 ZINC000004062233 570927718 /nfs/dbraw/zinc/92/77/18/570927718.db2.gz GUCBDNZFYSGDFA-UHFFFAOYSA-N 0 0 396.541 4.584 50 0 GJAARN CCCOc1ccc(-c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 ZINC000004070254 570928564 /nfs/dbraw/zinc/92/85/64/570928564.db2.gz BSFPCAPZAPTDCN-UHFFFAOYSA-N 0 0 398.484 4.868 50 0 GJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000023174384 570928657 /nfs/dbraw/zinc/92/86/57/570928657.db2.gz OFWMSHGUGLJOKN-HNNXBMFYSA-N 0 0 391.471 4.684 50 0 GJAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cccs1 ZINC000004071250 570929003 /nfs/dbraw/zinc/92/90/03/570929003.db2.gz WRUIRQJMOJKAAW-UHFFFAOYSA-N 0 0 386.270 4.994 50 0 GJAARN CC(=O)c1ccc(OC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000004071679 570929168 /nfs/dbraw/zinc/92/91/68/570929168.db2.gz XROLZADPXJVMSO-UHFFFAOYSA-N 0 0 376.408 4.974 50 0 GJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl ZINC000016751744 570932565 /nfs/dbraw/zinc/93/25/65/570932565.db2.gz NSGPJLBKKRUUII-UHFFFAOYSA-N 0 0 381.259 4.993 50 0 GJAARN COc1ccc([C@H]2CCCN2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)cc1 ZINC000012637563 570932585 /nfs/dbraw/zinc/93/25/85/570932585.db2.gz SHUKZKXWCQEYGW-OAQYLSRUSA-N 0 0 394.544 4.823 50 0 GJAARN Clc1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000016756270 570933069 /nfs/dbraw/zinc/93/30/69/570933069.db2.gz PWJGQTNGKOSHED-UHFFFAOYSA-N 0 0 382.876 4.927 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000016779196 570933635 /nfs/dbraw/zinc/93/36/35/570933635.db2.gz ZDZWGFWNUUXFQD-ZWKOTPCHSA-N 0 0 390.936 4.505 50 0 GJAARN COc1ccc(C=C2CCC[C@@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000105992454 570934206 /nfs/dbraw/zinc/93/42/06/570934206.db2.gz GOZPBMCCEGQPIM-GLCPOAHVSA-N 0 0 392.524 4.958 50 0 GJAARN CC(C)CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000016903827 570934734 /nfs/dbraw/zinc/93/47/34/570934734.db2.gz PVXXMUDBFLOAAX-GOSISDBHSA-N 0 0 379.479 4.738 50 0 GJAARN Cc1ccc(NC(=O)NCCn2c3ncccc3nc2-c2ccccc2)c(C)c1 ZINC000046913689 570936017 /nfs/dbraw/zinc/93/60/17/570936017.db2.gz SQMPFAJKNVCIKD-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN Cc1cc(C)cc(NC(=O)NCCn2c3ncccc3nc2-c2ccccc2)c1 ZINC000046913599 570936088 /nfs/dbraw/zinc/93/60/88/570936088.db2.gz SMVFTNKXYZDVSN-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN O=C(CCc1nc2ccccc2[nH]1)NCCC(c1ccccc1)c1ccccc1 ZINC000016970370 570936127 /nfs/dbraw/zinc/93/61/27/570936127.db2.gz WPCZTJZRVCWNEI-UHFFFAOYSA-N 0 0 383.495 4.834 50 0 GJAARN O=C(Nc1cccc(-c2noc(CCc3ccccc3)n2)c1)c1cccs1 ZINC000006697646 570938887 /nfs/dbraw/zinc/93/88/87/570938887.db2.gz RHMGNYXCKQMZAJ-UHFFFAOYSA-N 0 0 375.453 4.836 50 0 GJAARN CCO[C@@H]1C[C@@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 ZINC000170638759 570939492 /nfs/dbraw/zinc/93/94/92/570939492.db2.gz QWOLFGKVXQVPTO-ZIAGYGMSSA-N 0 0 398.450 4.701 50 0 GJAARN O=C(NCc1ccnc(OCc2ccccc2)c1)c1cccc(Cl)c1Cl ZINC000032930388 570943547 /nfs/dbraw/zinc/94/35/47/570943547.db2.gz SPLPLBHYNRRYFB-UHFFFAOYSA-N 0 0 387.266 4.897 50 0 GJAARN O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ccc(F)cc1 ZINC000005444736 570947468 /nfs/dbraw/zinc/94/74/68/570947468.db2.gz RIDVIHGKFBCTTR-LDADJPATSA-N 0 0 399.418 4.749 50 0 GJAARN COc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc21 ZINC000012660355 570947651 /nfs/dbraw/zinc/94/76/51/570947651.db2.gz LDTPXCCCYNCQRB-UHFFFAOYSA-N 0 0 391.254 4.876 50 0 GJAARN CCCc1cc(-c2noc(C)c2-c2ccc(C(=O)OCC)o2)c(O)cc1OC ZINC000002109003 570949901 /nfs/dbraw/zinc/94/99/01/570949901.db2.gz DYFSUAOOKDGWEO-UHFFFAOYSA-N 0 0 385.416 4.753 50 0 biogenic GJAARN COc1ccc2cc(CN(C)C(=O)CSCc3ccc(F)cc3)ccc2c1 ZINC000025680582 570950657 /nfs/dbraw/zinc/95/06/57/570950657.db2.gz IPXLOHNMTUJOAG-UHFFFAOYSA-N 0 0 383.488 4.879 50 0 GJAARN O=C(Oc1cccc2ccccc21)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018241403 570952058 /nfs/dbraw/zinc/95/20/58/570952058.db2.gz KZSMPEBIMWPTFJ-SFTDATJTSA-N 0 0 397.430 4.515 50 0 GJAARN CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2F)cn1 ZINC000047325918 570952855 /nfs/dbraw/zinc/95/28/55/570952855.db2.gz QZKASXZDISCGQR-UHFFFAOYSA-N 0 0 381.407 4.733 50 0 GJAARN O=C(CC[C@@H]1COc2ccccc2O1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002117821 570952826 /nfs/dbraw/zinc/95/28/26/570952826.db2.gz GWJSLOKZLBOFOH-GFCCVEGCSA-N 0 0 385.769 4.918 50 0 GJAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000010643063 570953614 /nfs/dbraw/zinc/95/36/14/570953614.db2.gz IIJFSFJKYYSPJC-SIKLNZKXSA-N 0 0 390.870 4.672 50 0 GJAARN Cc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3F)C4)n2)cc1C ZINC000263616575 570954464 /nfs/dbraw/zinc/95/44/64/570954464.db2.gz JLWLFAFLHDKMNC-LJQANCHMSA-N 0 0 390.418 4.628 50 0 GJAARN COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000004741109 570955612 /nfs/dbraw/zinc/95/56/12/570955612.db2.gz JPVUJETZQPGUAM-UHFFFAOYSA-N 0 0 394.446 4.772 50 0 GJAARN Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccsc5)no4)cc3CO2)cc1 ZINC000263619422 570955731 /nfs/dbraw/zinc/95/57/31/570955731.db2.gz YPKXZDSWAWAOQF-INIZCTEOSA-N 0 0 384.848 4.587 50 0 GJAARN C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000003283372 570955900 /nfs/dbraw/zinc/95/59/00/570955900.db2.gz SMPJPDAOUTWUCD-PMDBQALLSA-N 0 0 395.789 4.525 50 0 GJAARN COc1ccc(CSc2nnc(SCC(=O)c3ccccc3)s2)cc1 ZINC000001293623 570956125 /nfs/dbraw/zinc/95/61/25/570956125.db2.gz JIDRPQMHQZIFRL-UHFFFAOYSA-N 0 0 388.539 4.814 50 0 GJAARN C[C@H]1CCCc2sc3ncn4c(SCC(=O)c5ccccc5)nnc4c3c21 ZINC000001302570 570956894 /nfs/dbraw/zinc/95/68/94/570956894.db2.gz DSUBMZPRBXVZFK-LBPRGKRZSA-N 0 0 394.525 4.754 50 0 GJAARN Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccccc4Cl)c(C)c3cc12 ZINC000004744251 570959887 /nfs/dbraw/zinc/95/98/87/570959887.db2.gz CRWNCQPFJUYOTR-UHFFFAOYSA-N 0 0 395.842 4.668 50 0 GJAARN COc1ccc([C@H]2CCCCN(C(=O)c3ccc(Br)cc3)C2)cc1 ZINC000208003282 570960674 /nfs/dbraw/zinc/96/06/74/570960674.db2.gz JOMOYCNFCKSGQJ-KRWDZBQOSA-N 0 0 388.305 4.868 50 0 GJAARN Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cs1 ZINC000208009689 570960720 /nfs/dbraw/zinc/96/07/20/570960720.db2.gz YMLRQGDZPBWEBE-UHFFFAOYSA-N 0 0 392.459 4.910 50 0 GJAARN Cc1nc(-c2csc(S(=O)(=O)NCc3ccccc3Cl)c2)sc1C ZINC000033297644 570962104 /nfs/dbraw/zinc/96/21/04/570962104.db2.gz MYWQSIUYNCJVBU-UHFFFAOYSA-N 0 0 398.962 4.620 50 0 GJAARN CSc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1 ZINC000002135956 570962434 /nfs/dbraw/zinc/96/24/34/570962434.db2.gz OKZHMPGIUSTCFE-ABSORMQESA-N 0 0 378.541 4.744 50 0 biogenic GJAARN Cc1ccc(C)c(-c2csc(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)c1 ZINC000033298227 570962569 /nfs/dbraw/zinc/96/25/69/570962569.db2.gz QFWFAKPFCZKPTP-UHFFFAOYSA-N 0 0 391.452 4.796 50 0 GJAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cc(F)cc(F)c1 ZINC000007596654 570963627 /nfs/dbraw/zinc/96/36/27/570963627.db2.gz ACGHZWWINYTNLM-UHFFFAOYSA-N 0 0 391.805 4.719 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CC2)c1 ZINC000025804197 570963727 /nfs/dbraw/zinc/96/37/27/570963727.db2.gz NJXGRLIOXXNZRY-UHFFFAOYSA-N 0 0 380.271 4.815 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cc1 ZINC000007598362 570964131 /nfs/dbraw/zinc/96/41/31/570964131.db2.gz CMHMOMCCBLQDMK-UHFFFAOYSA-N 0 0 377.469 4.752 50 0 GJAARN Cc1cc(SCC(=O)NCCC(C)C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000033301558 570966203 /nfs/dbraw/zinc/96/62/03/570966203.db2.gz KMGKWOMOYLGIBD-UHFFFAOYSA-N 0 0 397.466 4.725 50 0 GJAARN COc1cc(/C=C\[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000033306943 570967349 /nfs/dbraw/zinc/96/73/49/570967349.db2.gz YSWFNGYVJDPFJC-SREVYHEPSA-N 0 0 398.640 4.938 50 0 GJAARN O=C(Cc1cccs1)Nc1cccc(OCc2nnc(-c3ccccc3)o2)c1 ZINC000033307265 570967721 /nfs/dbraw/zinc/96/77/21/570967721.db2.gz OGWGECFYPQDCHI-UHFFFAOYSA-N 0 0 391.452 4.558 50 0 GJAARN CCCOc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000012225585 570968371 /nfs/dbraw/zinc/96/83/71/570968371.db2.gz GYQAEJMIFFFSNS-UHFFFAOYSA-N 0 0 380.423 4.709 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2C)ns1 ZINC000004167462 570968499 /nfs/dbraw/zinc/96/84/99/570968499.db2.gz WYVORNQFTYIALH-UHFFFAOYSA-N 0 0 385.514 4.643 50 0 GJAARN O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000012226197 570968753 /nfs/dbraw/zinc/96/87/53/570968753.db2.gz WICJNUFKRQRTFD-UHFFFAOYSA-N 0 0 376.378 4.625 50 0 GJAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1[C@H](C)CCC[C@H]1c1ccccc1 ZINC000107075823 570970822 /nfs/dbraw/zinc/97/08/22/570970822.db2.gz KDIWGMNOUXGBKU-DKLXNKCPSA-N 0 0 390.527 4.665 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3cccc(OC)c3)ccc12 ZINC000002146139 570971143 /nfs/dbraw/zinc/97/11/43/570971143.db2.gz IVGABDWVJZUXLH-UHFFFAOYSA-N 0 0 380.440 4.714 50 0 biogenic GJAARN CCCCc1noc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)n1 ZINC000012728475 570972836 /nfs/dbraw/zinc/97/28/36/570972836.db2.gz OXDGMFIPGOGXMC-UHFFFAOYSA-N 0 0 375.523 4.916 50 0 GJAARN COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 ZINC000045932925 570972879 /nfs/dbraw/zinc/97/28/79/570972879.db2.gz HROCSEMXBSXMBH-UHFFFAOYSA-N 0 0 396.487 4.767 50 0 GJAARN CC(C)(C)N[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl ZINC000019315928 570974651 /nfs/dbraw/zinc/97/46/51/570974651.db2.gz GRNHCOSBGGDGMJ-CQSZACIVSA-N 0 0 379.759 4.798 50 0 GJAARN COc1ccc(CNC(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 ZINC000208047282 570974841 /nfs/dbraw/zinc/97/48/41/570974841.db2.gz HIGDPUGNTRZMBI-LJQANCHMSA-N 0 0 390.936 4.738 50 0 GJAARN CC(=O)c1ccc(N2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000054582903 570976120 /nfs/dbraw/zinc/97/61/20/570976120.db2.gz RONLCUUGGRIFMZ-HNNXBMFYSA-N 0 0 398.457 4.517 50 0 GJAARN O=C(CCCCc1nc2ccccc2s1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044709345 570976427 /nfs/dbraw/zinc/97/64/27/570976427.db2.gz HAVYFYZZAZAHSJ-IBGZPJMESA-N 0 0 398.503 4.748 50 0 GJAARN COc1cc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)ccc1NC(C)=O ZINC000044771056 570976860 /nfs/dbraw/zinc/97/68/60/570976860.db2.gz ONOFOXWNATWVFM-UHFFFAOYSA-N 0 0 392.480 4.733 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Br)c1nc(-c2cccnc2)no1 ZINC000012733548 570977743 /nfs/dbraw/zinc/97/77/43/570977743.db2.gz WPUBYUYUCDIZQB-SECBINFHSA-N 0 0 380.629 4.688 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000044874330 570978558 /nfs/dbraw/zinc/97/85/58/570978558.db2.gz AKQKBHFLQDGQJS-NWDGAFQWSA-N 0 0 398.406 4.846 50 0 GJAARN O=c1cc(C(F)(F)F)nc(SCc2cccc(F)c2)n1-c1ccccc1 ZINC000001394895 570979138 /nfs/dbraw/zinc/97/91/38/570979138.db2.gz NTWVUDIMSTYKNB-UHFFFAOYSA-N 0 0 380.366 4.683 50 0 GJAARN CC(C)NC(=O)COc1ccccc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000033325197 570979384 /nfs/dbraw/zinc/97/93/84/570979384.db2.gz SPPXQJBUSCTCGJ-UHFFFAOYSA-N 0 0 393.487 4.605 50 0 GJAARN Cc1ccc(-n2ncc(C(=O)Nc3ccc(Cl)cc3O)c2C(F)(F)F)cc1 ZINC000153530703 570980644 /nfs/dbraw/zinc/98/06/44/570980644.db2.gz ICDXVQWVCIQLGV-UHFFFAOYSA-N 0 0 395.768 4.811 50 0 GJAARN CCc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c1 ZINC000033326685 570980982 /nfs/dbraw/zinc/98/09/82/570980982.db2.gz ZAWKBLDYGBSYGC-UHFFFAOYSA-N 0 0 390.491 4.801 50 0 GJAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)Nc1ccccc1C(F)(F)F ZINC000585148201 570981230 /nfs/dbraw/zinc/98/12/30/570981230.db2.gz ZIHUVGSRCCUJCS-KRWDZBQOSA-N 0 0 390.361 4.821 50 0 GJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000585148835 570982321 /nfs/dbraw/zinc/98/23/21/570982321.db2.gz ISOJOXFPXONXLJ-QHCPKHFHSA-N 0 0 398.506 4.910 50 0 GJAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000001404161 570982682 /nfs/dbraw/zinc/98/26/82/570982682.db2.gz SHXHLUASDKTVGH-UHFFFAOYSA-N 0 0 385.678 4.736 50 0 GJAARN c1coc(-c2nc3ccccc3c3nnc(SCCOc4ccccc4)n32)c1 ZINC000033328921 570985361 /nfs/dbraw/zinc/98/53/61/570985361.db2.gz BJWHMHYQMUZZCH-UHFFFAOYSA-N 0 0 388.452 4.709 50 0 GJAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3C)C(C)(C)C)n2)cc1 ZINC000585152369 570985587 /nfs/dbraw/zinc/98/55/87/570985587.db2.gz VGPSOZFDVVNMNV-SFHVURJKSA-N 0 0 379.460 4.571 50 0 GJAARN Cc1nc(NC(=O)c2cccs2)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033331362 570987621 /nfs/dbraw/zinc/98/76/21/570987621.db2.gz IDGQBIMFCNQCFJ-UHFFFAOYSA-N 0 0 382.470 4.791 50 0 GJAARN COc1ccc(OC)c(CNc2nc3ccc(C)cc3cc2-c2noc(C)n2)c1 ZINC000033331515 570987658 /nfs/dbraw/zinc/98/76/58/570987658.db2.gz ZHIIHRRHRGRCRA-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)c(OC)c1OC ZINC000012746024 570989135 /nfs/dbraw/zinc/98/91/35/570989135.db2.gz QBBGQEBAFBJURH-UHFFFAOYSA-N 0 0 391.467 4.868 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1 ZINC000045351350 570990481 /nfs/dbraw/zinc/99/04/81/570990481.db2.gz CGFRDTYUPHOYAY-OYHNWAKOSA-N 0 0 391.423 4.655 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)Cc1ccsc1 ZINC000084019819 570991114 /nfs/dbraw/zinc/99/11/14/570991114.db2.gz AFKLECIJJVZEMN-JTQLQIEISA-N 0 0 378.856 4.865 50 0 GJAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc(C)cc(C)c3)CCCC2)c1 ZINC000045630375 570993360 /nfs/dbraw/zinc/99/33/60/570993360.db2.gz SRKRKGKAFWWFOO-UHFFFAOYSA-N 0 0 385.529 4.645 50 0 GJAARN Cc1cccn2cc(COc3ccccc3C(=O)NC3CCCCCC3)nc12 ZINC000011373893 570994731 /nfs/dbraw/zinc/99/47/31/570994731.db2.gz GOGUVGCAMGIOIZ-UHFFFAOYSA-N 0 0 377.488 4.674 50 0 GJAARN COc1cc(OC)c(NC(=O)c2cc(F)ccc2Br)cc1Cl ZINC000019201760 571001071 /nfs/dbraw/zinc/00/10/71/571001071.db2.gz YIODFIGXILABCG-UHFFFAOYSA-N 0 0 388.620 4.511 50 0 GJAARN COc1ccc(CC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000007614250 571001401 /nfs/dbraw/zinc/00/14/01/571001401.db2.gz WOYNLUOAYKVMMY-UHFFFAOYSA-N 0 0 381.482 4.610 50 0 GJAARN Cn1c2ccccc2c2cc([C@@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)ccc21 ZINC000001427244 571001601 /nfs/dbraw/zinc/00/16/01/571001601.db2.gz YJGCVRRNFIOBIP-KRWDZBQOSA-N 0 0 395.414 4.879 50 0 GJAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1C1CC1 ZINC000007617391 571002421 /nfs/dbraw/zinc/00/24/21/571002421.db2.gz HDJSRNIIUIUSBA-AWEZNQCLSA-N 0 0 394.500 4.833 50 0 GJAARN O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 ZINC000045932918 571002590 /nfs/dbraw/zinc/00/25/90/571002590.db2.gz QBHKVSJDFJPGEG-UHFFFAOYSA-N 0 0 384.451 4.898 50 0 GJAARN CC(C)CNC(=O)Cn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037397143 571003726 /nfs/dbraw/zinc/00/37/26/571003726.db2.gz SIVBJNGQGYKPLD-UHFFFAOYSA-N 0 0 390.314 4.706 50 0 GJAARN Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000001431283 571003754 /nfs/dbraw/zinc/00/37/54/571003754.db2.gz NSOSGJVRLNYHNF-MAUKXSAKSA-N 0 0 389.496 4.885 50 0 GJAARN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3c3nccs3)cn2)cc1C ZINC000084180783 571005951 /nfs/dbraw/zinc/00/59/51/571005951.db2.gz VMTKJZUFNYWOTL-GOSISDBHSA-N 0 0 394.500 4.555 50 0 GJAARN CC[C@@H](C(=O)NC(C)C)n1c(Cc2ccccc2F)nc2cc(C)c(C)cc21 ZINC000037398683 571006092 /nfs/dbraw/zinc/00/60/92/571006092.db2.gz YMPMOVYHVFFILU-FQEVSTJZSA-N 0 0 381.495 4.859 50 0 GJAARN Cc1ccc(-c2noc([C@@H](C)SCc3nc(C(C)(C)C)no3)n2)cc1F 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CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1SC ZINC000018702123 210219733 /nfs/dbraw/zinc/21/97/33/210219733.db2.gz JOTVLLKGUAHIPB-UHFFFAOYSA-N 0 0 383.439 4.921 50 0 GJAARN Cc1cc(Br)ccc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2C1=O ZINC000018244044 210218371 /nfs/dbraw/zinc/21/83/71/210218371.db2.gz FIRSCXKURKFPSN-NXHRZFHOSA-N 0 0 398.300 4.831 50 0 GJAARN CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 ZINC000017247803 210207491 /nfs/dbraw/zinc/20/74/91/210207491.db2.gz FDUYUAVRLQBGAQ-UHFFFAOYSA-N 0 0 376.378 4.647 50 0 GJAARN CCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3ccc(C)cc3nc21 ZINC000017252572 210207421 /nfs/dbraw/zinc/20/74/21/210207421.db2.gz GUWRLIQHRMARPX-UHFFFAOYSA-N 0 0 388.471 4.954 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 ZINC000017135774 210206236 /nfs/dbraw/zinc/20/62/36/210206236.db2.gz IASSBXZVTLYTRY-UHFFFAOYSA-N 0 0 388.496 4.744 50 0 GJAARN Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 ZINC000017121259 210204466 /nfs/dbraw/zinc/20/44/66/210204466.db2.gz 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UIYOGTAOAIQHOV-GOSISDBHSA-N 0 0 394.418 4.833 50 0 GJAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000005930564 209622264 /nfs/dbraw/zinc/62/22/64/209622264.db2.gz NRHSLASWKBQKOJ-RBBKRZOGSA-N 0 0 391.858 4.986 50 0 GJAARN Nc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(-c2cccc3ccccc32)n1 ZINC000005739948 209612971 /nfs/dbraw/zinc/61/29/71/209612971.db2.gz UXQALNWSEYJMNO-UHFFFAOYSA-N 0 0 398.510 4.578 50 0 GJAARN Cc1ccc(Cn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)cc1 ZINC000005545888 209601579 /nfs/dbraw/zinc/60/15/79/209601579.db2.gz GIQDKFPFLWRCFX-UHFFFAOYSA-N 0 0 383.495 4.756 50 0 GJAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000005537199 209600906 /nfs/dbraw/zinc/60/09/06/209600906.db2.gz HOBNSFSMZZDICP-HNNXBMFYSA-N 0 0 375.424 4.567 50 0 GJAARN Cc1ccccc1CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000005500793 209599551 /nfs/dbraw/zinc/59/95/51/209599551.db2.gz LOKCXGFNVMTOMQ-HNNXBMFYSA-N 0 0 375.494 4.742 50 0 GJAARN O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cc1Cl ZINC000005307813 209586201 /nfs/dbraw/zinc/58/62/01/209586201.db2.gz OVJURGGOEOHDLL-UHFFFAOYSA-N 0 0 384.284 4.729 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3CCCCC3)c(C)c12 ZINC000005151971 209576218 /nfs/dbraw/zinc/57/62/18/209576218.db2.gz FWBVKGSEXRATOK-UHFFFAOYSA-N 0 0 390.531 4.599 50 0 GJAARN Cc1ccccc1C(=O)c1cccn1CC(=O)NCCCSC1CCCCC1 ZINC000005143297 209574279 /nfs/dbraw/zinc/57/42/79/209574279.db2.gz QVPAFISWPKYZMV-UHFFFAOYSA-N 0 0 398.572 4.600 50 0 GJAARN Cc1oc(-c2ccccc2C)nc1CSCC(=O)NCc1ccc(C)cc1 ZINC000005057482 209563871 /nfs/dbraw/zinc/56/38/71/209563871.db2.gz CQIGHPFSRDNGAL-UHFFFAOYSA-N 0 0 380.513 4.816 50 0 GJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2NCCc1ccc(C)cc1 ZINC000005058880 209563641 /nfs/dbraw/zinc/56/36/41/209563641.db2.gz SZTFTQGNRBXVCQ-UHFFFAOYSA-N 0 0 386.499 4.985 50 0 GJAARN C[C@H]1CCCC[C@H]1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000005053572 209562672 /nfs/dbraw/zinc/56/26/72/209562672.db2.gz COGHPZMQUJHMAS-YIKIYTBXSA-N 0 0 375.944 4.813 50 0 GJAARN CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1 ZINC000004914155 209544477 /nfs/dbraw/zinc/54/44/77/209544477.db2.gz TUHORVCRLGLVAI-UHFFFAOYSA-N 0 0 377.440 4.638 50 0 GJAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccc(Cl)cc1 ZINC000004882529 209539740 /nfs/dbraw/zinc/53/97/40/209539740.db2.gz QLFSLUALKLAREF-UHFFFAOYSA-N 0 0 396.899 4.532 50 0 GJAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccc(F)c1)Nc1ccc(F)cc1 ZINC000004890805 209538990 /nfs/dbraw/zinc/53/89/90/209538990.db2.gz POFWBDQZYGTUIB-UHFFFAOYSA-N 0 0 399.466 4.808 50 0 GJAARN CC(C)NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(Cl)c1)S2 ZINC000004932043 209546820 /nfs/dbraw/zinc/54/68/20/209546820.db2.gz NIAOQNWVKOZSHO-ZDLGFXPLSA-N 0 0 386.904 4.588 50 0 GJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2cccc(C)c2)no1 ZINC000004879063 209537349 /nfs/dbraw/zinc/53/73/49/209537349.db2.gz FDGCWRMZFCBTGC-SFHVURJKSA-N 0 0 392.459 4.813 50 0 GJAARN CCOc1ccccc1C(=O)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000004790752 209526207 /nfs/dbraw/zinc/52/62/07/209526207.db2.gz UFNDQABRJOHHEG-UHFFFAOYSA-N 0 0 375.403 4.791 50 0 GJAARN Cc1ccccc1-n1nnnc1C1(N(N=O)c2ccc(Cl)cc2)CCCCC1 ZINC000004771956 209525383 /nfs/dbraw/zinc/52/53/83/209525383.db2.gz AJUHVCRCINORBJ-UHFFFAOYSA-N 0 0 396.882 4.972 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(OC)cc2)C1C(=O)OCC ZINC000004741900 209519915 /nfs/dbraw/zinc/51/99/15/209519915.db2.gz RSERZJANTGQDDB-OAQYLSRUSA-N 0 0 391.471 4.677 50 0 GJAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000004734507 209518195 /nfs/dbraw/zinc/51/81/95/209518195.db2.gz ITHVGAMVQLABID-XMMPIXPASA-N 0 0 395.462 4.660 50 0 GJAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(Oc3ccccc3)cc1)CCCC2 ZINC000004574412 209497935 /nfs/dbraw/zinc/49/79/35/209497935.db2.gz ZAKWVNXLSDLKEO-UHFFFAOYSA-N 0 0 392.480 4.770 50 0 GJAARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000004384826 209484001 /nfs/dbraw/zinc/48/40/01/209484001.db2.gz MTFOXLQHOQKEPO-UHFFFAOYSA-N 0 0 383.812 4.966 50 0 GJAARN COc1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2ccccc2)cc1 ZINC000004472529 209487570 /nfs/dbraw/zinc/48/75/70/209487570.db2.gz SPBULAGDDGPNNN-VHXPQNKSSA-N 0 0 386.476 4.956 50 0 GJAARN CSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)n1-c1ccccc1 ZINC000004051974 209462432 /nfs/dbraw/zinc/46/24/32/209462432.db2.gz IFRXYMJAYOJQAX-UHFFFAOYSA-N 0 0 395.435 4.623 50 0 GJAARN O=C(NC1CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003587955 209446420 /nfs/dbraw/zinc/44/64/20/209446420.db2.gz NHURKRXYTMUTHQ-DEDYPNTBSA-N 0 0 396.487 4.974 50 0 GJAARN Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1I ZINC000003559394 209445507 /nfs/dbraw/zinc/44/55/07/209445507.db2.gz CCULNIXJXUHBMS-UHFFFAOYSA-N 0 0 389.595 4.644 50 0 GJAARN COc1ccccc1/C=C/C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000003281595 209419501 /nfs/dbraw/zinc/41/95/01/209419501.db2.gz NRTQRNXRECPMHY-XNTDXEJSSA-N 0 0 376.383 4.684 50 0 GJAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1nccs1 ZINC000003254127 209417840 /nfs/dbraw/zinc/41/78/40/209417840.db2.gz NFQDUDYRLLSVLY-CMDGGOBGSA-N 0 0 378.482 4.709 50 0 GJAARN CC(=O)N1CCC(N(CCC(C)C)C(=S)Nc2cccc(Cl)c2C)CC1 ZINC000003056059 209409998 /nfs/dbraw/zinc/40/99/98/209409998.db2.gz YOQKNONYSSAYKA-UHFFFAOYSA-N 0 0 396.000 4.704 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC2)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)n1 ZINC000002788054 209385262 /nfs/dbraw/zinc/38/52/62/209385262.db2.gz CIIGXLXAGVSZCL-UHFFFAOYSA-N 0 0 397.478 4.564 50 0 GJAARN COc1ccc(-n2c(=O)c3sccc3nc2SCc2cccc(F)c2)cc1 ZINC000002925253 209399233 /nfs/dbraw/zinc/39/92/33/209399233.db2.gz GZJYBOPMCYURFH-UHFFFAOYSA-N 0 0 398.484 4.887 50 0 GJAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NCCc2ccccc2)c1C ZINC000002929836 209398955 /nfs/dbraw/zinc/39/89/55/209398955.db2.gz HRDPOVIENGJAHW-UHFFFAOYSA-N 0 0 392.474 4.554 50 0 GJAARN Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCCC2)cc1 ZINC000002912861 209397353 /nfs/dbraw/zinc/39/73/53/209397353.db2.gz GHXPKOXDZAMYOJ-HSZRJFAPSA-N 0 0 390.527 4.921 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccccc1-2 ZINC000002918963 209397061 /nfs/dbraw/zinc/39/70/61/209397061.db2.gz MHYRXDRRVNZTJZ-GOSISDBHSA-N 0 0 379.489 4.637 50 0 GJAARN Clc1ccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)cc1 ZINC000002914730 209396735 /nfs/dbraw/zinc/39/67/35/209396735.db2.gz JNSVSAGGWPLIPP-HZPDHXFCSA-N 0 0 389.684 4.840 50 0 GJAARN Cc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1C ZINC000002919607 209396745 /nfs/dbraw/zinc/39/67/45/209396745.db2.gz FTFNSWZPOJLMFL-MSOLQXFVSA-N 0 0 383.293 4.804 50 0 GJAARN CCCCOC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000002891887 209396070 /nfs/dbraw/zinc/39/60/70/209396070.db2.gz OUNKYRXNIZCIQL-JWGURIENSA-N 0 0 395.499 4.836 50 0 GJAARN CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 ZINC000002881217 209394774 /nfs/dbraw/zinc/39/47/74/209394774.db2.gz MVTYCZQTRVLMDW-LJQANCHMSA-N 0 0 390.483 4.748 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)cc1 ZINC000002877011 209393790 /nfs/dbraw/zinc/39/37/90/209393790.db2.gz XKBSIJBHCBRHDG-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN COc1ccc(OC)c([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002857580 209392270 /nfs/dbraw/zinc/39/22/70/209392270.db2.gz RIVQEEFOLKYATR-LLVKDONJSA-N 0 0 384.423 4.770 50 0 GJAARN CC(C)[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000002852609 209392244 /nfs/dbraw/zinc/39/22/44/209392244.db2.gz CACZXDAIZDKPKU-GOSISDBHSA-N 0 0 396.712 4.995 50 0 GJAARN O=C(COc1ccc(Cl)cc1Br)Nc1cccc2c1CCCC2 ZINC000002845629 209391677 /nfs/dbraw/zinc/39/16/77/209391677.db2.gz JZQKVGQZYQORDS-UHFFFAOYSA-N 0 0 394.696 4.999 50 0 GJAARN Cc1ccc(OCCSCc2nnc(NC(=O)C3CCCCC3)s2)cc1 ZINC000002845260 209391534 /nfs/dbraw/zinc/39/15/34/209391534.db2.gz YGXQNKZITCQLQO-UHFFFAOYSA-N 0 0 391.562 4.678 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)N2CCc3ccccc32)c(Br)c1 ZINC000002849065 209391036 /nfs/dbraw/zinc/39/10/36/209391036.db2.gz WCSIIAAIBKBMBW-UHFFFAOYSA-N 0 0 388.305 4.715 50 0 GJAARN COc1ccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)cc1 ZINC000002834274 209390352 /nfs/dbraw/zinc/39/03/52/209390352.db2.gz DNMSRJSJUWSWKM-UHFFFAOYSA-N 0 0 389.451 4.747 50 0 GJAARN CCc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002843741 209389987 /nfs/dbraw/zinc/38/99/87/209389987.db2.gz KTBPQQYECIRJLK-QZTJIDSGSA-N 0 0 383.293 4.749 50 0 GJAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000002827127 209389996 /nfs/dbraw/zinc/38/99/96/209389996.db2.gz AKMWGEBAOLJYCR-UHFFFAOYSA-N 0 0 375.266 4.830 50 0 GJAARN Fc1ccc(OCc2ccccc2-c2nc3c4ccccc4ncn3n2)c(F)c1 ZINC000002807823 209388191 /nfs/dbraw/zinc/38/81/91/209388191.db2.gz XQVQRQNKAWJCTE-UHFFFAOYSA-N 0 0 388.377 4.802 50 0 GJAARN O=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(Cl)cc1 ZINC000002798233 209386298 /nfs/dbraw/zinc/38/62/98/209386298.db2.gz RGRZXGNLHTZDOD-UHFFFAOYSA-N 0 0 381.650 4.539 50 0 GJAARN CCOc1ccccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000002622382 209371269 /nfs/dbraw/zinc/37/12/69/209371269.db2.gz QRYKEOQLZUGMJT-UHFFFAOYSA-N 0 0 384.657 4.519 50 0 GJAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1CC ZINC000002623553 209371465 /nfs/dbraw/zinc/37/14/65/209371465.db2.gz ICECCDDCPDHJTD-UHFFFAOYSA-N 0 0 387.530 4.920 50 0 GJAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1cccc(OC)c1 ZINC000002455782 209365741 /nfs/dbraw/zinc/36/57/41/209365741.db2.gz FECOLRACCOEVJA-UHFFFAOYSA-N 0 0 386.835 4.826 50 0 GJAARN O=C1O[C@](Nc2cccc(Br)c2)(c2ccccc2)c2ccccc21 ZINC000002771318 209383374 /nfs/dbraw/zinc/38/33/74/209383374.db2.gz BZWMDZUEXRAVSL-HXUWFJFHSA-N 0 0 380.241 4.933 50 0 GJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 ZINC000002760178 209382917 /nfs/dbraw/zinc/38/29/17/209382917.db2.gz DUEWNQHYXCWBTO-IBGZPJMESA-N 0 0 383.879 4.689 50 0 GJAARN COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1Cl ZINC000002763489 209382490 /nfs/dbraw/zinc/38/24/90/209382490.db2.gz MDEXLWDALQHVQF-UHFFFAOYSA-N 0 0 375.783 4.912 50 0 GJAARN O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc21)N1CCCC1 ZINC000002746098 209380841 /nfs/dbraw/zinc/38/08/41/209380841.db2.gz KHPZWZAXAJMUAT-UHFFFAOYSA-N 0 0 381.273 4.900 50 0 GJAARN CCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000002721725 209380266 /nfs/dbraw/zinc/38/02/66/209380266.db2.gz 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/nfs/dbraw/zinc/36/31/69/209363169.db2.gz QQHJCPLXKQYPND-UHFFFAOYSA-N 0 0 375.501 4.859 50 0 GJAARN CC(C)(C)c1ccc(-c2nc3c4cnn(-c5ccc(F)cc5)c4ncn3n2)cc1 ZINC000002410469 209363004 /nfs/dbraw/zinc/36/30/04/209363004.db2.gz DDZJKKBRWMYNAG-UHFFFAOYSA-N 0 0 386.434 4.567 50 0 GJAARN CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1 ZINC000002422052 209362920 /nfs/dbraw/zinc/36/29/20/209362920.db2.gz ZQWMYXXXEADBGL-UHFFFAOYSA-N 0 0 388.471 4.892 50 0 GJAARN CCCCSc1nc2sc3c(c2c(NC[C@H](C)O)n1)C[C@@](C)(CC)OC3 ZINC000002423493 209362745 /nfs/dbraw/zinc/36/27/45/209362745.db2.gz CYQUGIJRQGOHNL-HXPMCKFVSA-N 0 0 395.594 4.618 50 0 GJAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000002398494 209361390 /nfs/dbraw/zinc/36/13/90/209361390.db2.gz UMTHLOUFNYJJTQ-UQBPGWFLSA-N 0 0 381.840 4.673 50 0 GJAARN CC[C@H](C)COC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000002378163 209359997 /nfs/dbraw/zinc/35/99/97/209359997.db2.gz GXBPIBOOLRKLEI-AWEZNQCLSA-N 0 0 380.492 4.875 50 0 GJAARN 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Cc1onc(-c2ccccc2Cl)c1C(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000001026657 209290359 /nfs/dbraw/zinc/29/03/59/209290359.db2.gz HEYKBSRPSZTOCU-LBPRGKRZSA-N 0 0 395.846 4.681 50 0 GJAARN COC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCC2 ZINC000000996014 209287965 /nfs/dbraw/zinc/28/79/65/209287965.db2.gz ATJFFVJFOCEJEY-UHFFFAOYSA-N 0 0 385.819 4.597 50 0 GJAARN Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)c1 ZINC000001006576 209289090 /nfs/dbraw/zinc/28/90/90/209289090.db2.gz PGYPNALTYDUZLW-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nccs1 ZINC000001019988 209289128 /nfs/dbraw/zinc/28/91/28/209289128.db2.gz MJCHBJYIEDXLDZ-INIZCTEOSA-N 0 0 394.839 4.653 50 0 GJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000001017160 209289183 /nfs/dbraw/zinc/28/91/83/209289183.db2.gz BNOBQQUDCIVBRE-NOZJJQNGSA-N 0 0 375.104 4.520 50 0 GJAARN NC(=O)c1c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000001000872 209287670 /nfs/dbraw/zinc/28/76/70/209287670.db2.gz HOKIGSODNJRYMC-NBVRZTHBSA-N 0 0 388.492 4.515 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000000997394 209287712 /nfs/dbraw/zinc/28/77/12/209287712.db2.gz PHNVUIOPEFCMNF-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000009603150 209287175 /nfs/dbraw/zinc/28/71/75/209287175.db2.gz BTJIAQIHOLSLTF-UHFFFAOYSA-N 0 0 381.259 4.616 50 0 GJAARN CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl ZINC000000982616 209285342 /nfs/dbraw/zinc/28/53/42/209285342.db2.gz PVEUIOOZJSAGMI-UHFFFAOYSA-N 0 0 390.936 4.598 50 0 GJAARN CCc1cccc(CC)c1NC(=O)COc1ccc(C)cc1Br ZINC000000951414 209283916 /nfs/dbraw/zinc/28/39/16/209283916.db2.gz TYZGZOQTLLFXGI-UHFFFAOYSA-N 0 0 376.294 4.900 50 0 GJAARN COc1ccc(-c2cc(=O)c3cc(OC(=O)C4CCCCC4)ccc3o2)cc1 ZINC000000955664 209283741 /nfs/dbraw/zinc/28/37/41/209283741.db2.gz GXRPNINLWHBHGD-UHFFFAOYSA-N 0 0 378.424 4.954 50 0 biogenic GJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(O)cc1 ZINC000000951944 209283564 /nfs/dbraw/zinc/28/35/64/209283564.db2.gz OENJXCLGTOOGLF-UHFFFAOYSA-N 0 0 387.233 4.623 50 0 GJAARN Cc1ccc(SCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000000948794 209282063 /nfs/dbraw/zinc/28/20/63/209282063.db2.gz LMQIWBBSUKAIOU-UHFFFAOYSA-N 0 0 382.510 4.553 50 0 GJAARN O=c1c2cc(-c3ccccc3)sc2ncn1Cc1cccc(Br)c1 ZINC000000957752 209283326 /nfs/dbraw/zinc/28/33/26/209283326.db2.gz ICWGTRKGXPXUJK-UHFFFAOYSA-N 0 0 397.297 4.936 50 0 GJAARN CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(Cl)cccc32)cc1 ZINC000000940253 209281102 /nfs/dbraw/zinc/28/11/02/209281102.db2.gz HRIYWAFEZKQBMQ-UHFFFAOYSA-N 0 0 398.846 4.985 50 0 GJAARN O=C(COc1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000000943054 209281716 /nfs/dbraw/zinc/28/17/16/209281716.db2.gz LHXSFYBZMLQMGB-UHFFFAOYSA-N 0 0 392.402 4.770 50 0 GJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000921906 209278786 /nfs/dbraw/zinc/27/87/86/209278786.db2.gz PYZYZCIICKDLAH-HXUWFJFHSA-N 0 0 390.464 4.921 50 0 GJAARN CN(C)C(=O)c1c2c(sc1NC(=O)c1ccccc1)C[C@@H](C(C)(C)C)CC2 ZINC000000920963 209278808 /nfs/dbraw/zinc/27/88/08/209278808.db2.gz QEJMDZCXXZFBME-HNNXBMFYSA-N 0 0 384.545 4.853 50 0 GJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000009548965 209277997 /nfs/dbraw/zinc/27/79/97/209277997.db2.gz XAVNVYZCZKEHQT-UHFFFAOYSA-N 0 0 389.524 4.668 50 0 GJAARN Cc1ccccc1C(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000882139 209276517 /nfs/dbraw/zinc/27/65/17/209276517.db2.gz VTOYIMMQULWUKV-UHFFFAOYSA-N 0 0 387.917 4.899 50 0 GJAARN O=C(NC1CCCCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865983 209274542 /nfs/dbraw/zinc/27/45/42/209274542.db2.gz NPYPPDWCUIABSE-IAGOWNOFSA-N 0 0 392.425 4.606 50 0 GJAARN O=C(CSc1nnc(-c2cccnc2)o1)N(c1ccccc1)c1ccccc1 ZINC000000863275 209273529 /nfs/dbraw/zinc/27/35/29/209273529.db2.gz DYFZHJJIMOBSOU-UHFFFAOYSA-N 0 0 388.452 4.589 50 0 GJAARN COc1ccc(-n2cnc3cc(NCc4nc5ccccc5n4C)ccc32)cc1 ZINC000000862247 209273540 /nfs/dbraw/zinc/27/35/40/209273540.db2.gz IFYXBNJKIJBBKW-UHFFFAOYSA-N 0 0 383.455 4.533 50 0 GJAARN CCOc1ccc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc2c1 ZINC000000856291 209272915 /nfs/dbraw/zinc/27/29/15/209272915.db2.gz CYTNPQRXJJMLCC-UHFFFAOYSA-N 0 0 379.441 4.762 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000828838 209270210 /nfs/dbraw/zinc/27/02/10/209270210.db2.gz LTDYRLXLJOEWFR-QGZVFWFLSA-N 0 0 390.270 4.568 50 0 GJAARN Cc1cccc(C(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)c1 ZINC000000811253 209267552 /nfs/dbraw/zinc/26/75/52/209267552.db2.gz JWXQUVSEQOTSGG-UHFFFAOYSA-N 0 0 381.501 4.975 50 0 GJAARN CCc1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1 ZINC000000795403 209265224 /nfs/dbraw/zinc/26/52/24/209265224.db2.gz BWICPEMANLMONK-UHFFFAOYSA-N 0 0 382.485 4.571 50 0 GJAARN Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc12 ZINC000000795104 209264979 /nfs/dbraw/zinc/26/49/79/209264979.db2.gz DIXCUTXZWPHUKC-UHFFFAOYSA-N 0 0 382.876 4.575 50 0 GJAARN COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000000756746 209263433 /nfs/dbraw/zinc/26/34/33/209263433.db2.gz RFEQWCYGZRNGLW-UHFFFAOYSA-N 0 0 386.242 4.875 50 0 GJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1ccc(F)c(F)c1 ZINC000000718724 209261607 /nfs/dbraw/zinc/26/16/07/209261607.db2.gz MYQFDFYNIDOPIY-UHFFFAOYSA-N 0 0 398.331 4.626 50 0 GJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C ZINC000000687415 209259257 /nfs/dbraw/zinc/25/92/57/209259257.db2.gz STKXOYIAFUXVPI-UHFFFAOYSA-N 0 0 380.517 4.645 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000000681077 209259252 /nfs/dbraw/zinc/25/92/52/209259252.db2.gz GJQPZHIZHLWUEJ-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)Cc3ccccc3)c2C(=O)OC)cc1 ZINC000000668887 209256877 /nfs/dbraw/zinc/25/68/77/209256877.db2.gz YGLOBFAQUGZMJG-UHFFFAOYSA-N 0 0 379.481 4.945 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)cc1 ZINC000000672864 209257753 /nfs/dbraw/zinc/25/77/53/209257753.db2.gz PZKOKFALKGNSMF-UHFFFAOYSA-N 0 0 381.435 4.561 50 0 GJAARN Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000000677086 209257727 /nfs/dbraw/zinc/25/77/27/209257727.db2.gz QXNDKTOYVDYXAD-SNDHGLFQSA-N 0 0 379.459 4.700 50 0 GJAARN CCCc1nn(C)c(C(=O)Nc2ccc(C(=O)c3ccc(F)cc3)cc2)c1Cl ZINC000000633099 209252765 /nfs/dbraw/zinc/25/27/65/209252765.db2.gz GJVDYZWGXOPWTF-UHFFFAOYSA-N 0 0 399.853 4.648 50 0 GJAARN O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000000625658 209251934 /nfs/dbraw/zinc/25/19/34/209251934.db2.gz PAXQRNUAUHOIED-CQSZACIVSA-N 0 0 396.693 4.527 50 0 GJAARN CCN1c2ccccc2Oc2ccc(NC(=O)Cc3cccc(C)c3)cc2C1=O ZINC000009134684 209250321 /nfs/dbraw/zinc/25/03/21/209250321.db2.gz SGHABCUOFSHDEW-UHFFFAOYSA-N 0 0 386.451 4.949 50 0 GJAARN COc1cc(/C=C(/c2nc(C)cs2)c2nc3ccccc3n2C)cc(OC)c1 ZINC000096891597 209241714 /nfs/dbraw/zinc/24/17/14/209241714.db2.gz WHIJJBNCODLGMH-WOJGMQOQSA-N 0 0 391.496 4.944 50 0 GJAARN O=C(OCCO)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2 ZINC000096925395 209241293 /nfs/dbraw/zinc/24/12/93/209241293.db2.gz WFYCPDCXYZTDFE-SEYXRHQNSA-N 0 0 397.833 4.663 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002095762 209230090 /nfs/dbraw/zinc/23/00/90/209230090.db2.gz BVOBNQKPFVHUPB-UHFFFAOYSA-N 0 0 385.419 4.786 50 0 biogenic GJAARN CCc1cc2c(cc1OC(C)C)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630465 209226908 /nfs/dbraw/zinc/22/69/08/209226908.db2.gz UDBVJKCWLNBJFH-UHFFFAOYSA-N 0 0 380.440 4.889 50 0 biogenic GJAARN Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccccc4Cl)no3)c2CO1 ZINC000263615394 209225261 /nfs/dbraw/zinc/22/52/61/209225261.db2.gz CEVXAHQLWWXAOS-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC2CCC2)[C@@H]1c1cccs1 ZINC000257173749 209224585 /nfs/dbraw/zinc/22/45/85/209224585.db2.gz WCQHAQGXBPETAL-RTWAWAEBSA-N 0 0 396.556 4.601 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253410915 209219370 /nfs/dbraw/zinc/21/93/70/209219370.db2.gz NYCDFLAYBBDBCG-SFHVURJKSA-N 0 0 398.414 4.915 50 0 biogenic GJAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cc2ccccc2s1 ZINC000244983794 209215400 /nfs/dbraw/zinc/21/54/00/209215400.db2.gz IRDPNINDSTUYAS-IBGZPJMESA-N 0 0 385.535 4.690 50 0 GJAARN Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)ncc1NC(=O)OC(C)(C)C ZINC000263639821 212031912 /nfs/dbraw/zinc/03/19/12/212031912.db2.gz KKOUGNWUAQUTFK-UHFFFAOYSA-N 0 0 388.777 4.866 50 0 GJAARN C[C@]12CCC[C@@H]1[C@@H]1[C@H](CC2)[C@]2(C)CCC3(C[C@@H]2CC12OCCO2)OCCO3 ZINC000257349227 212029521 /nfs/dbraw/zinc/02/95/21/212029521.db2.gz MPIRFQZGXWCVJD-JMPUJIDWSA-N 0 0 376.537 4.515 50 0 GJAARN c1sc(Cc2ccccc2)nc1CNc1nncc(-c2cc3ccccc3o2)n1 ZINC000011933904 203753178 /nfs/dbraw/zinc/75/31/78/203753178.db2.gz YUOMTUSLTNOOHQ-UHFFFAOYSA-N 0 0 399.479 4.944 50 0 GJAARN O=C(Nc1cccnc1)c1ccccc1OCc1cccc(Br)c1 ZINC000023607057 203783829 /nfs/dbraw/zinc/78/38/29/203783829.db2.gz OPGDAAMSQCSRPI-UHFFFAOYSA-N 0 0 383.245 4.675 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)cs1 ZINC000009052949 203839065 /nfs/dbraw/zinc/83/90/65/203839065.db2.gz WWHYTQWCFZNXIF-MRXNPFEDSA-N 0 0 380.513 4.553 50 0 GJAARN Cc1cc(NC(=O)CN2c3cccc4cccc(c34)C2=O)ccc1Br ZINC000000640114 203844176 /nfs/dbraw/zinc/84/41/76/203844176.db2.gz AVGTYSMBMZXOKV-UHFFFAOYSA-N 0 0 395.256 4.510 50 0 GJAARN Clc1ccccc1-c1noc(-c2ncn3c2CO[C@H](c2ccccc2)C3)n1 ZINC000263616777 203820844 /nfs/dbraw/zinc/82/08/44/203820844.db2.gz KMHPSICPPOHKNU-KRWDZBQOSA-N 0 0 378.819 4.525 50 0 GJAARN Fc1cc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)ccc1Cl ZINC000263618839 203821486 /nfs/dbraw/zinc/82/14/86/203821486.db2.gz VTIOYCQFDODGFM-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN COc1ccc(C(=O)Oc2c3ccccc3oc(=O)c2Cc2ccccc2)cc1 ZINC000000641613 203822865 /nfs/dbraw/zinc/82/28/65/203822865.db2.gz GFFLPEIYFLREAN-UHFFFAOYSA-N 0 0 386.403 4.612 50 0 biogenic GJAARN O=C(/C=C/c1ccccc1Cl)Nc1ccccc1I ZINC000001217893 203897893 /nfs/dbraw/zinc/89/78/93/203897893.db2.gz BDYLDEHKKRJAJS-MDZDMXLPSA-N 0 0 383.616 4.597 50 0 GJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccccc2)c2ccc(F)cc2)c1C ZINC000000720440 203850612 /nfs/dbraw/zinc/85/06/12/203850612.db2.gz NREJZJJUWXDCBL-UHFFFAOYSA-N 0 0 394.446 4.794 50 0 GJAARN C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCC2)C1 ZINC000000758826 203851611 /nfs/dbraw/zinc/85/16/11/203851611.db2.gz QTORIVMCWNSTKP-ZDUSSCGKSA-N 0 0 388.558 4.813 50 0 GJAARN COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1ccco1 ZINC000000917704 203864475 /nfs/dbraw/zinc/86/44/75/203864475.db2.gz MDTKUXMNGMPETR-UHFFFAOYSA-N 0 0 394.427 4.580 50 0 GJAARN CCCc1nnc(-c2cc3ccccc3n2Cc2cc(OC)cc(OC)c2)o1 ZINC000009651397 203865927 /nfs/dbraw/zinc/86/59/27/203865927.db2.gz DTCZJHDZAHAZIU-UHFFFAOYSA-N 0 0 377.444 4.709 50 0 GJAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000000990829 203869962 /nfs/dbraw/zinc/86/99/62/203869962.db2.gz PQBPNMUXWHRSQN-JOCHJYFZSA-N 0 0 384.387 4.574 50 0 GJAARN O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000990457 203870648 /nfs/dbraw/zinc/87/06/48/203870648.db2.gz KBRAAZYRIXSSAG-UHFFFAOYSA-N 0 0 393.826 4.632 50 0 GJAARN COc1cccc(C(=O)COc2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000000993021 203872229 /nfs/dbraw/zinc/87/22/29/203872229.db2.gz YLPKMGGGXYLDHM-UHFFFAOYSA-N 0 0 395.842 4.863 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c(OC)c1 ZINC000001002494 203873211 /nfs/dbraw/zinc/87/32/11/203873211.db2.gz FEMAZDFKEAJKBD-UHFFFAOYSA-N 0 0 399.450 4.875 50 0 GJAARN CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000001037764 203876019 /nfs/dbraw/zinc/87/60/19/203876019.db2.gz VCURXAHWFOSGTJ-UHFFFAOYSA-N 0 0 393.317 4.881 50 0 GJAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000001039199 203876135 /nfs/dbraw/zinc/87/61/35/203876135.db2.gz ITONUYDDQFTXSQ-IBGZPJMESA-N 0 0 395.528 4.917 50 0 GJAARN CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C)C2 ZINC000001081631 203881870 /nfs/dbraw/zinc/88/18/70/203881870.db2.gz VIEOAWKHSGCSNG-GFCCVEGCSA-N 0 0 376.547 4.669 50 0 GJAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(C)cc(C)c2)o1 ZINC000001083489 203882298 /nfs/dbraw/zinc/88/22/98/203882298.db2.gz GZGFDVPMTDXICR-UHFFFAOYSA-N 0 0 379.412 4.514 50 0 aggregator GJAARN COc1ccc(C(=O)n2nc(-c3ccco3)nc2SCc2ccccc2)cc1 ZINC000001112014 203884696 /nfs/dbraw/zinc/88/46/96/203884696.db2.gz RJVSDKOTRPUDAC-UHFFFAOYSA-N 0 0 391.452 4.528 50 0 GJAARN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000001214282 203897783 /nfs/dbraw/zinc/89/77/83/203897783.db2.gz MJKJDRJARDDTKM-UHFFFAOYSA-N 0 0 375.266 4.686 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000001149945 203890703 /nfs/dbraw/zinc/89/07/03/203890703.db2.gz FGZVGUTUCHSJOS-UHFFFAOYSA-N 0 0 390.439 4.517 50 0 GJAARN Cc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 ZINC000001255328 203900098 /nfs/dbraw/zinc/90/00/98/203900098.db2.gz RHCIDPXVWZZEMU-UHFFFAOYSA-N 0 0 393.512 4.903 50 0 GJAARN O=C(CSc1ncccc1C(F)(F)F)Nc1ccc(C(F)(F)F)cc1 ZINC000001324121 203900947 /nfs/dbraw/zinc/90/09/47/203900947.db2.gz IMDBSCVAIASEQA-UHFFFAOYSA-N 0 0 380.313 4.850 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Br)c1 ZINC000001302563 203901057 /nfs/dbraw/zinc/90/10/57/203901057.db2.gz HNUXLICNHXVCSB-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN CCOc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000010254585 203903881 /nfs/dbraw/zinc/90/38/81/203903881.db2.gz DGBXMCIJMUCKRR-UHFFFAOYSA-N 0 0 386.879 4.991 50 0 GJAARN COC(=O)c1ccc(COn2nc(-c3ccccc3)c(C)c2-c2ccccc2)cc1 ZINC000001391945 203904972 /nfs/dbraw/zinc/90/49/72/203904972.db2.gz OYNNOJJMGZJHTF-UHFFFAOYSA-N 0 0 398.462 4.941 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000001400129 203906921 /nfs/dbraw/zinc/90/69/21/203906921.db2.gz BMZUXIWMXISGGS-UHFFFAOYSA-N 0 0 387.361 4.559 50 0 GJAARN COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)O1 ZINC000001878644 203921789 /nfs/dbraw/zinc/92/17/89/203921789.db2.gz YKTDXLDIRGWNIY-MKMNVTDBSA-N 0 0 382.630 5.000 50 0 GJAARN Cc1nc2sc3c(c2c2nc(-c4ccc(N(C)C)cc4)nn21)CC[C@@H](C)C3 ZINC000002217655 203931872 /nfs/dbraw/zinc/93/18/72/203931872.db2.gz 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Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146467 204115690 /nfs/dbraw/zinc/11/56/90/204115690.db2.gz YUACMJQHWPGMQR-QGZVFWFLSA-N 0 0 376.500 4.745 50 0 GJAARN Cc1nn2c(nc(C(C)(C)C)cc2NCCCn2ccnc2)c1-c1ccccc1 ZINC000005203455 204119248 /nfs/dbraw/zinc/11/92/48/204119248.db2.gz JLFUEXWZFNTZQF-UHFFFAOYSA-N 0 0 388.519 4.701 50 0 GJAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NCc1cccs1 ZINC000005212834 204119282 /nfs/dbraw/zinc/11/92/82/204119282.db2.gz VUECITBQKCSYPA-UHFFFAOYSA-N 0 0 397.550 4.828 50 0 GJAARN Cc1cccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)Cc2ccccc2)c1 ZINC000005206449 204119815 /nfs/dbraw/zinc/11/98/15/204119815.db2.gz NWFNZVRCTNQQDQ-UHFFFAOYSA-N 0 0 382.463 4.695 50 0 GJAARN COc1ccccc1N1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O ZINC000005275098 204123004 /nfs/dbraw/zinc/12/30/04/204123004.db2.gz CILYJIVNFZLDOT-XNTDXEJSSA-N 0 0 390.258 4.699 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000005333504 204125826 /nfs/dbraw/zinc/12/58/26/204125826.db2.gz 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50 0 GJAARN Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3cccnc3)c2c1 ZINC000005048405 204107521 /nfs/dbraw/zinc/10/75/21/204107521.db2.gz VDAQMFVLBMTARI-UHFFFAOYSA-N 0 0 383.407 4.586 50 0 GJAARN COc1ccc(CNC(=O)CSCc2nc(-c3cccc(C)c3)oc2C)cc1 ZINC000005057646 204107897 /nfs/dbraw/zinc/10/78/97/204107897.db2.gz HVJWVGAHUYOKBO-UHFFFAOYSA-N 0 0 396.512 4.517 50 0 GJAARN O=S(=O)(/C(=C/c1ccccc1F)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000005695945 204147547 /nfs/dbraw/zinc/14/75/47/204147547.db2.gz DKRQNJGUADNBDG-XSFVSMFZSA-N 0 0 378.428 4.674 50 0 GJAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)ccc1Cl ZINC000005861677 204154779 /nfs/dbraw/zinc/15/47/79/204154779.db2.gz GPKFSXVTIBJWKR-UHFFFAOYSA-N 0 0 380.271 4.587 50 0 GJAARN CCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 ZINC000005856414 204154833 /nfs/dbraw/zinc/15/48/33/204154833.db2.gz DODZPWOIMLWLMD-UHFFFAOYSA-N 0 0 375.222 4.614 50 0 GJAARN COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2ccccc2)cc1 ZINC000005934885 204157666 /nfs/dbraw/zinc/15/76/66/204157666.db2.gz 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O=C(CSc1ncnc2sccc21)OCc1csc(-c2ccccc2)n1 ZINC000005563088 204140849 /nfs/dbraw/zinc/14/08/49/204140849.db2.gz QALNYLNAANHIQS-UHFFFAOYSA-N 0 0 399.522 4.650 50 0 GJAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000005574789 204141795 /nfs/dbraw/zinc/14/17/95/204141795.db2.gz KIXFIHREEQQNGS-QFIPXVFZSA-N 0 0 397.430 4.547 50 0 GJAARN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000005632548 204143150 /nfs/dbraw/zinc/14/31/50/204143150.db2.gz XPTJBPANXLZPMG-AWEZNQCLSA-N 0 0 380.394 4.708 50 0 GJAARN c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 ZINC000005603195 204143201 /nfs/dbraw/zinc/14/32/01/204143201.db2.gz WNSLONYGAURLOZ-LJQANCHMSA-N 0 0 376.456 4.662 50 0 GJAARN CCC(CC)NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000005688622 204145559 /nfs/dbraw/zinc/14/55/59/204145559.db2.gz AQFZMJFVYYHBOA-UHFFFAOYSA-N 0 0 398.528 4.527 50 0 GJAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000006779341 204204188 /nfs/dbraw/zinc/20/41/88/204204188.db2.gz 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ZINC000006809644 204211025 /nfs/dbraw/zinc/21/10/25/204211025.db2.gz CMZRWVQDYKGKIR-UHFFFAOYSA-N 0 0 396.395 4.645 50 0 GJAARN Cc1cc2sc(N3CCC[C@H](C(=O)NC4CCCCCC4)C3)nc2c(C)c1 ZINC000006821260 204212781 /nfs/dbraw/zinc/21/27/81/204212781.db2.gz GIZXSKGXGCSVCS-KRWDZBQOSA-N 0 0 385.577 4.969 50 0 GJAARN O=C(Nc1nnc(SCCc2ccccc2)s1)[C@H]1C[C@H]1c1ccccc1 ZINC000006839239 204213412 /nfs/dbraw/zinc/21/34/12/204213412.db2.gz RKGNGIQNSVETST-IRXDYDNUSA-N 0 0 381.526 4.615 50 0 GJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C ZINC000006839368 204213797 /nfs/dbraw/zinc/21/37/97/204213797.db2.gz STDNBTQTKJQMQN-UHFFFAOYSA-N 0 0 394.544 4.646 50 0 GJAARN CCOC(=O)c1cccc(NC(=O)N2C[C@H](CC)Oc3ccc(Cl)cc32)c1 ZINC000006843020 204215510 /nfs/dbraw/zinc/21/55/10/204215510.db2.gz LFSAZZDSENFTJI-INIZCTEOSA-N 0 0 388.851 4.726 50 0 GJAARN CCn1cc(CCC(=O)NCc2ccccc2Br)c2ccccc21 ZINC000006858012 204216152 /nfs/dbraw/zinc/21/61/52/204216152.db2.gz QRIKSJYENFJWTA-UHFFFAOYSA-N 0 0 385.305 4.673 50 0 GJAARN O=c1c2oc3ccccc3c2ncn1CCOc1c(Cl)cccc1Cl ZINC000006850614 204216442 /nfs/dbraw/zinc/21/64/42/204216442.db2.gz KCIJNHGPVWRVLB-UHFFFAOYSA-N 0 0 375.211 4.529 50 0 GJAARN CC(C)C(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000006874572 204217714 /nfs/dbraw/zinc/21/77/14/204217714.db2.gz FZTWJKDVBJPCLX-KRWDZBQOSA-N 0 0 388.870 4.657 50 0 GJAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000006870210 204218043 /nfs/dbraw/zinc/21/80/43/204218043.db2.gz JZZNXGQOIDCVMM-GOSISDBHSA-N 0 0 390.405 4.637 50 0 GJAARN O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000006225125 204171499 /nfs/dbraw/zinc/17/14/99/204171499.db2.gz KGXPZBOHYFGYOM-MRXNPFEDSA-N 0 0 377.897 4.522 50 0 GJAARN COc1ccc(OCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000006218346 204171637 /nfs/dbraw/zinc/17/16/37/204171637.db2.gz MOBWASDCUOQRKY-UHFFFAOYSA-N 0 0 396.424 4.689 50 0 GJAARN COc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c1 ZINC000006248559 204172226 /nfs/dbraw/zinc/17/22/26/204172226.db2.gz 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CCN(C)C(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000037547277 205028843 /nfs/dbraw/zinc/02/88/43/205028843.db2.gz ZMPIZFCLZKAXDM-UHFFFAOYSA-N 0 0 399.441 4.662 50 0 GJAARN CCOC(=O)c1cc(-c2ccc(OC)cc2)c2c(C)nn(-c3ccccc3)c2n1 ZINC000071405461 205029775 /nfs/dbraw/zinc/02/97/75/205029775.db2.gz QRFNZEJAGAHJLO-UHFFFAOYSA-N 0 0 387.439 4.581 50 0 GJAARN Cc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)NC(C)C)c2)cc1 ZINC000037601125 205029890 /nfs/dbraw/zinc/02/98/90/205029890.db2.gz MELNHTLBBGNNIX-UHFFFAOYSA-N 0 0 380.532 4.641 50 0 GJAARN COc1ccc(Oc2cc(N3CCC(Cc4ccccc4)CC3)ncn2)cc1 ZINC000037623666 205030045 /nfs/dbraw/zinc/03/00/45/205030045.db2.gz XVXKXJKEFNZABE-UHFFFAOYSA-N 0 0 375.472 4.737 50 0 GJAARN CCOc1ccccc1NC(=O)N1CCC(COCc2ccc(F)cc2)CC1 ZINC000077191550 205033509 /nfs/dbraw/zinc/03/35/09/205033509.db2.gz JUSSDLCTPYZBIP-UHFFFAOYSA-N 0 0 386.467 4.685 50 0 GJAARN O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1cccnc1 ZINC000077183790 205033872 /nfs/dbraw/zinc/03/38/72/205033872.db2.gz 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ZINC000040067000 205048307 /nfs/dbraw/zinc/04/83/07/205048307.db2.gz APNSJANTPSXMQH-CYBMUJFWSA-N 0 0 376.909 4.799 50 0 GJAARN COCCn1c2ccc(Cl)cc2nc1S[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000040057327 205048419 /nfs/dbraw/zinc/04/84/19/205048419.db2.gz QSHCKBZNRYWMSP-NSHDSACASA-N 0 0 394.928 4.870 50 0 GJAARN Cc1[nH]c(=S)sc1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000040072297 205050247 /nfs/dbraw/zinc/05/02/47/205050247.db2.gz CQQNDGRZTCXSFA-UHFFFAOYSA-N 0 0 388.489 4.640 50 0 GJAARN CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000040104455 205052988 /nfs/dbraw/zinc/05/29/88/205052988.db2.gz ZXWPQYHLHSJFQL-UHFFFAOYSA-N 0 0 381.407 4.725 50 0 GJAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000040134790 205056508 /nfs/dbraw/zinc/05/65/08/205056508.db2.gz XOZLFYDLXAHMJZ-QFIPXVFZSA-N 0 0 383.451 4.907 50 0 GJAARN Cc1csc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000040146690 205058176 /nfs/dbraw/zinc/05/81/76/205058176.db2.gz CENMQDWVBQFWNU-UHFFFAOYSA-N 0 0 376.528 4.712 50 0 GJAARN O=C1C[C@@H](c2ccc(O)cc2)c2ncn(-c3ccc(OC(F)(F)F)cc3)c2N1 ZINC000040286024 205061308 /nfs/dbraw/zinc/06/13/08/205061308.db2.gz XUAXOPKVNFXPQF-HNNXBMFYSA-N 0 0 389.333 4.600 50 0 GJAARN Cc1nc(Cl)c(N)c(Oc2cc(-c3ccccc3)nn2-c2cccc(F)c2)n1 ZINC000040428564 205064854 /nfs/dbraw/zinc/06/48/54/205064854.db2.gz CTWLSPHLRITWIN-UHFFFAOYSA-N 0 0 395.825 4.805 50 0 GJAARN CC(C)CC(=O)C[C@@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 ZINC000044126703 205084914 /nfs/dbraw/zinc/08/49/14/205084914.db2.gz OHYZKVRPGYYMCC-GOSISDBHSA-N 0 0 393.874 4.990 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1 ZINC000044086325 205084988 /nfs/dbraw/zinc/08/49/88/205084988.db2.gz NQPARTJARSWKCX-FQEVSTJZSA-N 0 0 392.459 4.894 50 0 GJAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000044814017 205087020 /nfs/dbraw/zinc/08/70/20/205087020.db2.gz KQSQNQFDIBCZLH-HXUWFJFHSA-N 0 0 378.516 4.665 50 0 GJAARN CSc1cccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)c1 ZINC000041076972 205076947 /nfs/dbraw/zinc/07/69/47/205076947.db2.gz UXNURFGWEAVJDA-UHFFFAOYSA-N 0 0 395.528 4.940 50 0 GJAARN C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(SCc2cccnc2)cc1 ZINC000047189280 205109526 /nfs/dbraw/zinc/10/95/26/205109526.db2.gz TWHCPDGOMUETSK-LAUBAEHRSA-N 0 0 384.545 4.699 50 0 GJAARN CC(C)n1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c2ccccc2c1=O ZINC000048234917 205114305 /nfs/dbraw/zinc/11/43/05/205114305.db2.gz RJKRZEDUXUNEJW-UHFFFAOYSA-N 0 0 398.466 4.973 50 0 GJAARN O=C(NCc1cn2cc(Cl)ccc2n1)c1ccccc1Nc1ccccc1 ZINC000048253727 205115828 /nfs/dbraw/zinc/11/58/28/205115828.db2.gz FPPVINYXNWWXIS-UHFFFAOYSA-N 0 0 376.847 4.661 50 0 GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC(F)(F)F)cc1 ZINC000049004486 205123797 /nfs/dbraw/zinc/12/37/97/205123797.db2.gz FLJRLUYXJFUBQJ-UHFFFAOYSA-N 0 0 391.349 4.757 50 0 GJAARN COc1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005250 205124219 /nfs/dbraw/zinc/12/42/19/205124219.db2.gz UPCHZVONYWGSAC-INIZCTEOSA-N 0 0 390.487 4.705 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2C)nc(-c2ccc(Cl)cc2)n1 ZINC000049006988 205124284 /nfs/dbraw/zinc/12/42/84/205124284.db2.gz UQSGZVVOQYXVPU-UHFFFAOYSA-N 0 0 385.826 4.570 50 0 GJAARN COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000045928109 205099452 /nfs/dbraw/zinc/09/94/52/205099452.db2.gz AUKOITZWDIOFMH-QFIPXVFZSA-N 0 0 389.426 4.887 50 0 GJAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1 ZINC000045943199 205100815 /nfs/dbraw/zinc/10/08/15/205100815.db2.gz XUIACYAIEBKLRY-UHFFFAOYSA-N 0 0 389.274 4.835 50 0 GJAARN Clc1ccc(Cc2nc3nc4c(c(Nc5ccccc5)n3n2)CCC4)cc1 ZINC000046022900 205101104 /nfs/dbraw/zinc/10/11/04/205101104.db2.gz CRFDTOMCJKNLJB-UHFFFAOYSA-N 0 0 375.863 4.601 50 0 GJAARN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)cc1 ZINC000046012666 205101299 /nfs/dbraw/zinc/10/12/99/205101299.db2.gz AKPBLZLJVYETOJ-UHFFFAOYSA-N 0 0 398.466 4.894 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1 ZINC000046044943 205103357 /nfs/dbraw/zinc/10/33/57/205103357.db2.gz QOBVVNWKMWBSFG-KRWDZBQOSA-N 0 0 386.442 4.579 50 0 GJAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(F)c(OC)c1)NC2 ZINC000055028084 205141408 /nfs/dbraw/zinc/14/14/08/205141408.db2.gz AGRIWUOLHCLZRR-HSZRJFAPSA-N 0 0 396.462 4.615 50 0 GJAARN COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OCCCn1ccnc1 ZINC000055227668 205144865 /nfs/dbraw/zinc/14/48/65/205144865.db2.gz ILULDYBZLLMUAT-UHFFFAOYSA-N 0 0 376.460 4.521 50 0 GJAARN CCCNC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000056150623 205152187 /nfs/dbraw/zinc/15/21/87/205152187.db2.gz JZZGCDMCHLQISU-UHFFFAOYSA-N 0 0 384.785 4.751 50 0 GJAARN CC(=O)c1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000057273928 205155053 /nfs/dbraw/zinc/15/50/53/205155053.db2.gz QNKLLSFLQURNAM-QHCPKHFHSA-N 0 0 392.886 4.860 50 0 GJAARN C[C@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000057358780 205156203 /nfs/dbraw/zinc/15/62/03/205156203.db2.gz OZTYMLZXSCXFTG-CYBMUJFWSA-N 0 0 386.908 4.637 50 0 GJAARN CSc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000057427605 205157322 /nfs/dbraw/zinc/15/73/22/205157322.db2.gz HKSWJESRAOVJKD-UHFFFAOYSA-N 0 0 379.529 4.913 50 0 GJAARN CCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@H]3C)c2C)cn1 ZINC000063847796 205186801 /nfs/dbraw/zinc/18/68/01/205186801.db2.gz IVCPEXJDFQMRCA-MRXNPFEDSA-N 0 0 376.504 4.750 50 0 GJAARN CC(C)n1cc(-c2cc(C(=O)N3CCC(C)(C)C3)c3ccc(F)cc3n2)cn1 ZINC000063848146 205187037 /nfs/dbraw/zinc/18/70/37/205187037.db2.gz GNEGCQJVCLOVJX-UHFFFAOYSA-N 0 0 380.467 4.690 50 0 GJAARN COc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000058165246 205165864 /nfs/dbraw/zinc/16/58/64/205165864.db2.gz WJYTWBIDZCMXIR-KRWDZBQOSA-N 0 0 376.456 4.777 50 0 GJAARN COc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1OC(F)F ZINC000058195739 205166945 /nfs/dbraw/zinc/16/69/45/205166945.db2.gz ABLAEQKJPZHGEN-SFHVURJKSA-N 0 0 392.446 4.883 50 0 GJAARN O=C1OCC(c2ccc3c(c2)OCCCO3)=C1c1ccc(Cl)c(Cl)c1 ZINC000058248102 205170777 /nfs/dbraw/zinc/17/07/77/205170777.db2.gz ZRAVPFSDWNBNOO-UHFFFAOYSA-N 0 0 377.223 4.622 50 0 GJAARN O=C(Nc1cc(NC(=O)N2CCc3ccccc3C2)ccc1F)C1CCCCC1 ZINC000058289390 205171486 /nfs/dbraw/zinc/17/14/86/205171486.db2.gz XXOKGJYNKJCMGG-UHFFFAOYSA-N 0 0 395.478 4.935 50 0 GJAARN Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000058356467 205172806 /nfs/dbraw/zinc/17/28/06/205172806.db2.gz BMHGFBAOSMFTHG-CVTTXWKISA-N 0 0 375.875 4.582 50 0 GJAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000058394227 205174386 /nfs/dbraw/zinc/17/43/86/205174386.db2.gz QKOUFPSAGPMWPR-UHFFFAOYSA-N 0 0 392.406 4.574 50 0 GJAARN COc1cc(CN2CCC[C@H]2c2ccc(O)cc2)cc(Br)c1OC ZINC000058421340 205174771 /nfs/dbraw/zinc/17/47/71/205174771.db2.gz FXYLUCZLGOUACZ-KRWDZBQOSA-N 0 0 392.293 4.509 50 0 GJAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnn(-c2ccccc2F)c1 ZINC000058641493 205176561 /nfs/dbraw/zinc/17/65/61/205176561.db2.gz WBTDABAZLGSPOC-UHFFFAOYSA-N 0 0 382.395 4.526 50 0 GJAARN Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(O)c1 ZINC000058433220 205177070 /nfs/dbraw/zinc/17/70/70/205177070.db2.gz LVYGWMVACVNNOY-UHFFFAOYSA-N 0 0 391.452 4.781 50 0 GJAARN CCOc1cc2c(cc1NC(=O)c1ccn(-c3cccc(Cl)c3)n1)O[C@H](C)C2 ZINC000059851206 205180455 /nfs/dbraw/zinc/18/04/55/205180455.db2.gz LFOBBDUYSZCKTE-CYBMUJFWSA-N 0 0 397.862 4.500 50 0 GJAARN CCCn1c(=O)c(C)nc2cc(-c3noc(-c4ccc(F)c(Cl)c4)n3)ccc21 ZINC000064890469 205199965 /nfs/dbraw/zinc/19/99/65/205199965.db2.gz URLRPVJSSDYZLH-UHFFFAOYSA-N 0 0 398.825 4.624 50 0 GJAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCc4ccccc4Cl)cc32)cc1 ZINC000064955906 205201753 /nfs/dbraw/zinc/20/17/53/205201753.db2.gz QGZUTMNJNQERQX-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN CC(C)Cn1cc(C(=O)Oc2cccc(C(F)(F)F)c2)c2ccccc2c1=O ZINC000064977253 205203268 /nfs/dbraw/zinc/20/32/68/205203268.db2.gz UGPIKBNOYLCKEF-UHFFFAOYSA-N 0 0 389.373 4.896 50 0 GJAARN CCCn1cc(-c2nc(-c3ccccc3OCC)no2)c(=O)c2ccccc21 ZINC000064963676 205203362 /nfs/dbraw/zinc/20/33/62/205203362.db2.gz YTNYMSUZGGHDBT-UHFFFAOYSA-N 0 0 375.428 4.527 50 0 GJAARN Cc1cccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064989863 205204148 /nfs/dbraw/zinc/20/41/48/205204148.db2.gz NCBNPMJGBMSKPX-GOSISDBHSA-N 0 0 384.479 4.516 50 0 GJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4C)cc32)cc1 ZINC000064990314 205204450 /nfs/dbraw/zinc/20/44/50/205204450.db2.gz QLWOSDDEPXDJCK-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN Cc1ccc(Cn2nnc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)cc1 ZINC000065030461 205207013 /nfs/dbraw/zinc/20/70/13/205207013.db2.gz KVEOEEZRJPRGOU-UHFFFAOYSA-N 0 0 376.847 4.694 50 0 GJAARN Cc1ccc(C(=O)Nc2ccccc2Oc2nc3ccccc3n3cnnc23)cc1 ZINC000065096511 205210454 /nfs/dbraw/zinc/21/04/54/205210454.db2.gz LUZMKLUQOGFHDL-UHFFFAOYSA-N 0 0 395.422 4.631 50 0 GJAARN CCc1nnc2c(Oc3ccc(NC(=O)C(C)(C)C)cc3)nc3ccccc3n12 ZINC000065096389 205210806 /nfs/dbraw/zinc/21/08/06/205210806.db2.gz MGPZZTAIJSCUMC-UHFFFAOYSA-N 0 0 389.459 4.617 50 0 GJAARN CCOc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc32)cc1 ZINC000065114411 205211043 /nfs/dbraw/zinc/21/10/43/205211043.db2.gz BPTRNYMVEBEOTH-UHFFFAOYSA-N 0 0 390.487 4.707 50 0 GJAARN CC(C)Oc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1 ZINC000065118588 205212114 /nfs/dbraw/zinc/21/21/14/205212114.db2.gz CACMCDHFGGTGBZ-UHFFFAOYSA-N 0 0 383.517 4.774 50 0 GJAARN O=C(c1c(F)cccc1Cl)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135225 205212405 /nfs/dbraw/zinc/21/24/05/205212405.db2.gz ZXWBWHSYVYWPGP-MRXNPFEDSA-N 0 0 395.865 4.956 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)c(C)s2)cs1 ZINC000065138156 205213197 /nfs/dbraw/zinc/21/31/97/205213197.db2.gz DWYPPBRKLPZPQJ-UHFFFAOYSA-N 0 0 382.507 4.737 50 0 GJAARN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc1 ZINC000065148127 205213731 /nfs/dbraw/zinc/21/37/31/205213731.db2.gz AKNPFDSEKBDSKS-SFHVURJKSA-N 0 0 390.462 4.688 50 0 GJAARN CC(C)Cn1cc(CCNC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc21 ZINC000065163945 205214092 /nfs/dbraw/zinc/21/40/92/205214092.db2.gz DTGTXYOMTQDOBA-UHFFFAOYSA-N 0 0 377.532 4.962 50 0 GJAARN CC[C@@H](NC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1)c1cccs1 ZINC000065171680 205215234 /nfs/dbraw/zinc/21/52/34/205215234.db2.gz UYDGSFWOJDOUNR-GOSISDBHSA-N 0 0 392.528 4.686 50 0 GJAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)NCc2cccc(C)c2)c1 ZINC000065172771 205215850 /nfs/dbraw/zinc/21/58/50/205215850.db2.gz WWUSGHJNYBATTA-UHFFFAOYSA-N 0 0 384.483 4.747 50 0 GJAARN CCC[C@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)C1 ZINC000063883894 205188816 /nfs/dbraw/zinc/18/88/16/205188816.db2.gz GGPTWGWAGVHYJI-KRWDZBQOSA-N 0 0 376.504 4.514 50 0 GJAARN CCN(C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2ccc(F)cc21)C(C)C ZINC000063883566 205189014 /nfs/dbraw/zinc/18/90/14/205189014.db2.gz OPDWWFLJGZWEMA-UHFFFAOYSA-N 0 0 380.467 4.825 50 0 GJAARN Cc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 ZINC000064656980 205191834 /nfs/dbraw/zinc/19/18/34/205191834.db2.gz AVGIRNGONONDFX-KRWDZBQOSA-N 0 0 397.521 4.672 50 0 GJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)cc1 ZINC000064747679 205193582 /nfs/dbraw/zinc/19/35/82/205193582.db2.gz WXEFDNIATYQYKV-SFHVURJKSA-N 0 0 398.413 4.946 50 0 GJAARN O=C(C1CCCCC1)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747140 205194102 /nfs/dbraw/zinc/19/41/02/205194102.db2.gz NMFYEYRWKPTORS-INIZCTEOSA-N 0 0 393.409 4.999 50 0 GJAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)cc1C ZINC000064839949 205196425 /nfs/dbraw/zinc/19/64/25/205196425.db2.gz KDCZGOKKUFMZDW-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)CN1c2ccc(Cl)cc2C(C)(C)C1=O ZINC000064845984 205198338 /nfs/dbraw/zinc/19/83/38/205198338.db2.gz JTZSFIFNXBFYLR-UHFFFAOYSA-N 0 0 377.271 4.565 50 0 GJAARN C[C@@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847583 205198419 /nfs/dbraw/zinc/19/84/19/205198419.db2.gz BYBBTXPQLJOCPZ-OAHLLOKOSA-N 0 0 385.895 4.859 50 0 GJAARN CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067296257 205245139 /nfs/dbraw/zinc/24/51/39/205245139.db2.gz XIDUTVWFRFVMBL-BZZOAKBMSA-N 0 0 385.423 4.711 50 0 GJAARN COc1ccccc1CNc1c(-c2nc(C(C)C)no2)cnc2nc(C)ccc21 ZINC000065250645 205223936 /nfs/dbraw/zinc/22/39/36/205223936.db2.gz 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COc1ccc(Cl)cc1CN(C)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101358003 205621017 /nfs/dbraw/zinc/62/10/17/205621017.db2.gz PNZLQHBZRCNPBX-QFIPXVFZSA-N 0 0 392.886 4.874 50 0 GJAARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)nc(-c2cccnc2)n1 ZINC000049007074 205667763 /nfs/dbraw/zinc/66/77/63/205667763.db2.gz HUTOIIOXOLWAQU-UHFFFAOYSA-N 0 0 384.892 4.540 50 0 GJAARN CCc1noc(CNc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)n1 ZINC000113252055 205671115 /nfs/dbraw/zinc/67/11/15/205671115.db2.gz LNWAXYBBDFNZRG-UHFFFAOYSA-N 0 0 382.317 4.589 50 0 GJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(SC)cc3)n2)c1 ZINC000005222814 205765656 /nfs/dbraw/zinc/76/56/56/205765656.db2.gz UCQIYAUIDTYRIP-UHFFFAOYSA-N 0 0 386.498 4.802 50 0 GJAARN COCCc1ccc(OS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cc1 ZINC000021168340 211743054 /nfs/dbraw/zinc/74/30/54/211743054.db2.gz IIZGXAVHYVKWDF-UHFFFAOYSA-N 0 0 389.300 4.567 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000173014592 205803986 /nfs/dbraw/zinc/80/39/86/205803986.db2.gz 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COc1cccc(CC(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1 ZINC000068339503 211033772 /nfs/dbraw/zinc/03/37/72/211033772.db2.gz RVVYNPGGXLXMHD-NRFANRHFSA-N 0 0 393.462 4.521 50 0 GJAARN O=C(CCC1CC1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067934891 211029928 /nfs/dbraw/zinc/02/99/28/211029928.db2.gz VQVLTAILYDTFNI-UHFFFAOYSA-N 0 0 394.496 4.580 50 0 GJAARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 ZINC000067805789 211023414 /nfs/dbraw/zinc/02/34/14/211023414.db2.gz WMMBGWBGUGYVNF-LJQANCHMSA-N 0 0 384.483 4.886 50 0 GJAARN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)Nc2ccccc2)CCO3)s1 ZINC000067921421 211029598 /nfs/dbraw/zinc/02/95/98/211029598.db2.gz RCEQSXVZTZZYFJ-UHFFFAOYSA-N 0 0 380.469 4.856 50 0 GJAARN CN(Cc1cc(-c2ccccc2)no1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000067919590 211029037 /nfs/dbraw/zinc/02/90/37/211029037.db2.gz BIWTXYUFQYBHOS-UHFFFAOYSA-N 0 0 380.835 4.677 50 0 GJAARN CC[C@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000067934700 211029178 /nfs/dbraw/zinc/02/91/78/211029178.db2.gz FWKLCKJZVGHDKF-GOSISDBHSA-N 0 0 394.475 4.820 50 0 GJAARN CCCn1ccnc1-c1c(-c2ccccc2)ncn1CCCc1c(C)n[nH]c1C ZINC000067868009 211026923 /nfs/dbraw/zinc/02/69/23/211026923.db2.gz KTKDCLZFQLACOH-UHFFFAOYSA-N 0 0 388.519 4.796 50 0 GJAARN Cc1ccc(C)c(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1 ZINC000067850076 211024797 /nfs/dbraw/zinc/02/47/97/211024797.db2.gz JYYCOFDRXVKURT-UHFFFAOYSA-N 0 0 376.504 4.505 50 0 GJAARN COC[C@@H]1CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)nc2)C1 ZINC000067688707 211017682 /nfs/dbraw/zinc/01/76/82/211017682.db2.gz ZGXQJBPANXMIRJ-CYBMUJFWSA-N 0 0 379.287 4.554 50 0 GJAARN O=C([C@H]1CC=CCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067541708 211011198 /nfs/dbraw/zinc/01/11/98/211011198.db2.gz CNJFYFXLJUNGDQ-HNNXBMFYSA-N 0 0 383.875 4.790 50 0 GJAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc(C(C)C)ncn1)CCO2 ZINC000067654900 211014078 /nfs/dbraw/zinc/01/40/78/211014078.db2.gz XGDNPMLWUSZCCU-UHFFFAOYSA-N 0 0 375.472 4.680 50 0 GJAARN C=Cc1ccc(Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000067258324 211005164 /nfs/dbraw/zinc/00/51/64/211005164.db2.gz RENSHSKZEWECKU-UHFFFAOYSA-N 0 0 394.883 4.559 50 0 GJAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccccn1 ZINC000067259363 211004656 /nfs/dbraw/zinc/00/46/56/211004656.db2.gz MGIPBGAYFWLWGO-UHFFFAOYSA-N 0 0 393.899 4.786 50 0 GJAARN O=C(c1ccccc1F)N1CCC[C@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148399 210969245 /nfs/dbraw/zinc/96/92/45/210969245.db2.gz IVURQVHCWMWKFQ-HNNXBMFYSA-N 0 0 394.425 4.518 50 0 GJAARN COc1cccc(C(=O)Nc2ccsc2-c2nc(-c3cccc(F)c3)no2)c1 ZINC000065219334 210977165 /nfs/dbraw/zinc/97/71/65/210977165.db2.gz DRWOYZNQFWUSAB-UHFFFAOYSA-N 0 0 395.415 4.865 50 0 GJAARN CSc1cccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccccc2C)c1 ZINC000065030294 210961988 /nfs/dbraw/zinc/96/19/88/210961988.db2.gz IRECSZDANOJEQG-UHFFFAOYSA-N 0 0 388.496 4.762 50 0 GJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)CCC3CCCC3)cc21 ZINC000064990013 210958674 /nfs/dbraw/zinc/95/86/74/210958674.db2.gz CTFABIRLCMCAKM-UHFFFAOYSA-N 0 0 390.527 4.785 50 0 GJAARN O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000058191491 210911817 /nfs/dbraw/zinc/91/18/17/210911817.db2.gz MPKIEWWLYGVKSP-UHFFFAOYSA-N 0 0 383.451 4.637 50 0 GJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@@H](C)CC1 ZINC000058430101 210920105 /nfs/dbraw/zinc/92/01/05/210920105.db2.gz RKZOQUYNUPREMP-CQSZACIVSA-N 0 0 393.453 4.699 50 0 GJAARN O=C(N[C@@H]1CCc2ccccc21)c1cccnc1SCc1ccc(F)cc1 ZINC000058393050 210919534 /nfs/dbraw/zinc/91/95/34/210919534.db2.gz LOYLOFDVENWMPV-HXUWFJFHSA-N 0 0 378.472 4.930 50 0 GJAARN CCc1cccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 ZINC000052712828 210870872 /nfs/dbraw/zinc/87/08/72/210870872.db2.gz ULUUZMFFZRVUIM-UHFFFAOYSA-N 0 0 395.768 4.654 50 0 GJAARN CCCCOC(=O)c1nc2ccccc2nc1NCCc1ccc(Cl)cc1 ZINC000046141169 210835107 /nfs/dbraw/zinc/83/51/07/210835107.db2.gz UIFNPDLVKBONSO-UHFFFAOYSA-N 0 0 383.879 4.895 50 0 GJAARN CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c1C ZINC000044901887 210817887 /nfs/dbraw/zinc/81/78/87/210817887.db2.gz ZQGZKQJYCZMVFM-UHFFFAOYSA-N 0 0 396.491 4.976 50 0 GJAARN Cc1cccc(OCCNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c1C ZINC000041156701 210799341 /nfs/dbraw/zinc/79/93/41/210799341.db2.gz KWOIZXOKKAVWMC-UHFFFAOYSA-N 0 0 390.483 4.646 50 0 GJAARN Clc1ccc2oc(C3CCN(Cc4nc(-c5ccco5)no4)CC3)nc2c1 ZINC000042742667 210804105 /nfs/dbraw/zinc/80/41/05/210804105.db2.gz KTZIRLGOMYATGW-UHFFFAOYSA-N 0 0 384.823 4.504 50 0 GJAARN COc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000040485786 210788376 /nfs/dbraw/zinc/78/83/76/210788376.db2.gz CYSMWOJPXDOLOS-OAQYLSRUSA-N 0 0 375.399 4.892 50 0 GJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040485960 210788071 /nfs/dbraw/zinc/78/80/71/210788071.db2.gz SGQFHTLEQSMMAS-HXUWFJFHSA-N 0 0 395.842 4.994 50 0 GJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)NCc2cccc(OC)c2)cc1 ZINC000040150010 210779528 /nfs/dbraw/zinc/77/95/28/210779528.db2.gz MZODUWYRJCUVOY-UHFFFAOYSA-N 0 0 389.499 4.565 50 0 GJAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1csc(Br)c1 ZINC000040110606 210773363 /nfs/dbraw/zinc/77/33/63/210773363.db2.gz ZTULEQLCSCTFFM-UHFFFAOYSA-N 0 0 389.274 4.628 50 0 GJAARN CCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(Cl)c1 ZINC000037542673 210742817 /nfs/dbraw/zinc/74/28/17/210742817.db2.gz ILDLCKHPKDQWHI-UHFFFAOYSA-N 0 0 397.725 4.917 50 0 GJAARN Cc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(C)cc2)s1 ZINC000037541362 210741357 /nfs/dbraw/zinc/74/13/57/210741357.db2.gz WHNLGDCJLFROIJ-UHFFFAOYSA-N 0 0 375.497 4.693 50 0 GJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccc(C)c(F)c2)cc1 ZINC000036246010 210713838 /nfs/dbraw/zinc/71/38/38/210713838.db2.gz XTFKEVKFVAUVHU-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN COc1ccc(CCC(=O)Nc2cc(-c3noc(C4CC4)n3)sc2C)cc1 ZINC000035554958 210691282 /nfs/dbraw/zinc/69/12/82/210691282.db2.gz PJCHXISGNFPFPK-UHFFFAOYSA-N 0 0 383.473 4.564 50 0 GJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1c(OC)cccc1OC ZINC000034794817 210666415 /nfs/dbraw/zinc/66/64/15/210666415.db2.gz IFWZNPMTQVEMSS-UHFFFAOYSA-N 0 0 379.460 4.525 50 0 GJAARN O=C(NC1CC1)c1csc(-c2ccccc2OCc2ccc(F)cc2F)n1 ZINC000034714190 210663821 /nfs/dbraw/zinc/66/38/21/210663821.db2.gz XEQPAMFTTUUBJJ-UHFFFAOYSA-N 0 0 386.423 4.560 50 0 GJAARN Cc1cccc(COc2ccc(-c3nc(C(=O)N4CCCC4)cs3)cc2)c1 ZINC000034711828 210663869 /nfs/dbraw/zinc/66/38/69/210663869.db2.gz LFTBKTHBINRAHW-UHFFFAOYSA-N 0 0 378.497 4.934 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000034152748 210656462 /nfs/dbraw/zinc/65/64/62/210656462.db2.gz XCLXGCQTGNGHJQ-SNVBAGLBSA-N 0 0 389.757 4.877 50 0 GJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290037 210638093 /nfs/dbraw/zinc/63/80/93/210638093.db2.gz RBQDAYSSZVHLHC-CQSZACIVSA-N 0 0 384.592 4.750 50 0 GJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000033270472 210635978 /nfs/dbraw/zinc/63/59/78/210635978.db2.gz SQFYREWFLAAXSY-IBGZPJMESA-N 0 0 376.522 4.522 50 0 GJAARN O=C(Nc1ccccc1F)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033252423 210630765 /nfs/dbraw/zinc/63/07/65/210630765.db2.gz CTWJUYFJWKGDKL-UHFFFAOYSA-N 0 0 377.350 4.934 50 0 GJAARN Cc1cc(C)cc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c1 ZINC000033172631 210630891 /nfs/dbraw/zinc/63/08/91/210630891.db2.gz NLUPUMMYMZFWNG-UHFFFAOYSA-N 0 0 380.448 4.598 50 0 GJAARN CC(C)CCNC(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1 ZINC000033068812 210620867 /nfs/dbraw/zinc/62/08/67/210620867.db2.gz WPAOCCCUGRFUQN-UHFFFAOYSA-N 0 0 397.519 4.614 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1ccc2sc(NC(=O)CC)nc2c1 ZINC000033129409 210626735 /nfs/dbraw/zinc/62/67/35/210626735.db2.gz JOAFDFSFTKYFAF-UHFFFAOYSA-N 0 0 384.461 4.688 50 0 GJAARN O=C(CCC(=O)N1CCC[C@@H]1c1cccs1)c1ccc(Br)cc1 ZINC000032988700 210610718 /nfs/dbraw/zinc/61/07/18/210610718.db2.gz HVBGZOKICYBTEP-OAHLLOKOSA-N 0 0 392.318 4.837 50 0 GJAARN CCOc1cc(CN(CC)C(=O)COc2ccc(Cl)cc2Cl)ccc1O ZINC000032916004 210602644 /nfs/dbraw/zinc/60/26/44/210602644.db2.gz BRYDQSGCTITZLL-UHFFFAOYSA-N 0 0 398.286 4.525 50 0 GJAARN COc1ccc(Cc2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1OC ZINC000032899497 210599175 /nfs/dbraw/zinc/59/91/75/210599175.db2.gz QMUDUJFXAIJYKK-UHFFFAOYSA-N 0 0 394.496 4.545 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)c2c1C ZINC000032960209 210608124 /nfs/dbraw/zinc/60/81/24/210608124.db2.gz HKIQWJRCKSYAOG-OAHLLOKOSA-N 0 0 398.894 4.657 50 0 GJAARN COc1ccc(NC(=O)Cc2ccccc2Cl)cc1OCc1cccnc1 ZINC000032832214 210593057 /nfs/dbraw/zinc/59/30/57/210593057.db2.gz AWPIPLABTMHIDS-UHFFFAOYSA-N 0 0 382.847 4.504 50 0 GJAARN CSc1nc2ccc(NC(=O)c3ccn(-c4ccc(F)cc4)n3)cc2s1 ZINC000031489600 210563437 /nfs/dbraw/zinc/56/34/37/210563437.db2.gz RCRJONADDXQBCJ-UHFFFAOYSA-N 0 0 384.461 4.595 50 0 GJAARN COc1ccc2c(c1)CCCN2C(=O)CSc1ccccc1Br ZINC000029526270 210548351 /nfs/dbraw/zinc/54/83/51/210548351.db2.gz SZVZXOCMDZAYMT-UHFFFAOYSA-N 0 0 392.318 4.529 50 0 GJAARN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 ZINC000027990437 210519482 /nfs/dbraw/zinc/51/94/82/210519482.db2.gz NTINUEMIZMXSGE-GOSISDBHSA-N 0 0 394.540 4.862 50 0 GJAARN COc1ccc(OC)c(NC(=O)CCSc2ccccc2Br)c1 ZINC000040106593 210526129 /nfs/dbraw/zinc/52/61/29/210526129.db2.gz JUKOEBZUAFKHMD-UHFFFAOYSA-N 0 0 396.306 4.587 50 0 GJAARN Cn1cc(CC(=O)OCc2cc(-c3ccc(Cl)cc3)on2)c2ccccc21 ZINC000038765844 210506145 /nfs/dbraw/zinc/50/61/45/210506145.db2.gz XFZVBQJYMPUXGR-UHFFFAOYSA-N 0 0 380.831 4.773 50 0 GJAARN O=C(Cc1noc2ccccc21)Nc1ccccc1N1CCc2ccccc2C1 ZINC000025799747 210486277 /nfs/dbraw/zinc/48/62/77/210486277.db2.gz LWIMPQYEDMYQLP-UHFFFAOYSA-N 0 0 383.451 4.572 50 0 GJAARN CCn1cnnc1-c1cccc(NC(=O)c2oc3ccccc3c2CSC)c1 ZINC000024581242 210465029 /nfs/dbraw/zinc/46/50/29/210465029.db2.gz VLUSBAKQGCFJGC-UHFFFAOYSA-N 0 0 392.484 4.827 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2cc(OC)cc(OC)c2)cc1 ZINC000024393328 210463312 /nfs/dbraw/zinc/46/33/12/210463312.db2.gz NUGUDGRAOKYKTM-QHCPKHFHSA-N 0 0 397.515 4.789 50 0 GJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(F)c1 ZINC000023323066 210441151 /nfs/dbraw/zinc/44/11/51/210441151.db2.gz ZYGKTMYIRWBVBJ-UHFFFAOYSA-N 0 0 383.444 4.907 50 0 GJAARN C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000023328650 210440397 /nfs/dbraw/zinc/44/03/97/210440397.db2.gz CZYIOLILYNCXJK-OAHLLOKOSA-N 0 0 387.395 4.842 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC[C@@H](C)C2)cc1 ZINC000022573720 210417062 /nfs/dbraw/zinc/41/70/62/210417062.db2.gz SLVSZINKWUVDLV-GOSISDBHSA-N 0 0 394.540 4.921 50 0 GJAARN COCCN(C(=O)c1cc2c(cccc2F)s1)c1nc2ccccc2s1 ZINC000023042398 210432596 /nfs/dbraw/zinc/43/25/96/210432596.db2.gz CPWNZGIMGMFSBR-UHFFFAOYSA-N 0 0 386.473 4.943 50 0 GJAARN CCOc1ccc(Nc2nc3c(ncn3-c3ccc(OCC)cc3)c(C)n2)cc1 ZINC000021777030 210393413 /nfs/dbraw/zinc/39/34/13/210393413.db2.gz SFQNXZIBTLUONT-UHFFFAOYSA-N 0 0 389.459 4.665 50 0 GJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1 ZINC000021786976 210392676 /nfs/dbraw/zinc/39/26/76/210392676.db2.gz JZEHNWDMEGZVGL-QFIPXVFZSA-N 0 0 391.515 4.969 50 0 GJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1F ZINC000021721014 210391871 /nfs/dbraw/zinc/39/18/71/210391871.db2.gz XAVHGVQUQXEIEG-AWEZNQCLSA-N 0 0 396.260 4.816 50 0 GJAARN CCOc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720003 210391126 /nfs/dbraw/zinc/39/11/26/210391126.db2.gz LRTOTJHXXZKHOO-HXUWFJFHSA-N 0 0 380.492 4.924 50 0 GJAARN O=C(CSc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000021715670 210390909 /nfs/dbraw/zinc/39/09/09/210390909.db2.gz BGUUSRJQMVBXRD-DEOSSOPVSA-N 0 0 399.519 4.829 50 0 GJAARN Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000021663231 210389852 /nfs/dbraw/zinc/38/98/52/210389852.db2.gz LOSQCCKDNUMAAB-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN CCOc1ccc(NC(=O)c2ccc(-c3ncccc3NC(=O)CC)cc2)cc1 ZINC000021708488 210389695 /nfs/dbraw/zinc/38/96/95/210389695.db2.gz HZYFWRZYZOEOKI-UHFFFAOYSA-N 0 0 389.455 4.748 50 0 GJAARN O=C(NCc1ccc(F)cc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000021705515 210388827 /nfs/dbraw/zinc/38/88/27/210388827.db2.gz RXDSMISRULYRRK-UHFFFAOYSA-N 0 0 388.402 4.864 50 0 GJAARN COc1cccc(-n2c(C)c(C)c3c4nc(-c5ccccc5C)nn4cnc32)c1 ZINC000021801268 210393528 /nfs/dbraw/zinc/39/35/28/210393528.db2.gz JSTUOLNQKFMZEZ-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN Cc1cccc(Cc2cnc(NC(=O)c3cc4ccccc4c(=O)s3)s2)c1 ZINC000021151200 210378515 /nfs/dbraw/zinc/37/85/15/210378515.db2.gz RSOFRDBLSPEITN-UHFFFAOYSA-N 0 0 392.505 4.870 50 0 GJAARN Cn1c(CNC(=O)CC2c3ccccc3Oc3ccccc32)nc2ccccc21 ZINC000021523510 210383335 /nfs/dbraw/zinc/38/33/35/210383335.db2.gz FWNDLYWNKQDFCE-UHFFFAOYSA-N 0 0 383.451 4.517 50 0 GJAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1 ZINC000021525211 210382893 /nfs/dbraw/zinc/38/28/93/210382893.db2.gz OWHWRVVJBZNBRV-OAQYLSRUSA-N 0 0 393.512 4.663 50 0 GJAARN CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021177290 210380238 /nfs/dbraw/zinc/38/02/38/210380238.db2.gz XKNVADKQCCRIDN-MRXNPFEDSA-N 0 0 388.496 4.827 50 0 GJAARN O=C(OC/C=C/c1ccccc1)c1cccc(C(=O)OC/C=C/c2ccccc2)n1 ZINC000021178420 210379895 /nfs/dbraw/zinc/37/98/95/210379895.db2.gz VBCDDAIYVZPEJW-VOMDNODZSA-N 0 0 399.446 4.822 50 0 GJAARN COc1ccc(CNC(=O)c2ccc(N3c4ccccc4C[C@@H]3C)s2)cc1 ZINC000020985955 210372857 /nfs/dbraw/zinc/37/28/57/210372857.db2.gz APSFYGCSQFHKKG-HNNXBMFYSA-N 0 0 378.497 4.769 50 0 GJAARN COc1ccccc1O[C@@H](C)c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000020997440 210372701 /nfs/dbraw/zinc/37/27/01/210372701.db2.gz WUHRIZJUDXQXRJ-LBPRGKRZSA-N 0 0 378.350 4.828 50 0 GJAARN O=C(Nc1ccccc1Cl)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000020933884 210370296 /nfs/dbraw/zinc/37/02/96/210370296.db2.gz XZAIHNXBXKDAGC-UHFFFAOYSA-N 0 0 380.810 4.708 50 0 GJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c1 ZINC000020892269 210366776 /nfs/dbraw/zinc/36/67/76/210366776.db2.gz GZZIFGRXFDRXHR-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN CCc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 ZINC000020891806 210366610 /nfs/dbraw/zinc/36/66/10/210366610.db2.gz NGKYSDFISOCJAO-FQEVSTJZSA-N 0 0 381.476 4.657 50 0 GJAARN COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)n2)cc1 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O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)s1 ZINC000007986851 221020554 /nfs/dbraw/zinc/02/05/54/221020554.db2.gz QSHVGSGNJSMUCP-INIZCTEOSA-N 0 0 381.888 4.992 50 0 GJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cnc2ccccc2n1 ZINC000007987709 221020786 /nfs/dbraw/zinc/02/07/86/221020786.db2.gz BNQWWOAGPJIMEH-UHFFFAOYSA-N 0 0 377.831 4.815 50 0 GJAARN COc1ccc(CN(Cc2cccs2)C(=O)/C=C/c2ccco2)cc1OC ZINC000008769822 221056517 /nfs/dbraw/zinc/05/65/17/221056517.db2.gz RLIDDAQZNQVSIX-CSKARUKUSA-N 0 0 383.469 4.601 50 0 GJAARN CC(C)[C@H](C(=O)NCCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000009112186 221070684 /nfs/dbraw/zinc/07/06/84/221070684.db2.gz VUKMYROBCFRMLX-NRFANRHFSA-N 0 0 381.907 4.624 50 0 GJAARN COc1ccc(-c2nc(CN3CCOc4ccccc4C3)c(C)o2)c(C)c1C ZINC000012075094 221148203 /nfs/dbraw/zinc/14/82/03/221148203.db2.gz WYHHKRUBPOZPCT-UHFFFAOYSA-N 0 0 378.472 4.670 50 0 GJAARN CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 ZINC000012893085 221242014 /nfs/dbraw/zinc/24/20/14/221242014.db2.gz 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381.497 4.673 50 0 GJAARN COc1ccc(Nc2ccccc2NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000009378797 524715979 /nfs/dbraw/zinc/71/59/79/524715979.db2.gz MDZZCWUSYRBJTR-OAQYLSRUSA-N 0 0 388.423 4.679 50 0 GJAARN Cc1ccc(Nc2nnc(SCC(=O)N3CCCCCC3)s2)cc1Cl ZINC000008185425 525330802 /nfs/dbraw/zinc/33/08/02/525330802.db2.gz ZSHSKLYSJJSLQF-UHFFFAOYSA-N 0 0 396.969 4.738 50 0 GJAARN C[C@H](Sc1nnc(CC2CCCC2)[nH]1)C(=O)Nc1cccc(Cl)c1Cl ZINC000011500160 526001024 /nfs/dbraw/zinc/00/10/24/526001024.db2.gz DDKSAIOUFUNZIZ-JTQLQIEISA-N 0 0 399.347 4.964 50 0 GJAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1cc(-c2ccccc2)no1 ZINC000009256472 527454465 /nfs/dbraw/zinc/45/44/65/527454465.db2.gz NYCNEJOCKFQVOR-UHFFFAOYSA-N 0 0 385.448 4.828 50 0 GJAARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2cccc(Br)c2)C1 ZINC000101101908 528892248 /nfs/dbraw/zinc/89/22/48/528892248.db2.gz SEQYSBCLWORXBI-AWEZNQCLSA-N 0 0 389.253 4.704 50 0 GJAARN CC(C)(C)[C@@H](NC(=O)Nc1ccccc1N1CCC(O)CC1)c1cccs1 ZINC000040152315 535054342 /nfs/dbraw/zinc/05/43/42/535054342.db2.gz NFLAHQMBTUUAHN-IBGZPJMESA-N 0 0 387.549 4.618 50 0 GJAARN COc1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 ZINC000000951186 536296571 /nfs/dbraw/zinc/29/65/71/536296571.db2.gz CZYSJLXDZPQDJH-UHFFFAOYSA-N 0 0 383.256 4.629 50 0 GJAARN COc1ccc(N(C)C(=O)CCN2c3ccccc3Sc3ccccc32)cn1 ZINC000065551442 536641803 /nfs/dbraw/zinc/64/18/03/536641803.db2.gz FAIISQVCAQCESB-UHFFFAOYSA-N 0 0 391.496 4.746 50 0 GJAARN Cc1ccc2cc(COC(=O)/C=C/c3ccc4c(c3)OCO4)c(Cl)nc2c1 ZINC000009050028 570209839 /nfs/dbraw/zinc/20/98/39/570209839.db2.gz NRNZUKQRMGHHGR-QPJJXVBHSA-N 0 0 381.815 4.682 50 0 GJAARN COc1cccc(-c2nn3c(nnc3-c3ccc(C(F)(F)F)cc3)s2)c1 ZINC000000632732 570212065 /nfs/dbraw/zinc/21/20/65/570212065.db2.gz YSJYLUYDMKYGIO-UHFFFAOYSA-N 0 0 376.363 4.547 50 0 GJAARN O=C(NC1CCC1)c1cc(-c2cnc(C3CC3)nc2)nc2ccc(Cl)cc21 ZINC000019739841 570212307 /nfs/dbraw/zinc/21/23/07/570212307.db2.gz HAIZCRSDJGWIPQ-UHFFFAOYSA-N 0 0 378.863 4.505 50 0 GJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(N)=O)C1 ZINC000000651814 570214350 /nfs/dbraw/zinc/21/43/50/570214350.db2.gz UQHDLYYJJJIRGN-ZDUSSCGKSA-N 0 0 388.533 4.850 50 0 GJAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)NCCc1ccccc1 ZINC000000661615 570215094 /nfs/dbraw/zinc/21/50/94/570215094.db2.gz UOTQSZWGHFZUIF-UHFFFAOYSA-N 0 0 391.471 4.657 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000000668074 570215524 /nfs/dbraw/zinc/21/55/24/570215524.db2.gz IJQKWMITUBYXLU-OAQYLSRUSA-N 0 0 391.442 4.701 50 0 aggregator GJAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1 ZINC000000674340 570216083 /nfs/dbraw/zinc/21/60/83/570216083.db2.gz NACPLEODXAOLAY-UHFFFAOYSA-N 0 0 386.517 4.623 50 0 GJAARN O=C(NCCC1=CCCCC1)c1ccc(Br)cc1Br ZINC000000682954 570217484 /nfs/dbraw/zinc/21/74/84/570217484.db2.gz CNUAPRZUFVKOBP-UHFFFAOYSA-N 0 0 387.115 4.832 50 0 GJAARN CCCN(CCC)C(=O)C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000015720993 570218359 /nfs/dbraw/zinc/21/83/59/570218359.db2.gz LKSAVIVJIBUPLD-OAQYLSRUSA-N 0 0 382.479 4.562 50 0 GJAARN Cc1ccc([C@@H](CC(=O)NC2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721445 570218365 /nfs/dbraw/zinc/21/83/65/570218365.db2.gz DOMQOHNQSICKKL-JOCHJYFZSA-N 0 0 376.500 4.531 50 0 GJAARN COC(=O)/C(=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000000701957 570218334 /nfs/dbraw/zinc/21/83/34/570218334.db2.gz JQPHHQUNMORZMI-CJLVFECKSA-N 0 0 388.419 4.628 50 0 GJAARN COc1cc(OC)cc(-c2nn3c(nnc3-c3oc4ccccc4c3C)s2)c1 ZINC000096194189 570218980 /nfs/dbraw/zinc/21/89/80/570218980.db2.gz QBZAGNNMWRUXBX-UHFFFAOYSA-N 0 0 392.440 4.592 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1ncc1c2CCCCCC1 ZINC000015723490 570219634 /nfs/dbraw/zinc/21/96/34/570219634.db2.gz LECRCUURZKSYDN-UHFFFAOYSA-N 0 0 388.393 4.659 50 0 GJAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1 ZINC000000724622 570220776 /nfs/dbraw/zinc/22/07/76/570220776.db2.gz MFRXJEBRRSEDDE-UHFFFAOYSA-N 0 0 391.427 4.761 50 0 GJAARN CCc1ccccc1NC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733352 570224047 /nfs/dbraw/zinc/22/40/47/570224047.db2.gz JRYSZLPUJGYUGT-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006049468 570225065 /nfs/dbraw/zinc/22/50/65/570225065.db2.gz XPWLQYUVQDCPNR-UHFFFAOYSA-N 0 0 377.532 4.920 50 0 GJAARN COc1ccc(C2(CNC(=O)/C=C/c3ccc(Cl)cc3)CCCC2)cc1OC ZINC000000824040 570225146 /nfs/dbraw/zinc/22/51/46/570225146.db2.gz OBQGALDDBHQQEM-KPKJPENVSA-N 0 0 399.918 4.999 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)nnn1-c1ccc(C)c(C)c1 ZINC000011690055 570226322 /nfs/dbraw/zinc/22/63/22/570226322.db2.gz FKXSWOWBWTUVSZ-UHFFFAOYSA-N 0 0 375.259 4.752 50 0 GJAARN CCn1c(Sc2ncnc3sc(C)c(C)c32)nnc1-c1cccc(OC)c1 ZINC000048253709 570227154 /nfs/dbraw/zinc/22/71/54/570227154.db2.gz NIRUDRSQEPHVST-UHFFFAOYSA-N 0 0 397.529 4.746 50 0 GJAARN O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N(Cc1ccccc1)c1ccccc1 ZINC000000869840 570227520 /nfs/dbraw/zinc/22/75/20/570227520.db2.gz HWNKURPUTXLELK-UHFFFAOYSA-N 0 0 399.416 4.624 50 0 GJAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(F)cc2)CO1 ZINC000019882489 570227464 /nfs/dbraw/zinc/22/74/64/570227464.db2.gz XVLYKJZIMLJZSW-UHFFFAOYSA-N 0 0 387.838 4.543 50 0 GJAARN Cc1cccc2c(C)cc(S[C@@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)nc12 ZINC000012000139 570228000 /nfs/dbraw/zinc/22/80/00/570228000.db2.gz AHKRSIQHRJYJRB-AWEZNQCLSA-N 0 0 392.480 4.546 50 0 GJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000023308173 570229395 /nfs/dbraw/zinc/22/93/95/570229395.db2.gz SXIIOTHVZZZNSK-VWLOTQADSA-N 0 0 384.523 4.851 50 0 GJAARN Cc1cc(=O)oc2ccc(OCc3nnc(Nc4ccc(Cl)cc4)s3)cc12 ZINC000019923633 570229563 /nfs/dbraw/zinc/22/95/63/570229563.db2.gz PCOGJHAILHADQN-UHFFFAOYSA-N 0 0 399.859 4.929 50 0 GJAARN Cc1cc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc(C)c1O ZINC000048276007 570229901 /nfs/dbraw/zinc/22/99/01/570229901.db2.gz GABFFWWOIUSHLV-ZROIWOOFSA-N 0 0 386.373 4.682 50 0 GJAARN Cc1cc([C@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000048277472 570230313 /nfs/dbraw/zinc/23/03/13/570230313.db2.gz POWDVQDWJIOGGT-LZWOXQAQSA-N 0 0 387.549 4.861 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCc1ccco1 ZINC000000959581 570232198 /nfs/dbraw/zinc/23/21/98/570232198.db2.gz FOVCLSNJVDVHKL-UHFFFAOYSA-N 0 0 389.480 4.745 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccccc1O ZINC000012819309 570232286 /nfs/dbraw/zinc/23/22/86/570232286.db2.gz IXCNHJYMXAVFRL-UHFFFAOYSA-N 0 0 383.451 4.517 50 0 GJAARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2o1 ZINC000000970769 570232283 /nfs/dbraw/zinc/23/22/83/570232283.db2.gz HSGYEJWEJNCUAO-UHFFFAOYSA-N 0 0 386.407 4.827 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000009596585 570232982 /nfs/dbraw/zinc/23/29/82/570232982.db2.gz YKSWVAHKSMKBKO-UHFFFAOYSA-N 0 0 387.405 4.780 50 0 GJAARN CCCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004816585 570233556 /nfs/dbraw/zinc/23/35/56/570233556.db2.gz IAXGXIUYDAXKDR-UXHICEINSA-N 0 0 378.451 4.593 50 0 GJAARN CC(C)C(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816611 570233604 /nfs/dbraw/zinc/23/36/04/570233604.db2.gz VHHFHYVYKYGQFC-OALUTQOASA-N 0 0 398.869 4.794 50 0 GJAARN O=C(Oc1cccc2ccccc21)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000000991729 570233711 /nfs/dbraw/zinc/23/37/11/570233711.db2.gz SRAOPWAEHRYPDR-UHFFFAOYSA-N 0 0 393.398 4.860 50 0 GJAARN COc1cccc(C(=O)COc2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000000993029 570233930 /nfs/dbraw/zinc/23/39/30/570233930.db2.gz RZRQLKKTRYGTFV-UHFFFAOYSA-N 0 0 375.424 4.518 50 0 GJAARN COc1cccc(C(=O)COc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000000993026 570233982 /nfs/dbraw/zinc/23/39/82/570233982.db2.gz JXRNHCYWTIYUJA-UHFFFAOYSA-N 0 0 375.424 4.518 50 0 GJAARN Cc1ccccc1OCCSc1n[nH]c(-c2ccccc2Br)n1 ZINC000006072737 570234680 /nfs/dbraw/zinc/23/46/80/570234680.db2.gz USTKVBHTVHTGTF-UHFFFAOYSA-N 0 0 390.306 4.714 50 0 GJAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000001006631 570234739 /nfs/dbraw/zinc/23/47/39/570234739.db2.gz 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/nfs/dbraw/zinc/23/65/24/570236524.db2.gz XVFZKGLPOBGSKM-UHFFFAOYSA-N 0 0 394.447 4.711 50 0 GJAARN O=c1c(C(F)(F)F)cccn1CCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001035876 570236914 /nfs/dbraw/zinc/23/69/14/570236914.db2.gz WMYJEPBSVABOBU-UHFFFAOYSA-N 0 0 384.810 4.887 50 0 GJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000001041849 570237672 /nfs/dbraw/zinc/23/76/72/570237672.db2.gz FILFKLFIMFMABP-UHFFFAOYSA-N 0 0 393.826 4.632 50 0 GJAARN CCCOc1ccc([C@@H](C)NC(=O)CCc2c[nH]c3ccccc23)cc1OC ZINC000048333754 570237942 /nfs/dbraw/zinc/23/79/42/570237942.db2.gz KCDNLIDKTSPIOV-MRXNPFEDSA-N 0 0 380.488 4.775 50 0 GJAARN C[C@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000001044118 570237933 /nfs/dbraw/zinc/23/79/33/570237933.db2.gz JRCFROHVFKNNCP-NSHDSACASA-N 0 0 395.315 4.914 50 0 GJAARN CCOC(=O)c1csc(-c2cc(Br)cc(Br)c2)n1 ZINC000001046450 570238341 /nfs/dbraw/zinc/23/83/41/570238341.db2.gz OFWMLVYVJATYNS-UHFFFAOYSA-N 0 0 391.084 4.512 50 0 GJAARN CCOc1ccc(C2=C/C(=C3/N=C(c4ccco4)OC3=O)c3ccccc3O2)cc1 ZINC000020070038 570238688 /nfs/dbraw/zinc/23/86/88/570238688.db2.gz KFGWDUXFMDMSPB-PYCFMQQDSA-N 0 0 399.402 4.827 50 0 GJAARN O=C(CSc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)Nc1ccc(F)cc1 ZINC000006084915 570239699 /nfs/dbraw/zinc/23/96/99/570239699.db2.gz MMOFYPVDKMDUTI-UHFFFAOYSA-N 0 0 397.262 4.648 50 0 GJAARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)c1 ZINC000001092519 570241420 /nfs/dbraw/zinc/24/14/20/570241420.db2.gz AYKKNIIKMMFKHF-UHFFFAOYSA-N 0 0 397.525 4.724 50 0 GJAARN Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2C)cnn1-c1ccccn1 ZINC000117150511 570241765 /nfs/dbraw/zinc/24/17/65/570241765.db2.gz BHWKPWWTWLTKFB-UHFFFAOYSA-N 0 0 398.466 4.715 50 0 GJAARN COc1cc(SC)ccc1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000001095619 570241839 /nfs/dbraw/zinc/24/18/39/570241839.db2.gz SYXBRUNVXVRUPY-LLVKDONJSA-N 0 0 380.307 4.671 50 0 GJAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2)cc1 ZINC000001112484 570242784 /nfs/dbraw/zinc/24/27/84/570242784.db2.gz JGFBBJHGGMCZQA-IBGZPJMESA-N 0 0 382.510 4.597 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(OC)c1 ZINC000001114130 570243169 /nfs/dbraw/zinc/24/31/69/570243169.db2.gz JYGJTBGNKBPCDZ-UHFFFAOYSA-N 0 0 391.452 4.628 50 0 GJAARN CCOc1ccc2nc(NC(=O)Cc3ccc(Br)cc3)sc2c1 ZINC000001119218 570243503 /nfs/dbraw/zinc/24/35/03/570243503.db2.gz ZUPHMIGTHVTKAC-UHFFFAOYSA-N 0 0 391.290 4.639 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000026028690 570244040 /nfs/dbraw/zinc/24/40/40/570244040.db2.gz GVGHHTKHJIXLNV-UHFFFAOYSA-N 0 0 379.378 4.527 50 0 GJAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C)cc1 ZINC000001128781 570244880 /nfs/dbraw/zinc/24/48/80/570244880.db2.gz GHNIUTIBAPTIJX-UHFFFAOYSA-N 0 0 380.517 4.621 50 0 GJAARN CCc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001136553 570246983 /nfs/dbraw/zinc/24/69/83/570246983.db2.gz RCDVATWDBCIIEB-UHFFFAOYSA-N 0 0 393.508 4.784 50 0 GJAARN CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000001137048 570247337 /nfs/dbraw/zinc/24/73/37/570247337.db2.gz QKQXRPAIVJBUBS-UHFFFAOYSA-N 0 0 375.266 4.686 50 0 GJAARN Cc1c(Br)ccc(NC(=O)CSc2nc3ccccc3[nH]2)c1C ZINC000001143955 570248142 /nfs/dbraw/zinc/24/81/42/570248142.db2.gz GSGZIZOQTULWRQ-UHFFFAOYSA-N 0 0 390.306 4.673 50 0 GJAARN Cc1cc(NC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc32)no1 ZINC000006114356 570248346 /nfs/dbraw/zinc/24/83/46/570248346.db2.gz ZQIQYOQJOIRAFL-UHFFFAOYSA-N 0 0 396.497 4.694 50 0 GJAARN COc1cc(CO)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001147014 570248807 /nfs/dbraw/zinc/24/88/07/570248807.db2.gz PBYSVMCKAMXKCA-UHFFFAOYSA-N 0 0 392.076 4.836 50 0 GJAARN NC(=O)c1c(NC(=O)c2c(F)cccc2F)scc1-c1ccc(Cl)cc1 ZINC000005756692 570250334 /nfs/dbraw/zinc/25/03/34/570250334.db2.gz LZQIIDOVTFWFAJ-UHFFFAOYSA-N 0 0 392.814 4.698 50 0 GJAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(CC(C)C)on1 ZINC000020294364 570251602 /nfs/dbraw/zinc/25/16/02/570251602.db2.gz PSEBNOLZTGVQSB-UHFFFAOYSA-N 0 0 386.883 4.640 50 0 GJAARN CCOc1cc(C)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C(C)C ZINC000001163595 570252410 /nfs/dbraw/zinc/25/24/10/570252410.db2.gz AUDJLDCEZDPYQA-UDWIEESQSA-N 0 0 396.462 4.749 50 0 GJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000020395566 570254293 /nfs/dbraw/zinc/25/42/93/570254293.db2.gz WXNRNJKOLYJTGH-UHFFFAOYSA-N 0 0 382.266 4.795 50 0 GJAARN Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2)cc1 ZINC000001182374 570255475 /nfs/dbraw/zinc/25/54/75/570255475.db2.gz POYSPKBDRLZYEA-UHFFFAOYSA-N 0 0 378.435 4.547 50 0 GJAARN CCc1cc2c(cc1OCc1cc(C(=O)OC)oc1C)oc(=O)c1c2CCCC1 ZINC000001183842 570256188 /nfs/dbraw/zinc/25/61/88/570256188.db2.gz SMXZQCPUJIAFNP-UHFFFAOYSA-N 0 0 396.439 4.501 50 0 GJAARN Cc1cc(OCc2nc(Cc3ccc(Cl)cc3)no2)ccc1Br ZINC000001185589 570256585 /nfs/dbraw/zinc/25/65/85/570256585.db2.gz RDDIBHXNWOHPBV-UHFFFAOYSA-N 0 0 393.668 4.964 50 0 GJAARN O=C(CCc1nc2ccccc2[nH]1)N(CCc1ccccc1)Cc1ccccc1 ZINC000012825197 570261789 /nfs/dbraw/zinc/26/17/89/570261789.db2.gz 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CCCCn1c2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020608057 570271599 /nfs/dbraw/zinc/27/15/99/570271599.db2.gz HCQHGIHIZXBVMV-UHFFFAOYSA-N 0 0 379.407 4.940 50 0 GJAARN Cc1cccc(S(=O)(=O)N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022633041 570272175 /nfs/dbraw/zinc/27/21/75/570272175.db2.gz SCGCYUJDNYAWTF-UHFFFAOYSA-N 0 0 397.462 4.657 50 0 GJAARN Clc1ccc(C[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000169817921 570273035 /nfs/dbraw/zinc/27/30/35/570273035.db2.gz PYZBTMCRYLRNFF-UHFFFAOYSA-N 0 0 384.982 4.592 50 0 GJAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCOCC2)cc1 ZINC000020638315 570273774 /nfs/dbraw/zinc/27/37/74/570273774.db2.gz NIFXGTWASPTNST-UHFFFAOYSA-N 0 0 388.467 4.563 50 0 GJAARN Cc1ccc(-c2nc(N=NCc3ccc4nccnc4c3)nc3ccccc32)cc1 ZINC000245263955 570278005 /nfs/dbraw/zinc/27/80/05/570278005.db2.gz BSYYKTLXRFMFRN-UHFFFAOYSA-N 0 0 390.450 4.994 50 0 GJAARN O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1 ZINC000020738105 570278115 /nfs/dbraw/zinc/27/81/15/570278115.db2.gz 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570281735 /nfs/dbraw/zinc/28/17/35/570281735.db2.gz NSRQMWRYZDYMSX-QFIPXVFZSA-N 0 0 397.544 4.516 50 0 GJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ncsc2c1 ZINC000012885732 570285536 /nfs/dbraw/zinc/28/55/36/570285536.db2.gz FKUWVQYXMXBERV-UHFFFAOYSA-N 0 0 396.390 4.593 50 0 GJAARN CCn1cc([C@H](C)NC(=O)c2ccc(COc3ccccc3Cl)cc2)c(C)n1 ZINC000000654083 570285722 /nfs/dbraw/zinc/28/57/22/570285722.db2.gz HFVGJCLSQSNCSV-HNNXBMFYSA-N 0 0 397.906 4.935 50 0 GJAARN CCc1ccc(CC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)cc1 ZINC000010701192 570285763 /nfs/dbraw/zinc/28/57/63/570285763.db2.gz ZJZAVXUHCXLQJL-UHFFFAOYSA-N 0 0 379.481 4.945 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@@H](NCCOc1ccccc1F)c1ccccc1 ZINC000014074886 570286054 /nfs/dbraw/zinc/28/60/54/570286054.db2.gz BPJHFLYBOZLCBT-QHCPKHFHSA-N 0 0 388.442 4.900 50 0 GJAARN Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cnccn2)cc1 ZINC000002441103 570286977 /nfs/dbraw/zinc/28/69/77/570286977.db2.gz GCWZYKAZROHYHH-UHFFFAOYSA-N 0 0 387.512 4.942 50 0 GJAARN CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000014077529 570287490 /nfs/dbraw/zinc/28/74/90/570287490.db2.gz PTPKXUPEICOWBN-OAHLLOKOSA-N 0 0 392.528 4.826 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1ccc(F)cc1 ZINC000021038033 570287524 /nfs/dbraw/zinc/28/75/24/570287524.db2.gz WJFFHBPTPMJLOL-LJQANCHMSA-N 0 0 391.377 4.534 50 0 GJAARN NC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)c2ccccc21 ZINC000119626889 570287915 /nfs/dbraw/zinc/28/79/15/570287915.db2.gz QFRRNXFUGOKDGO-MRXNPFEDSA-N 0 0 396.899 4.688 50 0 GJAARN CN(C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F)c1ccccc1 ZINC000002485412 570288263 /nfs/dbraw/zinc/28/82/63/570288263.db2.gz QEJXATUAZKKSSH-UHFFFAOYSA-N 0 0 378.382 4.611 50 0 GJAARN Cc1ccc(-c2nc(CN3c4cccc5cccc(c45)S3(=O)=O)co2)cc1 ZINC000012903149 570289129 /nfs/dbraw/zinc/28/91/29/570289129.db2.gz KRSHGTQLCUZPPS-UHFFFAOYSA-N 0 0 376.437 4.512 50 0 GJAARN CC(=O)c1c(C)[nH]c(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)c1C ZINC000012902980 570289257 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CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000021635913 570293492 /nfs/dbraw/zinc/29/34/92/570293492.db2.gz NVWGFVCLQHZRAU-UHFFFAOYSA-N 0 0 381.834 4.982 50 0 GJAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(SC(F)(F)F)cc1 ZINC000010773123 570294591 /nfs/dbraw/zinc/29/45/91/570294591.db2.gz BVTYUXIPQYAYKQ-UHFFFAOYSA-N 0 0 394.418 4.577 50 0 GJAARN Cc1c(C)n(-c2ccccc2Cl)c2ncn3nc(-c4ccccc4O)nc3c12 ZINC000021801784 570296714 /nfs/dbraw/zinc/29/67/14/570296714.db2.gz HULHEBLQMGNFBV-UHFFFAOYSA-N 0 0 389.846 4.711 50 0 GJAARN O=C(NCc1cccnc1-n1cccn1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000024796140 570299305 /nfs/dbraw/zinc/29/93/05/570299305.db2.gz HZVICBVXLLEGAK-UHFFFAOYSA-N 0 0 394.887 4.579 50 0 GJAARN Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000002779346 570300892 /nfs/dbraw/zinc/30/08/92/570300892.db2.gz GZMPLHYQWQVZMK-UHFFFAOYSA-N 0 0 396.450 4.685 50 0 GJAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc(Cl)c4)CC3)o2)cc1 ZINC000022025280 570302670 /nfs/dbraw/zinc/30/26/70/570302670.db2.gz 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O=C(Cc1ccccc1)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000022309175 570312781 /nfs/dbraw/zinc/31/27/81/570312781.db2.gz HVIAKQBMYMKWII-UHFFFAOYSA-N 0 0 393.490 4.979 50 0 in-vitro GJAARN CCC(=O)Nc1cccc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000002868364 570313189 /nfs/dbraw/zinc/31/31/89/570313189.db2.gz LEBOIKPHBUVEBN-UHFFFAOYSA-N 0 0 387.435 4.623 50 0 GJAARN Cc1nn(C)cc1CNC(=O)c1c(C)c(-c2cc(C)ccc2C)nc2ccccc21 ZINC000002867765 570313266 /nfs/dbraw/zinc/31/32/66/570313266.db2.gz ZGZMVTFZHFJGRZ-UHFFFAOYSA-N 0 0 398.510 4.799 50 0 GJAARN COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)ccc1OC(C)C ZINC000012939470 570313890 /nfs/dbraw/zinc/31/38/90/570313890.db2.gz FBFGSNFIAGSXRP-CYBMUJFWSA-N 0 0 392.293 4.736 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2cccnc2)no1 ZINC000022462124 570317582 /nfs/dbraw/zinc/31/75/82/570317582.db2.gz PNTVNEUAUFRIDJ-UHFFFAOYSA-N 0 0 390.830 4.633 50 0 GJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)NC1CCCCC1 ZINC000002911098 570318089 /nfs/dbraw/zinc/31/80/89/570318089.db2.gz PRPKCZUPIVOTAF-UHFFFAOYSA-N 0 0 386.304 4.584 50 0 GJAARN Cc1cc(Nc2ccc(Br)cc2)n2nc(-c3ccccc3)nc2n1 ZINC000014610229 570319822 /nfs/dbraw/zinc/31/98/22/570319822.db2.gz OOVKWOAUVKMBIF-UHFFFAOYSA-N 0 0 380.249 4.606 50 0 GJAARN COc1cccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C=C4C)c1 ZINC000575473077 570319929 /nfs/dbraw/zinc/31/99/29/570319929.db2.gz FJVYAWBZPPMBIP-UHFFFAOYSA-N 0 0 389.451 4.664 50 0 GJAARN Cc1c(Cl)c(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 ZINC000002982454 570322478 /nfs/dbraw/zinc/32/24/78/570322478.db2.gz KZFDJJCVGREDMA-UHFFFAOYSA-N 0 0 377.223 4.978 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000002982460 570322499 /nfs/dbraw/zinc/32/24/99/570322499.db2.gz CGTSCKUGKZEKSJ-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN CC(=O)Nc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002983297 570322771 /nfs/dbraw/zinc/32/27/71/570322771.db2.gz AJVASYKZPGNRRV-UHFFFAOYSA-N 0 0 381.259 4.750 50 0 GJAARN O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1c1cccc(Cl)c1 ZINC000006191582 570324067 /nfs/dbraw/zinc/32/40/67/570324067.db2.gz ORIZUZYBXDYPNT-PJQLUOCWSA-N 0 0 394.235 4.963 50 0 GJAARN O=C(Nc1ccccc1N1CCCN(Cc2ccccc2)C1=O)C1CCCC1 ZINC000034734915 570326458 /nfs/dbraw/zinc/32/64/58/570326458.db2.gz JYPNIHMNAKODQP-UHFFFAOYSA-N 0 0 377.488 4.648 50 0 GJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1nc(-c2ccccc2)no1 ZINC000022762358 570326604 /nfs/dbraw/zinc/32/66/04/570326604.db2.gz YYEXIJMRTSDLQV-UHFFFAOYSA-N 0 0 390.270 4.635 50 0 GJAARN CN(C)C[C@@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 ZINC000022789456 570327873 /nfs/dbraw/zinc/32/78/73/570327873.db2.gz ZIVTYNYWZTVDRW-JWQCQUIFSA-N 0 0 397.522 4.984 50 0 GJAARN COc1ccc(Nc2nc(N)c(C(=O)c3cc(C)ccc3C)s2)cc1Cl ZINC000032947763 570330238 /nfs/dbraw/zinc/33/02/38/570330238.db2.gz BTURAEIMKSHUHM-UHFFFAOYSA-N 0 0 387.892 4.979 50 0 GJAARN COc1ccc(/C=C2/c3ccccc3C(=O)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000023724622 570330469 /nfs/dbraw/zinc/33/04/69/570330469.db2.gz NXUQETQJUOSFKC-STZFKDTASA-N 0 0 399.446 4.740 50 0 GJAARN CCCc1ccc(-c2nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)sc2C)cc1 ZINC000022875655 570332599 /nfs/dbraw/zinc/33/25/99/570332599.db2.gz OJWJOMRQUPQMKX-ZDUSSCGKSA-N 0 0 387.549 4.560 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1C1CC1 ZINC000007364415 570334237 /nfs/dbraw/zinc/33/42/37/570334237.db2.gz ZEEFRGXNTRGEAF-HSZRJFAPSA-N 0 0 380.451 4.754 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575610251 570334318 /nfs/dbraw/zinc/33/43/18/570334318.db2.gz GBBGMLNDAYKYFL-LLVKDONJSA-N 0 0 386.666 4.727 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CCCCC1 ZINC000000793591 570334578 /nfs/dbraw/zinc/33/45/78/570334578.db2.gz CUHKSPFBWIFARW-UHFFFAOYSA-N 0 0 378.929 4.730 50 0 GJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(Cl)cc2)n1)CCC3 ZINC000003267150 570334817 /nfs/dbraw/zinc/33/48/17/570334817.db2.gz GVCITJOFYRSFFB-UHFFFAOYSA-N 0 0 389.933 4.873 50 0 GJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)CC(C)C)[C@@H](C)C1)=Nc1ccccc1O2 ZINC000034813638 570334852 /nfs/dbraw/zinc/33/48/52/570334852.db2.gz UGNNYXHPDGSBIO-SFHVURJKSA-N 0 0 391.515 4.758 50 0 GJAARN COc1cccc(-c2ccc3nc(C(=O)Nc4ccc(Cl)cc4)cn3c2)c1 ZINC000034831047 570335070 /nfs/dbraw/zinc/33/50/70/570335070.db2.gz QWIDNQRJRCCEPP-UHFFFAOYSA-N 0 0 377.831 4.916 50 0 GJAARN CCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1ccccc1Cl ZINC000034793768 570336499 /nfs/dbraw/zinc/33/64/99/570336499.db2.gz GHBXORXPDORCFB-UHFFFAOYSA-N 0 0 385.851 4.562 50 0 GJAARN CCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034794620 570336907 /nfs/dbraw/zinc/33/69/07/570336907.db2.gz HIUKWJHFQSJWJU-QGZVFWFLSA-N 0 0 391.471 4.890 50 0 GJAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)Cc1cccc(OC)c1 ZINC000034794727 570336921 /nfs/dbraw/zinc/33/69/21/570336921.db2.gz UQCOYXJNWSANSH-UHFFFAOYSA-N 0 0 383.879 4.872 50 0 GJAARN CCc1[nH]nc(-c2ccc(OC)cc2OC)c1NC(=O)c1cccc(Cl)c1 ZINC000034796019 570337926 /nfs/dbraw/zinc/33/79/26/570337926.db2.gz NZQBQIFLEQAQRF-UHFFFAOYSA-N 0 0 385.851 4.562 50 0 GJAARN COc1cccc(CC(=O)Nc2c(C)[nH]nc2-c2cccc(C(F)(F)F)c2)c1 ZINC000034796232 570337934 /nfs/dbraw/zinc/33/79/34/570337934.db2.gz ZXARPJQWYYCXBG-UHFFFAOYSA-N 0 0 389.377 4.594 50 0 GJAARN Cc1cccc(OCc2nnc(SCc3csc(-c4ccco4)n3)o2)c1 ZINC000022987658 570339627 /nfs/dbraw/zinc/33/96/27/570339627.db2.gz PLQOCDULQJWUFS-UHFFFAOYSA-N 0 0 385.470 4.966 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1 ZINC000023012362 570340586 /nfs/dbraw/zinc/34/05/86/570340586.db2.gz LKQJZNCVHHWMMO-UHFFFAOYSA-N 0 0 379.485 4.896 50 0 GJAARN O=C(CCC(=O)N1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(F)cc1 ZINC000010881062 570341667 /nfs/dbraw/zinc/34/16/67/570341667.db2.gz CVUQPSKXHBUJBR-UHFFFAOYSA-N 0 0 378.447 4.676 50 0 GJAARN O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc(Cl)s1 ZINC000011695450 570343549 /nfs/dbraw/zinc/34/35/49/570343549.db2.gz XVWXNZQFSGDVRR-UHFFFAOYSA-N 0 0 390.671 4.528 50 0 GJAARN COc1cccc([C@H](CC(=O)Nc2ccc(F)cc2)c2cnc3n2CCCC3)c1 ZINC000034920108 570345142 /nfs/dbraw/zinc/34/51/42/570345142.db2.gz HLBNAUNLSQLEFS-FQEVSTJZSA-N 0 0 393.462 4.528 50 0 GJAARN CC(=O)c1sc(NC(=O)Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000006235291 570345475 /nfs/dbraw/zinc/34/54/75/570345475.db2.gz NCNWYIIWHTUDHQ-UHFFFAOYSA-N 0 0 388.851 4.986 50 0 GJAARN COc1ccc(OC)c(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn32)c1 ZINC000035373565 570346022 /nfs/dbraw/zinc/34/60/22/570346022.db2.gz OJQJYQIWQWYMST-UHFFFAOYSA-N 0 0 385.427 4.638 50 0 GJAARN COc1ccc(C(=O)Nc2c(-c3ccccc3F)nc3ccc(C)cn32)cc1 ZINC000034913019 570346653 /nfs/dbraw/zinc/34/66/53/570346653.db2.gz GSJRUCGBSLXDIJ-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN CCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2[C@@H](C)CC)cc1 ZINC000022639380 570347808 /nfs/dbraw/zinc/34/78/08/570347808.db2.gz BLIBQXDBFDYYMH-KRWDZBQOSA-N 0 0 399.535 4.825 50 0 GJAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1OC ZINC000006248957 570348241 /nfs/dbraw/zinc/34/82/41/570348241.db2.gz YWAVDTGCXLJULD-UHFFFAOYSA-N 0 0 385.416 4.602 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3cccs3)CC1)N2 ZINC000035399560 570350490 /nfs/dbraw/zinc/35/04/90/570350490.db2.gz CGHULZZIWYYZME-UHFFFAOYSA-N 0 0 377.513 4.713 50 0 biogenic GJAARN O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1ccc(F)cc1 ZINC000035400185 570350513 /nfs/dbraw/zinc/35/05/13/570350513.db2.gz RWNAWBULZLNMNP-UHFFFAOYSA-N 0 0 383.426 4.587 50 0 GJAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1cc3ccccc3cc1OC)n2C ZINC000100307200 570351363 /nfs/dbraw/zinc/35/13/63/570351363.db2.gz GNFNDIIJXVIVJA-FCQUAONHSA-N 0 0 392.480 4.541 50 0 GJAARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000006260013 570352118 /nfs/dbraw/zinc/35/21/18/570352118.db2.gz YHCPPVFCVCWDIT-UHFFFAOYSA-N 0 0 376.584 4.956 50 0 GJAARN O=C(COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000004008974 570354134 /nfs/dbraw/zinc/35/41/34/570354134.db2.gz WHUDPPDRXAQMEK-SEONNTABSA-N 0 0 396.870 4.611 50 0 GJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000035319246 570355300 /nfs/dbraw/zinc/35/53/00/570355300.db2.gz TZXYOAUGFDMFPZ-IBGZPJMESA-N 0 0 392.459 4.731 50 0 GJAARN O=C(COc1ccc(F)cc1Cl)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000008070183 570355400 /nfs/dbraw/zinc/35/54/00/570355400.db2.gz MBHUYXPUFMYUSL-IBGZPJMESA-N 0 0 393.842 4.964 50 0 GJAARN O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccccc1 ZINC000004890545 570357432 /nfs/dbraw/zinc/35/74/32/570357432.db2.gz ZOUZNBMYZNNWHS-UHFFFAOYSA-N 0 0 377.513 4.920 50 0 GJAARN CCOc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000035429997 570357940 /nfs/dbraw/zinc/35/79/40/570357940.db2.gz ISLNFXLUTTUZSE-UHFFFAOYSA-N 0 0 398.466 4.702 50 0 GJAARN COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCCC3)cc1 ZINC000004892118 570358040 /nfs/dbraw/zinc/35/80/40/570358040.db2.gz AQWUIWVHVJIDAF-UHFFFAOYSA-N 0 0 378.497 4.628 50 0 GJAARN CCc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCC2)cc1 ZINC000004894415 570358357 /nfs/dbraw/zinc/35/83/57/570358357.db2.gz WCFBLKSUWDOQIF-HSZRJFAPSA-N 0 0 390.527 4.785 50 0 GJAARN CNC(=O)c1ccc([C@@H]2CCCN2Cc2cnc(-c3ccccc3)s2)s1 ZINC000023380107 570359375 /nfs/dbraw/zinc/35/93/75/570359375.db2.gz VBCQMGOFTSTGKT-INIZCTEOSA-N 0 0 383.542 4.568 50 0 GJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3ccc(F)cc3)cc12 ZINC000006280291 570359644 /nfs/dbraw/zinc/35/96/44/570359644.db2.gz YSCKOZUAVZBPDM-UHFFFAOYSA-N 0 0 394.427 4.574 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000008118038 570360818 /nfs/dbraw/zinc/36/08/18/570360818.db2.gz CJVRYRDCERDXPP-MRXNPFEDSA-N 0 0 393.796 4.612 50 0 GJAARN Nc1nc2c(sc3nc(-c4cccs4)cc(-c4ccccc4)c32)c(N)n1 ZINC000004903570 570361087 /nfs/dbraw/zinc/36/10/87/570361087.db2.gz FJTGBFBQHWLHHZ-UHFFFAOYSA-N 0 0 375.482 4.799 50 0 GJAARN O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1ccc(Br)cc1 ZINC000004178406 570361268 /nfs/dbraw/zinc/36/12/68/570361268.db2.gz WYWBIQUPGGTBQA-IZZDOVSWSA-N 0 0 386.274 4.723 50 0 GJAARN Cn1cnc2cc(-c3noc(-c4ccc(NC(=O)c5ccccc5)cc4)n3)ccc21 ZINC000035453216 570362621 /nfs/dbraw/zinc/36/26/21/570362621.db2.gz LJTIATKDDOWLSJ-UHFFFAOYSA-N 0 0 395.422 4.543 50 0 GJAARN O=C(NCc1nc(C2CCCCC2)cs1)C1(c2ccccc2)CCOCC1 ZINC000390830070 570363809 /nfs/dbraw/zinc/36/38/09/570363809.db2.gz INVKUVNGRJAQFM-UHFFFAOYSA-N 0 0 384.545 4.555 50 0 GJAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000008162874 570364095 /nfs/dbraw/zinc/36/40/95/570364095.db2.gz FFRYEVZTBZVWFC-UHFFFAOYSA-N 0 0 376.504 4.618 50 0 GJAARN CCc1nnc2c(Oc3ccc(NC(=O)CC(C)C)cc3)nc3ccccc3n12 ZINC000035460985 570364900 /nfs/dbraw/zinc/36/49/00/570364900.db2.gz LLNBOUSEUWHMFB-UHFFFAOYSA-N 0 0 389.459 4.617 50 0 GJAARN Cc1cc(C)cc(NC(=O)N2CCCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000004299382 570366209 /nfs/dbraw/zinc/36/62/09/570366209.db2.gz ZKYQZLQQEDRBMU-UHFFFAOYSA-N 0 0 389.902 4.836 50 0 GJAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000006301032 570366734 /nfs/dbraw/zinc/36/67/34/570366734.db2.gz SWPXTUCTZKKLQD-UHFFFAOYSA-N 0 0 381.863 4.718 50 0 GJAARN CCOC(=O)NC(Nc1cccc(Cl)c1C)(C(F)(F)F)C(F)(F)F ZINC000004336744 570369518 /nfs/dbraw/zinc/36/95/18/570369518.db2.gz IMSHEBAVDIDFAB-UHFFFAOYSA-N 0 0 378.700 4.627 50 0 GJAARN Cc1c(C(=O)Nc2ccc(N(C)C)cc2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000004924894 570370645 /nfs/dbraw/zinc/37/06/45/570370645.db2.gz SPKPOMAINHQURF-UHFFFAOYSA-N 0 0 394.475 4.829 50 0 GJAARN CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)n1 ZINC000023792484 570372730 /nfs/dbraw/zinc/37/27/30/570372730.db2.gz DLJCZRYTLIIGGS-JTQLQIEISA-N 0 0 398.359 4.932 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1 ZINC000004931003 570372757 /nfs/dbraw/zinc/37/27/57/570372757.db2.gz OFFOGEYKOHPFDF-UHFFFAOYSA-N 0 0 381.432 4.771 50 0 GJAARN CCCCOc1ccc([C@@H](C)NC(=O)/C=C2\Sc3ccccc3NC2=O)cc1 ZINC000004931837 570373131 /nfs/dbraw/zinc/37/31/31/570373131.db2.gz FMIFYJYSPXWJLP-KWPCUBQOSA-N 0 0 396.512 4.671 50 0 GJAARN Cc1ccc(Cn2c3ccccc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000035400189 570374817 /nfs/dbraw/zinc/37/48/17/570374817.db2.gz PCHYXZSHIXSFKG-UHFFFAOYSA-N 0 0 379.463 4.756 50 0 GJAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033559484 570376503 /nfs/dbraw/zinc/37/65/03/570376503.db2.gz NCBDZIIXTYLOEZ-UHFFFAOYSA-N 0 0 387.888 4.744 50 0 GJAARN Cc1cccc(-c2ccc(CN3CCCn4nc([C@H](O)C5CC5)cc4C3)cc2)c1 ZINC000219864508 570376882 /nfs/dbraw/zinc/37/68/82/570376882.db2.gz PEKVGBZOOLOKIE-RUZDIDTESA-N 0 0 387.527 4.708 50 0 GJAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)c2nc(C(C)(C)C)no2)n[nH]1 ZINC000024045752 570377598 /nfs/dbraw/zinc/37/75/98/570377598.db2.gz ADTYHPPQBQZLSZ-VIFPVBQESA-N 0 0 393.900 4.668 50 0 GJAARN CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000000828066 570377586 /nfs/dbraw/zinc/37/75/86/570377586.db2.gz XFWJGQNUEXOHJA-UHFFFAOYSA-N 0 0 386.455 4.688 50 0 GJAARN CC(C)c1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)n1Cc1ccco1 ZINC000024048750 570377844 /nfs/dbraw/zinc/37/78/44/570377844.db2.gz CXJXAWPWZUMSMJ-LBPRGKRZSA-N 0 0 375.498 4.577 50 0 GJAARN COc1cccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)c1 ZINC000035503819 570378509 /nfs/dbraw/zinc/37/85/09/570378509.db2.gz GPXHEPYHBMKNFJ-UHFFFAOYSA-N 0 0 395.418 4.716 50 0 GJAARN O=C(NNc1cccc(Cl)c1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000095347448 570380151 /nfs/dbraw/zinc/38/01/51/570380151.db2.gz IZCZCICASXWSSN-UHFFFAOYSA-N 0 0 378.819 4.543 50 0 GJAARN Brc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn32)cc1 ZINC000004538896 570382702 /nfs/dbraw/zinc/38/27/02/570382702.db2.gz BCYJYZVJLMYZAH-IZZDOVSWSA-N 0 0 383.274 4.786 50 0 GJAARN COc1cc(CN(C(=O)Nc2ccc(C)cc2)C2CC2)ccc1OC(F)F ZINC000012975809 570383339 /nfs/dbraw/zinc/38/33/39/570383339.db2.gz CCJWFGKDZNZOCV-UHFFFAOYSA-N 0 0 376.403 4.802 50 0 GJAARN COc1ccc([C@H]2NC(=O)N=C3Nc4ccccc4NC(c4ccccc4)=C32)cc1 ZINC000006405468 570383530 /nfs/dbraw/zinc/38/35/30/570383530.db2.gz VEBNNVRVGQHAKT-JOCHJYFZSA-N 0 0 396.450 4.616 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000024395656 570383548 /nfs/dbraw/zinc/38/35/48/570383548.db2.gz KGSYIZJYJSYLRT-UHFFFAOYSA-N 0 0 392.261 4.650 50 0 GJAARN CC(C)CNC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000004550505 570383612 /nfs/dbraw/zinc/38/36/12/570383612.db2.gz FEHUYUMGDBRDKS-UHFFFAOYSA-N 0 0 390.936 4.598 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1cccs1)CC2 ZINC000024445051 570383747 /nfs/dbraw/zinc/38/37/47/570383747.db2.gz IIICXNVFCKNNQU-NRFANRHFSA-N 0 0 399.537 4.544 50 0 GJAARN O=C(Cc1cn2ccccc2n1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000024444111 570383756 /nfs/dbraw/zinc/38/37/56/570383756.db2.gz ZEQPJBOQVVMUNA-UHFFFAOYSA-N 0 0 377.831 4.961 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000024564474 570385508 /nfs/dbraw/zinc/38/55/08/570385508.db2.gz QHXBUPFHBAAHFC-CYBMUJFWSA-N 0 0 378.519 4.972 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000024564476 570385609 /nfs/dbraw/zinc/38/56/09/570385609.db2.gz QHXBUPFHBAAHFC-ZDUSSCGKSA-N 0 0 378.519 4.972 50 0 GJAARN Cc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1Cl ZINC000004600003 570386990 /nfs/dbraw/zinc/38/69/90/570386990.db2.gz FTQWLEIHHZRAQW-UHFFFAOYSA-N 0 0 383.698 4.538 50 0 GJAARN C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000024614682 570388056 /nfs/dbraw/zinc/38/80/56/570388056.db2.gz XKMTVPZKCIHBRK-GFCCVEGCSA-N 0 0 380.271 4.575 50 0 GJAARN O=C(Nc1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000010959351 570388333 /nfs/dbraw/zinc/38/83/33/570388333.db2.gz VNFBJHRXRCPZQM-UHFFFAOYSA-N 0 0 397.303 4.745 50 0 GJAARN COc1cc(SC)ccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000004979750 570388543 /nfs/dbraw/zinc/38/85/43/570388543.db2.gz TZIPYEXNSAFSEK-SIXWZSSISA-N 0 0 394.533 4.578 50 0 GJAARN CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 ZINC000004628741 570388703 /nfs/dbraw/zinc/38/87/03/570388703.db2.gz ZBULIMFQRZMOJA-HLPPOEQASA-N 0 0 375.534 4.814 50 0 GJAARN CCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3Cl)sc2c1 ZINC000006327927 570389894 /nfs/dbraw/zinc/38/98/94/570389894.db2.gz NTTZXHAOUOAYAA-CSKARUKUSA-N 0 0 386.860 4.778 50 0 GJAARN CC(C)c1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000024715221 570390359 /nfs/dbraw/zinc/39/03/59/570390359.db2.gz ROYVQIOIQMPXDD-UHFFFAOYSA-N 0 0 398.454 4.535 50 0 GJAARN Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1F ZINC000004992171 570390761 /nfs/dbraw/zinc/39/07/61/570390761.db2.gz QWFOPWOYMWQCKM-QFIPXVFZSA-N 0 0 390.414 4.630 50 0 GJAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1ccc(F)cc1 ZINC000035536654 570390908 /nfs/dbraw/zinc/39/09/08/570390908.db2.gz YJFNCYGMOFKPAZ-UHFFFAOYSA-N 0 0 375.197 4.804 50 0 GJAARN Brc1ccccc1-c1nnc2sc(/C=C/c3ccccc3)nn21 ZINC000004664999 570391142 /nfs/dbraw/zinc/39/11/42/570391142.db2.gz RJNBWOCZLQCUHV-ZHACJKMWSA-N 0 0 383.274 4.786 50 0 GJAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCC(C)CC3)c2)cs1 ZINC000035527079 570392631 /nfs/dbraw/zinc/39/26/31/570392631.db2.gz KTODNONCZFOTEK-UHFFFAOYSA-N 0 0 378.563 4.663 50 0 GJAARN Cc1sc2c(c1C)c(=O)nc1n2Cc2ccccc2/C1=C/c1ccccc1O ZINC000032696074 570392763 /nfs/dbraw/zinc/39/27/63/570392763.db2.gz LDLSHSYCLMNPAF-WQRHYEAKSA-N 0 0 386.476 4.731 50 0 GJAARN CCCCSc1nnc2n1c1ccsc1c(=O)n2C[C@H](C)c1ccccc1 ZINC000035529634 570393793 /nfs/dbraw/zinc/39/37/93/570393793.db2.gz SDVSDDPNURGDPM-AWEZNQCLSA-N 0 0 398.557 4.802 50 0 GJAARN CC(=O)Nc1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000006347893 570395036 /nfs/dbraw/zinc/39/50/36/570395036.db2.gz TYJFSRQGYMTRAK-UHFFFAOYSA-N 0 0 393.439 4.540 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000004703033 570395371 /nfs/dbraw/zinc/39/53/71/570395371.db2.gz CCTNJAWFADHCAM-ZDUSSCGKSA-N 0 0 377.271 4.602 50 0 GJAARN COc1ccc(C)cc1NC(=O)Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000035553315 570395392 /nfs/dbraw/zinc/39/53/92/570395392.db2.gz VUBUGJIKBOEUII-UHFFFAOYSA-N 0 0 378.432 4.965 50 0 GJAARN CCc1nc(-c2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c(C)s2)no1 ZINC000035554833 570395671 /nfs/dbraw/zinc/39/56/71/570395671.db2.gz JGUOODAPKQOWGF-SNVBAGLBSA-N 0 0 391.880 4.728 50 0 GJAARN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 ZINC000004703935 570395863 /nfs/dbraw/zinc/39/58/63/570395863.db2.gz AQYUVNSERLBIMS-MRXNPFEDSA-N 0 0 397.544 4.591 50 0 GJAARN Cc1cc(N2CCCC2)ccc1NC(=O)CCCSc1nc2ccccc2[nH]1 ZINC000024861539 570396797 /nfs/dbraw/zinc/39/67/97/570396797.db2.gz JWDUEHJZPFLUFY-UHFFFAOYSA-N 0 0 394.544 4.983 50 0 GJAARN CCOc1ccc(-c2nc(NC(=O)c3c(OC)cccc3OC)sc2C)cc1 ZINC000006355305 570398034 /nfs/dbraw/zinc/39/80/34/570398034.db2.gz KCVHEPZWMHQPSM-UHFFFAOYSA-N 0 0 398.484 4.787 50 0 GJAARN C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)C1 ZINC000005021009 570398249 /nfs/dbraw/zinc/39/82/49/570398249.db2.gz YQFRVYKJNATLIQ-MRXNPFEDSA-N 0 0 377.513 4.647 50 0 GJAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 ZINC000004727414 570398576 /nfs/dbraw/zinc/39/85/76/570398576.db2.gz WWSOTWYIPZEDDC-XWFFHEKESA-N 0 0 389.520 4.571 50 0 GJAARN COc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1OC ZINC000035592653 570398858 /nfs/dbraw/zinc/39/88/58/570398858.db2.gz PHHGSQPNKGXVCC-UHFFFAOYSA-N 0 0 397.431 4.607 50 0 GJAARN CCOc1cccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)c1 ZINC000004731487 570398895 /nfs/dbraw/zinc/39/88/95/570398895.db2.gz RIPZRHNDQYVOBC-NRFANRHFSA-N 0 0 391.471 4.676 50 0 GJAARN O=C(CCC(=O)N1CCC[C@H]1c1cccs1)c1ccc(Br)cc1 ZINC000032988703 570399719 /nfs/dbraw/zinc/39/97/19/570399719.db2.gz HVBGZOKICYBTEP-HNNXBMFYSA-N 0 0 392.318 4.837 50 0 GJAARN O=C(CSc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(F)c(Cl)c1 ZINC000005038544 570403237 /nfs/dbraw/zinc/40/32/37/570403237.db2.gz WEGRKPRCRMEADB-UHFFFAOYSA-N 0 0 385.716 4.905 50 0 GJAARN CCCCOc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)OCC(C)C)cc1 ZINC000004755528 570403274 /nfs/dbraw/zinc/40/32/74/570403274.db2.gz LPNYLAMPZNIBEP-JWGURIENSA-N 0 0 395.499 4.836 50 0 GJAARN c1csc(Cc2nnc(SCCc3ccncc3)n2-c2ccccc2)c1 ZINC000025065836 570405197 /nfs/dbraw/zinc/40/51/97/570405197.db2.gz MNFHJTVJXNUPQY-UHFFFAOYSA-N 0 0 378.526 4.649 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000025105071 570406280 /nfs/dbraw/zinc/40/62/80/570406280.db2.gz XFKXFXWRKPORCE-CYBMUJFWSA-N 0 0 381.530 4.868 50 0 GJAARN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1Cl ZINC000012985423 570408198 /nfs/dbraw/zinc/40/81/98/570408198.db2.gz IDAMLEKBRNLUEI-LLVKDONJSA-N 0 0 377.271 4.833 50 0 GJAARN Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCc4c3cccc4O)s2)cc1 ZINC000072235924 570408885 /nfs/dbraw/zinc/40/88/85/570408885.db2.gz XBFUQNHPXCXJMJ-GOSISDBHSA-N 0 0 379.485 4.557 50 0 GJAARN O=C(NCCCOCC1CC1)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 ZINC000040157352 570410127 /nfs/dbraw/zinc/41/01/27/570410127.db2.gz FJKKFVSKHSKBCP-GXDHUFHOSA-N 0 0 386.495 4.952 50 0 GJAARN CC(=O)Nc1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccc(C)cc1 ZINC000035671538 570411666 /nfs/dbraw/zinc/41/16/66/570411666.db2.gz PIBVEKJTQWMKPU-JLHYYAGUSA-N 0 0 377.469 4.729 50 0 GJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000025379576 570412572 /nfs/dbraw/zinc/41/25/72/570412572.db2.gz IKJQCLLYSPWOGO-VIPLHTEESA-N 0 0 390.955 4.570 50 0 GJAARN Cc1ccsc1/C=C1\SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000033759002 570412865 /nfs/dbraw/zinc/41/28/65/570412865.db2.gz DBNVWBVLCFPRDW-UUASQNMZSA-N 0 0 393.873 4.675 50 0 GJAARN O=C(Nc1ncc(Cc2ccccc2Br)s1)c1cccs1 ZINC000012999191 570413130 /nfs/dbraw/zinc/41/31/30/570413130.db2.gz OUFUZWXIJNTAKT-UHFFFAOYSA-N 0 0 379.304 4.810 50 0 GJAARN CSc1cccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000012999866 570413960 /nfs/dbraw/zinc/41/39/60/570413960.db2.gz JTOTWUHLIGYFCF-UHFFFAOYSA-N 0 0 378.291 4.773 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000005099267 570416115 /nfs/dbraw/zinc/41/61/15/570416115.db2.gz IDFZJQGFGLKUES-UHFFFAOYSA-N 0 0 388.389 4.647 50 0 GJAARN COc1ccc(Br)cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000025667218 570417657 /nfs/dbraw/zinc/41/76/57/570417657.db2.gz JBZNJSITXQOVOR-UHFFFAOYSA-N 0 0 390.258 4.977 50 0 GJAARN O=C(NCCOc1ccc2ccccc2c1)c1ccc(F)cc1Br ZINC000010996666 570417903 /nfs/dbraw/zinc/41/79/03/570417903.db2.gz OEHPOVZKKYUQLC-UHFFFAOYSA-N 0 0 388.236 4.550 50 0 GJAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCc4ccc(F)cc4)C3)nc2c(C)c1 ZINC000005107693 570418475 /nfs/dbraw/zinc/41/84/75/570418475.db2.gz XYYNDZCYWQJODR-KRWDZBQOSA-N 0 0 397.519 4.585 50 0 GJAARN CCc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000013021881 570419273 /nfs/dbraw/zinc/41/92/73/570419273.db2.gz KEAXYUPHQLUYAG-GFCCVEGCSA-N 0 0 396.270 4.505 50 0 GJAARN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1c(F)ccc(OC(F)F)c1F ZINC000123852064 570421867 /nfs/dbraw/zinc/42/18/67/570421867.db2.gz GSEJSPVFWKCROF-UHFFFAOYSA-N 0 0 399.731 4.658 50 0 GJAARN C[C@]1(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1(Cl)Cl ZINC000026083572 570422144 /nfs/dbraw/zinc/42/21/44/570422144.db2.gz USNPKCVLSLIBLC-QGZVFWFLSA-N 0 0 398.311 4.636 50 0 GJAARN C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)c1ccccc1 ZINC000005132274 570423330 /nfs/dbraw/zinc/42/33/30/570423330.db2.gz JHRLNHRVQSIEHE-HNNXBMFYSA-N 0 0 388.492 4.937 50 0 GJAARN C[C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1cccc2ccccc21 ZINC000026246743 570423636 /nfs/dbraw/zinc/42/36/36/570423636.db2.gz ZMKNBHCKSPZYMO-DYESRHJHSA-N 0 0 375.468 4.889 50 0 GJAARN COC(=O)c1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 ZINC000006441060 570423657 /nfs/dbraw/zinc/42/36/57/570423657.db2.gz PJFHDIVIKQNVEF-UHFFFAOYSA-N 0 0 387.269 4.704 50 0 GJAARN Cc1csc(=O)n1CCCC(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000026369467 570425084 /nfs/dbraw/zinc/42/50/84/570425084.db2.gz CGNXZIGIPZFLNJ-UHFFFAOYSA-N 0 0 387.888 4.924 50 0 GJAARN CN(C(=O)CSc1ncc2ccccn21)C(c1ccccc1)c1ccccc1 ZINC000026371518 570425090 /nfs/dbraw/zinc/42/50/90/570425090.db2.gz QKHKTZBAICXGKU-UHFFFAOYSA-N 0 0 387.508 4.674 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000005046301 570425860 /nfs/dbraw/zinc/42/58/60/570425860.db2.gz BHMXXIYGVUVWRJ-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1C ZINC000005050190 570426164 /nfs/dbraw/zinc/42/61/64/570426164.db2.gz QRRMUSUJBZJOBD-UHFFFAOYSA-N 0 0 376.456 4.652 50 0 GJAARN O=C(NCc1csc(C2CC2)n1)N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000069957684 570426657 /nfs/dbraw/zinc/42/66/57/570426657.db2.gz GPSXTHQRXXUDLF-GXTWGEPZSA-N 0 0 382.316 4.683 50 0 GJAARN C[C@H]1CCCC[C@@H]1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000005053568 570426743 /nfs/dbraw/zinc/42/67/43/570426743.db2.gz COGHPZMQUJHMAS-SCLWLPJFSA-N 0 0 375.944 4.813 50 0 GJAARN CCOc1ccc(-c2cn3c(CC(=O)N4CCCC[C@H]4CC)csc3n2)cc1 ZINC000005146958 570427028 /nfs/dbraw/zinc/42/70/28/570427028.db2.gz ZPVOHEZKSMZFIZ-QGZVFWFLSA-N 0 0 397.544 4.795 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C(C)C)s1 ZINC000026601596 570427229 /nfs/dbraw/zinc/42/72/29/570427229.db2.gz JRSFDAAXJNYIJT-UHFFFAOYSA-N 0 0 380.832 4.670 50 0 GJAARN CCCn1c2ccccc2nc1C(=O)C(N)c1nc2ccccc2n1CCC ZINC000100672873 570428009 /nfs/dbraw/zinc/42/80/09/570428009.db2.gz VRPNFNJQRVLNNN-VXPUYCOJSA-N 0 0 375.476 4.549 50 0 GJAARN CC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2CCC(C)C)cc1 ZINC000239309377 570429038 /nfs/dbraw/zinc/42/90/38/570429038.db2.gz HMFLCOGHDAOZKE-UDKICSLYSA-N 0 0 384.564 5.708 50 0 GJAARN C[C@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 ZINC000239338708 570429334 /nfs/dbraw/zinc/42/93/34/570429334.db2.gz KZUDQFQQDYTJBX-CYFREDJKSA-N 0 0 387.527 4.706 50 0 GJAARN CCCCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc21 ZINC000005149586 570430387 /nfs/dbraw/zinc/43/03/87/570430387.db2.gz BPHREVVITZWDTR-UHFFFAOYSA-N 0 0 392.434 4.642 50 0 GJAARN CCc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1 ZINC000032953829 570433900 /nfs/dbraw/zinc/43/39/00/570433900.db2.gz LKADEVMHQYFIRF-UHFFFAOYSA-N 0 0 390.487 4.586 50 0 GJAARN COc1ccc(-c2cc(C(=O)COc3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000005317368 570434000 /nfs/dbraw/zinc/43/40/00/570434000.db2.gz BMMAZHTXSXWLOA-UHFFFAOYSA-N 0 0 377.227 4.654 50 0 GJAARN Cc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1C ZINC000032953837 570434095 /nfs/dbraw/zinc/43/40/95/570434095.db2.gz HBHIECOLPKBFEG-UHFFFAOYSA-N 0 0 390.487 4.641 50 0 GJAARN Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)c(C)cc1CN1CCOCC1 ZINC000027529593 570435269 /nfs/dbraw/zinc/43/52/69/570435269.db2.gz AXSGCYFRKIYWGW-UHFFFAOYSA-N 0 0 394.298 4.662 50 0 GJAARN O=C(NCc1cccc2[nH]ccc21)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000011813377 570436168 /nfs/dbraw/zinc/43/61/68/570436168.db2.gz CCYFUNJCQRJTBX-UHFFFAOYSA-N 0 0 381.435 4.830 50 0 GJAARN Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1C ZINC000027583043 570436935 /nfs/dbraw/zinc/43/69/35/570436935.db2.gz CZOJTKRDUCIRLL-MRXNPFEDSA-N 0 0 379.460 4.883 50 0 GJAARN Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027747660 570441691 /nfs/dbraw/zinc/44/16/91/570441691.db2.gz KPRKIFZSEYRPMF-LJQANCHMSA-N 0 0 382.891 4.962 50 0 GJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)C2CCC2)C(C)(C)C)o1 ZINC000035764689 570443171 /nfs/dbraw/zinc/44/31/71/570443171.db2.gz WMPVPHWIEMEOSQ-UHFFFAOYSA-N 0 0 396.531 4.544 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000027838988 570444134 /nfs/dbraw/zinc/44/41/34/570444134.db2.gz BKGXRKSVNNYPQC-HZPDHXFCSA-N 0 0 396.409 4.721 50 0 GJAARN COc1cccc(Cc2nsc(NCc3cccc(C(F)(F)F)c3)n2)c1 ZINC000035771004 570445438 /nfs/dbraw/zinc/44/54/38/570445438.db2.gz OPNGYXJIUBECQX-UHFFFAOYSA-N 0 0 379.407 4.768 50 0 GJAARN CC[C@@H](C)[C@H](C(=O)Nc1c(C)cc(C)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001910533 570446869 /nfs/dbraw/zinc/44/68/69/570446869.db2.gz CNNMRPJXAJIPCW-BFUOFWGJSA-N 0 0 398.890 4.606 50 0 GJAARN CSc1ncc(Cl)c(C(=O)Sc2ccc(Br)cc2)n1 ZINC000039165326 570500398 /nfs/dbraw/zinc/50/03/98/570500398.db2.gz KEMFHQGQEQJGHG-UHFFFAOYSA-N 0 0 375.700 4.547 50 0 GJAARN O=c1nc(SCc2ccc(Cl)cc2)c2c(n1Cc1ccccc1)CCC2 ZINC000027992640 570448662 /nfs/dbraw/zinc/44/86/62/570448662.db2.gz NUUXBSWRAUOZCP-UHFFFAOYSA-N 0 0 382.916 4.726 50 0 GJAARN CCOc1ccccc1C1=CCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)CC1 ZINC000125371187 570449538 /nfs/dbraw/zinc/44/95/38/570449538.db2.gz JSUUBFCEVPWFRX-UHFFFAOYSA-N 0 0 393.512 4.775 50 0 GJAARN CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)COC3)n(Cc2ccccc2)n1 ZINC000064387741 570449697 /nfs/dbraw/zinc/44/96/97/570449697.db2.gz ZKXFJFKJRUVBGB-UHFFFAOYSA-N 0 0 375.472 4.511 50 0 GJAARN CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(CC)cc32)c1 ZINC000011990267 570452515 /nfs/dbraw/zinc/45/25/15/570452515.db2.gz OBEYVHWXJZNWNQ-UHFFFAOYSA-N 0 0 392.455 4.894 50 0 GJAARN CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)ns2)c1 ZINC000028287252 570454168 /nfs/dbraw/zinc/45/41/68/570454168.db2.gz OHEOWLXGPPUQPJ-UHFFFAOYSA-N 0 0 383.473 4.645 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1Cl ZINC000028287027 570454195 /nfs/dbraw/zinc/45/41/95/570454195.db2.gz HQSKPGBZHDONBE-LLVKDONJSA-N 0 0 384.819 4.579 50 0 GJAARN CCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000028288586 570455136 /nfs/dbraw/zinc/45/51/36/570455136.db2.gz WZBUVKBJVBUVKQ-UHFFFAOYSA-N 0 0 380.513 4.880 50 0 GJAARN COc1ccc(Cn2nccc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000028292705 570456755 /nfs/dbraw/zinc/45/67/55/570456755.db2.gz CTGIVVKQYCLURP-UHFFFAOYSA-N 0 0 397.478 4.711 50 0 GJAARN O=C(NCc1ccncc1)c1cc2sccc2n1Cc1ccccc1Cl ZINC000035811075 570457125 /nfs/dbraw/zinc/45/71/25/570457125.db2.gz AWZWNHDNNLFZFR-UHFFFAOYSA-N 0 0 381.888 4.730 50 0 GJAARN C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028293725 570457587 /nfs/dbraw/zinc/45/75/87/570457587.db2.gz OKVMSRJFPQZWQR-HNNXBMFYSA-N 0 0 384.838 4.875 50 0 GJAARN O=C(Nc1cccc(N2CCOC2=O)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000072273995 570458036 /nfs/dbraw/zinc/45/80/36/570458036.db2.gz DQNCZBSXXHJQGV-NRFANRHFSA-N 0 0 391.471 4.717 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)CSCc2nc3ccccc3s2)cc1 ZINC000028326263 570458120 /nfs/dbraw/zinc/45/81/20/570458120.db2.gz ZTSZXTPAVDWEDS-SFHVURJKSA-N 0 0 398.553 4.902 50 0 GJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1cccs1 ZINC000028404492 570459109 /nfs/dbraw/zinc/45/91/09/570459109.db2.gz QXOUEURSJIYCKR-OAHLLOKOSA-N 0 0 383.517 4.696 50 0 GJAARN Clc1ccccc1-c1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 ZINC000006507291 570460234 /nfs/dbraw/zinc/46/02/34/570460234.db2.gz YQDFYWPQCVWBJC-MRXNPFEDSA-N 0 0 385.920 4.918 50 0 GJAARN C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn21)C(=O)c1ccc(Cl)cc1 ZINC000024141062 570461351 /nfs/dbraw/zinc/46/13/51/570461351.db2.gz NPVJUDDNWFPZEW-SECBINFHSA-N 0 0 385.798 4.765 50 0 GJAARN COc1ccc(CN(C)C(=O)COc2ccc(Oc3ccccc3)cc2)cc1 ZINC000006509636 570461958 /nfs/dbraw/zinc/46/19/58/570461958.db2.gz ZOHXZVVCNZHWBC-UHFFFAOYSA-N 0 0 377.440 4.525 50 0 GJAARN OCc1cnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1cccc(F)c1 ZINC000035841263 570463972 /nfs/dbraw/zinc/46/39/72/570463972.db2.gz HNGGJJKIMIDMOG-UHFFFAOYSA-N 0 0 396.409 4.874 50 0 GJAARN Cc1nc2cc(C(=O)OCCOc3ccc(C)cc3)ccc2n1-c1ccccc1 ZINC000006516854 570464866 /nfs/dbraw/zinc/46/48/66/570464866.db2.gz BSPLTRWNUOWJGP-UHFFFAOYSA-N 0 0 386.451 4.878 50 0 GJAARN COC(=O)c1ccc(OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c(OC)c1 ZINC000028855913 570465136 /nfs/dbraw/zinc/46/51/36/570465136.db2.gz HMYFPXAJRLGICQ-UHFFFAOYSA-N 0 0 396.439 4.599 50 0 GJAARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1Cl ZINC000028909542 570466306 /nfs/dbraw/zinc/46/63/06/570466306.db2.gz SCGGWKILTGOOOL-SNVBAGLBSA-N 0 0 375.881 4.706 50 0 GJAARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@@]21NCCc2c3ccccc3[nH]c21 ZINC000019890847 570468650 /nfs/dbraw/zinc/46/86/50/570468650.db2.gz HEHNRBQRNGNKME-PVPMGCCUSA-N 0 0 399.538 4.752 50 0 biogenic GJAARN Cc1ccc2[nH]c(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)nc2c1 ZINC000006537155 570470272 /nfs/dbraw/zinc/47/02/72/570470272.db2.gz MEIGTFSSWOQVSP-UHFFFAOYSA-N 0 0 381.288 4.612 50 0 GJAARN COc1ccccc1CN(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006542568 570472260 /nfs/dbraw/zinc/47/22/60/570472260.db2.gz PMQCXJPHFMLXHQ-JOCHJYFZSA-N 0 0 378.447 4.646 50 0 GJAARN COc1ccccc1CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006542564 570472279 /nfs/dbraw/zinc/47/22/79/570472279.db2.gz PMQCXJPHFMLXHQ-QFIPXVFZSA-N 0 0 378.447 4.646 50 0 GJAARN COc1ccccc1[C@@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000006249150 570473907 /nfs/dbraw/zinc/47/39/07/570473907.db2.gz HXFKBUGOAVGLTR-RDPSFJRHSA-N 0 0 386.451 4.946 50 0 GJAARN COc1ccc(-c2nc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)cs2)cc1 ZINC000029611927 570476748 /nfs/dbraw/zinc/47/67/48/570476748.db2.gz NLVUFCMIZUXULM-KBPBESRZSA-N 0 0 384.423 4.670 50 0 GJAARN CSC1=N[C@@H](c2ccccc2)C=C(C(O)(c2ccccc2)c2ccccc2)N1 ZINC000006408250 570479413 /nfs/dbraw/zinc/47/94/13/570479413.db2.gz GPAXSHYGCADKMB-OAQYLSRUSA-N 0 0 386.520 4.870 50 0 GJAARN CCC(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000035944055 570481938 /nfs/dbraw/zinc/48/19/38/570481938.db2.gz AAFRYZFHKZDYGI-KRWDZBQOSA-N 0 0 393.531 4.601 50 0 GJAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 ZINC000030183849 570486720 /nfs/dbraw/zinc/48/67/20/570486720.db2.gz BPPPLWWDJZZTCL-UHFFFAOYSA-N 0 0 389.542 4.518 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000064580029 570487769 /nfs/dbraw/zinc/48/77/69/570487769.db2.gz VBUNYNSMVRUTSS-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN c1ccc([C@@H](NCc2ccc(OCc3ccncc3)cc2)c2ccccn2)cc1 ZINC000030544694 570490742 /nfs/dbraw/zinc/49/07/42/570490742.db2.gz AJILMVKGGDUJLL-RUZDIDTESA-N 0 0 381.479 4.935 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)o1 ZINC000005173053 570492021 /nfs/dbraw/zinc/49/20/21/570492021.db2.gz WLZUSRMEIZKGTB-UHFFFAOYSA-N 0 0 377.469 4.774 50 0 GJAARN CCCCc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000002030421 570492829 /nfs/dbraw/zinc/49/28/29/570492829.db2.gz GIRYWYFGJLAOGL-UHFFFAOYSA-N 0 0 375.262 4.831 50 0 GJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1ncc2ccccn21 ZINC000030764991 570495625 /nfs/dbraw/zinc/49/56/25/570495625.db2.gz XYEWCUVPMIEHRU-UHFFFAOYSA-N 0 0 377.469 4.660 50 0 GJAARN O=C(CSc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000005192074 570499302 /nfs/dbraw/zinc/49/93/02/570499302.db2.gz DJVNRHVSROFXAJ-UHFFFAOYSA-N 0 0 394.477 4.647 50 0 GJAARN COc1ccc(CC(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000006607873 570499673 /nfs/dbraw/zinc/49/96/73/570499673.db2.gz UUAYZCKMKFQAEM-VWLOTQADSA-N 0 0 399.446 4.886 50 0 GJAARN Cc1ccc(C)c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 ZINC000006609772 570501611 /nfs/dbraw/zinc/50/16/11/570501611.db2.gz PRJQTMYZSYPQNO-UHFFFAOYSA-N 0 0 376.243 4.571 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000061718691 570501749 /nfs/dbraw/zinc/50/17/49/570501749.db2.gz UMWMWSAVNJLUQL-UHFFFAOYSA-N 0 0 389.238 4.925 50 0 GJAARN C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000072295519 570503137 /nfs/dbraw/zinc/50/31/37/570503137.db2.gz JXCYJIRNVKSOAB-IBGZPJMESA-N 0 0 396.494 4.696 50 0 GJAARN c1csc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c1 ZINC000002707203 570506178 /nfs/dbraw/zinc/50/61/78/570506178.db2.gz HCIYGSKPFCTAAW-RTWAWAEBSA-N 0 0 384.464 4.552 50 0 GJAARN Cc1cc(C)nc(SCc2nnc(SC(C)C)n2-c2ccc(F)cc2)n1 ZINC000002706379 570506246 /nfs/dbraw/zinc/50/62/46/570506246.db2.gz GOPIIQJKYPIEAP-UHFFFAOYSA-N 0 0 389.525 4.606 50 0 GJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccc(F)cc3)c(C)c21 ZINC000006623849 570507832 /nfs/dbraw/zinc/50/78/32/570507832.db2.gz DDFOASUNUXEDPH-UHFFFAOYSA-N 0 0 379.387 4.785 50 0 biogenic GJAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2C)CCS3)cc1 ZINC000002719780 570507853 /nfs/dbraw/zinc/50/78/53/570507853.db2.gz IGCSMUSHZGCMCP-UHFFFAOYSA-N 0 0 380.538 4.790 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000007610614 570510125 /nfs/dbraw/zinc/51/01/25/570510125.db2.gz FBAOSZLHEZSUNO-UHFFFAOYSA-N 0 0 392.455 4.641 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)cc1 ZINC000002762915 570512287 /nfs/dbraw/zinc/51/22/87/570512287.db2.gz MEDFBFGWPJHGIR-UHFFFAOYSA-N 0 0 398.418 4.891 50 0 GJAARN Cc1ccc(NC(=O)Cn2c(C(=O)OC(C)C)cc3ccsc32)c(Cl)c1 ZINC000064659077 570513130 /nfs/dbraw/zinc/51/31/30/570513130.db2.gz BYCRAMARAPCQQK-UHFFFAOYSA-N 0 0 390.892 4.869 50 0 GJAARN COc1cccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(C)cc2)CC3)c1 ZINC000064659937 570513220 /nfs/dbraw/zinc/51/32/20/570513220.db2.gz MHWIOOYFZNUFIY-UHFFFAOYSA-N 0 0 379.485 4.717 50 0 GJAARN CCCOC(=O)c1c(NC(=O)c2cccc(OCCC)c2)sc2c1CCC2 ZINC000002750565 570513327 /nfs/dbraw/zinc/51/33/27/570513327.db2.gz JHHNFOOCUIGEEX-UHFFFAOYSA-N 0 0 387.501 4.845 50 0 GJAARN CCS[C@@H]1CC[C@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 ZINC000072303495 570514288 /nfs/dbraw/zinc/51/42/88/570514288.db2.gz PEYPQVSPDYSGKM-LSDHHAIUSA-N 0 0 385.957 4.787 50 0 GJAARN Cc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)cs3)c2N)cc1C ZINC000064664396 570516016 /nfs/dbraw/zinc/51/60/16/570516016.db2.gz IRUPMMYSOXQHIK-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)c(C)c1 ZINC000064664394 570516023 /nfs/dbraw/zinc/51/60/23/570516023.db2.gz LAZGNVHWCGJTCY-UHFFFAOYSA-N 0 0 375.501 4.874 50 0 GJAARN COc1ccc2cc([C@@H](C)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2c1 ZINC000072304831 570516593 /nfs/dbraw/zinc/51/65/93/570516593.db2.gz UDXGTDVWXHYBLY-QGZVFWFLSA-N 0 0 392.474 4.507 50 0 GJAARN CCOc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000032998428 570517532 /nfs/dbraw/zinc/51/75/32/570517532.db2.gz YWWPPEZVTFWSLZ-UHFFFAOYSA-N 0 0 390.439 4.599 50 0 GJAARN O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCC[C@@H]1c1ccco1 ZINC000033012286 570517935 /nfs/dbraw/zinc/51/79/35/570517935.db2.gz 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O=C(COc1ccc(Br)cc1Br)c1ccc(F)cc1 ZINC000003515756 570610076 /nfs/dbraw/zinc/61/00/76/570610076.db2.gz JYVPLMZMQGCMME-UHFFFAOYSA-N 0 0 388.030 4.612 50 0 GJAARN CCc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1 ZINC000006808393 570610144 /nfs/dbraw/zinc/61/01/44/570610144.db2.gz MACIALVUIDQAHF-UHFFFAOYSA-N 0 0 383.494 4.517 50 0 GJAARN O=C(NCc1ccccc1F)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955687 570612050 /nfs/dbraw/zinc/61/20/50/570612050.db2.gz ONSJFZVWYLQQOE-UHFFFAOYSA-N 0 0 393.849 4.807 50 0 GJAARN C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1)c1ccco1 ZINC000064955633 570612105 /nfs/dbraw/zinc/61/21/05/570612105.db2.gz IFSRCZXFMRSBPF-AWEZNQCLSA-N 0 0 379.847 4.822 50 0 GJAARN Cc1cccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 ZINC000005505535 570615648 /nfs/dbraw/zinc/61/56/48/570615648.db2.gz HBVPQOFSBHZTQI-IBGZPJMESA-N 0 0 393.512 4.891 50 0 GJAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C(CC)CC ZINC000005500869 570619041 /nfs/dbraw/zinc/61/90/41/570619041.db2.gz 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/nfs/dbraw/zinc/62/76/29/570627629.db2.gz BSTQIIUYNUXDFE-UHFFFAOYSA-N 0 0 385.423 4.876 50 0 GJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc(-c2ccccc2)cc1)CC3 ZINC000012388935 570630768 /nfs/dbraw/zinc/63/07/68/570630768.db2.gz IQRJTJOBCQEZBJ-UHFFFAOYSA-N 0 0 396.490 4.971 50 0 GJAARN COc1cccc(CN(C)N2c3ccccc3[C@@H](c3ccccc3)C2=O)c1Cl ZINC000044125142 570632134 /nfs/dbraw/zinc/63/21/34/570632134.db2.gz YXAMKLSSJRYFIA-OAQYLSRUSA-N 0 0 392.886 4.874 50 0 GJAARN CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036357206 570637448 /nfs/dbraw/zinc/63/74/48/570637448.db2.gz QLYMCBQGZCWQOZ-OAQYLSRUSA-N 0 0 376.500 4.516 50 0 GJAARN CCCC[C@@H](CC)C(=O)Nc1nnc(SCc2cccc(OC)c2)s1 ZINC000006834617 570637517 /nfs/dbraw/zinc/63/75/17/570637517.db2.gz ABKWTOSPNQKESV-CQSZACIVSA-N 0 0 379.551 4.994 50 0 GJAARN C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000012390388 570642737 /nfs/dbraw/zinc/64/27/37/570642737.db2.gz WIZPIGIYXYPHQS-AWEZNQCLSA-N 0 0 375.447 4.552 50 0 GJAARN CN(C)C(=O)[C@H](Sc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 ZINC000006843099 570644963 /nfs/dbraw/zinc/64/49/63/570644963.db2.gz RIKAFBWFRUUSHO-OAHLLOKOSA-N 0 0 387.555 4.585 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3Cl)s2)cs1 ZINC000012396716 570646695 /nfs/dbraw/zinc/64/66/95/570646695.db2.gz ZVWSKHXJEVGLIR-UHFFFAOYSA-N 0 0 380.897 4.945 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)NCC(C)C)cc2c1OCC(C)C ZINC000065023086 570648976 /nfs/dbraw/zinc/64/89/76/570648976.db2.gz KDQHVHCRPKMYKU-UHFFFAOYSA-N 0 0 378.494 4.500 50 0 GJAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccc(F)cc2)cc1 ZINC000065030436 570651085 /nfs/dbraw/zinc/65/10/85/570651085.db2.gz JGHJGIPEEMJAQP-UHFFFAOYSA-N 0 0 388.446 4.994 50 0 GJAARN COc1cccc([C@H](C)N(Cc2csc(-c3ccoc3)n2)c2cnn(C)c2)c1 ZINC000072313463 570651520 /nfs/dbraw/zinc/65/15/20/570651520.db2.gz BUFYTAJIDKQHRO-HNNXBMFYSA-N 0 0 394.500 4.913 50 0 GJAARN COc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000065031532 570652462 /nfs/dbraw/zinc/65/24/62/570652462.db2.gz 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CC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004342007 570677059 /nfs/dbraw/zinc/67/70/59/570677059.db2.gz YHQYJTRGQRQHPW-UHFFFAOYSA-N 0 0 378.306 4.542 50 0 GJAARN CCN1C[C@@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1=O ZINC000012539324 570678482 /nfs/dbraw/zinc/67/84/82/570678482.db2.gz QIZRBBHXGGBHGL-ZDUSSCGKSA-N 0 0 388.298 4.727 50 0 GJAARN Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Br)o2)CCS1 ZINC000219280493 570679183 /nfs/dbraw/zinc/67/91/83/570679183.db2.gz RPBLJAUHKJCZAE-OAHLLOKOSA-N 0 0 380.307 4.671 50 0 GJAARN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc(Cl)sc1Cl ZINC000004348523 570680377 /nfs/dbraw/zinc/68/03/77/570680377.db2.gz HIEUFDPPUYGOMQ-UHFFFAOYSA-N 0 0 387.269 4.688 50 0 GJAARN Cc1nc(S[C@H](C)C(=O)NCCC2=CCCCC2)[nH]c1Cc1ccccc1 ZINC000008706525 570681015 /nfs/dbraw/zinc/68/10/15/570681015.db2.gz HDTNBEFXWMITNJ-QGZVFWFLSA-N 0 0 383.561 4.796 50 0 GJAARN Cc1ccccc1[C@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)CCS1 ZINC000219288430 570681026 /nfs/dbraw/zinc/68/10/26/570681026.db2.gz PBSHTGWUPGQFMJ-LJQANCHMSA-N 0 0 397.569 4.777 50 0 GJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000239439115 570683609 /nfs/dbraw/zinc/68/36/09/570683609.db2.gz ZLQKVQPQSXSLMN-RDPSFJRHSA-N 0 0 384.435 4.966 50 0 GJAARN COc1ccc(Cl)cc1Nc1ncncc1-c1nc(-c2ccccc2)no1 ZINC000169775675 570684826 /nfs/dbraw/zinc/68/48/26/570684826.db2.gz FVDHTXVXBMBMLK-UHFFFAOYSA-N 0 0 379.807 4.599 50 0 GJAARN Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)c12 ZINC000169774022 570685559 /nfs/dbraw/zinc/68/55/59/570685559.db2.gz VJDAHAQUJNQPCI-GOSISDBHSA-N 0 0 388.471 4.943 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000065085306 570688645 /nfs/dbraw/zinc/68/86/45/570688645.db2.gz MKSOETCZFMJWFY-UHFFFAOYSA-N 0 0 385.510 4.758 50 0 GJAARN CCc1cccc(N(C#N)Cc2nnc(-c3cccc(Br)c3)o2)c1 ZINC000156046632 570689779 /nfs/dbraw/zinc/68/97/79/570689779.db2.gz DHXNJZWPFUXVQP-UHFFFAOYSA-N 0 0 383.249 4.549 50 0 GJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(OC)c(OC)c1 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C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000006901487 570696552 /nfs/dbraw/zinc/69/65/52/570696552.db2.gz WJDRAEIDUYQWGI-INIZCTEOSA-N 0 0 397.902 4.673 50 0 GJAARN Cc1nnc2c(Nc3ccc(C)cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006901718 570696928 /nfs/dbraw/zinc/69/69/28/570696928.db2.gz QPGVFZICRVDUTJ-UHFFFAOYSA-N 0 0 393.450 4.869 50 0 GJAARN O=C(CSC1=NC2(CCCC2)Nc2ccccc21)Nc1ccc(F)cc1F ZINC000006902021 570697476 /nfs/dbraw/zinc/69/74/76/570697476.db2.gz KSAKVRUNAVIYGJ-UHFFFAOYSA-N 0 0 387.455 4.779 50 0 GJAARN COc1ccc(Sc2ccc(NC(=O)[C@@H](C)n3ccnc3)cc2Cl)cc1 ZINC000058004851 570706271 /nfs/dbraw/zinc/70/62/71/570706271.db2.gz YBZIAOFKFKCOFG-CYBMUJFWSA-N 0 0 387.892 4.896 50 0 GJAARN C[C@H](NC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000065136653 570707859 /nfs/dbraw/zinc/70/78/59/570707859.db2.gz QNMXMTJWXFSEBX-ROUUACIJSA-N 0 0 397.494 4.727 50 0 GJAARN Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 ZINC000065136559 570707897 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CCc1ccc(NC(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)nc2C)cc1 ZINC000021917186 570759006 /nfs/dbraw/zinc/75/90/06/570759006.db2.gz MOIQUODCGKHYOB-UHFFFAOYSA-N 0 0 397.478 4.568 50 0 GJAARN COc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 ZINC000004424250 570759781 /nfs/dbraw/zinc/75/97/81/570759781.db2.gz PHKVIRMTMAZKOL-PGRDOPGGSA-N 0 0 378.403 4.978 50 0 GJAARN CC[C@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F ZINC000065380369 570763122 /nfs/dbraw/zinc/76/31/22/570763122.db2.gz CZNCGMCFTHSUSC-MRXNPFEDSA-N 0 0 385.414 4.516 50 0 GJAARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc2cc(Cl)ccc2o1 ZINC000013628715 570764200 /nfs/dbraw/zinc/76/42/00/570764200.db2.gz HZAKIKMKSBOJBM-UHFFFAOYSA-N 0 0 388.210 4.720 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCS[C@H](c2ccco2)CC1 ZINC000207007414 570770841 /nfs/dbraw/zinc/77/08/41/570770841.db2.gz TWBZFELCYKXOEF-KRWDZBQOSA-N 0 0 379.909 4.797 50 0 GJAARN COc1cc2c(cc1OC)[C@H](NC(=O)Cc1cn(C(C)C)c3ccccc13)CC2 ZINC000524734637 570771926 /nfs/dbraw/zinc/77/19/26/570771926.db2.gz XKEKSUVRWFVWDK-HXUWFJFHSA-N 0 0 392.499 4.586 50 0 GJAARN COc1ccc(-n2cc3c(n2)c(C)nnc3-c2ccc(Br)cc2)cc1 ZINC000096601912 570774179 /nfs/dbraw/zinc/77/41/79/570774179.db2.gz IMXXBIZUXRYMNN-UHFFFAOYSA-N 0 0 395.260 4.562 50 0 GJAARN CC(C)n1nc(C(=O)Oc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O ZINC000007058465 570775397 /nfs/dbraw/zinc/77/53/97/570775397.db2.gz VVDSGSWJDBBNHI-UHFFFAOYSA-N 0 0 377.227 4.503 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000007057117 570775478 /nfs/dbraw/zinc/77/54/78/570775478.db2.gz DIBJKCPXSKBJEU-UHFFFAOYSA-N 0 0 394.212 4.577 50 0 GJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)C1 ZINC000036638659 570775748 /nfs/dbraw/zinc/77/57/48/570775748.db2.gz IGBLQQDUEWOXKB-CQSZACIVSA-N 0 0 377.941 4.600 50 0 GJAARN O=C(CC1CCCCC1)Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1 ZINC000065272560 570778818 /nfs/dbraw/zinc/77/88/18/570778818.db2.gz OHJLKFOGOOZDEK-UHFFFAOYSA-N 0 0 384.524 4.565 50 0 GJAARN Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000013730441 570782744 /nfs/dbraw/zinc/78/27/44/570782744.db2.gz RXBSUTDVEAKCHS-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN CCC[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 ZINC000036661652 570783116 /nfs/dbraw/zinc/78/31/16/570783116.db2.gz VJZKYQACSOQKBV-QGZVFWFLSA-N 0 0 377.488 4.525 50 0 GJAARN CC(C)c1nc2oc3c(ncn(CCc4ccccc4)c3=O)c2c2c1CCCC2 ZINC000013734272 570783734 /nfs/dbraw/zinc/78/37/34/570783734.db2.gz IAKOIWVMSLCOIC-UHFFFAOYSA-N 0 0 387.483 4.783 50 0 GJAARN Cc1cc(C)cc(C(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000169754714 570785159 /nfs/dbraw/zinc/78/51/59/570785159.db2.gz JQYITOKLHDMYIC-UHFFFAOYSA-N 0 0 393.462 4.587 50 0 GJAARN Cc1sc2c(ncn(C(C)C)c2=O)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000065297391 570787051 /nfs/dbraw/zinc/78/70/51/570787051.db2.gz IXZNVWHPHWCOEZ-UHFFFAOYSA-N 0 0 375.881 4.561 50 0 GJAARN CCc1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2ccccc2Cl)cc1 ZINC000065296414 570787112 /nfs/dbraw/zinc/78/71/12/570787112.db2.gz AAAFULOTBIFBMG-UHFFFAOYSA-N 0 0 390.874 4.542 50 0 GJAARN c1nc2sc3c(c2c(Sc2nnc(NC4CC4)s2)n1)CCCCC3 ZINC000032735910 570788513 /nfs/dbraw/zinc/78/85/13/570788513.db2.gz WRYOVYNUWYXFBQ-UHFFFAOYSA-N 0 0 375.548 4.537 50 0 GJAARN CCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 ZINC000032736622 570788969 /nfs/dbraw/zinc/78/89/69/570788969.db2.gz SMVCCKOGZYWFBZ-UHFFFAOYSA-N 0 0 399.493 4.664 50 0 GJAARN C[C@@H](NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1)c1ccccn1 ZINC000065307614 570789011 /nfs/dbraw/zinc/78/90/11/570789011.db2.gz UJRIUUQCNLEXFY-CQSZACIVSA-N 0 0 376.847 4.541 50 0 GJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2)c1 ZINC000013776579 570789505 /nfs/dbraw/zinc/78/95/05/570789505.db2.gz ACOVWVRQYXXCPT-ISKFKSNPSA-N 0 0 386.451 4.946 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(F)cc1Br ZINC000010541089 570791556 /nfs/dbraw/zinc/79/15/56/570791556.db2.gz PUCXGOUBEMYWJF-UHFFFAOYSA-N 0 0 388.240 4.643 50 0 GJAARN COc1ccc(C)cc1[C@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000036703957 570792745 /nfs/dbraw/zinc/79/27/45/570792745.db2.gz WYHDVSHGHRSJAV-ZDUSSCGKSA-N 0 0 395.528 4.994 50 0 GJAARN CCCCn1c(SCc2cc(-c3ccco3)on2)nnc1[C@H](CC)N(C)C ZINC000032745311 570792752 /nfs/dbraw/zinc/79/27/52/570792752.db2.gz BTTJHCPWPHUSEC-HNNXBMFYSA-N 0 0 389.525 4.631 50 0 GJAARN Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C(C)C)n2)cc1 ZINC000010864824 570792809 /nfs/dbraw/zinc/79/28/09/570792809.db2.gz CPDGZZKGRMBBNW-UHFFFAOYSA-N 0 0 392.484 4.628 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000036700080 570794705 /nfs/dbraw/zinc/79/47/05/570794705.db2.gz LHAWJRCNPJYNDB-SFHVURJKSA-N 0 0 388.920 4.714 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1Cl ZINC000005830852 570796378 /nfs/dbraw/zinc/79/63/78/570796378.db2.gz UYHSSGRCHJHUBK-JTQLQIEISA-N 0 0 377.774 4.836 50 0 GJAARN COc1ccc2c(c1)nc(SCc1nnnn1C1CC1)cc2-c1ccccc1 ZINC000032754373 570797180 /nfs/dbraw/zinc/79/71/80/570797180.db2.gz IKWPHZNWYTYAPT-UHFFFAOYSA-N 0 0 389.484 4.524 50 0 GJAARN CCCCOCCCNC(=O)CCC(=O)NC1CCCCCCCCCCC1 ZINC000013896722 570799837 /nfs/dbraw/zinc/79/98/37/570799837.db2.gz BJVVIQJRSJKVOI-UHFFFAOYSA-N 0 0 396.616 4.879 50 0 GJAARN CC(C)(C)c1cc(NC(=O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)on1 ZINC000032777469 570799930 /nfs/dbraw/zinc/79/99/30/570799930.db2.gz MTHQUYKKZNEQCA-UHFFFAOYSA-N 0 0 395.425 4.594 50 0 GJAARN COc1ccc(OC)c(Nc2c(-c3ccc(SC)cc3)nc3cnccn32)c1 ZINC000065323321 570800548 /nfs/dbraw/zinc/80/05/48/570800548.db2.gz SPLHEQLHJKTECU-UHFFFAOYSA-N 0 0 392.484 4.879 50 0 GJAARN COc1cc(OC)c(C2=CCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)c(OC)c1 ZINC000022186231 570800939 /nfs/dbraw/zinc/80/09/39/570800939.db2.gz FYPXXRAFUKYFSJ-XMSQKQJNSA-N 0 0 399.531 4.567 50 0 GJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000065331282 570801746 /nfs/dbraw/zinc/80/17/46/570801746.db2.gz ICWXPYPWGSGIAH-SFHVURJKSA-N 0 0 381.863 4.789 50 0 GJAARN CC[C@H](C)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000005908879 570803172 /nfs/dbraw/zinc/80/31/72/570803172.db2.gz JFIBDCNTUWDVRS-ZDUSSCGKSA-N 0 0 387.439 4.640 50 0 biogenic GJAARN O=C(CCCc1nc2cccnc2n1Cc1ccccc1)NC1CCCCCC1 ZINC000033072506 570804240 /nfs/dbraw/zinc/80/42/40/570804240.db2.gz MTBZQLQHXHOCPN-UHFFFAOYSA-N 0 0 390.531 4.641 50 0 GJAARN Cc1csc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 ZINC000005936576 570805445 /nfs/dbraw/zinc/80/54/45/570805445.db2.gz MNZGDBATZIRQHX-UHFFFAOYSA-N 0 0 377.878 4.671 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2Cl)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078903 570805397 /nfs/dbraw/zinc/80/53/97/570805397.db2.gz BTMXQMIZCWLTQC-UHFFFAOYSA-N 0 0 386.908 4.814 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2F)sc2ncnc(N3CCCC3)c12 ZINC000033078837 570805446 /nfs/dbraw/zinc/80/54/46/570805446.db2.gz RXWMZDYCMPTOHE-UHFFFAOYSA-N 0 0 390.871 4.645 50 0 GJAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(N(C)C)cc3)ccc2n1 ZINC000033084677 570806309 /nfs/dbraw/zinc/80/63/09/570806309.db2.gz YVOKGVCUSPMEIF-UHFFFAOYSA-N 0 0 376.504 4.708 50 0 GJAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013936209 570806635 /nfs/dbraw/zinc/80/66/35/570806635.db2.gz ZMMUHNKLAQWOML-UHFFFAOYSA-N 0 0 397.525 4.605 50 0 GJAARN O=C1COc2ccc(C3=Nc4ccccc4S[C@@H](c4ccco4)C3)cc2N1 ZINC000005948487 570807729 /nfs/dbraw/zinc/80/77/29/570807729.db2.gz UWLSHTCMRSAIMD-HXUWFJFHSA-N 0 0 376.437 4.968 50 0 GJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2F)o1 ZINC000007167451 570809133 /nfs/dbraw/zinc/80/91/33/570809133.db2.gz UPVUIFIMCUFNDP-SECBINFHSA-N 0 0 381.816 4.550 50 0 GJAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)c(F)c2)n1-c1ccc(F)cc1 ZINC000033096836 570809758 /nfs/dbraw/zinc/80/97/58/570809758.db2.gz MCXMYOKOOVBUHK-SDQBBNPISA-N 0 0 378.353 4.973 50 0 GJAARN CC(=O)Oc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c1 ZINC000004659656 570810060 /nfs/dbraw/zinc/81/00/60/570810060.db2.gz AXJXQUJKMSULPR-BUHFOSPRSA-N 0 0 396.446 4.790 50 0 GJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1C ZINC000005995626 570812497 /nfs/dbraw/zinc/81/24/97/570812497.db2.gz DWXALSKWRXFTRU-UHFFFAOYSA-N 0 0 396.874 4.863 50 0 GJAARN CC(=O)Oc1ccc(/C=C2/SC(=Nc3ccccc3)N(C(C)C)C2=O)cc1 ZINC000004664330 570812836 /nfs/dbraw/zinc/81/28/36/570812836.db2.gz LGWXUYRPFKAFCX-AMMNAMIQSA-N 0 0 380.469 4.624 50 0 GJAARN COc1ccc(-n2c(C)nc3cc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)cc1 ZINC000004668515 570813208 /nfs/dbraw/zinc/81/32/08/570813208.db2.gz FIVFMMHDYWZEGB-VWKPWSFCSA-N 0 0 391.515 4.897 50 0 GJAARN CSc1nc2ccc(NCC(=O)N[C@H]3CCCc4ccccc43)cc2s1 ZINC000005694335 570813725 /nfs/dbraw/zinc/81/37/25/570813725.db2.gz BXFAYKIXEUZTHE-INIZCTEOSA-N 0 0 383.542 4.624 50 0 GJAARN O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC(OCc2ccccc2)CC1 ZINC000032795871 570815889 /nfs/dbraw/zinc/81/58/89/570815889.db2.gz LPKPAUWMMJXNIH-UHFFFAOYSA-N 0 0 388.511 4.868 50 0 GJAARN Cc1ccc(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000007214278 570816285 /nfs/dbraw/zinc/81/62/85/570816285.db2.gz AZJYEIZEQMXZSM-OAQYLSRUSA-N 0 0 390.508 4.587 50 0 GJAARN COc1ccc(-c2c(NC(=O)c3ccco3)oc3ccc(Cl)cc3c2=O)cc1 ZINC000101192182 570816587 /nfs/dbraw/zinc/81/65/87/570816587.db2.gz NOZZEDWTICXTJH-UHFFFAOYSA-N 0 0 395.798 4.967 50 0 GJAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCS[C@H](c2cccs2)CC1 ZINC000219547452 570820265 /nfs/dbraw/zinc/82/02/65/570820265.db2.gz BJDXRMNPUGKKLJ-HNNXBMFYSA-N 0 0 387.979 4.579 50 0 GJAARN CCCCCNC(=O)c1ccc(-c2ccc(Oc3ccccc3OC)nn2)cc1 ZINC000033130870 570821560 /nfs/dbraw/zinc/82/15/60/570821560.db2.gz HBYOYAKUCHUOIO-UHFFFAOYSA-N 0 0 391.471 4.865 50 0 GJAARN CSCC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1nc2ccccc2[nH]1 ZINC000012506855 570822658 /nfs/dbraw/zinc/82/26/58/570822658.db2.gz GBYNZLOKBRKTEY-KXBFYZLASA-N 0 0 399.585 4.963 50 0 GJAARN CC(C)COc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000012507712 570823703 /nfs/dbraw/zinc/82/37/03/570823703.db2.gz DZMCLQCQZSTHOF-FQEVSTJZSA-N 0 0 397.906 4.628 50 0 GJAARN C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012514189 570824794 /nfs/dbraw/zinc/82/47/94/570824794.db2.gz YCXZCEPJHMQYEK-GFCCVEGCSA-N 0 0 392.286 4.559 50 0 GJAARN C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NCc1ccco1 ZINC000012521488 570828431 /nfs/dbraw/zinc/82/84/31/570828431.db2.gz XDZHUBXKUJQPPU-HNNXBMFYSA-N 0 0 391.496 4.597 50 0 GJAARN C[C@@H]1CCC[C@H](N(Cc2ccco2)C(=O)NCc2noc3ccccc32)[C@H]1C ZINC000239377971 570828749 /nfs/dbraw/zinc/82/87/49/570828749.db2.gz OHFHMGKFHLUNJS-GUXCAODWSA-N 0 0 381.476 4.957 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1F)n1c(-c2cccs2)n[nH]c1=S ZINC000065511887 570828875 /nfs/dbraw/zinc/82/88/75/570828875.db2.gz JZVZYQIYGDPCHS-QMMMGPOBSA-N 0 0 382.873 4.661 50 0 GJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000014201677 570829364 /nfs/dbraw/zinc/82/93/64/570829364.db2.gz BZYZQIPYENVZBL-UHFFFAOYSA-N 0 0 397.862 4.729 50 0 GJAARN Cc1ccccc1[S@@](=O)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004682711 570829386 /nfs/dbraw/zinc/82/93/86/570829386.db2.gz PBECMKNRFIKDCK-RUZDIDTESA-N 0 0 390.917 4.518 50 0 GJAARN C[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1cccc(C(F)(F)F)c1 ZINC000012523272 570829995 /nfs/dbraw/zinc/82/99/95/570829995.db2.gz YZRKOOOZXPEXCP-CYBMUJFWSA-N 0 0 386.377 4.730 50 0 GJAARN O=C([C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccccc1)N1CCCC1 ZINC000012524972 570830061 /nfs/dbraw/zinc/83/00/61/570830061.db2.gz WRMCHMCZLSPGRB-KRWDZBQOSA-N 0 0 396.541 4.738 50 0 GJAARN COc1ccc2cc([C@H](C)C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000012526645 570831325 /nfs/dbraw/zinc/83/13/25/570831325.db2.gz UDEFIWJJDUJPBN-SFHVURJKSA-N 0 0 376.500 4.595 50 0 GJAARN Cc1cnc2c(cccc2S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000012527424 570832520 /nfs/dbraw/zinc/83/25/20/570832520.db2.gz BREJIXKVLNFZMK-HNNXBMFYSA-N 0 0 380.469 4.671 50 0 GJAARN Cc1cnc2c(cccc2S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000012527423 570832603 /nfs/dbraw/zinc/83/26/03/570832603.db2.gz BREJIXKVLNFZMK-OAHLLOKOSA-N 0 0 380.469 4.671 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)COc1ccc(Cl)cc1C ZINC000005703890 570835922 /nfs/dbraw/zinc/83/59/22/570835922.db2.gz WMWDMQSQQWYDQS-CQSZACIVSA-N 0 0 385.847 4.632 50 0 GJAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101836527 570837212 /nfs/dbraw/zinc/83/72/12/570837212.db2.gz QEHMMTDTBAELKE-SFHVURJKSA-N 0 0 393.878 4.726 50 0 GJAARN Cc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)CCCC3)cc1 ZINC000003100246 570837454 /nfs/dbraw/zinc/83/74/54/570837454.db2.gz ICLFDOXLPRZBMX-UHFFFAOYSA-N 0 0 391.496 4.835 50 0 GJAARN O=C(CSc1ccccc1F)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000007407317 570837985 /nfs/dbraw/zinc/83/79/85/570837985.db2.gz QGTWARGGOBMBEA-UHFFFAOYSA-N 0 0 396.491 4.541 50 0 GJAARN Cc1sc2nc(S[C@H](C)C(=O)Nc3cc(C)ccc3C)nc(N)c2c1C ZINC000012539263 570838208 /nfs/dbraw/zinc/83/82/08/570838208.db2.gz UOFVKSOMRXPAAG-CYBMUJFWSA-N 0 0 386.546 4.626 50 0 GJAARN NC(=O)c1ccc(Oc2ncnc3cc(-c4ccc(Cl)cc4)sc32)cc1 ZINC000014253308 570838996 /nfs/dbraw/zinc/83/89/96/570838996.db2.gz BIVHYBAFZYQLHW-UHFFFAOYSA-N 0 0 381.844 4.903 50 0 GJAARN Cc1cc2c(c(C)c1)N1C(=N[C@@](c3ccccc3)(C(F)(F)F)NC1=O)S2 ZINC000003218944 570839081 /nfs/dbraw/zinc/83/90/81/570839081.db2.gz WGYWDFXVNJYPQR-KRWDZBQOSA-N 0 0 377.391 4.710 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000003222442 570839476 /nfs/dbraw/zinc/83/94/76/570839476.db2.gz MTBAUXVCBLQQEN-UHFFFAOYSA-N 0 0 395.908 4.991 50 0 GJAARN COc1ccc(-c2nc(NC(=O)CSCc3ccccc3)sc2C)cc1 ZINC000003237229 570840147 /nfs/dbraw/zinc/84/01/47/570840147.db2.gz HIJKMEUPHIUBLL-UHFFFAOYSA-N 0 0 384.526 4.999 50 0 GJAARN CC(C)(C)c1ccc(C(=O)Nc2cnc3sc4cc(F)ccc4n3c2=O)cc1 ZINC000014291543 570840998 /nfs/dbraw/zinc/84/09/98/570840998.db2.gz JGPCEOAVNVJTDK-UHFFFAOYSA-N 0 0 395.459 4.598 50 0 GJAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000012543097 570843680 /nfs/dbraw/zinc/84/36/80/570843680.db2.gz UUWDPHRQLIOEIQ-MRXNPFEDSA-N 0 0 395.528 4.554 50 0 GJAARN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)sc1-c1ccc(F)cc1 ZINC000102241673 570843835 /nfs/dbraw/zinc/84/38/35/570843835.db2.gz UCMCLSNIBUHDCK-ZDUSSCGKSA-N 0 0 394.471 4.848 50 0 GJAARN CN(Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1CCCCC1 ZINC000012544012 570844028 /nfs/dbraw/zinc/84/40/28/570844028.db2.gz QWPJRZVDOFXNBE-UHFFFAOYSA-N 0 0 397.523 4.826 50 0 GJAARN Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)cc2)cs1 ZINC000012544258 570844840 /nfs/dbraw/zinc/84/48/40/570844840.db2.gz RMVJFEKYUIOLHY-OAQYLSRUSA-N 0 0 391.496 4.759 50 0 GJAARN COc1ccc(NC(=O)CCCc2cccs2)cc1OCc1ccncc1 ZINC000032832291 570845145 /nfs/dbraw/zinc/84/51/45/570845145.db2.gz BSXVGTNYPRJNGW-UHFFFAOYSA-N 0 0 382.485 4.692 50 0 GJAARN Cc1csc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)n1 ZINC000007454206 570845347 /nfs/dbraw/zinc/84/53/47/570845347.db2.gz UTCOKNAQWQFOIR-UHFFFAOYSA-N 0 0 394.496 4.996 50 0 GJAARN Cc1ccc(OCCC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 ZINC000012544528 570845419 /nfs/dbraw/zinc/84/54/19/570845419.db2.gz QUSAJUWUXQRBDA-OAHLLOKOSA-N 0 0 387.430 4.695 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cn1cccn1 ZINC000032832840 570845458 /nfs/dbraw/zinc/84/54/58/570845458.db2.gz KOHJIKXLVPNPSA-CYBMUJFWSA-N 0 0 390.270 4.644 50 0 GJAARN Cn1c2ccccc2nc1SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000012546264 570847415 /nfs/dbraw/zinc/84/74/15/570847415.db2.gz CLFVYRHZGMKQHP-UHFFFAOYSA-N 0 0 387.508 4.895 50 0 GJAARN CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1OCCC ZINC000007471836 570847590 /nfs/dbraw/zinc/84/75/90/570847590.db2.gz XWVRUFWCKGKUBC-UHFFFAOYSA-N 0 0 385.460 4.612 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000012550204 570851601 /nfs/dbraw/zinc/85/16/01/570851601.db2.gz UYECJRMYRWSZLF-INIZCTEOSA-N 0 0 393.249 4.777 50 0 GJAARN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000170593177 570851828 /nfs/dbraw/zinc/85/18/28/570851828.db2.gz CPMQMKKQNYXNHE-ICSRJNTNSA-N 0 0 378.497 4.708 50 0 GJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)C1(C)C ZINC000032843324 570851829 /nfs/dbraw/zinc/85/18/29/570851829.db2.gz PVRCGTNMROAQFF-SJLPKXTDSA-N 0 0 383.517 4.945 50 0 GJAARN Cc1cc2sc(N(Cc3ccccc3)C(=O)c3cnc(C)cn3)nc2c(C)c1 ZINC000014595916 570852332 /nfs/dbraw/zinc/85/23/32/570852332.db2.gz JCFXXLAQZPGHSQ-UHFFFAOYSA-N 0 0 388.496 4.859 50 0 GJAARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102565944 570852377 /nfs/dbraw/zinc/85/23/77/570852377.db2.gz DPQQUCSFXSWGNQ-ODXCJYRJSA-N 0 0 396.372 4.761 50 0 GJAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cccnc1 ZINC000102582329 570852649 /nfs/dbraw/zinc/85/26/49/570852649.db2.gz WBDSSSBPZIJYSH-IBGZPJMESA-N 0 0 387.443 4.819 50 0 GJAARN COc1cc2ccccc2cc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000014635475 570853108 /nfs/dbraw/zinc/85/31/08/570853108.db2.gz AZEXDZRAGIZTGT-QHCPKHFHSA-N 0 0 391.467 4.747 50 0 GJAARN CC(C)n1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000004704884 570853873 /nfs/dbraw/zinc/85/38/73/570853873.db2.gz CTICNKVPVIVLNT-ODLFYWEKSA-N 0 0 393.874 4.969 50 0 GJAARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000102625465 570854766 /nfs/dbraw/zinc/85/47/66/570854766.db2.gz ADUZBXJVJSOBOG-RNODOKPDSA-N 0 0 392.846 4.702 50 0 GJAARN COc1cccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)c1 ZINC000004715794 570856085 /nfs/dbraw/zinc/85/60/85/570856085.db2.gz BHLDUPXQVPUYBV-AUSIDOKSSA-N 0 0 390.439 4.848 50 0 GJAARN Cc1nc2scc(-c3cccs3)c2c(SCC(=O)NC(C)(C)C)n1 ZINC000003328329 570857112 /nfs/dbraw/zinc/85/71/12/570857112.db2.gz LKUJRCRMJTVDEE-UHFFFAOYSA-N 0 0 377.560 4.735 50 0 GJAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1c2ccccc2C[C@H]1C ZINC000032865562 570862983 /nfs/dbraw/zinc/86/29/83/570862983.db2.gz HHWKTRBNYSXXLG-OAHLLOKOSA-N 0 0 386.455 4.864 50 0 GJAARN O=C(NCc1ccccc1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000033257015 570863839 /nfs/dbraw/zinc/86/38/39/570863839.db2.gz KOZYNFDKANVLNQ-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN C[C@@H]1Cc2c(sc(NC(=O)c3ccco3)c2C(=O)OC(C)(C)C)[C@@H](C)O1 ZINC000170607589 570864773 /nfs/dbraw/zinc/86/47/73/570864773.db2.gz GJBPQJYMMVVBQJ-GHMZBOCLSA-N 0 0 377.462 4.571 50 0 GJAARN CCOc1ccc(N[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1OCC ZINC000012561798 570866118 /nfs/dbraw/zinc/86/61/18/570866118.db2.gz WBOQCTANNZOWGY-GFCCVEGCSA-N 0 0 387.505 4.572 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261078 570866472 /nfs/dbraw/zinc/86/64/72/570866472.db2.gz QPPFYOCERAPYPB-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN CC[C@H](Sc1nnc(-c2ccco2)n1C(C)C)C(=O)Nc1ccccc1F ZINC000013956575 570868257 /nfs/dbraw/zinc/86/82/57/570868257.db2.gz JIHIACLSNSDRAP-INIZCTEOSA-N 0 0 388.468 4.768 50 0 GJAARN Cc1nc([C@H](C)NC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cs1 ZINC000014980333 570869392 /nfs/dbraw/zinc/86/93/92/570869392.db2.gz NLVVVXVYCWPNLW-NSHDSACASA-N 0 0 381.432 4.890 50 0 GJAARN CC[C@@H](Nc1ncnc2sc(C(=O)N3CCCC3)c(C)c21)c1cccs1 ZINC000014999189 570870807 /nfs/dbraw/zinc/87/08/07/570870807.db2.gz BALYCVSOGGXCJP-CYBMUJFWSA-N 0 0 386.546 4.860 50 0 GJAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012578393 570876920 /nfs/dbraw/zinc/87/69/20/570876920.db2.gz XDDMMLLAOVQBKO-JOCHJYFZSA-N 0 0 397.478 4.972 50 0 GJAARN COc1ccc(Br)c(-c2nc(Cc3ccccc3Cl)no2)c1 ZINC000003583528 570877170 /nfs/dbraw/zinc/87/71/70/570877170.db2.gz YXJKUWKYPREJOA-UHFFFAOYSA-N 0 0 379.641 4.752 50 0 GJAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012581543 570878305 /nfs/dbraw/zinc/87/83/05/570878305.db2.gz BUMYEHKQARCGCL-IBGZPJMESA-N 0 0 388.496 4.593 50 0 GJAARN O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CC[C@H](Nc2ccccc2)C1 ZINC000170624458 570880626 /nfs/dbraw/zinc/88/06/26/570880626.db2.gz LXVLLVFFGKZGKI-SFHVURJKSA-N 0 0 380.879 4.849 50 0 GJAARN CCCS[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C)c(C)c3)nn21 ZINC000103319887 570880857 /nfs/dbraw/zinc/88/08/57/570880857.db2.gz XNVAROWFPBTHKD-NRFANRHFSA-N 0 0 378.501 4.614 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)c1 ZINC000015106938 570881155 /nfs/dbraw/zinc/88/11/55/570881155.db2.gz JUUUWFBMAORAQC-INIZCTEOSA-N 0 0 395.480 4.915 50 0 GJAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnc3ccccn32)n1 ZINC000015131099 570882039 /nfs/dbraw/zinc/88/20/39/570882039.db2.gz FIWRSUDIFGVRNA-UHFFFAOYSA-N 0 0 381.511 4.922 50 0 GJAARN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1ncoc1[C@@H]1CCCO1 ZINC000170627200 570883022 /nfs/dbraw/zinc/88/30/22/570883022.db2.gz IRQUWILXOLIBLR-KRWDZBQOSA-N 0 0 388.895 4.811 50 0 GJAARN S=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000015154019 570883073 /nfs/dbraw/zinc/88/30/73/570883073.db2.gz SUHSOMJQGFMTNK-CQSZACIVSA-N 0 0 392.315 4.570 50 0 GJAARN COc1ccc2nc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)ccc2c1 ZINC000032880031 570883422 /nfs/dbraw/zinc/88/34/22/570883422.db2.gz BIJMVCBYUAWLRY-UHFFFAOYSA-N 0 0 384.838 4.841 50 0 GJAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c1O ZINC000004729109 570883604 /nfs/dbraw/zinc/88/36/04/570883604.db2.gz LTRCRCXPTSAJRU-BUHFOSPRSA-N 0 0 384.435 4.579 50 0 GJAARN Cc1noc(COc2ccc(NC(=O)c3cc4c(s3)CCCCCC4)cc2)n1 ZINC000170626744 570883803 /nfs/dbraw/zinc/88/38/03/570883803.db2.gz ZUZYQIVGKFSDLU-UHFFFAOYSA-N 0 0 397.500 4.930 50 0 GJAARN O=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000170628979 570884235 /nfs/dbraw/zinc/88/42/35/570884235.db2.gz IXJQBDOWBMYQSL-OLZOCXBDSA-N 0 0 390.773 4.515 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c(OC)c1 ZINC000012602529 570887256 /nfs/dbraw/zinc/88/72/56/570887256.db2.gz AMFKEGAYYLKWTN-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000032898892 570888122 /nfs/dbraw/zinc/88/81/22/570888122.db2.gz QVXPWGVBSCGBBK-UHFFFAOYSA-N 0 0 397.858 4.835 50 0 GJAARN COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2=CNc1ccc(C)cc1 ZINC000103641939 570888234 /nfs/dbraw/zinc/88/82/34/570888234.db2.gz UGPZGHYTYXMSIJ-JCMHNJIXSA-N 0 0 384.435 4.644 50 0 GJAARN CCOc1ccc(CN(CC)C(=O)c2cc(C)nc3ccccc32)cc1OC ZINC000010025230 570891240 /nfs/dbraw/zinc/89/12/40/570891240.db2.gz AXIJXLZEKRZSEO-UHFFFAOYSA-N 0 0 378.472 4.613 50 0 GJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1ccc(Cl)cc1 ZINC000012617646 570891348 /nfs/dbraw/zinc/89/13/48/570891348.db2.gz APPHENPMYIWGRG-UHFFFAOYSA-N 0 0 376.790 4.522 50 0 GJAARN C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1nccs1 ZINC000042757420 570893498 /nfs/dbraw/zinc/89/34/98/570893498.db2.gz VEETVYZRJXFMBE-AWEZNQCLSA-N 0 0 377.473 4.707 50 0 GJAARN CSc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000013320017 570894794 /nfs/dbraw/zinc/89/47/94/570894794.db2.gz CODGXLQHIDTVOD-UHFFFAOYSA-N 0 0 393.915 4.551 50 0 GJAARN Cc1nc(NC(=O)CCCc2cccs2)sc1-c1nccn1C(F)F ZINC000032899768 570895680 /nfs/dbraw/zinc/89/56/80/570895680.db2.gz SNMRIBJGPPQLMF-UHFFFAOYSA-N 0 0 382.461 4.733 50 0 GJAARN CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)n1 ZINC000249680106 570896281 /nfs/dbraw/zinc/89/62/81/570896281.db2.gz AGPNLNWYOUSSOT-WDPZDACHSA-N 0 0 378.516 4.519 50 0 GJAARN Cc1noc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c(C)s2)c1C ZINC000096323538 570896497 /nfs/dbraw/zinc/89/64/97/570896497.db2.gz ZCDHADMMGMFGLH-UHFFFAOYSA-N 0 0 376.503 4.746 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000015582406 570898074 /nfs/dbraw/zinc/89/80/74/570898074.db2.gz PGXKUCATJDLVPC-GOSISDBHSA-N 0 0 377.469 4.507 50 0 GJAARN O=C(Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl)c1cccs1 ZINC000015344769 570898640 /nfs/dbraw/zinc/89/86/40/570898640.db2.gz WRYRRGGZZXLDCO-UHFFFAOYSA-N 0 0 384.888 4.626 50 0 GJAARN O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)Nc1ccccc1F ZINC000013608515 570899305 /nfs/dbraw/zinc/89/93/05/570899305.db2.gz ACQNTJBRJXVALP-UHFFFAOYSA-N 0 0 377.423 4.527 50 0 GJAARN Cc1sc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NC1CCCCC1 ZINC000097151614 570899737 /nfs/dbraw/zinc/89/97/37/570899737.db2.gz UAJFIBJNNNAOAS-UHFFFAOYSA-N 0 0 398.503 4.621 50 0 GJAARN COc1cc2c(cc1OC)CN([C@H](C)c1nc3ccccc3n1C(F)F)CC2 ZINC000032904946 570902847 /nfs/dbraw/zinc/90/28/47/570902847.db2.gz KAMCIJJBCHQIKI-CYBMUJFWSA-N 0 0 387.430 4.568 50 0 GJAARN Cc1cc(Cl)ccc1Oc1ncccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005725002 570904267 /nfs/dbraw/zinc/90/42/67/570904267.db2.gz JCUAKPZLGWDMRA-UHFFFAOYSA-N 0 0 382.803 4.817 50 0 GJAARN Cc1cccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000015778684 570904489 /nfs/dbraw/zinc/90/44/89/570904489.db2.gz LRXDHWPXIQAQHW-FQEVSTJZSA-N 0 0 387.414 4.704 50 0 GJAARN COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(OC)cc1Cl ZINC000014381564 570905016 /nfs/dbraw/zinc/90/50/16/570905016.db2.gz AQUPPHAAPLCBFZ-UHFFFAOYSA-N 0 0 392.242 4.653 50 0 GJAARN CN(C(=O)COc1ccccc1)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835539 570905845 /nfs/dbraw/zinc/90/58/45/570905845.db2.gz ITKASEDOQYPROC-JOCHJYFZSA-N 0 0 376.481 4.856 50 0 GJAARN Cc1cccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)c1 ZINC000015840555 570906253 /nfs/dbraw/zinc/90/62/53/570906253.db2.gz IQHFHNIBTPFTIJ-UHFFFAOYSA-N 0 0 382.916 4.975 50 0 GJAARN Cc1ccc2oc(SCC(=O)N(c3ccccc3)c3ccccc3)nc2n1 ZINC000015867836 570907565 /nfs/dbraw/zinc/90/75/65/570907565.db2.gz ZJSQADWTXBKUAD-UHFFFAOYSA-N 0 0 375.453 4.988 50 0 GJAARN C[C@@H]1CCCN(C(=O)c2cccc(-c3cccc4c(C(N)=O)cccc34)c2)CC1 ZINC000534645390 570909491 /nfs/dbraw/zinc/90/94/91/570909491.db2.gz IZMYHTIKLQRFHL-QGZVFWFLSA-N 0 0 386.495 4.868 50 0 GJAARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016780743 570910171 /nfs/dbraw/zinc/91/01/71/570910171.db2.gz MZBVIHQENTZHAL-ZANVPECISA-N 0 0 389.361 4.581 50 0 GJAARN CN(Cc1ccccc1)c1ccccc1NCc1nnc(-c2ccccc2)n1C ZINC000089741456 570911220 /nfs/dbraw/zinc/91/12/20/570911220.db2.gz QEMLOSMZUJQKTP-UHFFFAOYSA-N 0 0 383.499 4.731 50 0 GJAARN O=C([C@H]1C[C@H]1c1cccc(F)c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000089774409 570912040 /nfs/dbraw/zinc/91/20/40/570912040.db2.gz KTSOJSVLVTZAGA-OALUTQOASA-N 0 0 388.280 4.883 50 0 GJAARN O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1Cl ZINC000007573231 570912490 /nfs/dbraw/zinc/91/24/90/570912490.db2.gz DLUKHMMSLMNCIM-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN Cc1oc(-c2ccc(C)cc2)nc1CSc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000016840775 570913062 /nfs/dbraw/zinc/91/30/62/570913062.db2.gz XQHCNPHTONRBQO-UHFFFAOYSA-N 0 0 381.379 4.765 50 0 GJAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(Cl)cc1Cl ZINC000032911582 570914562 /nfs/dbraw/zinc/91/45/62/570914562.db2.gz MDLNIBRULXNXFT-UHFFFAOYSA-N 0 0 388.298 4.850 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cccc4ccccc43)c2C)no1 ZINC000005737999 570915461 /nfs/dbraw/zinc/91/54/61/570915461.db2.gz PRJAMVDNDPZVGC-UHFFFAOYSA-N 0 0 388.423 4.583 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000004585441 570916724 /nfs/dbraw/zinc/91/67/24/570916724.db2.gz KVWCOAVYZTYXHL-UHFFFAOYSA-N 0 0 389.842 4.600 50 0 GJAARN FC(F)(F)c1cnc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c(Cl)c1 ZINC000089851318 570917845 /nfs/dbraw/zinc/91/78/45/570917845.db2.gz FWJYOSXIEUEJEN-CQSZACIVSA-N 0 0 393.800 4.880 50 0 GJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3ncsc3c2)cs1 ZINC000016276783 570920172 /nfs/dbraw/zinc/92/01/72/570920172.db2.gz YLWXKVFERBJMNE-UHFFFAOYSA-N 0 0 377.494 4.931 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)c1 ZINC000004585485 570921443 /nfs/dbraw/zinc/92/14/43/570921443.db2.gz CYJGDXZNZZQKDN-UHFFFAOYSA-N 0 0 383.451 4.563 50 0 GJAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1c(F)cccc1Cl ZINC000004589137 570924161 /nfs/dbraw/zinc/92/41/61/570924161.db2.gz AMEWZYUDEFDZEK-ZSOIEALJSA-N 0 0 380.600 4.586 50 0 GJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 ZINC000017013173 570924226 /nfs/dbraw/zinc/92/42/26/570924226.db2.gz VVWLEMVZJMVPLL-UHFFFAOYSA-N 0 0 399.857 4.639 50 0 GJAARN C[C@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3Cl)c(C(N)=O)c2C1 ZINC000004072616 570929850 /nfs/dbraw/zinc/92/98/50/570929850.db2.gz WGKRKOHOIQWOOL-QMMMGPOBSA-N 0 0 383.300 4.531 50 0 GJAARN C[C@@H]1CN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000017247446 570929904 /nfs/dbraw/zinc/92/99/04/570929904.db2.gz CQYLDUSZLQSUFQ-OKILXGFUSA-N 0 0 398.304 4.673 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000000935588 570929932 /nfs/dbraw/zinc/92/99/32/570929932.db2.gz SAEXPGJKRMDBJX-QGZVFWFLSA-N 0 0 389.451 4.936 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1F ZINC000078413769 570933372 /nfs/dbraw/zinc/93/33/72/570933372.db2.gz ZQLDFKVNPQUUIQ-CQSZACIVSA-N 0 0 394.450 4.780 50 0 GJAARN Cc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)C[C@@H]2C)cc1 ZINC000017077176 570938916 /nfs/dbraw/zinc/93/89/16/570938916.db2.gz IMGBZANQLKPDAY-HNNXBMFYSA-N 0 0 377.410 4.756 50 0 GJAARN Clc1cccc(CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)c1 ZINC000017076884 570938979 /nfs/dbraw/zinc/93/89/79/570938979.db2.gz JEZXNOUCSWCNAY-OAHLLOKOSA-N 0 0 375.881 4.663 50 0 GJAARN Cc1c(C(=O)COc2cc(C)cc3oc(=O)c(C)c(C)c23)c2ccccc2n1C ZINC000002095154 570941223 /nfs/dbraw/zinc/94/12/23/570941223.db2.gz LKNHSFPEBSSOOC-UHFFFAOYSA-N 0 0 389.451 4.780 50 0 biogenic GJAARN O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccc(Cl)cc1 ZINC000017191778 570942646 /nfs/dbraw/zinc/94/26/46/570942646.db2.gz IKOVLGVCSBZRQU-UHFFFAOYSA-N 0 0 394.887 4.781 50 0 GJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(C)c2)cc1 ZINC000002261521 570947151 /nfs/dbraw/zinc/94/71/51/570947151.db2.gz YPRMXZAZUUYLSB-UHFFFAOYSA-N 0 0 388.492 4.995 50 0 GJAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(Cl)cc(Cl)c1 ZINC000005442290 570947254 /nfs/dbraw/zinc/94/72/54/570947254.db2.gz YMHAYHNXMCEQQT-UHFFFAOYSA-N 0 0 380.256 4.774 50 0 GJAARN O=C(CCn1ccc2ccc(Br)cc21)Nc1ccc2cc[nH]c2c1 ZINC000012664591 570947923 /nfs/dbraw/zinc/94/79/23/570947923.db2.gz QVTGDFWIGWLGFP-UHFFFAOYSA-N 0 0 382.261 4.914 50 0 biogenic GJAARN C[C@H](Oc1ccccc1)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000032936646 570948282 /nfs/dbraw/zinc/94/82/82/570948282.db2.gz IJDBDGOBBFCPNZ-LAUBAEHRSA-N 0 0 379.431 4.530 50 0 GJAARN COc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ncccn32)cc1OC ZINC000004734006 570948548 /nfs/dbraw/zinc/94/85/48/570948548.db2.gz RDQBXIZJZDLLEC-UHFFFAOYSA-N 0 0 380.835 4.811 50 0 GJAARN Cc1noc(C)c1CC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000012687126 570948966 /nfs/dbraw/zinc/94/89/66/570948966.db2.gz PUOCSVLMKYPLHF-UHFFFAOYSA-N 0 0 386.398 4.665 50 0 GJAARN O[C@@](Cn1cnc(Cl)c1Cl)(c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004105203 570950664 /nfs/dbraw/zinc/95/06/64/570950664.db2.gz XTHWQCQINJXNCB-QGZVFWFLSA-N 0 0 385.653 4.919 50 0 GJAARN CC(C)(C)Oc1ncc(-c2cc(N)cc(Br)c2)c(OC(C)(C)C)n1 ZINC000020032445 570951224 /nfs/dbraw/zinc/95/12/24/570951224.db2.gz OSRRMZLLXKCDIC-UHFFFAOYSA-N 0 0 394.313 4.843 50 0 GJAARN CCn1ncc2c1nc(-c1ccc(OC(F)F)c(OC)c1)cc2C(F)(F)F ZINC000020616029 570951938 /nfs/dbraw/zinc/95/19/38/570951938.db2.gz YABKPCHNMGFWNX-UHFFFAOYSA-N 0 0 387.308 4.747 50 0 GJAARN O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCCC[C@@H]1c1ccccc1 ZINC000020606118 570951988 /nfs/dbraw/zinc/95/19/88/570951988.db2.gz VXMNDSYXHXUJIH-OAQYLSRUSA-N 0 0 395.890 4.940 50 0 GJAARN O=C(Oc1cccc2ccccc21)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018241401 570952252 /nfs/dbraw/zinc/95/22/52/570952252.db2.gz KZSMPEBIMWPTFJ-OYRHEFFESA-N 0 0 397.430 4.515 50 0 GJAARN COc1ccc(-c2noc(CSc3nccn3-c3ccc(C)cc3)n2)cc1 ZINC000033278091 570952254 /nfs/dbraw/zinc/95/22/54/570952254.db2.gz OGGORIUYASXOIC-UHFFFAOYSA-N 0 0 378.457 4.532 50 0 GJAARN COc1c(Br)cc(Cl)cc1NC(=O)[C@@H](C)OCc1ccccc1 ZINC000032937977 570953552 /nfs/dbraw/zinc/95/35/52/570953552.db2.gz IKKYVGHYWIEPFP-LLVKDONJSA-N 0 0 398.684 4.655 50 0 GJAARN Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263616063 570954035 /nfs/dbraw/zinc/95/40/35/570954035.db2.gz GTZIECXDBWPYFI-SFHVURJKSA-N 0 0 396.809 4.664 50 0 GJAARN O=C(NCc1ccccc1Cl)c1csc(Nc2ccc(F)c(F)c2)n1 ZINC000033280754 570954404 /nfs/dbraw/zinc/95/44/04/570954404.db2.gz IHKFDZPKFZIYMN-UHFFFAOYSA-N 0 0 379.819 4.748 50 0 GJAARN CCc1c(C(=O)Nc2cccc(-c3ccccc3OC)c2)cnn1-c1ccccn1 ZINC000110924555 570956209 /nfs/dbraw/zinc/95/62/09/570956209.db2.gz AIFVXPHMEBOWAR-UHFFFAOYSA-N 0 0 398.466 4.758 50 0 GJAARN Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O ZINC000001294053 570956253 /nfs/dbraw/zinc/95/62/53/570956253.db2.gz SQWDKURBPTVTBL-UHFFFAOYSA-N 0 0 386.476 4.669 50 0 GJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1 ZINC000033289020 570956418 /nfs/dbraw/zinc/95/64/18/570956418.db2.gz PMNOLKPLDDQOKO-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN CN1C(=O)/C(=C\c2ccccc2OC(F)F)c2cc(Br)ccc21 ZINC000003311220 570956590 /nfs/dbraw/zinc/95/65/90/570956590.db2.gz FYFXWQKHMLBIKP-JYRVWZFOSA-N 0 0 380.188 4.568 50 0 GJAARN Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c32)c1 ZINC000033291879 570959236 /nfs/dbraw/zinc/95/92/36/570959236.db2.gz RMIIKJZUFXRABL-UHFFFAOYSA-N 0 0 392.459 4.803 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c(C)s2)n1 ZINC000033289998 570960711 /nfs/dbraw/zinc/96/07/11/570960711.db2.gz GHNYPQUFHPOGLK-GFCCVEGCSA-N 0 0 390.555 4.628 50 0 GJAARN CC(C)(C)[C@@H](NC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)c1cccs1 ZINC000047504463 570960775 /nfs/dbraw/zinc/96/07/75/570960775.db2.gz BLHDBJJBNJLWBU-INIZCTEOSA-N 0 0 393.896 4.641 50 0 GJAARN CC(C)(C)c1csc(-c2csc(S(=O)(=O)NCc3cccs3)c2)n1 ZINC000033297793 570961982 /nfs/dbraw/zinc/96/19/82/570961982.db2.gz RABYQZOYRWMROG-UHFFFAOYSA-N 0 0 398.600 4.709 50 0 GJAARN CSc1ncccc1C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000011286038 570963813 /nfs/dbraw/zinc/96/38/13/570963813.db2.gz BJTZDZSAOKPQOF-UHFFFAOYSA-N 0 0 382.514 4.614 50 0 GJAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc2c(c1)OCCO2 ZINC000007599237 570964748 /nfs/dbraw/zinc/96/47/48/570964748.db2.gz NNQLAMKQBHLSEG-UHFFFAOYSA-N 0 0 378.409 4.580 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2cc3cc(C)ccc3nc2C)C2CC2)c1 ZINC000025808633 570967393 /nfs/dbraw/zinc/96/73/93/570967393.db2.gz OSSCFZWAPCXJPJ-UHFFFAOYSA-N 0 0 390.483 4.674 50 0 GJAARN O=C(NCc1ccccc1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000045896321 570968101 /nfs/dbraw/zinc/96/81/01/570968101.db2.gz VSDCGXVLTMVALT-UHFFFAOYSA-N 0 0 391.471 4.859 50 0 GJAARN CSc1ccc(/C=C/C(=O)NCC2(Sc3ccccc3)CCOCC2)cc1 ZINC000211071896 570968300 /nfs/dbraw/zinc/96/83/00/570968300.db2.gz FSAMRRYEWDXYMD-FMIVXFBMSA-N 0 0 399.581 4.879 50 0 GJAARN COc1cc2cc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)[nH]c2c(OC)c1 ZINC000043773525 570969041 /nfs/dbraw/zinc/96/90/41/570969041.db2.gz KTVJVQXUCIAEFX-UHFFFAOYSA-N 0 0 393.443 4.876 50 0 GJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000083862498 570974011 /nfs/dbraw/zinc/97/40/11/570974011.db2.gz FSXFIOOFTRUDMR-KRWDZBQOSA-N 0 0 396.384 4.900 50 0 GJAARN Cc1cccc(OCC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C ZINC000012730292 570975522 /nfs/dbraw/zinc/97/55/22/570975522.db2.gz PBLNTEKLIJHBMB-UHFFFAOYSA-N 0 0 378.399 4.658 50 0 GJAARN Cc1cc(C)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(OCC(C)C)n1 ZINC000001388739 570976442 /nfs/dbraw/zinc/97/64/42/570976442.db2.gz WGOJTFFHNOZQRC-UHFFFAOYSA-N 0 0 387.423 4.585 50 0 GJAARN c1c(-c2ccccc2)sc2ncnc(Sc3n[nH]c(-c4ccncc4)n3)c12 ZINC000012735985 570978071 /nfs/dbraw/zinc/97/80/71/570978071.db2.gz NBTFMSNHLMYBPJ-UHFFFAOYSA-N 0 0 388.481 4.690 50 0 GJAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000524735585 570981228 /nfs/dbraw/zinc/98/12/28/570981228.db2.gz LRZYCZWFSHHFHS-PMACEKPBSA-N 0 0 390.512 4.769 50 0 GJAARN O=C(C[C@H](c1ccsc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000524735586 570981306 /nfs/dbraw/zinc/98/13/06/570981306.db2.gz LRZYCZWFSHHFHS-VQTJNVASSA-N 0 0 390.512 4.769 50 0 GJAARN O=C(CCc1ccc(F)c(Cl)c1)N[C@H](c1cccs1)C1CCOCC1 ZINC000585149464 570983138 /nfs/dbraw/zinc/98/31/38/570983138.db2.gz UUYQDTCFUCDUPQ-IBGZPJMESA-N 0 0 381.900 4.757 50 0 GJAARN CN(C(=O)c1ccncc1Cl)[C@@H]1CCSc2ccc(Br)cc21 ZINC000170646500 570983573 /nfs/dbraw/zinc/98/35/73/570983573.db2.gz YELYIFXETCGQOJ-CQSZACIVSA-N 0 0 397.725 4.807 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3cccc4[nH]ccc43)cs2)cc1OC ZINC000083960575 570983704 /nfs/dbraw/zinc/98/37/04/570983704.db2.gz CTABDCJKXZODHM-UHFFFAOYSA-N 0 0 379.441 4.561 50 0 GJAARN CCc1nc(NC(=O)C2CCCCC2)sc1-c1nc(-c2ccccc2)no1 ZINC000033331279 570987338 /nfs/dbraw/zinc/98/73/38/570987338.db2.gz HGUVJEJIQYRFAI-UHFFFAOYSA-N 0 0 382.489 4.941 50 0 GJAARN Cc1ccc2nc(NC(=O)Cc3csc(Nc4ccccc4)n3)sc2c1 ZINC000023235425 570990176 /nfs/dbraw/zinc/99/01/76/570990176.db2.gz 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ZINC000007614269 571001598 /nfs/dbraw/zinc/00/15/98/571001598.db2.gz DWDSFMQDSLLJBC-UHFFFAOYSA-N 0 0 378.497 4.879 50 0 GJAARN CCc1c(C)nc(SCc2nc(-c3cccc(Cl)c3)oc2C)[nH]c1=O ZINC000045924678 571001736 /nfs/dbraw/zinc/00/17/36/571001736.db2.gz KSZASEWKTWVRCE-UHFFFAOYSA-N 0 0 375.881 4.550 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)no2)cc1 ZINC000007616102 571001978 /nfs/dbraw/zinc/00/19/78/571001978.db2.gz OQFASELVFMPTPC-UHFFFAOYSA-N 0 0 379.441 4.911 50 0 GJAARN C[C@H]1CCCN(c2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc32)C1 ZINC000007615893 571001988 /nfs/dbraw/zinc/00/19/88/571001988.db2.gz IBCKMLRSTWPWJG-ZDUSSCGKSA-N 0 0 395.869 4.973 50 0 GJAARN COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000045928106 571002324 /nfs/dbraw/zinc/00/23/24/571002324.db2.gz AUKOITZWDIOFMH-JOCHJYFZSA-N 0 0 389.426 4.887 50 0 GJAARN COc1ccc(C2=NC3(CCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 ZINC000045932978 571002598 /nfs/dbraw/zinc/00/25/98/571002598.db2.gz VEQFMRQONBZMJE-UHFFFAOYSA-N 0 0 398.915 4.891 50 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COc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000014463231 210118046 /nfs/dbraw/zinc/11/80/46/210118046.db2.gz NPSAHFUDMWFSIC-UHFFFAOYSA-N 0 0 375.783 4.912 50 0 GJAARN COc1cc(CNC(=O)c2c[nH]c3ccccc23)ccc1OCc1ccccc1 ZINC000014168091 210106792 /nfs/dbraw/zinc/10/67/92/210106792.db2.gz SVMKHNIMUAKGOC-UHFFFAOYSA-N 0 0 386.451 4.686 50 0 GJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1cccs1 ZINC000014047934 210101479 /nfs/dbraw/zinc/10/14/79/210101479.db2.gz GFVCTSQMJHYFRW-MRXNPFEDSA-N 0 0 399.541 4.694 50 0 GJAARN O[C@@H](c1nc2ccccc2n1CCCOc1ccc(F)cc1)c1ccccc1 ZINC000013811625 210092214 /nfs/dbraw/zinc/09/22/14/210092214.db2.gz FDCQNYABFLRHCD-JOCHJYFZSA-N 0 0 376.431 4.726 50 0 GJAARN COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000013806040 210091803 /nfs/dbraw/zinc/09/18/03/210091803.db2.gz ZDNAZDAPSBKPLL-LPNGOHTBSA-N 0 0 396.512 4.645 50 0 GJAARN COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(C)c2)c1 ZINC000013770345 210089177 /nfs/dbraw/zinc/08/91/77/210089177.db2.gz 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GJAARN CCOc1cc2c(cc1NC(=O)c1nc(-c3ccco3)sc1C)O[C@H](C)C2 ZINC000013005978 210045381 /nfs/dbraw/zinc/04/53/81/210045381.db2.gz XBRBSTDQXGMHBV-LLVKDONJSA-N 0 0 384.457 4.686 50 0 GJAARN CCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 ZINC000012997917 210043493 /nfs/dbraw/zinc/04/34/93/210043493.db2.gz UOECFPYGPQEEBM-UHFFFAOYSA-N 0 0 390.443 4.923 50 0 GJAARN CC(=O)c1ccc(OCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000012976529 210038025 /nfs/dbraw/zinc/03/80/25/210038025.db2.gz UZQOWYHKVKICEA-JOCHJYFZSA-N 0 0 379.481 4.544 50 0 GJAARN CCOc1ccccc1NC(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000012989916 210041773 /nfs/dbraw/zinc/04/17/73/210041773.db2.gz GSYDAPKLYFEQJX-OAQYLSRUSA-N 0 0 382.504 4.650 50 0 GJAARN COc1cc(CN(C)C(=O)Cc2ccc3ccccc3c2)ccc1OC(F)F ZINC000012988198 210041794 /nfs/dbraw/zinc/04/17/94/210041794.db2.gz WAORKEXPRIHVJY-UHFFFAOYSA-N 0 0 385.410 4.651 50 0 GJAARN O=C(c1cccc(Br)c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012950343 210035665 /nfs/dbraw/zinc/03/56/65/210035665.db2.gz 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210020690 /nfs/dbraw/zinc/02/06/90/210020690.db2.gz QGPRFJQFNVOAKH-OAQYLSRUSA-N 0 0 394.515 4.747 50 0 GJAARN Cc1ccc(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000012871778 210021426 /nfs/dbraw/zinc/02/14/26/210021426.db2.gz BKGMGORBRZFVSD-UHFFFAOYSA-N 0 0 395.506 4.766 50 0 GJAARN COc1ccc([C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)C2CC2)cc1 ZINC000012855664 210018695 /nfs/dbraw/zinc/01/86/95/210018695.db2.gz GKZBTENJDMCLCC-NRFANRHFSA-N 0 0 378.497 4.629 50 0 GJAARN Cc1noc(C)c1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000012820070 210015671 /nfs/dbraw/zinc/01/56/71/210015671.db2.gz VFGPZQHCLWFJCN-UHFFFAOYSA-N 0 0 390.896 4.743 50 0 GJAARN Cc1ccc(CN(CCc2ccccc2)Cn2nc(C3CC3)[nH]c2=S)s1 ZINC000012814032 210015500 /nfs/dbraw/zinc/01/55/00/210015500.db2.gz FMGZHMUCAKRQJS-UHFFFAOYSA-N 0 0 384.574 4.890 50 0 GJAARN COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC000012809503 210013793 /nfs/dbraw/zinc/01/37/93/210013793.db2.gz KIPGENBSHONZEO-GOSISDBHSA-N 0 0 388.305 4.536 50 0 GJAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(OC(F)F)c(Cl)c3)ccc2o1 ZINC000012776798 210007055 /nfs/dbraw/zinc/00/70/55/210007055.db2.gz OKUVYHPNNQZRNZ-VIFPVBQESA-N 0 0 395.793 4.830 50 0 GJAARN COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C ZINC000012805076 210012514 /nfs/dbraw/zinc/01/25/14/210012514.db2.gz KPLMTMUJBFEIKK-YLJYHZDGSA-N 0 0 398.503 4.674 50 0 GJAARN CCOc1cc2c(cc1NC(=O)Cc1coc3cc(CC)ccc13)O[C@@H](C)C2 ZINC000012803487 210011209 /nfs/dbraw/zinc/01/12/09/210011209.db2.gz YLGARRBNYHDJHT-AWEZNQCLSA-N 0 0 379.456 4.899 50 0 GJAARN CN(C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)C(C1CC1)C1CC1 ZINC000012715163 209994460 /nfs/dbraw/zinc/99/44/60/209994460.db2.gz FSXRQFSEYMSZOM-HXUWFJFHSA-N 0 0 377.484 4.584 50 0 GJAARN Cc1ccc(O[C@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000012604445 209986089 /nfs/dbraw/zinc/98/60/89/209986089.db2.gz BYNUALWRXCCGPJ-OAHLLOKOSA-N 0 0 377.469 4.777 50 0 GJAARN CCOC(=O)c1ccc2c(c1)nc(COc1cccc3c1OC(C)(C)C3)n2CC ZINC000012659228 209992175 /nfs/dbraw/zinc/99/21/75/209992175.db2.gz RLFJQGKYZNOQHO-UHFFFAOYSA-N 0 0 394.471 4.525 50 0 GJAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1Cc1ccc(F)cc1 ZINC000012538663 209971157 /nfs/dbraw/zinc/97/11/57/209971157.db2.gz TYYWIFXMHQQHPI-HXUWFJFHSA-N 0 0 399.469 4.740 50 0 GJAARN O=C(CCC1CCN(C(=O)[C@H]2CC23CCC3)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012475135 209963806 /nfs/dbraw/zinc/96/38/06/209963806.db2.gz YNLJRPWGUIEAGS-MRXNPFEDSA-N 0 0 392.902 4.627 50 0 GJAARN CSc1ccc(C(=O)N2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012468176 209963647 /nfs/dbraw/zinc/96/36/47/209963647.db2.gz UMXOAYUMEXQGTK-QHCPKHFHSA-N 0 0 383.557 4.646 50 0 GJAARN CCC(CC)NC(=O)Cc1csc2nc(C34CC5CC(CC(C5)C3)C4)cn12 ZINC000012506793 209965909 /nfs/dbraw/zinc/96/59/09/209965909.db2.gz UUDMWUMDRLOJST-UHFFFAOYSA-N 0 0 385.577 4.711 50 0 GJAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000012449414 209960103 /nfs/dbraw/zinc/96/01/03/209960103.db2.gz SUXAYYRCIOCWPR-QGZVFWFLSA-N 0 0 398.890 4.919 50 0 GJAARN C[C@@H](Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012419347 209952579 /nfs/dbraw/zinc/95/25/79/209952579.db2.gz BGHREPMDGHNIRG-OAHLLOKOSA-N 0 0 394.452 4.941 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000012397195 209948920 /nfs/dbraw/zinc/94/89/20/209948920.db2.gz KBKGTFVZQITEDR-UHFFFAOYSA-N 0 0 391.858 4.895 50 0 GJAARN Cc1nn(C)cc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000012385932 209946606 /nfs/dbraw/zinc/94/66/06/209946606.db2.gz KXBNXXNQNBDPDW-FQEVSTJZSA-N 0 0 381.907 4.563 50 0 GJAARN CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(OCC)cc2)cc1 ZINC000011914146 209892345 /nfs/dbraw/zinc/89/23/45/209892345.db2.gz DWRBTGLUOYTRFL-UHFFFAOYSA-N 0 0 381.432 4.567 50 0 GJAARN Cc1cnc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)s1 ZINC000010624196 209862854 /nfs/dbraw/zinc/86/28/54/209862854.db2.gz JRPLPFDDUDROAD-UHFFFAOYSA-N 0 0 394.319 4.519 50 0 GJAARN CCc1cccc(C)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000010508136 209861915 /nfs/dbraw/zinc/86/19/15/209861915.db2.gz OTGBPHJMUKZYSO-UHFFFAOYSA-N 0 0 386.499 4.941 50 0 GJAARN O=C1CCCN1c1cccc(Oc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000009910402 209850378 /nfs/dbraw/zinc/85/03/78/209850378.db2.gz BXJCBWGBGHLLKW-UHFFFAOYSA-N 0 0 382.423 4.611 50 0 GJAARN CC[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(OC)cc1 ZINC000009793270 209845848 /nfs/dbraw/zinc/84/58/48/209845848.db2.gz RLDMYCWVESQPHQ-DENIHFKCSA-N 0 0 398.503 4.614 50 0 GJAARN CCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)no1 ZINC000009597911 209837908 /nfs/dbraw/zinc/83/79/08/209837908.db2.gz ZQISTOKSHWXKJL-UHFFFAOYSA-N 0 0 393.274 4.658 50 0 GJAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)cc1 ZINC000009463587 209830206 /nfs/dbraw/zinc/83/02/06/209830206.db2.gz SBCLUYDVAUZURT-UHFFFAOYSA-N 0 0 378.472 4.506 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000009231051 209818668 /nfs/dbraw/zinc/81/86/68/209818668.db2.gz DPTDONDCCMYUKX-UHFFFAOYSA-N 0 0 386.879 4.663 50 0 GJAARN COc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1 ZINC000008709894 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O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)c(F)c1 ZINC000002514516 209368216 /nfs/dbraw/zinc/36/82/16/209368216.db2.gz SFKNJLKYJCBQCP-UHFFFAOYSA-N 0 0 376.269 4.805 50 0 GJAARN O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1F ZINC000002514524 209367798 /nfs/dbraw/zinc/36/77/98/209367798.db2.gz OENCMKGUIJAPMV-UHFFFAOYSA-N 0 0 376.269 4.805 50 0 GJAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000002499221 209367431 /nfs/dbraw/zinc/36/74/31/209367431.db2.gz RCZHNTYZPLFHRB-HNNXBMFYSA-N 0 0 399.487 4.600 50 0 GJAARN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(F)cc1F ZINC000002468259 209366237 /nfs/dbraw/zinc/36/62/37/209366237.db2.gz PVQUODSDDWVNMU-UHFFFAOYSA-N 0 0 379.819 4.535 50 0 GJAARN CCC(CC)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456377 209364895 /nfs/dbraw/zinc/36/48/95/209364895.db2.gz NHCZVWDOTMMASS-FQEVSTJZSA-N 0 0 388.870 4.785 50 0 GJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccccc1 ZINC000002430555 209364095 /nfs/dbraw/zinc/36/40/95/209364095.db2.gz 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/nfs/dbraw/zinc/37/64/38/209376438.db2.gz ANBHPSNNABSMQF-UHFFFAOYSA-N 0 0 383.447 4.598 50 0 GJAARN O=C(COC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCCC1 ZINC000002648751 209375952 /nfs/dbraw/zinc/37/59/52/209375952.db2.gz VZWJRSYWQUYCFL-UHFFFAOYSA-N 0 0 392.691 4.641 50 0 GJAARN CCCn1nc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc2c1=O ZINC000002657646 209375782 /nfs/dbraw/zinc/37/57/82/209375782.db2.gz BJVBIGWCHAIQGB-UHFFFAOYSA-N 0 0 397.478 4.650 50 0 GJAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3ccc(F)cc3)cc12 ZINC000002637151 209373973 /nfs/dbraw/zinc/37/39/73/209373973.db2.gz SROUMNQVWXVRCI-UHFFFAOYSA-N 0 0 379.460 4.524 50 0 GJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc(F)cc1 ZINC000002627200 209373143 /nfs/dbraw/zinc/37/31/43/209373143.db2.gz ZCNSNAWXXSIHIT-UHFFFAOYSA-N 0 0 375.355 4.674 50 0 GJAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc(Oc2ccccc2)c1 ZINC000002635608 209372743 /nfs/dbraw/zinc/37/27/43/209372743.db2.gz ULVZBIJVPHDTDO-UHFFFAOYSA-N 0 0 398.418 4.823 50 0 GJAARN CCCCn1c(SCC(=O)c2ccc(OCC)cc2)nc2ccccc2c1=O ZINC000002625907 209372036 /nfs/dbraw/zinc/37/20/36/209372036.db2.gz DJXGHEHWPDDRFP-UHFFFAOYSA-N 0 0 396.512 4.570 50 0 GJAARN COc1ccccc1[C@]1(CCNC(=O)c2cccs2)CCO[C@H](C(C)C)C1 ZINC000002147280 209348569 /nfs/dbraw/zinc/34/85/69/209348569.db2.gz BBCRVOCQADCCJZ-SIKLNZKXSA-N 0 0 387.545 4.650 50 0 biogenic GJAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 ZINC000002430816 209363414 /nfs/dbraw/zinc/36/34/14/209363414.db2.gz OVSNEFFDQOLBEE-UHFFFAOYSA-N 0 0 379.460 4.773 50 0 GJAARN CCCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002423964 209362591 /nfs/dbraw/zinc/36/25/91/209362591.db2.gz GZOFJNTYZQAWDS-UHFFFAOYSA-N 0 0 398.825 4.515 50 0 GJAARN CCCCn1c(N)c(C(=O)N[C@H](C)CCCC(C)C)c2nc3ccccc3nc21 ZINC000002390494 209361597 /nfs/dbraw/zinc/36/15/97/209361597.db2.gz BTVPRBAHMJYXOH-MRXNPFEDSA-N 0 0 395.551 4.911 50 0 GJAARN O=c1c(Cl)cc(C(F)(F)F)cn1-c1ncc(C(F)(F)F)cc1Cl ZINC000002381113 209359764 /nfs/dbraw/zinc/35/97/64/209359764.db2.gz ZZTAHKATRATLPG-UHFFFAOYSA-N 0 0 377.071 4.577 50 0 GJAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000002351720 209359321 /nfs/dbraw/zinc/35/93/21/209359321.db2.gz PIKNGVJZUILGDT-OSPHWJPCSA-N 0 0 388.231 4.690 50 0 GJAARN COC(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)P(=O)(OC)OC)cc1 ZINC000002293795 209354975 /nfs/dbraw/zinc/35/49/75/209354975.db2.gz OAOLBXLLKDIQHR-MRXNPFEDSA-N 0 0 383.768 4.723 50 0 GJAARN COc1ccc(CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 ZINC000002299143 209354461 /nfs/dbraw/zinc/35/44/61/209354461.db2.gz XRIVVTLLFDUSGI-UHFFFAOYSA-N 0 0 382.514 4.519 50 0 GJAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)ccc1O ZINC000002271252 209353943 /nfs/dbraw/zinc/35/39/43/209353943.db2.gz VLMLGOLJFYAYBH-JOCHJYFZSA-N 0 0 390.439 4.571 50 0 GJAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000002256082 209353113 /nfs/dbraw/zinc/35/31/13/209353113.db2.gz SGSMWVCYVASRLN-DNQXCXABSA-N 0 0 392.462 4.799 50 0 GJAARN Cc1cc(C)cc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002255411 209352953 /nfs/dbraw/zinc/35/29/53/209352953.db2.gz CXVLKJCOWQFORS-UHFFFAOYSA-N 0 0 388.471 4.586 50 0 GJAARN Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000002186984 209350360 /nfs/dbraw/zinc/35/03/60/209350360.db2.gz LVULSZKYKCWUMQ-FQEVSTJZSA-N 0 0 393.487 4.551 50 0 biogenic,in-vitro GJAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1Br ZINC000002213629 209349788 /nfs/dbraw/zinc/34/97/88/209349788.db2.gz GBQPMLXXFBHSJB-UHFFFAOYSA-N 0 0 377.669 4.556 50 0 biogenic GJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccccc1F)CC2 ZINC000002201932 209349858 /nfs/dbraw/zinc/34/98/58/209349858.db2.gz RCROUZKLHAAHNC-HSZRJFAPSA-N 0 0 391.442 4.631 50 0 GJAARN COc1ccccc1[C@]1(CCNC(=O)c2cccs2)CCO[C@@H](C(C)C)C1 ZINC000002147278 209349164 /nfs/dbraw/zinc/34/91/64/209349164.db2.gz BBCRVOCQADCCJZ-DENIHFKCSA-N 0 0 387.545 4.650 50 0 biogenic GJAARN Cc1c(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cccc1[N+](=O)[O-] ZINC000001516234 209332808 /nfs/dbraw/zinc/33/28/08/209332808.db2.gz TVRMSNTZCZQCEZ-VGOFMYFVSA-N 0 0 377.183 4.555 50 0 GJAARN CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(F)cc4)c(C)s3)C(=O)[C@H]21 ZINC000002111640 209347265 /nfs/dbraw/zinc/34/72/65/209347265.db2.gz MXZBUTLPJRKJDV-YJEJQGFLSA-N 0 0 396.487 4.739 50 0 GJAARN CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000002100824 209347433 /nfs/dbraw/zinc/34/74/33/209347433.db2.gz YRTOZHWKQSHYIO-UHFFFAOYSA-N 0 0 377.440 4.925 50 0 GJAARN COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCCC2 ZINC000002081735 209345998 /nfs/dbraw/zinc/34/59/98/209345998.db2.gz CUEIUFPWGUOUMW-JLHYYAGUSA-N 0 0 387.476 4.985 50 0 GJAARN CCCC(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002054638 209345225 /nfs/dbraw/zinc/34/52/25/209345225.db2.gz JDLRDFZOHFQIOF-LLVKDONJSA-N 0 0 377.621 4.730 50 0 GJAARN Cc1c(Cl)cccc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000001786159 209340405 /nfs/dbraw/zinc/34/04/05/209340405.db2.gz CQQWWNUCWHMJQQ-UHFFFAOYSA-N 0 0 395.673 4.733 50 0 GJAARN CCCCOC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000001801381 209339901 /nfs/dbraw/zinc/33/99/01/209339901.db2.gz CRICFTWGDPIFES-UHFFFAOYSA-N 0 0 389.879 4.931 50 0 GJAARN CCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1OC ZINC000001799568 209340013 /nfs/dbraw/zinc/34/00/13/209340013.db2.gz GTALKWVVNVJTOC-WYMLVPIESA-N 0 0 397.471 4.703 50 0 GJAARN Clc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 ZINC000001398528 209326843 /nfs/dbraw/zinc/32/68/43/209326843.db2.gz NVGGHEIBFBOAHY-UHFFFAOYSA-N 0 0 383.904 4.785 50 0 GJAARN Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1 ZINC000001397433 209326917 /nfs/dbraw/zinc/32/69/17/209326917.db2.gz KPUHBJMKFSAAIJ-UHFFFAOYSA-N 0 0 380.757 4.500 50 0 GJAARN O=C(CSc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000001403831 209326423 /nfs/dbraw/zinc/32/64/23/209326423.db2.gz KFTZZLDBWQGNMI-UHFFFAOYSA-N 0 0 386.517 4.934 50 0 GJAARN Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccco4)c3)oc2c1 ZINC000001411720 209326334 /nfs/dbraw/zinc/32/63/34/209326334.db2.gz OZFOQFKVVAQLEN-UHFFFAOYSA-N 0 0 391.452 4.831 50 0 GJAARN Cc1nc(C(=O)Nc2ccccc2Cl)nn1-c1cc(Cl)cc(Cl)c1 ZINC000001385736 209325813 /nfs/dbraw/zinc/32/58/13/209325813.db2.gz MJKWERUKBOABBN-UHFFFAOYSA-N 0 0 381.650 4.788 50 0 GJAARN COc1ccc(CS/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 ZINC000001383573 209325262 /nfs/dbraw/zinc/32/52/62/209325262.db2.gz JXTMOYLVZKKVJL-FOCLMDBBSA-N 0 0 399.299 4.617 50 0 GJAARN C[C@@H]1C(=O)N(Cc2ccccc2Cl)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381842 209323717 /nfs/dbraw/zinc/32/37/17/209323717.db2.gz JGZTWWLMJLZSEZ-MRXNPFEDSA-N 0 0 390.870 4.922 50 0 GJAARN CCCCc1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)cc1 ZINC000010221044 209322244 /nfs/dbraw/zinc/32/22/44/209322244.db2.gz AADWYHATHYLZPK-UHFFFAOYSA-N 0 0 378.501 4.612 50 0 GJAARN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Br)c1 ZINC000001241673 209317994 /nfs/dbraw/zinc/31/79/94/209317994.db2.gz YVMDYJYUNLGDAD-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000001459918 209329810 /nfs/dbraw/zinc/32/98/10/209329810.db2.gz LHSXXBNPVWUOJW-KRWDZBQOSA-N 0 0 378.472 4.599 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1cccc(OCc3ccccc3)c1)CC(=O)N2 ZINC000001460054 209329685 /nfs/dbraw/zinc/32/96/85/209329685.db2.gz OCJDSPRTIJNMLJ-IBGZPJMESA-N 0 0 389.451 4.757 50 0 GJAARN O=C(COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000001433008 209328524 /nfs/dbraw/zinc/32/85/24/209328524.db2.gz JVYMTPZWGWZDBA-SJORKVTESA-N 0 0 377.465 4.772 50 0 GJAARN CCOc1ccc([C@H](NC(=O)c2ccccc2OC)c2ccc(OC)cc2)cc1 ZINC000001211454 209314906 /nfs/dbraw/zinc/31/49/06/209314906.db2.gz QMCHWRKKSOPMIA-HSZRJFAPSA-N 0 0 391.467 4.622 50 0 GJAARN O=C1S/C(=C\c2ccc(Br)o2)C(=O)N1c1cccc(Cl)c1 ZINC000001206948 209313763 /nfs/dbraw/zinc/31/37/63/209313763.db2.gz OJGLFKHPHRONMN-XFFZJAGNSA-N 0 0 384.638 4.936 50 0 GJAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)nc2c1 ZINC000001185966 209311712 /nfs/dbraw/zinc/31/17/12/209311712.db2.gz JWVVQXFWYBDYDN-UHFFFAOYSA-N 0 0 393.493 4.992 50 0 GJAARN O=C(NCc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000001179396 209311160 /nfs/dbraw/zinc/31/11/60/209311160.db2.gz DGCGKTWSXPPELA-UHFFFAOYSA-N 0 0 395.305 4.661 50 0 GJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000001174772 209309685 /nfs/dbraw/zinc/30/96/85/209309685.db2.gz KMQPAHMWPNDADU-UHFFFAOYSA-N 0 0 397.544 4.591 50 0 GJAARN COC(=O)c1ccc(Nc2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000001149115 209306355 /nfs/dbraw/zinc/30/63/55/209306355.db2.gz FVOUDGLMUXNFGG-UHFFFAOYSA-N 0 0 384.439 4.772 50 0 GJAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cccc(Br)c1 ZINC000001148596 209306440 /nfs/dbraw/zinc/30/64/40/209306440.db2.gz PCHUMCMNBWLANF-UHFFFAOYSA-N 0 0 380.241 4.932 50 0 GJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cc2ccccc2o1 ZINC000001146048 209306298 /nfs/dbraw/zinc/30/62/98/209306298.db2.gz RFHYVQMMINDWNX-UHFFFAOYSA-N 0 0 399.903 4.813 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000001140872 209305692 /nfs/dbraw/zinc/30/56/92/209305692.db2.gz GYZJCEQKRMONMJ-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Br)c1 ZINC000001113925 209303135 /nfs/dbraw/zinc/30/31/35/209303135.db2.gz NFPHIBBWTAVIKI-UHFFFAOYSA-N 0 0 380.257 4.903 50 0 GJAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc(F)c(Cl)c1 ZINC000001109430 209300748 /nfs/dbraw/zinc/30/07/48/209300748.db2.gz PEQLJPZMILXWLD-UHFFFAOYSA-N 0 0 393.039 4.913 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(Br)cc1 ZINC000001101155 209299497 /nfs/dbraw/zinc/29/94/97/209299497.db2.gz WOFAKAXFFDIMAM-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000001088220 209300197 /nfs/dbraw/zinc/30/01/97/209300197.db2.gz YBQISPZPVVXWQE-UHFFFAOYSA-N 0 0 384.479 4.693 50 0 GJAARN O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccccc1 ZINC000001086645 209297872 /nfs/dbraw/zinc/29/78/72/209297872.db2.gz ADNOQNYPWNRMIF-HXUWFJFHSA-N 0 0 398.384 4.756 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2nc3ccccc3o2)cc1 ZINC000001072016 209296995 /nfs/dbraw/zinc/29/69/95/209296995.db2.gz GLRIOZVRDWYPQD-QGZVFWFLSA-N 0 0 384.457 4.514 50 0 GJAARN Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 ZINC000001063389 209295639 /nfs/dbraw/zinc/29/56/39/209295639.db2.gz XMRMBLLRVOEHCU-HOTGVXAUSA-N 0 0 390.821 4.988 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC ZINC000001065461 209295912 /nfs/dbraw/zinc/29/59/12/209295912.db2.gz FZFLDJHBSWIHBL-UHFFFAOYSA-N 0 0 378.266 4.807 50 0 GJAARN O=c1c2ccccc2nc(-c2ccccc2)n1OCc1c(Cl)cccc1Cl ZINC000001040782 209292730 /nfs/dbraw/zinc/29/27/30/209292730.db2.gz QEZNTRMJQXHZRE-UHFFFAOYSA-N 0 0 397.261 4.999 50 0 GJAARN CCOC(=O)c1ccc(OC(=O)c2cccnc2Oc2ccccc2)c(Cl)c1 ZINC000001036327 209291915 /nfs/dbraw/zinc/29/19/15/209291915.db2.gz OIMPWOSKHOIXEP-UHFFFAOYSA-N 0 0 397.814 4.923 50 0 GJAARN Cc1cccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)c1 ZINC000001058268 209293841 /nfs/dbraw/zinc/29/38/41/209293841.db2.gz ZPGOSOOGSPXOJW-UHFFFAOYSA-N 0 0 379.423 4.561 50 0 GJAARN CS(=O)(=O)n1ncc(Sc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000001047947 209293659 /nfs/dbraw/zinc/29/36/59/209293659.db2.gz FJWKOIUNBQQPNV-UHFFFAOYSA-N 0 0 399.324 4.816 50 0 GJAARN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)Oc1ccccc1 ZINC000001058012 209293393 /nfs/dbraw/zinc/29/33/93/209293393.db2.gz ONUNWYLPLQNNSR-JOCHJYFZSA-N 0 0 399.450 4.506 50 0 biogenic GJAARN Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000001039198 209291707 /nfs/dbraw/zinc/29/17/07/209291707.db2.gz ITONUYDDQFTXSQ-LJQANCHMSA-N 0 0 395.528 4.917 50 0 GJAARN Cn1nc(-c2ccc(Br)s2)c(Br)c1C(F)(F)F ZINC000001037729 209291748 /nfs/dbraw/zinc/29/17/48/209291748.db2.gz VHVIZVRHNLZLHJ-UHFFFAOYSA-N 0 0 390.022 4.692 50 0 GJAARN CCOc1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001003670 209288942 /nfs/dbraw/zinc/28/89/42/209288942.db2.gz LJZWKGZWWBAURP-UHFFFAOYSA-N 0 0 390.508 4.730 50 0 GJAARN CC(C)N1C(=O)S/C(=C\c2cccn2-c2cccc(Br)c2)C1=O ZINC000001008444 209288629 /nfs/dbraw/zinc/28/86/29/209288629.db2.gz YFAYFACWNJKPDW-GDNBJRDFSA-N 0 0 391.290 4.685 50 0 GJAARN O=S(=O)(c1ccc(Oc2ccccc2)nc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000001025458 209289782 /nfs/dbraw/zinc/28/97/82/209289782.db2.gz YUBRYHDRYPLAKW-HXUWFJFHSA-N 0 0 398.459 4.539 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)c3ccccc3n2)c(OC)c1 ZINC000000996630 209287148 /nfs/dbraw/zinc/28/71/48/209287148.db2.gz HZEDRLOAQPUSCR-UHFFFAOYSA-N 0 0 399.450 4.875 50 0 GJAARN CC[C@H](OC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000000991669 209285739 /nfs/dbraw/zinc/28/57/39/209285739.db2.gz NNTLUHREARCXAS-NRFANRHFSA-N 0 0 387.435 4.757 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)c(Cl)c1 ZINC000000983257 209285752 /nfs/dbraw/zinc/28/57/52/209285752.db2.gz DAVIPYYSDWQXJR-UHFFFAOYSA-N 0 0 396.697 4.710 50 0 GJAARN CC(=O)Oc1ccc2cc(-c3nc(-c4ccccc4)c(C)s3)c(=O)oc2c1 ZINC000000976506 209285474 /nfs/dbraw/zinc/28/54/74/209285474.db2.gz VMOKIJWDYIXJLW-UHFFFAOYSA-N 0 0 377.421 4.817 50 0 GJAARN O=C(Nc1cccc(Cl)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000000969821 209285291 /nfs/dbraw/zinc/28/52/91/209285291.db2.gz JWUBCNMCXKWCAB-QGOAFFKASA-N 0 0 382.872 4.811 50 0 GJAARN CC(=O)c1cc(OC(=O)c2cccc(C)c2)ccc1OC(=O)c1cccc(C)c1 ZINC000000958666 209283726 /nfs/dbraw/zinc/28/37/26/209283726.db2.gz HQZBFBNHACMCHP-UHFFFAOYSA-N 0 0 388.419 4.944 50 0 GJAARN Cc1sc2ncnc(SCC(=O)Nc3ccc(F)c(Cl)c3)c2c1C ZINC000000952971 209283495 /nfs/dbraw/zinc/28/34/95/209283495.db2.gz DSMOYBLDALHOQJ-UHFFFAOYSA-N 0 0 381.885 4.831 50 0 GJAARN COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3ncnc2N)cc1 ZINC000000920564 209279374 /nfs/dbraw/zinc/27/93/74/209279374.db2.gz UBVKHPDOPUBORV-UHFFFAOYSA-N 0 0 376.363 4.516 50 0 GJAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)N1CCCc2ccccc21 ZINC000000888491 209275551 /nfs/dbraw/zinc/27/55/51/209275551.db2.gz AMGZVHSLFCDSKE-UHFFFAOYSA-N 0 0 395.553 4.642 50 0 GJAARN O=C(NC1CCCCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000865984 209274487 /nfs/dbraw/zinc/27/44/87/209274487.db2.gz NPYPPDWCUIABSE-DLBZAZTESA-N 0 0 392.425 4.606 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000000832896 209270250 /nfs/dbraw/zinc/27/02/50/209270250.db2.gz FHKLUTDTYBZNKL-MRXNPFEDSA-N 0 0 385.423 4.810 50 0 GJAARN CC[C@H](C)n1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000034914146 209268681 /nfs/dbraw/zinc/26/86/81/209268681.db2.gz IDVXNGWYTGYUCU-DKNZLLBESA-N 0 0 391.446 4.844 50 0 GJAARN CC[C@@H](C)n1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000034914145 209267873 /nfs/dbraw/zinc/26/78/73/209267873.db2.gz IDVXNGWYTGYUCU-GEYIUBJWSA-N 0 0 391.446 4.844 50 0 GJAARN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C(C)(C)C ZINC000000798264 209266527 /nfs/dbraw/zinc/26/65/27/209266527.db2.gz OGJDFNOSRLJSDT-UHFFFAOYSA-N 0 0 391.489 4.594 50 0 GJAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000000771828 209263716 /nfs/dbraw/zinc/26/37/16/209263716.db2.gz ZYSWBDASMRTCDG-ZKKFKWFVSA-N 0 0 399.877 4.911 50 0 GJAARN CCOc1ccc(CCNC(=O)c2cc3ccccc3cc2OC)cc1OCC ZINC000000718336 209261689 /nfs/dbraw/zinc/26/16/89/209261689.db2.gz TYJLYHZTAROUHH-UHFFFAOYSA-N 0 0 393.483 4.618 50 0 biogenic GJAARN Cc1sc2ncnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1C ZINC000000710245 209261361 /nfs/dbraw/zinc/26/13/61/209261361.db2.gz QZXQEKOJVMKGQV-UHFFFAOYSA-N 0 0 392.450 4.654 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cccnc1Cl)CCCCCC2 ZINC000000694505 209260639 /nfs/dbraw/zinc/26/06/39/209260639.db2.gz UXRQTJZAGLFROJ-UHFFFAOYSA-N 0 0 392.908 4.885 50 0 GJAARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000706475 209260643 /nfs/dbraw/zinc/26/06/43/209260643.db2.gz ZWTIHMWHBJYSPJ-NRFANRHFSA-N 0 0 378.472 4.734 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4o3)cc2)cc1 ZINC000000696131 209260317 /nfs/dbraw/zinc/26/03/17/209260317.db2.gz IMDWCHOEUOARGO-UHFFFAOYSA-N 0 0 392.480 4.722 50 0 GJAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)C(C)(C)C ZINC000000679577 209259615 /nfs/dbraw/zinc/25/96/15/209259615.db2.gz VKZXKOBQPSDHIS-UHFFFAOYSA-N 0 0 399.541 4.831 50 0 GJAARN Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000000681059 209259365 /nfs/dbraw/zinc/25/93/65/209259365.db2.gz GLZRHPFUGDRELY-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN CC(C)(C)c1cc(OC(=O)c2ccccc2I)ccc1O ZINC000000683030 209259176 /nfs/dbraw/zinc/25/91/76/209259176.db2.gz BVCNCFJTHXAEML-UHFFFAOYSA-N 0 0 396.224 4.514 50 0 GJAARN COC(=O)c1c(NC(=O)c2cc(C)oc2C)sc2c1-c1ccccc1CC2 ZINC000000648608 209255157 /nfs/dbraw/zinc/25/51/57/209255157.db2.gz PHGNNBZJNPTWQA-UHFFFAOYSA-N 0 0 381.453 4.762 50 0 GJAARN COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1 ZINC000000658369 209256441 /nfs/dbraw/zinc/25/64/41/209256441.db2.gz BLWNUFUTCUDORO-UHFFFAOYSA-N 0 0 394.858 4.782 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000633188 209253301 /nfs/dbraw/zinc/25/33/01/209253301.db2.gz SBKSCBCUBQURNK-UHFFFAOYSA-N 0 0 387.863 4.847 50 0 GJAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c1C ZINC000000640411 209254261 /nfs/dbraw/zinc/25/42/61/209254261.db2.gz PORAJPYXAQNKBN-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000000645129 209253710 /nfs/dbraw/zinc/25/37/10/209253710.db2.gz KVWXLUSJOXOIHN-MRVPVSSYSA-N 0 0 380.094 4.785 50 0 GJAARN CCOC(=O)c1cc(C(=O)Nc2ccccc2OC)n2ccc3ccccc3c12 ZINC000000624955 209251835 /nfs/dbraw/zinc/25/18/35/209251835.db2.gz ZIIFAEBYFNVUQY-UHFFFAOYSA-N 0 0 388.423 4.530 50 0 GJAARN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C)cc2-c2cc(C)nn21 ZINC000000627835 209251849 /nfs/dbraw/zinc/25/18/49/209251849.db2.gz BCYDNGZETYONBH-LJQANCHMSA-N 0 0 384.277 4.910 50 0 GJAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1C ZINC000000630037 209251300 /nfs/dbraw/zinc/25/13/00/209251300.db2.gz NSXRYJLOQQRICO-SNDHGLFQSA-N 0 0 379.459 4.700 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000009136349 209249854 /nfs/dbraw/zinc/24/98/54/209249854.db2.gz OVQCXVDOBRLTPZ-UHFFFAOYSA-N 0 0 392.405 4.697 50 0 GJAARN C/C=C/c1ccc(OCC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)c(OC)c1 ZINC000019310881 209235193 /nfs/dbraw/zinc/23/51/93/209235193.db2.gz FKGJGUZHRZKFDX-BMOUEYTDSA-N 0 0 383.488 4.629 50 0 GJAARN CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000005555927 209232480 /nfs/dbraw/zinc/23/24/80/209232480.db2.gz HEYMFPHIOZXSAN-UHFFFAOYSA-N 0 0 375.350 4.516 50 0 GJAARN O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nc(-c2cccnc2)cs1 ZINC000263587118 209224238 /nfs/dbraw/zinc/22/42/38/209224238.db2.gz CITCKGIVAUAOSK-KRWDZBQOSA-N 0 0 380.498 4.686 50 0 GJAARN Cc1ccc(C)n1CCCCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000263587745 209224424 /nfs/dbraw/zinc/22/44/24/209224424.db2.gz KSVSCFPXNUJOBG-QFIPXVFZSA-N 0 0 392.547 4.916 50 0 GJAARN O=C(c1cc(Cl)ccc1Cl)N1CCC(Oc2ccncc2Cl)CC1 ZINC000253473816 209219099 /nfs/dbraw/zinc/21/90/99/209219099.db2.gz YTRIEVYOJOMSNE-UHFFFAOYSA-N 0 0 385.678 4.725 50 0 GJAARN O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cc2ccccc2s1 ZINC000244983795 209215473 /nfs/dbraw/zinc/21/54/73/209215473.db2.gz IRDPNINDSTUYAS-LJQANCHMSA-N 0 0 385.535 4.690 50 0 GJAARN COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)OC1(CCCCC1)CC3=O ZINC000217945633 209184134 /nfs/dbraw/zinc/18/41/34/209184134.db2.gz WDEHJJXEMLVMMB-QGZVFWFLSA-N 0 0 392.451 4.804 50 0 biogenic GJAARN Cc1cc2occ(CC(=O)Nc3sccc3C(=O)NC3CC3)c2cc1C(C)C ZINC000060111845 212061456 /nfs/dbraw/zinc/06/14/56/212061456.db2.gz IPUQGKPPTZNKMP-UHFFFAOYSA-N 0 0 396.512 5.000 50 0 GJAARN Cc1cc2c(c(SCc3ccccc3F)n1)C(=O)N(Cc1ccccc1)C2=O ZINC000001405584 212061237 /nfs/dbraw/zinc/06/12/37/212061237.db2.gz FAKLHCGNPXXAKS-UHFFFAOYSA-N 0 0 392.455 4.618 50 0 GJAARN CCOC(=O)Cc1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001443691 212061256 /nfs/dbraw/zinc/06/12/56/212061256.db2.gz TWCIQYIZMSOBOF-UHFFFAOYSA-N 0 0 380.271 4.784 50 0 GJAARN Cc1cccnc1-c1nc(-c2ccccc2-c2noc(-c3ncccc3C)n2)no1 ZINC000299804032 212041786 /nfs/dbraw/zinc/04/17/86/212041786.db2.gz SVDWWVZAUDKNID-UHFFFAOYSA-N 0 0 396.410 4.527 50 0 GJAARN O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@H]1CCc1ccccn1 ZINC000299799586 212038548 /nfs/dbraw/zinc/03/85/48/212038548.db2.gz SMJGKTSYFKINKA-FQEVSTJZSA-N 0 0 376.460 4.756 50 0 GJAARN Cc1ccccc1-c1nnnn1CCSc1ncc(C(F)(F)F)cc1Cl ZINC000263639648 212030924 /nfs/dbraw/zinc/03/09/24/212030924.db2.gz BXPCBQKYSKSNEL-UHFFFAOYSA-N 0 0 399.829 4.508 50 0 GJAARN CCCCn1nc(C)c(/C=C\C(=O)Nc2ccccc2N2CCCC2)c1Cl ZINC000096401303 203834157 /nfs/dbraw/zinc/83/41/57/203834157.db2.gz QVRKXPAGEAKBED-QXMHVHEDSA-N 0 0 386.927 4.897 50 0 GJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccccc1Cl ZINC000009037164 203839597 /nfs/dbraw/zinc/83/95/97/203839597.db2.gz IMRLJAZEIANKCI-UHFFFAOYSA-N 0 0 396.899 4.852 50 0 GJAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(O)cc21 ZINC000000653403 203845432 /nfs/dbraw/zinc/84/54/32/203845432.db2.gz YHGFHBTXYJFDEN-UHFFFAOYSA-N 0 0 388.261 4.643 50 0 biogenic GJAARN COC1CCN(c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 ZINC000245026592 203812568 /nfs/dbraw/zinc/81/25/68/203812568.db2.gz NBYUDDYKVMWPJA-UHFFFAOYSA-N 0 0 378.394 4.573 50 0 GJAARN COc1cccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)c1 ZINC000001447987 203822160 /nfs/dbraw/zinc/82/21/60/203822160.db2.gz IFVHPEOKWFQWJJ-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 biogenic GJAARN O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1F ZINC000009660066 203827748 /nfs/dbraw/zinc/82/77/48/203827748.db2.gz KCSHSKUGXBFIGI-UHFFFAOYSA-N 0 0 377.346 4.991 50 0 GJAARN COc1ccc2oc(=O)c(-c3cn4c(n3)sc3cc(Cl)ccc34)cc2c1 ZINC000001183918 203893799 /nfs/dbraw/zinc/89/37/99/203893799.db2.gz YZTBWTIOXWZMAU-UHFFFAOYSA-N 0 0 382.828 4.984 50 0 GJAARN Cc1cc(C)cc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000001182948 203894602 /nfs/dbraw/zinc/89/46/02/203894602.db2.gz RVSRNCIPNWOLDO-UHFFFAOYSA-N 0 0 383.300 4.502 50 0 GJAARN Cc1cccc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000001200231 203895293 /nfs/dbraw/zinc/89/52/93/203895293.db2.gz IXGAZYKHEBEPOG-UHFFFAOYSA-N 0 0 378.303 4.964 50 0 GJAARN COc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000000787395 203853818 /nfs/dbraw/zinc/85/38/18/203853818.db2.gz IYCWKTUZCFGKMM-UHFFFAOYSA-N 0 0 381.215 4.640 50 0 GJAARN COc1ccc(O[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000000836812 203859090 /nfs/dbraw/zinc/85/90/90/203859090.db2.gz SGLCLIAYQZRAHX-MRXNPFEDSA-N 0 0 388.678 4.509 50 0 GJAARN Cc1ccc(C)c(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c1 ZINC000000911083 203865036 /nfs/dbraw/zinc/86/50/36/203865036.db2.gz OQIPURBFPIQVKF-AWEZNQCLSA-N 0 0 377.724 4.903 50 0 GJAARN Cc1ccc(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 ZINC000000949203 203866221 /nfs/dbraw/zinc/86/62/21/203866221.db2.gz UJBGRYASZDUZAZ-UHFFFAOYSA-N 0 0 382.843 4.895 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC000000943483 203867012 /nfs/dbraw/zinc/86/70/12/203867012.db2.gz LDNFKGRACXOJOG-CEFACKQISA-N 0 0 399.512 4.710 50 0 GJAARN Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1C1CCCCC1 ZINC000000952421 203867649 /nfs/dbraw/zinc/86/76/49/203867649.db2.gz JIJGTQGIFVAGGW-UHFFFAOYSA-N 0 0 395.532 4.561 50 0 GJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)n2C)cc1 ZINC000001077027 203880290 /nfs/dbraw/zinc/88/02/90/203880290.db2.gz 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205107560 /nfs/dbraw/zinc/10/75/60/205107560.db2.gz VNRLTCJRFBHPEI-UHFFFAOYSA-N 0 0 397.450 4.596 50 0 GJAARN CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccc[nH]3)s2)cc1 ZINC000048264236 205116423 /nfs/dbraw/zinc/11/64/23/205116423.db2.gz CTUXLSGXLBIYAS-SFHVURJKSA-N 0 0 381.501 4.823 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C2SCCS2)cc1 ZINC000048286780 205117989 /nfs/dbraw/zinc/11/79/89/205117989.db2.gz DUGUQLXKBMLUQC-UHFFFAOYSA-N 0 0 398.553 4.654 50 0 GJAARN CCOC(=O)c1c(=O)[nH]c2c(Cl)cccc2c1NCc1ccc(Cl)cc1 ZINC000049001497 205124455 /nfs/dbraw/zinc/12/44/55/205124455.db2.gz PZEMFSOLORXFJU-UHFFFAOYSA-N 0 0 391.254 4.624 50 0 GJAARN CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(CC(C)C)s1 ZINC000049549069 205127958 /nfs/dbraw/zinc/12/79/58/205127958.db2.gz YJHLAAHYGWZJAC-UHFFFAOYSA-N 0 0 389.550 4.579 50 0 GJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000045967357 205099581 /nfs/dbraw/zinc/09/95/81/205099581.db2.gz IFBDOYHZCWYLGH-UHFFFAOYSA-N 0 0 385.851 4.560 50 0 GJAARN CCOc1nc2ccccc2nc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000045967180 205099610 /nfs/dbraw/zinc/09/96/10/205099610.db2.gz CBBZNNYXYRBHKN-UHFFFAOYSA-N 0 0 395.768 4.953 50 0 GJAARN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)cc1 ZINC000046056420 205103289 /nfs/dbraw/zinc/10/32/89/205103289.db2.gz XUHUWSSCZBYDKE-FQEVSTJZSA-N 0 0 387.483 4.614 50 0 GJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1[C@@H](C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046057775 205103819 /nfs/dbraw/zinc/10/38/19/205103819.db2.gz DOBIISOVKKWBGY-SFHVURJKSA-N 0 0 393.874 4.760 50 0 GJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000046076460 205104579 /nfs/dbraw/zinc/10/45/79/205104579.db2.gz NQJNYALDQAGOBY-HNNXBMFYSA-N 0 0 379.437 4.627 50 0 GJAARN FC(F)(F)c1cnc(SCc2csc(-c3ncccn3)n2)c(Cl)c1 ZINC000053114907 205135234 /nfs/dbraw/zinc/13/52/34/205135234.db2.gz MHWIRSOHPMJBPR-UHFFFAOYSA-N 0 0 388.827 4.960 50 0 GJAARN Cc1cc(NC(=O)[C@H](Nc2cccc(Br)c2)c2ccccc2)no1 ZINC000053780632 205138102 /nfs/dbraw/zinc/13/81/02/205138102.db2.gz RCDJJWPVVYPQFP-QGZVFWFLSA-N 0 0 386.249 4.537 50 0 GJAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)C[C@@H]1COc2ccccc2O1 ZINC000055072316 205141990 /nfs/dbraw/zinc/14/19/90/205141990.db2.gz WZCHKZDURDGTAY-QGZVFWFLSA-N 0 0 384.863 4.575 50 0 GJAARN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccccc1C(F)(F)F ZINC000057369058 205156996 /nfs/dbraw/zinc/15/69/96/205156996.db2.gz NSEUBYUUIWGMBS-CQSZACIVSA-N 0 0 379.378 4.906 50 0 GJAARN C[C@@H](CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(C(F)(F)F)cc1 ZINC000057388926 205157232 /nfs/dbraw/zinc/15/72/32/205157232.db2.gz PEFIQWYIMCFJGV-VIFPVBQESA-N 0 0 392.299 4.545 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n[nH]2)cc1 ZINC000051315487 205131591 /nfs/dbraw/zinc/13/15/91/205131591.db2.gz DGQFEGBTXLKPMN-UHFFFAOYSA-N 0 0 391.349 4.626 50 0 GJAARN CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCCn4cccn4)o3)cc2C1 ZINC000063414436 205186210 /nfs/dbraw/zinc/18/62/10/205186210.db2.gz XZURVZHSINHTMG-CQSZACIVSA-N 0 0 388.562 4.938 50 0 GJAARN CCc1ccc2nc(-c3cnn(CC)c3)cc(C(=O)N3CCC(C)(C)C3)c2c1 ZINC000063835714 205187231 /nfs/dbraw/zinc/18/72/31/205187231.db2.gz ULDQVZLSPTWCOV-UHFFFAOYSA-N 0 0 376.504 4.553 50 0 GJAARN O=c1[nH]nc(CNCc2ccc(Sc3ccc(Cl)cc3)o2)c2ccccc12 ZINC000063857735 205187817 /nfs/dbraw/zinc/18/78/17/205187817.db2.gz KBDUGDLDWDONAU-UHFFFAOYSA-N 0 0 397.887 4.611 50 0 GJAARN Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)C)c3)nc2c1C ZINC000063857657 205187946 /nfs/dbraw/zinc/18/79/46/205187946.db2.gz KCATXBYZHHTDGJ-MRXNPFEDSA-N 0 0 376.504 4.921 50 0 GJAARN Cc1cc(=O)oc2cc(NCC(=O)N[C@@H](C)c3ccc4ccccc4c3)ccc12 ZINC000057661343 205161506 /nfs/dbraw/zinc/16/15/06/205161506.db2.gz AKTBTCHAWBVISF-INIZCTEOSA-N 0 0 386.451 4.544 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(F)cc1)CO3 ZINC000058088584 205164087 /nfs/dbraw/zinc/16/40/87/205164087.db2.gz CWYQLFXJUNNPGF-UHFFFAOYSA-N 0 0 381.447 4.935 50 0 biogenic GJAARN O=[S@@](Cc1nc(-c2ccccc2Cl)no1)Cc1cccc2ccccc21 ZINC000058130942 205164967 /nfs/dbraw/zinc/16/49/67/205164967.db2.gz KGMHDJBBHHBFHW-SANMLTNESA-N 0 0 382.872 4.992 50 0 GJAARN Cc1noc(C)c1CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000058159688 205165541 /nfs/dbraw/zinc/16/55/41/205165541.db2.gz GHSARNVAHFYZDR-UHFFFAOYSA-N 0 0 379.338 4.768 50 0 GJAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1cn2ccsc2n1)OCCO3 ZINC000058159890 205165883 /nfs/dbraw/zinc/16/58/83/205165883.db2.gz QWMSSZBXCOUCIK-HNNXBMFYSA-N 0 0 395.528 4.556 50 0 GJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000058345393 205174051 /nfs/dbraw/zinc/17/40/51/205174051.db2.gz YTZXNEHAYCLUNK-UHFFFAOYSA-N 0 0 377.341 4.507 50 0 GJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSCc1cccc2ccccc21 ZINC000058485983 205176982 /nfs/dbraw/zinc/17/69/82/205176982.db2.gz MPORVXBNBCGLBU-INIZCTEOSA-N 0 0 390.508 4.837 50 0 GJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000059272854 205178333 /nfs/dbraw/zinc/17/83/33/205178333.db2.gz ZMGWULLUQACHLZ-AREMUKBSSA-N 0 0 399.490 4.619 50 0 GJAARN O=C(NCc1cccc(OCc2ccccn2)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000058954169 205178761 /nfs/dbraw/zinc/17/87/61/205178761.db2.gz NZZFCAPPSJCUKY-UHFFFAOYSA-N 0 0 392.886 4.662 50 0 GJAARN CCOc1ccc([C@@H](NC(=O)CCc2c(C)noc2Cl)c2ccccc2)cc1 ZINC000060100764 205180303 /nfs/dbraw/zinc/18/03/03/205180303.db2.gz SNUIXLIYEPLCGD-NRFANRHFSA-N 0 0 398.890 4.874 50 0 GJAARN Cc1cccc(C)c1OC1CCN(C(=O)NCc2cc3ccccc3[nH]2)CC1 ZINC000060580711 205181856 /nfs/dbraw/zinc/18/18/56/205181856.db2.gz JUUZMFQFECYGKZ-UHFFFAOYSA-N 0 0 377.488 4.538 50 0 GJAARN Cc1cc(C)cc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1 ZINC000064894152 205200506 /nfs/dbraw/zinc/20/05/06/205200506.db2.gz DQCNLWKIBFSTJM-UHFFFAOYSA-N 0 0 390.414 4.651 50 0 GJAARN COc1ccc(OC(=O)c2cn(-c3ccc(C)cc3)c(=O)c3ccccc23)cc1 ZINC000064977194 205202897 /nfs/dbraw/zinc/20/28/97/205202897.db2.gz QIABBZITUKEWDX-UHFFFAOYSA-N 0 0 385.419 4.527 50 0 GJAARN CCCn1cc(-c2nc(-c3ccc(SC)cc3)no2)c(=O)c2ccccc21 ZINC000064963675 205203927 /nfs/dbraw/zinc/20/39/27/205203927.db2.gz KGBUVZHSOKDRRL-UHFFFAOYSA-N 0 0 377.469 4.850 50 0 GJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2)on1 ZINC000064979613 205205067 /nfs/dbraw/zinc/20/50/67/205205067.db2.gz PFDURBCXVFMVRG-UHFFFAOYSA-N 0 0 396.390 4.778 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2c1OC ZINC000065023015 205207093 /nfs/dbraw/zinc/20/70/93/205207093.db2.gz WHLHCFGZPGAREX-UHFFFAOYSA-N 0 0 384.457 4.957 50 0 GJAARN CC(C)c1ccc(-c2ccnc3c(C(=O)NCc4cccs4)cnn32)cc1 ZINC000065026667 205207517 /nfs/dbraw/zinc/20/75/17/205207517.db2.gz NOLWNSAWFLZSLC-UHFFFAOYSA-N 0 0 376.485 4.511 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c(C)c1 ZINC000065058727 205208368 /nfs/dbraw/zinc/20/83/68/205208368.db2.gz JAFNDGDFOVSUGL-XMMPIXPASA-N 0 0 393.531 4.562 50 0 GJAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000065058659 205208594 /nfs/dbraw/zinc/20/85/94/205208594.db2.gz SISKSQXJAWXKBI-QFIPXVFZSA-N 0 0 399.922 4.599 50 0 GJAARN COc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000065061045 205208815 /nfs/dbraw/zinc/20/88/15/205208815.db2.gz SMKTWBSVFDDLLD-UHFFFAOYSA-N 0 0 389.430 4.720 50 0 GJAARN CSc1cccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)c1 ZINC000065084754 205209507 /nfs/dbraw/zinc/20/95/07/205209507.db2.gz PWIUXQUWRCOLBC-UHFFFAOYSA-N 0 0 378.497 4.697 50 0 GJAARN CSc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1 ZINC000065085039 205210075 /nfs/dbraw/zinc/21/00/75/205210075.db2.gz PEHROMWWCWGDPC-UHFFFAOYSA-N 0 0 389.523 4.555 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cc(F)ccc2F)n1 ZINC000065114657 205210726 /nfs/dbraw/zinc/21/07/26/205210726.db2.gz KSUKZNNDPXZUHK-UHFFFAOYSA-N 0 0 396.441 4.832 50 0 GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)c(Cl)cc1OC ZINC000065114199 205210865 /nfs/dbraw/zinc/21/08/65/205210865.db2.gz VOSORQOMTFQHJY-UHFFFAOYSA-N 0 0 385.851 4.829 50 0 GJAARN COc1ccc2oc(-c3noc(/C=C/c4ccc(OC)c(OC)c4)n3)c(C)c2c1 ZINC000065097257 205210917 /nfs/dbraw/zinc/21/09/17/205210917.db2.gz QTTQCXUNTINGKI-UXBLZVDNSA-N 0 0 392.411 4.987 50 0 biogenic GJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1cccc(Cl)c1 ZINC000065136856 205212670 /nfs/dbraw/zinc/21/26/70/205212670.db2.gz SEZGEWXKKGWSJD-KRWDZBQOSA-N 0 0 399.922 4.681 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000065136921 205213091 /nfs/dbraw/zinc/21/30/91/205213091.db2.gz GOAQPHIKWWXDIR-QGZVFWFLSA-N 0 0 391.943 4.767 50 0 GJAARN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccsc4)C3)n2)cc1 ZINC000065148085 205213109 /nfs/dbraw/zinc/21/31/09/205213109.db2.gz CANFVSBNZBQFKI-INIZCTEOSA-N 0 0 378.501 4.610 50 0 GJAARN Cc1ccccc1Nc1nccc([C@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000065148176 205213368 /nfs/dbraw/zinc/21/33/68/205213368.db2.gz DLKYLYLABGIYPI-INIZCTEOSA-N 0 0 378.501 4.610 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4)n3)C2)s1 ZINC000065147842 205213565 /nfs/dbraw/zinc/21/35/65/205213565.db2.gz KIOQSZUOIBBTRZ-MRXNPFEDSA-N 0 0 378.501 4.610 50 0 GJAARN O=C(C1CCCCC1)N1CCC[C@@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148236 205213592 /nfs/dbraw/zinc/21/35/92/205213592.db2.gz HGPXHSJVSBKQJL-QGZVFWFLSA-N 0 0 382.483 4.646 50 0 GJAARN COc1ccc(OCc2ccc(C(=O)Nc3cccc4c3CCCC4)o2)cc1 ZINC000064658722 205192069 /nfs/dbraw/zinc/19/20/69/205192069.db2.gz ALDXWOYVYYCWIF-UHFFFAOYSA-N 0 0 377.440 4.998 50 0 GJAARN O=C(C1CCCCC1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064659541 205192383 /nfs/dbraw/zinc/19/23/83/205192383.db2.gz ZYMNAQYHDWIWES-UHFFFAOYSA-N 0 0 383.923 4.954 50 0 biogenic GJAARN Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4C)no3)CC2)c(C)c1 ZINC000064818360 205196351 /nfs/dbraw/zinc/19/63/51/205196351.db2.gz HSNVNMPLIOEZHS-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN CCc1cccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)c1 ZINC000064847227 205197987 /nfs/dbraw/zinc/19/79/87/205197987.db2.gz SFQXZZJZGDEQEV-UHFFFAOYSA-N 0 0 393.531 4.508 50 0 GJAARN Cc1sc(C)c(S(=O)(=O)Nc2ccc(F)cc2Cl)c1-c1ccno1 ZINC000064845216 205198025 /nfs/dbraw/zinc/19/80/25/205198025.db2.gz ULBMEHXYOTXUOR-UHFFFAOYSA-N 0 0 386.857 4.613 50 0 GJAARN CCc1noc(-c2cnc3nc(C)ccc3c2N[C@@H](C)c2ccc(F)cc2)n1 ZINC000065250631 205223914 /nfs/dbraw/zinc/22/39/14/205223914.db2.gz UURFQSZETAGGKQ-ZDUSSCGKSA-N 0 0 377.423 4.863 50 0 GJAARN CC(C)Cn1c2ncccc2nc1-c1cccc(C(=O)N[C@@H](C)c2ccccn2)c1 ZINC000065307171 205229650 /nfs/dbraw/zinc/22/96/50/205229650.db2.gz OXCWSVMSAMTPBD-KRWDZBQOSA-N 0 0 399.498 4.640 50 0 GJAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1 ZINC000067295460 205245391 /nfs/dbraw/zinc/24/53/91/205245391.db2.gz NLLJYDBFZGSCOK-FLFQWRMESA-N 0 0 378.815 4.842 50 0 GJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3C)no2)cc1 ZINC000065320607 205231285 /nfs/dbraw/zinc/23/12/85/205231285.db2.gz QKMGYYONJFMALD-LJQANCHMSA-N 0 0 392.459 4.813 50 0 GJAARN O[C@H](Cn1cnc(-c2ccccc2)c1/C=C/c1ccc(F)cc1)c1cccnc1 ZINC000065371424 205231807 /nfs/dbraw/zinc/23/18/07/205231807.db2.gz TZCMMPHFGDIUEI-UQNNOOFXSA-N 0 0 385.442 4.988 50 0 GJAARN COc1cc(-c2c(-c3ccccc3)ncn2CCCn2ccc(C)n2)ccc1O ZINC000065434332 205234897 /nfs/dbraw/zinc/23/48/97/205234897.db2.gz SWWYCNIBDZTUFL-UHFFFAOYSA-N 0 0 388.471 4.527 50 0 GJAARN COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067296459 205245546 /nfs/dbraw/zinc/24/55/46/205245546.db2.gz QSLAHHQIMAXKPU-BZZOAKBMSA-N 0 0 385.423 4.630 50 0 GJAARN Cc1c(NCc2c(F)cccc2Cl)cccc1C(=O)N1CCSCC1 ZINC000065565807 205237761 /nfs/dbraw/zinc/23/77/61/205237761.db2.gz HGLBHMQEBPPQHJ-UHFFFAOYSA-N 0 0 378.900 4.589 50 0 GJAARN CSc1cccc(NC(=O)[C@@H](C)n2c(=S)[nH]nc2-c2cccs2)c1 ZINC000065564190 205238415 /nfs/dbraw/zinc/23/84/15/205238415.db2.gz YGPPABAWZTXSFD-SNVBAGLBSA-N 0 0 376.532 4.591 50 0 GJAARN CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N21 ZINC000067192549 205241551 /nfs/dbraw/zinc/24/15/51/205241551.db2.gz XIZOBAVCUZQZDL-QGZVFWFLSA-N 0 0 395.915 4.615 50 0 GJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)cc2C)nc1 ZINC000067294253 205245697 /nfs/dbraw/zinc/24/56/97/205245697.db2.gz FJAITOMZFNODLO-LCUIJRPUSA-N 0 0 399.450 4.943 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c1 ZINC000067257387 205242590 /nfs/dbraw/zinc/24/25/90/205242590.db2.gz PVRFGTMBLIRFJC-UHFFFAOYSA-N 0 0 381.476 4.939 50 0 GJAARN Brc1ccc(-c2csc(Cc3nc(-c4cccnc4)no3)n2)cc1 ZINC000067246079 205242620 /nfs/dbraw/zinc/24/26/20/205242620.db2.gz CBVMORZDWFQWKV-UHFFFAOYSA-N 0 0 399.273 4.608 50 0 GJAARN O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccco1 ZINC000067259614 205244018 /nfs/dbraw/zinc/24/40/18/205244018.db2.gz ULSJHKCRFMNDGE-UHFFFAOYSA-N 0 0 384.407 4.608 50 0 GJAARN O=c1c2sccc2nc(SCc2ccccc2)n1Cc1ccccc1F ZINC000067259881 205244694 /nfs/dbraw/zinc/24/46/94/205244694.db2.gz VACVVSZZUSAGQF-UHFFFAOYSA-N 0 0 382.485 4.938 50 0 GJAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccccc1Cl ZINC000067296311 205245097 /nfs/dbraw/zinc/24/50/97/205245097.db2.gz NFAYZITZMJIIIK-FLFQWRMESA-N 0 0 375.815 4.966 50 0 GJAARN CSc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)cc1 ZINC000067673841 205254861 /nfs/dbraw/zinc/25/48/61/205254861.db2.gz ZIHVQAKMMOHMLU-IBGZPJMESA-N 0 0 396.556 4.938 50 0 GJAARN Cc1occc1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067692381 205257527 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Cc1ccc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)nn1 ZINC000067946595 205268427 /nfs/dbraw/zinc/26/84/27/205268427.db2.gz RESLHDOJEYGVRF-UHFFFAOYSA-N 0 0 382.467 4.516 50 0 GJAARN CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067297829 205246079 /nfs/dbraw/zinc/24/60/79/205246079.db2.gz NKOMDJSOWVPCLM-LCUIJRPUSA-N 0 0 399.450 4.889 50 0 GJAARN Cc1c(C(=O)Nc2cccc3c2ccn3CCC(C)C)sc2[nH]cnc(=O)c12 ZINC000071288269 205281238 /nfs/dbraw/zinc/28/12/38/205281238.db2.gz UJYRAIUSJHWAOK-UHFFFAOYSA-N 0 0 394.500 4.546 50 0 GJAARN COc1ccc2cc([C@@H]3CN(Cc4cc(F)ccc4OC)CCO3)ccc2c1 ZINC000071405566 205282975 /nfs/dbraw/zinc/28/29/75/205282975.db2.gz FKGZIVJRIBCNLK-QHCPKHFHSA-N 0 0 381.447 4.570 50 0 GJAARN COCc1nn2c(nccc2-c2ccccc2OC)c1-c1cccc(Cl)c1 ZINC000072117799 205304566 /nfs/dbraw/zinc/30/45/66/205304566.db2.gz UWBIGAPLDCTMEZ-UHFFFAOYSA-N 0 0 379.847 4.872 50 0 GJAARN CCc1oncc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071764666 205295905 /nfs/dbraw/zinc/29/59/05/205295905.db2.gz 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205350345 /nfs/dbraw/zinc/35/03/45/205350345.db2.gz AZNIBCFSAYYVGC-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN CC[C@H]1COCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000072431246 205350884 /nfs/dbraw/zinc/35/08/84/205350884.db2.gz CYAAZAUMEPGABX-NRFANRHFSA-N 0 0 379.479 4.598 50 0 GJAARN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](Cc4ccc(F)cc4)C3)cc2)n1 ZINC000077472563 205363943 /nfs/dbraw/zinc/36/39/43/205363943.db2.gz FVHLKJGHWXCTDC-FQEVSTJZSA-N 0 0 391.490 4.723 50 0 GJAARN O=C1N=C(Nc2ccc(F)cc2)/C(=C/c2c(Cl)nc3sccn23)S1 ZINC000072401452 205344256 /nfs/dbraw/zinc/34/42/56/205344256.db2.gz WHQQLKJVCNWTHN-XFFZJAGNSA-N 0 0 378.841 4.907 50 0 GJAARN CC[C@@]1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000078947310 205377130 /nfs/dbraw/zinc/37/71/30/205377130.db2.gz JAXSPNSSADIXMA-CPJSRVTESA-N 0 0 392.543 4.731 50 0 GJAARN Cc1nc(CNC(=O)[C@H](C)Oc2cccc(F)c2)oc1-c1ccc(Cl)cc1 ZINC000079074014 205380293 /nfs/dbraw/zinc/38/02/93/205380293.db2.gz PWDPJXJHQUUYMY-ZDUSSCGKSA-N 0 0 388.826 4.526 50 0 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C[C@H](NC(=O)/C=C\c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000096129923 205525704 /nfs/dbraw/zinc/52/57/04/205525704.db2.gz GWVPTHDAQLEMFV-XCHKQJEOSA-N 0 0 385.389 4.782 50 0 GJAARN O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc2ccccc2oc1=O ZINC000022769088 211779353 /nfs/dbraw/zinc/77/93/53/211779353.db2.gz CQPBDTCOAZFNID-UHFFFAOYSA-N 0 0 387.347 4.551 50 0 GJAARN O=C(Nc1ccc(-c2ccccn2)cn1)c1csc(Cc2ccc(F)cc2)n1 ZINC000095977621 205513957 /nfs/dbraw/zinc/51/39/57/205513957.db2.gz NSDRCXUZMXNVTP-UHFFFAOYSA-N 0 0 390.443 4.582 50 0 GJAARN COc1cccc(-c2nsc(NC(=O)N3CCC(c4ccccc4)CC3)n2)c1 ZINC000095996451 205514109 /nfs/dbraw/zinc/51/41/09/205514109.db2.gz BWVGWKIPNDJBRD-UHFFFAOYSA-N 0 0 394.500 4.625 50 0 GJAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000022131690 211757580 /nfs/dbraw/zinc/75/75/80/211757580.db2.gz ASQHTQYXINGXFD-GOSISDBHSA-N 0 0 384.545 4.529 50 0 GJAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000044086956 205661688 /nfs/dbraw/zinc/66/16/88/205661688.db2.gz 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205966241 /nfs/dbraw/zinc/96/62/41/205966241.db2.gz XJGKIJQMBNMZTJ-UHFFFAOYSA-N 0 0 384.785 4.749 50 0 GJAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21 ZINC000027822964 206018350 /nfs/dbraw/zinc/01/83/50/206018350.db2.gz DFELWPQAJNOLPR-UHFFFAOYSA-N 0 0 392.908 4.804 50 0 GJAARN CCc1cnc(CNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 ZINC000225391005 206045998 /nfs/dbraw/zinc/04/59/98/206045998.db2.gz CZDRWFKXKJAPQE-UHFFFAOYSA-N 0 0 386.536 4.787 50 0 GJAARN COC[C@H](C)Nc1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000225496140 206052977 /nfs/dbraw/zinc/05/29/77/206052977.db2.gz QVYADPRRXRJNHA-INIZCTEOSA-N 0 0 377.444 4.573 50 0 GJAARN O=C(Nc1cccc(CN2CCCC2=O)c1)C1c2ccccc2Oc2ccccc21 ZINC000030128679 206070313 /nfs/dbraw/zinc/07/03/13/206070313.db2.gz ZLLUNBPFRARYEI-UHFFFAOYSA-N 0 0 398.462 4.685 50 0 GJAARN O=C(Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1)c1ccno1 ZINC000208007076 211701762 /nfs/dbraw/zinc/70/17/62/211701762.db2.gz GRWGXYJFJLTVOU-UHFFFAOYSA-N 0 0 380.404 4.933 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccnc(-c2ccco2)c1 ZINC000225655403 206063998 /nfs/dbraw/zinc/06/39/98/206063998.db2.gz IWECTRIRTWLUJY-UHFFFAOYSA-N 0 0 393.830 4.888 50 0 GJAARN COc1cc(NC(=O)/C=C\c2ccc(Br)cc2)c(OC)cc1Cl ZINC000033332818 206098438 /nfs/dbraw/zinc/09/84/38/206098438.db2.gz RKZQBFHUOQLGNY-YVMONPNESA-N 0 0 396.668 4.772 50 0 GJAARN CC1=CC(C)(C)N(C)c2ccc(C(=S)N3CCN(c4ccccc4)CC3)cc21 ZINC000226854914 206099796 /nfs/dbraw/zinc/09/97/96/206099796.db2.gz HSCHMSDMUDQGJD-UHFFFAOYSA-N 0 0 391.584 4.816 50 0 GJAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1 ZINC000058438981 206101570 /nfs/dbraw/zinc/10/15/70/206101570.db2.gz ULCYXSYAEGWPEO-QZTJIDSGSA-N 0 0 391.487 4.612 50 0 GJAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000229750284 206108357 /nfs/dbraw/zinc/10/83/57/206108357.db2.gz MTLCJTGEUVTNQR-BFUOFWGJSA-N 0 0 390.405 4.719 50 0 GJAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(Cl)ccc1Cl ZINC000032912099 206096001 /nfs/dbraw/zinc/09/60/01/206096001.db2.gz LIZIWJJRSLRMFH-UHFFFAOYSA-N 0 0 388.298 4.850 50 0 GJAARN Fc1cccc(Cl)c1CN1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096024372 206114847 /nfs/dbraw/zinc/11/48/47/206114847.db2.gz IDIYEGVMGALRFB-UHFFFAOYSA-N 0 0 377.872 4.970 50 0 GJAARN COc1ccc2[nH]cc(CC(=O)N(CCC(F)(F)F)Cc3ccccc3)c2c1 ZINC000252511076 206141202 /nfs/dbraw/zinc/14/12/02/206141202.db2.gz ZTFKMUXDDMWSLS-UHFFFAOYSA-N 0 0 390.405 4.700 50 0 GJAARN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000252503738 206142594 /nfs/dbraw/zinc/14/25/94/206142594.db2.gz VGJPZZQYGJLBKV-OAHLLOKOSA-N 0 0 396.434 4.803 50 0 GJAARN COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]21C ZINC000257348583 206183683 /nfs/dbraw/zinc/18/36/83/206183683.db2.gz HDLRFHJYLSKLMU-BASDZHIWSA-N 0 0 376.537 4.545 50 0 GJAARN Cc1cc([C@@H]2CCCCN2C(=O)Nc2ccc(OCc3ccco3)cc2)no1 ZINC000299756080 206184911 /nfs/dbraw/zinc/18/49/11/206184911.db2.gz CNBBPXJJLZHPDX-FQEVSTJZSA-N 0 0 381.432 4.914 50 0 GJAARN COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004795832 206185382 /nfs/dbraw/zinc/18/53/82/206185382.db2.gz YJEMSHUDCXABGH-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN COc1ccc(-c2cc3c(c(OC)c2)OCCN(C/C=C/c2ccco2)C3)cc1 ZINC000299774240 206187935 /nfs/dbraw/zinc/18/79/35/206187935.db2.gz CIDPIDQNDAUNMM-HWKANZROSA-N 0 0 391.467 4.872 50 0 GJAARN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC(OC2CCCC2)CC1 ZINC000121119917 206195236 /nfs/dbraw/zinc/19/52/36/206195236.db2.gz YYTULPJWTSPOSI-QHCPKHFHSA-N 0 0 378.516 4.790 50 0 GJAARN C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000299802263 206193013 /nfs/dbraw/zinc/19/30/13/206193013.db2.gz YKTULAQRHMEQCJ-MRXNPFEDSA-N 0 0 385.533 4.989 50 0 GJAARN Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(Br)cc2)c(C)c1 ZINC000096137036 206223065 /nfs/dbraw/zinc/22/30/65/206223065.db2.gz ANENCHDUNUUFQK-CMDGGOBGSA-N 0 0 380.307 4.787 50 0 GJAARN CCOCc1ccc2oc(-c3ccc(N4CCCCC4)cc3)c(O)c(=O)c2c1 ZINC000103783657 206221528 /nfs/dbraw/zinc/22/15/28/206221528.db2.gz YILOERJBBWIMTI-UHFFFAOYSA-N 0 0 379.456 4.692 50 0 GJAARN Cc1ccc(COc2c(Br)cc(Br)cc2C=O)cc1 ZINC000004739240 211621162 /nfs/dbraw/zinc/62/11/62/211621162.db2.gz WWZBMCMHDGKRMP-UHFFFAOYSA-N 0 0 384.067 4.912 50 0 GJAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(Br)cc3)sc2n1 ZINC000001212906 211609792 /nfs/dbraw/zinc/60/97/92/211609792.db2.gz JPHYEJQBBJSULK-UHFFFAOYSA-N 0 0 376.279 4.510 50 0 GJAARN Cc1oc2c(cc3c(C)c(CCC(=O)Nc4nccs4)c(=O)oc3c2C)c1C ZINC000008879263 211600499 /nfs/dbraw/zinc/60/04/99/211600499.db2.gz CDKRGMOPQJDVFA-UHFFFAOYSA-N 0 0 396.468 4.801 50 0 biogenic GJAARN Cc1nnc(SCc2nc(-c3ccccc3Cl)no2)n1Cc1ccccc1 ZINC000008133090 211590702 /nfs/dbraw/zinc/59/07/02/211590702.db2.gz MZRLRAXILHEPAG-UHFFFAOYSA-N 0 0 397.891 4.631 50 0 GJAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](C)Oc3cccc(C)c3)n2)c1 ZINC000007757644 211590714 /nfs/dbraw/zinc/59/07/14/211590714.db2.gz UCXUDZPUNOYYFZ-CQSZACIVSA-N 0 0 398.484 4.542 50 0 GJAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000006559789 211577100 /nfs/dbraw/zinc/57/71/00/211577100.db2.gz OGGMYHLAKQNZSL-KBPBESRZSA-N 0 0 396.541 4.740 50 0 GJAARN CCN(CC)P(=NC(=S)N1CCCCC1)(c1ccccc1)N(CC)CC ZINC000005259394 211563202 /nfs/dbraw/zinc/56/32/02/211563202.db2.gz QMFCQZURFJSNPQ-UHFFFAOYSA-N 0 0 394.569 4.798 50 0 GJAARN O=C(CCc1ccccc1)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000005215740 211563034 /nfs/dbraw/zinc/56/30/34/211563034.db2.gz DPFLZBYXZWVWFX-OEMFJLHTSA-N 0 0 381.491 4.653 50 0 GJAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3N)cs2)cc1 ZINC000004986460 211557497 /nfs/dbraw/zinc/55/74/97/211557497.db2.gz KPFOGTOELKHOEH-UHFFFAOYSA-N 0 0 397.504 4.522 50 0 GJAARN COCCN(CCOC)P1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003212491 211520603 /nfs/dbraw/zinc/52/06/03/211520603.db2.gz OIBJDWDKPGHHTJ-UHFFFAOYSA-N 0 0 399.427 4.887 50 0 GJAARN Cc1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C ZINC000003239147 211519931 /nfs/dbraw/zinc/51/99/31/211519931.db2.gz MWHVYCQQZKBFIR-ZDUSSCGKSA-N 0 0 396.270 4.559 50 0 GJAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC[C@@H]1CCCO1 ZINC000002759131 211518898 /nfs/dbraw/zinc/51/88/98/211518898.db2.gz MSNVDZLJEAPNNR-KRWDZBQOSA-N 0 0 380.875 4.772 50 0 GJAARN CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1C ZINC000002721582 211516696 /nfs/dbraw/zinc/51/66/96/211516696.db2.gz VVEJYYDEKIJFEB-HSZRJFAPSA-N 0 0 383.495 4.813 50 0 GJAARN Cc1cccc2sc(OC3CCN(C(=O)c4cccc(Cl)c4)CC3)nc21 ZINC000049431591 211460144 /nfs/dbraw/zinc/46/01/44/211460144.db2.gz NNHOJDQDEJFETH-UHFFFAOYSA-N 0 0 386.904 4.942 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)[nH]c1C ZINC000048302484 211454455 /nfs/dbraw/zinc/45/44/55/211454455.db2.gz CWUIOBWGFYCOKF-NRFANRHFSA-N 0 0 391.471 4.504 50 0 GJAARN CC[C@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1 ZINC000102847403 211417529 /nfs/dbraw/zinc/41/75/29/211417529.db2.gz NPZJVNLMOZFMOS-SFHVURJKSA-N 0 0 377.488 4.539 50 0 GJAARN COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2)c1[C@H]1C(=O)Nc2ccccc21 ZINC000101648768 211402925 /nfs/dbraw/zinc/40/29/25/211402925.db2.gz KHTDEQDDEDYTDF-KRWDZBQOSA-N 0 0 380.831 4.514 50 0 GJAARN Fc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C2)cc1F ZINC000100716250 211390426 /nfs/dbraw/zinc/39/04/26/211390426.db2.gz HIRLMQGJSFKEIZ-MRXNPFEDSA-N 0 0 379.197 4.919 50 0 GJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c(Cl)c1 ZINC000098211271 211380433 /nfs/dbraw/zinc/38/04/33/211380433.db2.gz ZVOUHCNWKUEGKC-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1Cl ZINC000098211307 211379067 /nfs/dbraw/zinc/37/90/67/211379067.db2.gz UIIFRWVOVHFGKP-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3cccc(F)c3)s2)cc1 ZINC000097003011 211355311 /nfs/dbraw/zinc/35/53/11/211355311.db2.gz DILRCLDWYHIPGD-MHWRWJLKSA-N 0 0 387.867 4.653 50 0 GJAARN COc1cccc(/C=C\C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1OC(F)F ZINC000096931529 211353263 /nfs/dbraw/zinc/35/32/63/211353263.db2.gz ZGIGUDGJWAJHAA-CBUFDYBVSA-N 0 0 387.426 4.886 50 0 GJAARN CCOc1cc2c(cc1NC(=O)/C=C\c1cc(C)n(C3CC3)c1C)O[C@H](C)C2 ZINC000096926062 211352970 /nfs/dbraw/zinc/35/29/70/211352970.db2.gz PHNGAGMGRBJCMD-WUKHSURWSA-N 0 0 380.488 4.814 50 0 GJAARN O=C(/C=C\c1cccc(F)c1)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000096462322 211341416 /nfs/dbraw/zinc/34/14/16/211341416.db2.gz HLZJMEXSKSHIES-YPKPFQOOSA-N 0 0 375.399 4.688 50 0 GJAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)Cc2ccc(F)cc2)n[nH]1 ZINC000096400265 211341431 /nfs/dbraw/zinc/34/14/31/211341431.db2.gz YTZAXTHLNVDOHL-UHFFFAOYSA-N 0 0 376.435 4.680 50 0 GJAARN CC(C)(C)[C@H]1CC(c2cccc(Br)c2)=NN1C(=O)c1ccco1 ZINC000097105849 211358845 /nfs/dbraw/zinc/35/88/45/211358845.db2.gz JOBIFBCFGGNNQO-MRXNPFEDSA-N 0 0 375.266 4.707 50 0 GJAARN Cc1sc(NC(=O)c2cnn(C(C)C)c2C)nc1-c1c(F)cc(F)cc1F ZINC000097032836 211357709 /nfs/dbraw/zinc/35/77/09/211357709.db2.gz OFMJFKBQEABELC-UHFFFAOYSA-N 0 0 394.422 4.874 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccccc2-c2nc(C(C)C)no2)ccc1Cl ZINC000096346608 211335674 /nfs/dbraw/zinc/33/56/74/211335674.db2.gz HFZXKJLWKBSACI-UHFFFAOYSA-N 0 0 385.851 4.839 50 0 GJAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000096292995 211331579 /nfs/dbraw/zinc/33/15/79/211331579.db2.gz QAOMXTAKIXAQCE-UHFFFAOYSA-N 0 0 383.879 4.792 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)C1CCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000096277954 211330296 /nfs/dbraw/zinc/33/02/96/211330296.db2.gz CGMOJCOTOYDULF-ABAIWWIYSA-N 0 0 392.297 4.503 50 0 GJAARN CC(C)CN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl ZINC000096275851 211328770 /nfs/dbraw/zinc/32/87/70/211328770.db2.gz SDMOBCGFIZKZGF-UHFFFAOYSA-N 0 0 383.879 4.731 50 0 GJAARN Cc1nn(Cc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)oc2C)c(C)c1C ZINC000096397347 211339988 /nfs/dbraw/zinc/33/99/88/211339988.db2.gz VEXJMUKJNIQLJG-UHFFFAOYSA-N 0 0 392.503 4.949 50 0 GJAARN COCCn1ccc2ccc(C(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)cc21 ZINC000096230783 211321740 /nfs/dbraw/zinc/32/17/40/211321740.db2.gz UGNDAYKPQPHKLI-NRFANRHFSA-N 0 0 387.483 4.576 50 0 GJAARN Cc1nnc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3ccccn3)c2)s1 ZINC000096133700 211303704 /nfs/dbraw/zinc/30/37/04/211303704.db2.gz NJURGWLFDBRQIJ-GOSISDBHSA-N 0 0 379.489 4.668 50 0 GJAARN COc1ccc(C(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)cc1OC ZINC000096117005 211301788 /nfs/dbraw/zinc/30/17/88/211301788.db2.gz KWIDNVMRGUQRHA-MRXNPFEDSA-N 0 0 384.863 4.646 50 0 GJAARN Fc1c(F)c(F)c(NCc2cccc(COC3CCOCC3)c2)c(F)c1F ZINC000096011578 211295312 /nfs/dbraw/zinc/29/53/12/211295312.db2.gz AKLIFWJBDVRGDQ-UHFFFAOYSA-N 0 0 387.348 4.690 50 0 GJAARN O=C(COc1ccccc1-c1nccs1)Nc1ccc(OC(F)(F)F)cc1 ZINC000096011637 211294488 /nfs/dbraw/zinc/29/44/88/211294488.db2.gz ZEIFHWMUXJWTIN-UHFFFAOYSA-N 0 0 394.374 4.726 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN(C)Cc1cccnc1 ZINC000096003574 211293078 /nfs/dbraw/zinc/29/30/78/211293078.db2.gz UTOSAYYQJSJRIA-UHFFFAOYSA-N 0 0 375.303 4.574 50 0 GJAARN CCc1noc(-c2cccc(NC(=O)N3CCCC[C@H]3c3nccs3)c2)n1 ZINC000096136619 211305697 /nfs/dbraw/zinc/30/56/97/211305697.db2.gz OPHPEVPCLUAKMQ-HNNXBMFYSA-N 0 0 383.477 4.515 50 0 GJAARN CCN(CC)C(=O)c1ccc(C(=O)Nc2ncc(-c3ccccc3C)s2)cc1 ZINC000095963517 211288835 /nfs/dbraw/zinc/28/88/35/211288835.db2.gz ZCPDXBDUJKIKSK-UHFFFAOYSA-N 0 0 393.512 4.853 50 0 GJAARN Cn1ccnc1-c1sc(NC(=O)c2ccc(Cl)cn2)nc1-c1ccccc1 ZINC000095960424 211287757 /nfs/dbraw/zinc/28/77/57/211287757.db2.gz OSSZZDLKUZPBOK-UHFFFAOYSA-N 0 0 395.875 4.511 50 0 GJAARN CN(C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)C1CCCCCC1 ZINC000095958306 211287205 /nfs/dbraw/zinc/28/72/05/211287205.db2.gz IFOBLKDPNUJLEE-UHFFFAOYSA-N 0 0 377.492 4.507 50 0 GJAARN COc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C ZINC000095959844 211287244 /nfs/dbraw/zinc/28/72/44/211287244.db2.gz MYIBGNSGGLKZEB-UHFFFAOYSA-N 0 0 377.366 4.897 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SC/C=C/c2ccccc2)nc1 ZINC000095947334 211286136 /nfs/dbraw/zinc/28/61/36/211286136.db2.gz QFUSEBRMVKIEBP-JXMROGBWSA-N 0 0 385.492 4.895 50 0 GJAARN Cc1ccccc1-c1csc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000095955974 211285440 /nfs/dbraw/zinc/28/54/40/211285440.db2.gz LKZXGAYVPZBZOB-UHFFFAOYSA-N 0 0 391.496 4.744 50 0 GJAARN CCn1c2ccc(F)cc2nc1NCc1ccc(OCc2cccnc2)cc1 ZINC000095943693 211284228 /nfs/dbraw/zinc/28/42/28/211284228.db2.gz JXMDYEJSQJCYNR-UHFFFAOYSA-N 0 0 376.435 4.781 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1Cl ZINC000095938994 211284236 /nfs/dbraw/zinc/28/42/36/211284236.db2.gz DHEFOWIKROWGOU-OAHLLOKOSA-N 0 0 381.904 4.512 50 0 GJAARN COc1ccc(CNC2(c3nc(-c4ccsc4)no3)CCCCC2)cc1F ZINC000095450128 211241089 /nfs/dbraw/zinc/24/10/89/211241089.db2.gz SNPRVOUIEBQZDH-UHFFFAOYSA-N 0 0 387.480 4.895 50 0 GJAARN O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccc(F)c(F)c1F)SCC(=O)N2 ZINC000095472630 211247193 /nfs/dbraw/zinc/24/71/93/211247193.db2.gz YSCHHXWBMIBSET-INIZCTEOSA-N 0 0 397.422 4.523 50 0 GJAARN COc1cccc(C2=CCN(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)C2)c1 ZINC000095467116 211246080 /nfs/dbraw/zinc/24/60/80/211246080.db2.gz ZRXLPOYMTNVACY-UHFFFAOYSA-N 0 0 398.462 4.857 50 0 GJAARN O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000095469946 211245750 /nfs/dbraw/zinc/24/57/50/211245750.db2.gz XATXINRSRVVAGY-OLZOCXBDSA-N 0 0 389.402 4.966 50 0 GJAARN O=C(CN1CCC(Cl)=C(Cl)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000095466685 211245453 /nfs/dbraw/zinc/24/54/53/211245453.db2.gz FIUNRHFETXEJPI-UHFFFAOYSA-N 0 0 387.616 4.692 50 0 GJAARN CN(C(=O)CCCc1cc(Cl)sc1Cl)[C@@H](CCO)c1ccccc1 ZINC000095453487 211242650 /nfs/dbraw/zinc/24/26/50/211242650.db2.gz JDCVEHZPIVZQJH-HNNXBMFYSA-N 0 0 386.344 4.960 50 0 GJAARN Cc1cc(C(=O)N(CC(F)F)CC2CCC2)cc(C)c1OCc1cccnc1 ZINC000095445441 211241528 /nfs/dbraw/zinc/24/15/28/211241528.db2.gz IAHRXIXYWNEELR-UHFFFAOYSA-N 0 0 388.458 4.785 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000095364916 211226396 /nfs/dbraw/zinc/22/63/96/211226396.db2.gz ZVRYBETURWWDFL-MOPGFXCFSA-N 0 0 396.487 4.908 50 0 GJAARN O=C(c1ccsc1)N1CCCN([C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089885425 211185337 /nfs/dbraw/zinc/18/53/37/211185337.db2.gz SFCYXPJWXOEQHG-GOSISDBHSA-N 0 0 395.355 4.890 50 0 GJAARN Cc1nc(C(C)C)sc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000091468459 211192941 /nfs/dbraw/zinc/19/29/41/211192941.db2.gz JYKHCBFQBVOKMQ-UHFFFAOYSA-N 0 0 396.516 4.645 50 0 GJAARN Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4c(C)cccc4C)c(C)n3n2)cc1 ZINC000086069605 211179962 /nfs/dbraw/zinc/17/99/62/211179962.db2.gz FIFZDGZYSXHJLV-UHFFFAOYSA-N 0 0 399.498 4.515 50 0 GJAARN O=S(=O)(Nc1c(Cl)cc(Cl)cc1Br)c1ccccc1 ZINC000084846895 211176392 /nfs/dbraw/zinc/17/63/92/211176392.db2.gz UYPWKTWHHVRHIG-UHFFFAOYSA-N 0 0 381.078 4.557 50 0 GJAARN COC(=O)c1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000085412334 211176205 /nfs/dbraw/zinc/17/62/05/211176205.db2.gz GSNTXWRFGBKUIG-GOSISDBHSA-N 0 0 399.516 4.744 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)C12CCCCC2 ZINC000079491680 211157910 /nfs/dbraw/zinc/15/79/10/211157910.db2.gz XEMGXVUBMQTGHC-NRFANRHFSA-N 0 0 391.515 4.619 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1 ZINC000080340410 211157924 /nfs/dbraw/zinc/15/79/24/211157924.db2.gz OSEUUFUZTSJOOS-UHFFFAOYSA-N 0 0 392.846 4.725 50 0 GJAARN Cc1cc(NC(=O)c2csc(-c3cccs3)n2)n(Cc2ccccc2)n1 ZINC000084104890 211167374 /nfs/dbraw/zinc/16/73/74/211167374.db2.gz YMRVYAJNMLQVJE-UHFFFAOYSA-N 0 0 380.498 4.677 50 0 GJAARN Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)cc2)n1 ZINC000084104783 211167059 /nfs/dbraw/zinc/16/70/59/211167059.db2.gz VQLXSDWKDJNEMG-INIZCTEOSA-N 0 0 383.442 4.660 50 0 GJAARN CN(C)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 ZINC000078654492 211148552 /nfs/dbraw/zinc/14/85/52/211148552.db2.gz PDEIFFYSURANGA-DEOSSOPVSA-N 0 0 386.495 4.597 50 0 GJAARN CC(C)c1cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)nn1C(C)(C)C ZINC000079055321 211152466 /nfs/dbraw/zinc/15/24/66/211152466.db2.gz KXSZHSCDPLOYQL-UHFFFAOYSA-N 0 0 394.523 4.853 50 0 GJAARN CC(C)[C@@H](CNC(=O)CCc1cccc(OC2CCCC2)c1)c1cccnc1 ZINC000075107337 211126325 /nfs/dbraw/zinc/12/63/25/211126325.db2.gz BMHDKAIIGYXAGF-HSZRJFAPSA-N 0 0 380.532 4.892 50 0 GJAARN CC[C@@H]1COCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000072431245 211118565 /nfs/dbraw/zinc/11/85/65/211118565.db2.gz CYAAZAUMEPGABX-OAQYLSRUSA-N 0 0 379.479 4.598 50 0 GJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)c(C)c3)c2c1 ZINC000072331985 211091945 /nfs/dbraw/zinc/09/19/45/211091945.db2.gz MXDNNQYBEKQBOB-UHFFFAOYSA-N 0 0 376.485 4.767 50 0 GJAARN OCc1ccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)cc1 ZINC000072130601 211070810 /nfs/dbraw/zinc/07/08/10/211070810.db2.gz QBFPMPVAODSMMY-UHFFFAOYSA-N 0 0 377.831 4.535 50 0 GJAARN FC(F)(F)COc1ccc(CNc2ncnc3sc4c(c32)CCCC4)cn1 ZINC000071953816 211066627 /nfs/dbraw/zinc/06/66/27/211066627.db2.gz XWIRFEQZJBNGQG-UHFFFAOYSA-N 0 0 394.422 4.518 50 0 GJAARN COc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4C)=NN3C(C)=O)cc2c1 ZINC000071924185 211065045 /nfs/dbraw/zinc/06/50/45/211065045.db2.gz AFVOEJMVHLJYIQ-OAQYLSRUSA-N 0 0 393.874 4.903 50 0 GJAARN O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CCC[C@H](C(F)(F)F)C1 ZINC000071927882 211063838 /nfs/dbraw/zinc/06/38/38/211063838.db2.gz BSGYSKQYSSKSHK-ZDUSSCGKSA-N 0 0 382.451 4.832 50 0 GJAARN CC(C)c1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc(C(F)(F)F)n1 ZINC000071415836 211047544 /nfs/dbraw/zinc/04/75/44/211047544.db2.gz HJRFWSKUDREGTB-OAHLLOKOSA-N 0 0 385.817 4.850 50 0 GJAARN Clc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1Cl ZINC000071260589 211041795 /nfs/dbraw/zinc/04/17/95/211041795.db2.gz RIQVFONAAVEJCJ-UHFFFAOYSA-N 0 0 382.320 4.536 50 0 GJAARN O=C(CSc1ncnc2c(-c3cccc(F)c3)c[nH]c21)Nc1ccccc1F ZINC000071328162 211044921 /nfs/dbraw/zinc/04/49/21/211044921.db2.gz JTCNJZKHIACFQF-UHFFFAOYSA-N 0 0 396.422 4.634 50 0 GJAARN CC(C)c1cc(C(=O)Nc2nc(-c3ccccn3)cs2)n(-c2ccccc2)n1 ZINC000071286845 211043777 /nfs/dbraw/zinc/04/37/77/211043777.db2.gz GAILTYFRSAKXHP-UHFFFAOYSA-N 0 0 389.484 4.767 50 0 GJAARN CCOc1ccc(C(=O)N2CCC(CSc3ccc(OC)cc3)CC2)cc1 ZINC000090608249 211036855 /nfs/dbraw/zinc/03/68/55/211036855.db2.gz LZNPGONUSWNESQ-UHFFFAOYSA-N 0 0 385.529 4.738 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000090608084 211036687 /nfs/dbraw/zinc/03/66/87/211036687.db2.gz XDKCTLILLFSJJP-UHFFFAOYSA-N 0 0 390.618 4.999 50 0 GJAARN O[C@@H](Cn1cnc(-c2ccccc2)c1-c1cc2ccccc2[nH]1)c1cccnc1 ZINC000067955733 211031714 /nfs/dbraw/zinc/03/17/14/211031714.db2.gz ADTLESBHHOTPIC-QFIPXVFZSA-N 0 0 380.451 4.827 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000090593193 211036032 /nfs/dbraw/zinc/03/60/32/211036032.db2.gz JYVFFWVRMMVPGB-UHFFFAOYSA-N 0 0 398.875 4.685 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cc1noc2ccccc21 ZINC000090593138 211035607 /nfs/dbraw/zinc/03/56/07/211035607.db2.gz RVRQXIHEIRHQNE-UHFFFAOYSA-N 0 0 397.887 4.772 50 0 GJAARN O=C(COc1ccccc1F)NCc1cc(-c2cccs2)n(C2CCCC2)n1 ZINC000090607070 211035400 /nfs/dbraw/zinc/03/54/00/211035400.db2.gz FXCWIBGTGOGLSS-UHFFFAOYSA-N 0 0 399.491 4.561 50 0 GJAARN CSc1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cn1 ZINC000068014095 211033693 /nfs/dbraw/zinc/03/36/93/211033693.db2.gz OJTABBBFMJYLKO-UHFFFAOYSA-N 0 0 393.440 4.781 50 0 GJAARN O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000067817193 211022922 /nfs/dbraw/zinc/02/29/22/211022922.db2.gz SZFLLQIUXBUNNL-UHFFFAOYSA-N 0 0 388.345 4.528 50 0 GJAARN Cc1nc2cc(OCc3cc(C(=O)N(C)[C@@H](C)c4ccco4)no3)ccc2s1 ZINC000067678786 211017018 /nfs/dbraw/zinc/01/70/18/211017018.db2.gz RFONZJMWGTVMDK-LBPRGKRZSA-N 0 0 397.456 4.598 50 0 GJAARN COc1c(C)cccc1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067489601 211010400 /nfs/dbraw/zinc/01/04/00/211010400.db2.gz BNPUMEAJAXUOOR-QGZVFWFLSA-N 0 0 380.271 4.524 50 0 GJAARN Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292744 211006352 /nfs/dbraw/zinc/00/63/52/211006352.db2.gz AVIQKUKRNJXIPI-FGGSVNHKSA-N 0 0 396.874 4.536 50 0 GJAARN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1ccc(F)cc1F ZINC000067260767 211005378 /nfs/dbraw/zinc/00/53/78/211005378.db2.gz FZPMLCLRTUVUCU-UHFFFAOYSA-N 0 0 387.389 4.643 50 0 GJAARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc(-c2cccc(F)c2)n1 ZINC000067257345 211005144 /nfs/dbraw/zinc/00/51/44/211005144.db2.gz STNXYYSZHZSARQ-UHFFFAOYSA-N 0 0 387.867 4.975 50 0 GJAARN COc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1OC ZINC000067246088 211004749 /nfs/dbraw/zinc/00/47/49/211004749.db2.gz MICQBNRTPWPJJU-UHFFFAOYSA-N 0 0 385.470 4.530 50 0 GJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2C)c1 ZINC000067259222 211004903 /nfs/dbraw/zinc/00/49/03/211004903.db2.gz NHEAYPWQRJZPQV-UHFFFAOYSA-N 0 0 388.492 4.995 50 0 GJAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067190114 211004463 /nfs/dbraw/zinc/00/44/63/211004463.db2.gz WBERSXQMHLJLQX-BZZOAKBMSA-N 0 0 385.423 4.630 50 0 GJAARN COc1cc(CN2C(=O)S/C(=C/c3cccs3)C2=O)ccc1OC(F)F ZINC000065537239 210998261 /nfs/dbraw/zinc/99/82/61/210998261.db2.gz YYPXPRYMVOLXDF-RIYZIHGNSA-N 0 0 397.424 4.595 50 0 GJAARN Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2nc(C(C)C)cs2)cn1 ZINC000065493452 210997062 /nfs/dbraw/zinc/99/70/62/210997062.db2.gz RNFQASCOJJKAIC-UHFFFAOYSA-N 0 0 375.501 4.944 50 0 GJAARN CCc1nccc(-c2c(-c3ccccc3)ncn2CCCc2c(C)noc2C)n1 ZINC000065453103 210994306 /nfs/dbraw/zinc/99/43/06/210994306.db2.gz RSTCPUABXJKEKN-UHFFFAOYSA-N 0 0 387.487 4.807 50 0 GJAARN CO[C@H](Cn1cnc(-c2ccccc2)c1-c1ccc(CO)o1)c1cccs1 ZINC000065396295 210992389 /nfs/dbraw/zinc/99/23/89/210992389.db2.gz UMVDNWGNIAYMOG-GOSISDBHSA-N 0 0 380.469 4.752 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(Nc3ccccc3F)n2)C1 ZINC000065148527 210969427 /nfs/dbraw/zinc/96/94/27/210969427.db2.gz AYGDQDDMGBWOQH-INIZCTEOSA-N 0 0 394.425 4.518 50 0 GJAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2ccnc(Nc3ccccc3)n2)C1 ZINC000065147827 210968938 /nfs/dbraw/zinc/96/89/38/210968938.db2.gz SJEWFBOCLCHVDJ-QGZVFWFLSA-N 0 0 392.890 4.893 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3cc(F)ccc3F)cs2)c2cccnc21 ZINC000065241002 210978736 /nfs/dbraw/zinc/97/87/36/210978736.db2.gz HTBFWCWXZQDKPV-UHFFFAOYSA-N 0 0 398.438 4.639 50 0 GJAARN O=C(CCc1conc1-c1cccc(F)c1)NCc1ccc(F)cc1Cl ZINC000065213517 210975490 /nfs/dbraw/zinc/97/54/90/210975490.db2.gz CJRGEFQHRNRZQA-UHFFFAOYSA-N 0 0 376.790 4.522 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(-c4ccc(F)cc4)n3)C2)cc1F ZINC000065135644 210967379 /nfs/dbraw/zinc/96/73/79/210967379.db2.gz GZEQGIOWCAODIR-GOSISDBHSA-N 0 0 393.437 4.750 50 0 GJAARN Cc1ccccc1Oc1nccnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000065111132 210966986 /nfs/dbraw/zinc/96/69/86/210966986.db2.gz GJBPQSQGAAGWDI-UHFFFAOYSA-N 0 0 385.876 4.962 50 0 GJAARN COc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(C)c(C)c3)cn12 ZINC000065079716 210965341 /nfs/dbraw/zinc/96/53/41/210965341.db2.gz ABMYNXKFMNNUHN-UHFFFAOYSA-N 0 0 391.496 4.869 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000065085547 210965203 /nfs/dbraw/zinc/96/52/03/210965203.db2.gz OXLTZKPQICUXPK-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065084919 210964838 /nfs/dbraw/zinc/96/48/38/210964838.db2.gz PGNICLRQLGKUSY-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN O=C(NCCc1ccccc1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057897 210963001 /nfs/dbraw/zinc/96/30/01/210963001.db2.gz BCQXXCIKUYVZCK-UHFFFAOYSA-N 0 0 395.462 4.908 50 0 biogenic GJAARN Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1ccc(F)c(Cl)c1 ZINC000064664517 210944003 /nfs/dbraw/zinc/94/40/03/210944003.db2.gz XVASJIRCDPBYKE-UHFFFAOYSA-N 0 0 389.818 4.572 50 0 GJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccccc2C)c1 ZINC000064656968 210943271 /nfs/dbraw/zinc/94/32/71/210943271.db2.gz RJLKAHNCFJTCEG-QGZVFWFLSA-N 0 0 397.521 4.672 50 0 GJAARN Cc1ccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)s1 ZINC000064890523 210952467 /nfs/dbraw/zinc/95/24/67/210952467.db2.gz QVTKMMOXVWXIOG-UHFFFAOYSA-N 0 0 392.484 4.907 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)Cc3ccccc3)CC1)N2 ZINC000064858640 210950624 /nfs/dbraw/zinc/95/06/24/210950624.db2.gz NEDLQRXIJQWXIM-UHFFFAOYSA-N 0 0 385.511 4.580 50 0 biogenic GJAARN Cc1ccc(-c2nc(CCN(C)C(=O)Nc3cc(Cl)ccc3C)no2)cc1 ZINC000064839858 210949527 /nfs/dbraw/zinc/94/95/27/210949527.db2.gz DPPFSHLSQCMITK-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cccc(Cl)c1 ZINC000064840071 210949547 /nfs/dbraw/zinc/94/95/47/210949547.db2.gz AAPCPDUQSITRBD-UHFFFAOYSA-N 0 0 391.258 4.750 50 0 GJAARN COc1ccc(-c2ccnn2-c2ccc(SCc3ccccc3C)nn2)cc1 ZINC000064755452 210946256 /nfs/dbraw/zinc/94/62/56/210946256.db2.gz XAFYSNCCSZPCSM-UHFFFAOYSA-N 0 0 388.496 4.939 50 0 GJAARN Cc1ncc(CN(C)C(=O)Nc2ccccc2N2CCc3ccccc32)s1 ZINC000058282147 210914486 /nfs/dbraw/zinc/91/44/86/210914486.db2.gz YWDKIFIQRAGVHJ-UHFFFAOYSA-N 0 0 378.501 4.810 50 0 GJAARN Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1C ZINC000057486569 210898244 /nfs/dbraw/zinc/89/82/44/210898244.db2.gz DFGGWUMCXIHSSS-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1C ZINC000057486564 210898047 /nfs/dbraw/zinc/89/80/47/210898047.db2.gz LXXUJUFUYAZLFV-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN CSc1ccccc1NC(=O)CCC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000055414223 210888452 /nfs/dbraw/zinc/88/84/52/210888452.db2.gz FGXICIJSRKZGDH-JOCHJYFZSA-N 0 0 394.496 4.626 50 0 GJAARN CCOc1c(Cl)cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1OC ZINC000049765808 210865264 /nfs/dbraw/zinc/86/52/64/210865264.db2.gz FFNIHFKRVZWZRL-GOSISDBHSA-N 0 0 388.895 4.900 50 0 GJAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N([C@H](C)C3CC3)C3CC3)c12 ZINC000046056216 210833223 /nfs/dbraw/zinc/83/32/23/210833223.db2.gz OJFMEERBRBRAAU-CYBMUJFWSA-N 0 0 379.435 4.740 50 0 GJAARN CSc1ncc(Nc2nc(-c3ccc(Br)cc3)cs2)cn1 ZINC000040461127 210788586 /nfs/dbraw/zinc/78/85/86/210788586.db2.gz DLKTTWPJEBGEFM-UHFFFAOYSA-N 0 0 379.308 4.828 50 0 GJAARN COc1cc2c(cc1NC(=O)COCCOc1ccccc1)oc1ccccc12 ZINC000040128537 210776771 /nfs/dbraw/zinc/77/67/71/210776771.db2.gz XKLZGXXACQFDKX-UHFFFAOYSA-N 0 0 391.423 4.629 50 0 GJAARN COc1cc(-c2nnc(C3(c4ccccc4)CCOCC3)o2)ccc1OC(C)C ZINC000071889725 210744809 /nfs/dbraw/zinc/74/48/09/210744809.db2.gz QEYDTYHMGPVYRJ-UHFFFAOYSA-N 0 0 394.471 4.629 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)c1OC(C)C ZINC000036354369 210722134 /nfs/dbraw/zinc/72/21/34/210722134.db2.gz FPNUWEVQDOJLNG-KRWDZBQOSA-N 0 0 395.434 4.931 50 0 GJAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)c1OC ZINC000036366563 210724090 /nfs/dbraw/zinc/72/40/90/210724090.db2.gz YFELEBLMFKADKA-CYBMUJFWSA-N 0 0 383.835 4.667 50 0 GJAARN Cc1cccc(OCc2nc(CN(CC(C)C)C(=O)NC(C)C)cs2)c1C ZINC000036115189 210712045 /nfs/dbraw/zinc/71/20/45/210712045.db2.gz FMQPDOQBEPKDQI-UHFFFAOYSA-N 0 0 389.565 4.915 50 0 GJAARN Cc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)c1 ZINC000035845220 210698663 /nfs/dbraw/zinc/69/86/63/210698663.db2.gz IWUUHMQFVLPXPN-OAQYLSRUSA-N 0 0 383.451 4.759 50 0 GJAARN CC[C@H](C)NC(=O)Nc1c(N)n(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000035868127 210698745 /nfs/dbraw/zinc/69/87/45/210698745.db2.gz WZGPJCIDDFQSGE-ZDUSSCGKSA-N 0 0 383.883 4.695 50 0 GJAARN O=C(C=Cc1ccc2c(c1)OCO2)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000035681648 210696392 /nfs/dbraw/zinc/69/63/92/210696392.db2.gz RVTZLPAQGHLXRF-QPEQYQDCSA-N 0 0 386.403 4.522 50 0 GJAARN CCCC(=O)Nc1ccc(N(C)C)c(CN(CCC)C(=O)c2ccc(F)cc2)c1 ZINC000034921602 210673336 /nfs/dbraw/zinc/67/33/36/210673336.db2.gz ZVWXFMNAGYAGOF-UHFFFAOYSA-N 0 0 399.510 4.683 50 0 GJAARN COc1cccc(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)c1OC ZINC000033331401 210645126 /nfs/dbraw/zinc/64/51/26/210645126.db2.gz MWTBILZJSYGDHB-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN Cc1ccc(C(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)NCc2ccco2)cc1 ZINC000033287775 210638643 /nfs/dbraw/zinc/63/86/43/210638643.db2.gz MJCFGHHBFVGPOD-UHFFFAOYSA-N 0 0 387.439 4.560 50 0 GJAARN O=C(CSCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)c(Cl)c1 ZINC000033250332 210630900 /nfs/dbraw/zinc/63/09/00/210630900.db2.gz CEUBOFDAJAMHNX-UHFFFAOYSA-N 0 0 395.818 4.540 50 0 GJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000033317654 210641907 /nfs/dbraw/zinc/64/19/07/210641907.db2.gz WAJAQBCWCKINBD-QFIPXVFZSA-N 0 0 391.515 4.806 50 0 GJAARN CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000032915579 210603536 /nfs/dbraw/zinc/60/35/36/210603536.db2.gz NYWFMBQIPGDBOD-UHFFFAOYSA-N 0 0 394.397 4.687 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1OC(C)C ZINC000031820820 210567563 /nfs/dbraw/zinc/56/75/63/210567563.db2.gz AWBZGLDNKAHKMH-KRWDZBQOSA-N 0 0 377.444 4.792 50 0 GJAARN Cc1c(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000031383249 210563338 /nfs/dbraw/zinc/56/33/38/210563338.db2.gz FXRRKUHOHTVMEA-KRWDZBQOSA-N 0 0 386.495 4.793 50 0 GJAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)c4ccccc4)c(C)c3cc12 ZINC000030819236 210558213 /nfs/dbraw/zinc/55/82/13/210558213.db2.gz NOYKMUOHZGFCKC-INIZCTEOSA-N 0 0 389.451 4.966 50 0 GJAARN CCCOc1ccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)ns2)cc1 ZINC000027994087 210520643 /nfs/dbraw/zinc/52/06/43/210520643.db2.gz CSHXGTJQBDTDMR-UHFFFAOYSA-N 0 0 383.473 4.645 50 0 GJAARN CSc1ccccc1C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000038678440 210501837 /nfs/dbraw/zinc/50/18/37/210501837.db2.gz LCASMTDOYKEIQY-UHFFFAOYSA-N 0 0 396.537 4.581 50 0 GJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC ZINC000025726931 210485682 /nfs/dbraw/zinc/48/56/82/210485682.db2.gz JLJGPZLYQPXZTQ-UHFFFAOYSA-N 0 0 397.906 4.755 50 0 GJAARN O=C(/C=C/c1ccc2c(c1)OCO2)N(CCc1ccccc1)Cc1cccs1 ZINC000025669358 210484813 /nfs/dbraw/zinc/48/48/13/210484813.db2.gz VGIHWOBQHXISME-PKNBQFBNSA-N 0 0 391.492 4.762 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3cnc4ccccc4c3)cs2)cc1OC ZINC000025157237 210479081 /nfs/dbraw/zinc/47/90/81/210479081.db2.gz VTBDMZZZHKJAAZ-UHFFFAOYSA-N 0 0 391.452 4.628 50 0 GJAARN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C)cc1Br ZINC000024831868 210471557 /nfs/dbraw/zinc/47/15/57/210471557.db2.gz ZEXXGJHMDQOMJF-UHFFFAOYSA-N 0 0 394.338 4.954 50 0 GJAARN CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1nc(-c2ccc(C)cc2)ccc1=O ZINC000021783860 210393278 /nfs/dbraw/zinc/39/32/78/210393278.db2.gz RVSLYEQEQKFICT-IBGZPJMESA-N 0 0 399.853 4.601 50 0 GJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)cc1 ZINC000021788421 210393089 /nfs/dbraw/zinc/39/30/89/210393089.db2.gz NMBMLOIRNJWQBS-LJQANCHMSA-N 0 0 399.903 4.617 50 0 GJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c1 ZINC000021795399 210392449 /nfs/dbraw/zinc/39/24/49/210392449.db2.gz GIXRTTLKCUISGH-UHFFFAOYSA-N 0 0 390.491 4.855 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccccc1F)CC(=O)N2 ZINC000021661017 210390312 /nfs/dbraw/zinc/39/03/12/210390312.db2.gz WPUYTFBNQYROTI-AWEZNQCLSA-N 0 0 392.459 4.712 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-c3ncccc3NC(C)=O)cc2)cc1Cl ZINC000021708606 210389471 /nfs/dbraw/zinc/38/94/71/210389471.db2.gz JILPOKXMPNPKGY-UHFFFAOYSA-N 0 0 395.846 4.621 50 0 GJAARN CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2Sc2ccccc2C1=O ZINC000021653049 210388032 /nfs/dbraw/zinc/38/80/32/210388032.db2.gz OJTCEQDNEAVWKG-UHFFFAOYSA-N 0 0 378.428 4.819 50 0 GJAARN Cc1nn2c(ncc(C(=O)N[C@H](C)CCc3ccccc3)c2C)c1-c1ccccc1 ZINC000021537978 210385062 /nfs/dbraw/zinc/38/50/62/210385062.db2.gz SXKOBSIDIIVKLU-QGZVFWFLSA-N 0 0 398.510 4.764 50 0 GJAARN CCCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OCC)c(OC)c1 ZINC000021789291 210393911 /nfs/dbraw/zinc/39/39/11/210393911.db2.gz DMDMHOSEISFCQH-SFHVURJKSA-N 0 0 380.488 4.623 50 0 GJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1Cl ZINC000021108087 210378267 /nfs/dbraw/zinc/37/82/67/210378267.db2.gz CNIZGIRGFZNVLN-HXUWFJFHSA-N 0 0 395.846 4.523 50 0 GJAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC(C)C)cc1CC2 ZINC000021043277 210376229 /nfs/dbraw/zinc/37/62/29/210376229.db2.gz XZKVSLLAFWAZBZ-UHFFFAOYSA-N 0 0 379.529 4.784 50 0 GJAARN COc1ccc(Br)cc1CNC(=O)Cc1csc2ccccc12 ZINC000021522956 210384278 /nfs/dbraw/zinc/38/42/78/210384278.db2.gz OPDWRXXQRMZCMZ-UHFFFAOYSA-N 0 0 390.302 4.531 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000021177534 210380547 /nfs/dbraw/zinc/38/05/47/210380547.db2.gz UOMMPXSLUACSQO-ZDUSSCGKSA-N 0 0 394.887 4.918 50 0 GJAARN O=C(c1cnccn1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000020989234 210372150 /nfs/dbraw/zinc/37/21/50/210372150.db2.gz HLDIHMXHNUCCPM-UHFFFAOYSA-N 0 0 390.443 4.586 50 0 GJAARN COc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccccc1Cl ZINC000020892210 210366958 /nfs/dbraw/zinc/36/69/58/210366958.db2.gz OGJSOEOFLXBEBG-LJQANCHMSA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1cc(C)ccc1C)SCC(=O)N2 ZINC000020891862 210366832 /nfs/dbraw/zinc/36/68/32/210366832.db2.gz TTYXHCSELJJLTK-FQEVSTJZSA-N 0 0 381.476 4.711 50 0 GJAARN Cc1[nH]nc2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)SCC(=O)N2 ZINC000020898821 210366407 /nfs/dbraw/zinc/36/64/07/210366407.db2.gz PXDXJUQCGOWTGK-LJQANCHMSA-N 0 0 399.903 4.725 50 0 GJAARN CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)cc1F ZINC000020900299 210366453 /nfs/dbraw/zinc/36/64/53/210366453.db2.gz LIBVOASFQOQNDW-OAHLLOKOSA-N 0 0 380.261 4.697 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000020891980 210366465 /nfs/dbraw/zinc/36/64/65/210366465.db2.gz NNVQDPRUVUKKQI-LJQANCHMSA-N 0 0 385.439 4.542 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000020892126 210365988 /nfs/dbraw/zinc/36/59/88/210365988.db2.gz OIAVHDFHBCJKSO-SFHVURJKSA-N 0 0 387.867 4.748 50 0 GJAARN O=C(c1ccc2nc(C(F)(F)F)sc2c1)N1CCO[C@H](c2ccccc2)C1 ZINC000020745065 210359054 /nfs/dbraw/zinc/35/90/54/210359054.db2.gz QPTNFHGLIIYXFD-HNNXBMFYSA-N 0 0 392.402 4.529 50 0 GJAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@H](C)c3ccn(C)n3)cc12 ZINC000020615988 210353843 /nfs/dbraw/zinc/35/38/43/210353843.db2.gz HKEILRISVUOKME-QGZVFWFLSA-N 0 0 386.499 4.531 50 0 GJAARN Cn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615434 210353160 /nfs/dbraw/zinc/35/31/60/210353160.db2.gz NWFRSRCMCVAGHK-UHFFFAOYSA-N 0 0 388.226 4.902 50 0 GJAARN CCn1ncc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)c1C ZINC000020605329 210351888 /nfs/dbraw/zinc/35/18/88/210351888.db2.gz MGHPJRNMBSSGAE-UHFFFAOYSA-N 0 0 389.356 4.770 50 0 GJAARN CCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccc3occc3c2)s1 ZINC000020572441 210348138 /nfs/dbraw/zinc/34/81/38/210348138.db2.gz ROBBHUOWEOQFDY-INIZCTEOSA-N 0 0 382.485 4.611 50 0 GJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)cc2Cl)cc1 ZINC000020532708 210342935 /nfs/dbraw/zinc/34/29/35/210342935.db2.gz DINBJIUZHNIGMP-FQEVSTJZSA-N 0 0 379.847 4.823 50 0 GJAARN C[C@@H](NC(=O)CCCn1sc2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000020467431 210340006 /nfs/dbraw/zinc/34/00/06/210340006.db2.gz BGFZQCLPEXYZKA-LRYXAPPNSA-N 0 0 398.572 4.564 50 0 GJAARN Cc1ccc(CCNC(=O)[C@H](C)n2nc(-c3ccccc3)c3ccccc32)cc1 ZINC000020355677 210329545 /nfs/dbraw/zinc/32/95/45/210329545.db2.gz YJEPZOLIUYZSKT-IBGZPJMESA-N 0 0 383.495 4.932 50 0 GJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(F)c(Cl)c2)c1 ZINC000020319711 210327042 /nfs/dbraw/zinc/32/70/42/210327042.db2.gz JVIGHUYAZIRBAE-IBGZPJMESA-N 0 0 383.810 4.654 50 0 GJAARN c1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3nsnc3c2)nc1 ZINC000020271398 210326687 /nfs/dbraw/zinc/32/66/87/210326687.db2.gz CKSKSYYLSAFZEQ-QHCPKHFHSA-N 0 0 397.507 4.715 50 0 GJAARN Cc1ccnc(NC(=O)c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)c1 ZINC000020426660 210332985 /nfs/dbraw/zinc/33/29/85/210332985.db2.gz URGVAYHXZIKVGA-AWEZNQCLSA-N 0 0 378.272 4.514 50 0 GJAARN CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(F)cc1)C3 ZINC000020412318 210331025 /nfs/dbraw/zinc/33/10/25/210331025.db2.gz RFJBFSDBQAVPEB-UHFFFAOYSA-N 0 0 381.447 4.506 50 0 GJAARN O=C(NCCc1csc(-c2ccccn2)n1)C(c1ccccc1)c1ccccc1 ZINC000019942279 210311116 /nfs/dbraw/zinc/31/11/16/210311116.db2.gz PLVYASGRBCVBTR-UHFFFAOYSA-N 0 0 399.519 4.696 50 0 GJAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1 ZINC000019894326 210307414 /nfs/dbraw/zinc/30/74/14/210307414.db2.gz JZSZFKUOWUXHHH-UHFFFAOYSA-N 0 0 389.282 4.625 50 0 GJAARN Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)cnn2-c2ccccc2)cc1 ZINC000019908486 210307056 /nfs/dbraw/zinc/30/70/56/210307056.db2.gz UUCICQOSNLOYHS-UHFFFAOYSA-N 0 0 396.450 4.685 50 0 GJAARN Cc1noc2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3)c(=N)c12 ZINC000019897655 210305838 /nfs/dbraw/zinc/30/58/38/210305838.db2.gz UJTDXVQDJUVADY-UHFFFAOYSA-N 0 0 382.876 4.747 50 0 GJAARN CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000019879479 210304844 /nfs/dbraw/zinc/30/48/44/210304844.db2.gz UMYIKNMTSDABDC-XLNRJJMWSA-N 0 0 376.500 4.593 50 0 GJAARN C[C@H](c1nccs1)N(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000019782211 210294606 /nfs/dbraw/zinc/29/46/06/210294606.db2.gz XBGCFQHRKOFUHB-MRXNPFEDSA-N 0 0 390.512 4.899 50 0 GJAARN CC(C)Cc1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1CCCC2 ZINC000001301673 220486070 /nfs/dbraw/zinc/48/60/70/220486070.db2.gz CAHSMISNWQGXDN-AWEZNQCLSA-N 0 0 396.560 4.908 50 0 GJAARN Cc1ccccc1OCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000002989360 220592917 /nfs/dbraw/zinc/59/29/17/220592917.db2.gz HBAQETUCMPWEDY-UHFFFAOYSA-N 0 0 384.328 4.730 50 0 GJAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3F)s2)cc1 ZINC000005142187 220834599 /nfs/dbraw/zinc/83/45/99/220834599.db2.gz NFEBIHFGFRPJBI-UHFFFAOYSA-N 0 0 393.443 4.686 50 0 GJAARN Cc1cc(NC(=O)CSc2ccccc2)cc(-c2nc3ncccc3o2)c1O ZINC000007505072 221000046 /nfs/dbraw/zinc/00/00/46/221000046.db2.gz AALFDUAIOLVUII-UHFFFAOYSA-N 0 0 391.452 4.635 50 0 GJAARN 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4.789 50 0 GJAARN Cc1cccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)c1 ZINC000020455972 570259096 /nfs/dbraw/zinc/25/90/96/570259096.db2.gz LVBUWHOLIRFXAW-MRXNPFEDSA-N 0 0 381.426 4.683 50 0 GJAARN Cc1ccc2nsnc2c1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000001220605 570259229 /nfs/dbraw/zinc/25/92/29/570259229.db2.gz SBWQDRHUMQXPFA-UHFFFAOYSA-N 0 0 375.453 4.831 50 0 GJAARN COc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000001301049 570260537 /nfs/dbraw/zinc/26/05/37/570260537.db2.gz PMCVYRDIHJGJAR-QFIPXVFZSA-N 0 0 386.451 4.788 50 0 GJAARN O=C(Nc1nccs1)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 ZINC000049032350 570261351 /nfs/dbraw/zinc/26/13/51/570261351.db2.gz MTXMVNOJCHIALA-UHFFFAOYSA-N 0 0 383.454 4.691 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(Cl)c(F)c2)n1 ZINC000049004653 570262038 /nfs/dbraw/zinc/26/20/38/570262038.db2.gz FUNHCJYCBRPCIF-UHFFFAOYSA-N 0 0 384.842 4.710 50 0 GJAARN O=C(CSCC(=O)n1c2ccccc2c2c1CCCC2)Nc1ccccc1 ZINC000001422245 570262483 /nfs/dbraw/zinc/26/24/83/570262483.db2.gz CUJUWSYYGFCNCK-UHFFFAOYSA-N 0 0 378.497 4.532 50 0 GJAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 ZINC000001426312 570262731 /nfs/dbraw/zinc/26/27/31/570262731.db2.gz HGWMJIRPGPPWJK-XMMPIXPASA-N 0 0 397.478 4.521 50 0 GJAARN COc1ccc(Cl)cc1Nc1c(-c2nc(C)no2)cnc2nc(C)ccc21 ZINC000049420749 570266893 /nfs/dbraw/zinc/26/68/93/570266893.db2.gz YWTYQNBDIFQSCN-UHFFFAOYSA-N 0 0 381.823 4.702 50 0 GJAARN CCCCOc1ccc(NC(=O)N2CC(c3nc(-c4cccs4)no3)C2)cc1 ZINC000049484815 570268080 /nfs/dbraw/zinc/26/80/80/570268080.db2.gz VABDFOFQSOFRFH-UHFFFAOYSA-N 0 0 398.488 4.608 50 0 GJAARN C[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3Cl)c(C(N)=O)c2C1 ZINC000001518481 570268444 /nfs/dbraw/zinc/26/84/44/570268444.db2.gz OKXQABXNVWRYIN-MRVPVSSYSA-N 0 0 383.300 4.531 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)c1 ZINC000012865193 570269069 /nfs/dbraw/zinc/26/90/69/570269069.db2.gz SSQYUNKGAJEOOH-UHFFFAOYSA-N 0 0 377.425 4.715 50 0 GJAARN CCCCc1ccc(-n2c(N)c(C(=O)OCC)c3nc4ccccc4nc32)cc1 ZINC000001927641 570270121 /nfs/dbraw/zinc/27/01/21/570270121.db2.gz APGOGTBNIXAXJQ-UHFFFAOYSA-N 0 0 388.471 4.675 50 0 GJAARN COc1ccc2c(c1)-c1onc(C(=O)N(CCC(C)C)CCC(C)C)c1CC2 ZINC000022632668 570272068 /nfs/dbraw/zinc/27/20/68/570272068.db2.gz AWXRAOSKHIOMPJ-UHFFFAOYSA-N 0 0 384.520 4.983 50 0 GJAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000100726730 570272096 /nfs/dbraw/zinc/27/20/96/570272096.db2.gz BBYZKCGYPAPTTA-MRXNPFEDSA-N 0 0 387.668 4.750 50 0 GJAARN CCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000002052175 570272581 /nfs/dbraw/zinc/27/25/81/570272581.db2.gz SXQHCGAAOHMNKA-UHFFFAOYSA-N 0 0 385.514 4.672 50 0 GJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(Br)cc1 ZINC000012871698 570273312 /nfs/dbraw/zinc/27/33/12/570273312.db2.gz XECCBGQDADAUDW-UHFFFAOYSA-N 0 0 399.292 4.904 50 0 GJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@@H](C)Sc4ccccc43)c12 ZINC000012873116 570273710 /nfs/dbraw/zinc/27/37/10/570273710.db2.gz 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570278264 /nfs/dbraw/zinc/27/82/64/570278264.db2.gz GQEUGCLHCHCTEX-CXAGYDPISA-N 0 0 393.281 4.523 50 0 GJAARN O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1c(F)cccc1F ZINC000006156332 570278304 /nfs/dbraw/zinc/27/83/04/570278304.db2.gz OPALIKJAOMWKFF-UHFFFAOYSA-N 0 0 395.361 4.589 50 0 GJAARN Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000002195699 570278448 /nfs/dbraw/zinc/27/84/48/570278448.db2.gz PKZVRLOJPOMAAJ-UHFFFAOYSA-N 0 0 382.876 4.927 50 0 GJAARN Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 ZINC000002200738 570278739 /nfs/dbraw/zinc/27/87/39/570278739.db2.gz UVJMHXXDFJQGGM-UHFFFAOYSA-N 0 0 378.284 4.764 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)cc1 ZINC000015863853 570279716 /nfs/dbraw/zinc/27/97/16/570279716.db2.gz ZPHSVYWBBNIAEU-UHFFFAOYSA-N 0 0 385.467 4.538 50 0 GJAARN CN(C)c1ccc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)cc1 ZINC000015863849 570279783 /nfs/dbraw/zinc/27/97/83/570279783.db2.gz IQKAQNVYBQXMCO-UHFFFAOYSA-N 0 0 384.483 4.666 50 0 GJAARN O=C(CN1CCc2ccccc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002238625 570280157 /nfs/dbraw/zinc/28/01/57/570280157.db2.gz ZOKYESOOJIBTRG-UHFFFAOYSA-N 0 0 390.870 4.572 50 0 GJAARN Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccs1 ZINC000002264209 570280625 /nfs/dbraw/zinc/28/06/25/570280625.db2.gz ZGFUJIKGAPXTMO-UHFFFAOYSA-N 0 0 386.546 4.572 50 0 GJAARN O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000000655673 570284923 /nfs/dbraw/zinc/28/49/23/570284923.db2.gz KGUPEEQRJIBNOA-UHFFFAOYSA-N 0 0 399.416 4.685 50 0 GJAARN Clc1ccc(OCc2nn3c(nnc3-c3ccc(Cl)cc3)s2)cc1 ZINC000002395345 570285981 /nfs/dbraw/zinc/28/59/81/570285981.db2.gz ZFFSUSHMHIQOIZ-UHFFFAOYSA-N 0 0 377.256 4.739 50 0 GJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Br)ccc1F ZINC000012898946 570287303 /nfs/dbraw/zinc/28/73/03/570287303.db2.gz FGZKLSIACNXJQY-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000014086850 570287653 /nfs/dbraw/zinc/28/76/53/570287653.db2.gz CHVPWUUHJWUSQI-QFIPXVFZSA-N 0 0 396.450 4.830 50 0 GJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccc(F)cc3)c12 ZINC000012900986 570288296 /nfs/dbraw/zinc/28/82/96/570288296.db2.gz ZNXTVEXHJVHXIX-CYBMUJFWSA-N 0 0 375.403 4.828 50 0 GJAARN Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000215555072 570289564 /nfs/dbraw/zinc/28/95/64/570289564.db2.gz RBKSONRVZKGBMO-GOSISDBHSA-N 0 0 390.508 4.854 50 0 GJAARN Cc1noc(C)c1CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000021272794 570289776 /nfs/dbraw/zinc/28/97/76/570289776.db2.gz SPEVPRYBLSFQMH-UHFFFAOYSA-N 0 0 395.456 4.565 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Cl)c3ncccc23)cnn1-c1ccccc1F ZINC000012908389 570290850 /nfs/dbraw/zinc/29/08/50/570290850.db2.gz IHSLNAAGJPWWJT-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000010768441 570293323 /nfs/dbraw/zinc/29/33/23/570293323.db2.gz RACVGMVINOUARB-NSHDSACASA-N 0 0 392.286 4.781 50 0 GJAARN O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000012296878 570293625 /nfs/dbraw/zinc/29/36/25/570293625.db2.gz RVADZTOWYIZDJW-UHFFFAOYSA-N 0 0 394.272 4.610 50 0 biogenic GJAARN Cc1ccc([C@@H]2c3ccccc3CCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000023326110 570293795 /nfs/dbraw/zinc/29/37/95/570293795.db2.gz QOGLPXHUYGPHAY-HSZRJFAPSA-N 0 0 386.451 4.903 50 0 GJAARN Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021790520 570295948 /nfs/dbraw/zinc/29/59/48/570295948.db2.gz AOOXNNLTGOEIJD-UHFFFAOYSA-N 0 0 380.801 4.977 50 0 GJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5C)c4ncn3n2)cc1 ZINC000021801126 570296707 /nfs/dbraw/zinc/29/67/07/570296707.db2.gz NQFHOCJPDLEHCW-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000021822234 570297155 /nfs/dbraw/zinc/29/71/55/570297155.db2.gz LPUXUFZHCNCLRK-UHFFFAOYSA-N 0 0 393.575 4.690 50 0 GJAARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 ZINC000000708815 570297948 /nfs/dbraw/zinc/29/79/48/570297948.db2.gz CTYXBMYAWBRVKS-AWEZNQCLSA-N 0 0 382.287 4.747 50 0 GJAARN COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000002759334 570298849 /nfs/dbraw/zinc/29/88/49/570298849.db2.gz ZEPJOGSVSWKVRU-KRWDZBQOSA-N 0 0 398.311 4.648 50 0 GJAARN CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccco1 ZINC000021903078 570298986 /nfs/dbraw/zinc/29/89/86/570298986.db2.gz LZKCHMWKDNUBOL-QFIPXVFZSA-N 0 0 385.467 4.528 50 0 GJAARN COc1cc(-c2nc(C(=O)NCC(C)C)cs2)ccc1OCc1ccccc1 ZINC000034712281 570303420 /nfs/dbraw/zinc/30/34/20/570303420.db2.gz QAGLZSSNFDSZGX-UHFFFAOYSA-N 0 0 396.512 4.784 50 0 GJAARN CCOc1c(Cl)cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1OC ZINC000015976890 570303957 /nfs/dbraw/zinc/30/39/57/570303957.db2.gz UEINAVNLJBWNOB-UHFFFAOYSA-N 0 0 387.785 4.696 50 0 GJAARN COc1ccc(/C=C/C(=O)N[C@H](c2ccsc2)c2cccs2)cc1OC ZINC000575414654 570305213 /nfs/dbraw/zinc/30/52/13/570305213.db2.gz HVSMENMOIRDPET-CPSHHHPTSA-N 0 0 385.510 4.746 50 0 GJAARN COC(=O)c1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1C ZINC000002843210 570307342 /nfs/dbraw/zinc/30/73/42/570307342.db2.gz BBXHQPPCZXHDTP-UHFFFAOYSA-N 0 0 398.311 4.960 50 0 GJAARN O=C(Nc1nnc(CSCc2ccc(Cl)cc2)s1)c1cccs1 ZINC000002843806 570307417 /nfs/dbraw/zinc/30/74/17/570307417.db2.gz MPGFEBSHCDUVHH-UHFFFAOYSA-N 0 0 381.935 4.939 50 0 GJAARN COc1cccc(C(=O)COc2cccc(NC(=O)c3ccccc3C)c2)c1 ZINC000002845600 570307724 /nfs/dbraw/zinc/30/77/24/570307724.db2.gz FJBHJPFPYJJSMK-UHFFFAOYSA-N 0 0 375.424 4.518 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000022236692 570309438 /nfs/dbraw/zinc/30/94/38/570309438.db2.gz ZPSIXETZDPMWDQ-IBGZPJMESA-N 0 0 382.847 4.981 50 0 GJAARN S=C(c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CCOCC1 ZINC000002866510 570312625 /nfs/dbraw/zinc/31/26/25/570312625.db2.gz QAIMMZPSBWZGAW-UHFFFAOYSA-N 0 0 382.312 4.580 50 0 GJAARN CCCCC1CCC(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OC)CC1 ZINC000002866574 570312628 /nfs/dbraw/zinc/31/26/28/570312628.db2.gz ZUWRRLHCQVTNTG-UHFFFAOYSA-N 0 0 379.522 4.981 50 0 GJAARN CCOc1cc(C=O)cc(Br)c1OCCOc1c(C)cccc1C ZINC000002866702 570312884 /nfs/dbraw/zinc/31/28/84/570312884.db2.gz RVKDNOIJXSTCER-UHFFFAOYSA-N 0 0 393.277 4.735 50 0 GJAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000022320800 570312980 /nfs/dbraw/zinc/31/29/80/570312980.db2.gz LWBTVZGUXVZSQP-UHFFFAOYSA-N 0 0 386.838 4.504 50 0 GJAARN O=C(NCc1ccccc1Cl)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000002873168 570314071 /nfs/dbraw/zinc/31/40/71/570314071.db2.gz OBQMQKDEZKCNJO-UHFFFAOYSA-N 0 0 388.854 4.987 50 0 GJAARN CCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(OC)ccc21 ZINC000012323321 570314338 /nfs/dbraw/zinc/31/43/38/570314338.db2.gz NVSIVQPZHAMXGH-UHFFFAOYSA-N 0 0 391.254 4.589 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1OC ZINC000002880747 570315692 /nfs/dbraw/zinc/31/56/92/570315692.db2.gz WSQIXVKXRYKBMC-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)CCC(C)C)n2)cc1OC ZINC000022463212 570317538 /nfs/dbraw/zinc/31/75/38/570317538.db2.gz HHYNQDZSLRHBTP-UHFFFAOYSA-N 0 0 395.459 4.796 50 0 GJAARN COc1ccc(-c2nc(CSCC(=O)Nc3ccc(Cl)cc3)co2)cc1 ZINC000012952571 570319021 /nfs/dbraw/zinc/31/90/21/570319021.db2.gz PRQGLIFQPXZRDN-UHFFFAOYSA-N 0 0 388.876 4.876 50 0 GJAARN COc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C ZINC000575473061 570319892 /nfs/dbraw/zinc/31/98/92/570319892.db2.gz BJZGJTUBTIOHKH-AWEZNQCLSA-N 0 0 391.467 4.755 50 0 GJAARN CC(=O)O[C@H](C(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1)c1ccccc1 ZINC000023333387 570320981 /nfs/dbraw/zinc/32/09/81/570320981.db2.gz MVYOEUZSBUQBBA-DQEYMECFSA-N 0 0 399.490 4.774 50 0 GJAARN O=S(=O)(Oc1cccc2cccnc21)c1cc(Cl)c(Cl)cc1Cl ZINC000002978450 570321478 /nfs/dbraw/zinc/32/14/78/570321478.db2.gz LPJNNGDGJOERIL-UHFFFAOYSA-N 0 0 388.659 4.963 50 0 GJAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(F)c1 ZINC000002978548 570321658 /nfs/dbraw/zinc/32/16/58/570321658.db2.gz CZIIWYUFTYCZBK-UHFFFAOYSA-N 0 0 377.655 4.913 50 0 GJAARN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000002982794 570322488 /nfs/dbraw/zinc/32/24/88/570322488.db2.gz HXLUISQIXKGNEC-UHFFFAOYSA-N 0 0 384.726 4.766 50 0 GJAARN Cc1ccccc1OCCOc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1 ZINC000002991033 570323990 /nfs/dbraw/zinc/32/39/90/570323990.db2.gz VFQPRNMBHPWRAB-XLNRJJMWSA-N 0 0 399.446 4.797 50 0 GJAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000026436252 570327148 /nfs/dbraw/zinc/32/71/48/570327148.db2.gz UTQMTDFYADHQHN-SCLBCKFNSA-N 0 0 396.468 4.508 50 0 GJAARN COc1ccc(C)cc1Nc1nc(N)c(C(=O)c2cc(C)c(C)cc2C)s1 ZINC000032947898 570330540 /nfs/dbraw/zinc/33/05/40/570330540.db2.gz QSPGWTRWGOFCAJ-UHFFFAOYSA-N 0 0 381.501 4.942 50 0 GJAARN CN(Cc1ccccc1)C(=O)Nc1c(N)n(-c2ccccc2)nc1-c1ccccc1 ZINC000034785382 570332049 /nfs/dbraw/zinc/33/20/49/570332049.db2.gz WSHWPPHYKFEQDD-UHFFFAOYSA-N 0 0 397.482 4.785 50 0 GJAARN CCCCCNC(=O)c1cnn2c1nccc2-c1ccc(-c2ccccc2)cc1 ZINC000034786854 570332274 /nfs/dbraw/zinc/33/22/74/570332274.db2.gz QGKKRBHDWKYHSP-UHFFFAOYSA-N 0 0 384.483 4.983 50 0 GJAARN Cc1csc(Sc2ccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)cc2)n1 ZINC000078702931 570332806 /nfs/dbraw/zinc/33/28/06/570332806.db2.gz MNHSLJGEERHOHY-CYBMUJFWSA-N 0 0 377.535 4.634 50 0 GJAARN COc1cc2c(cc1NC(=S)NC(=O)c1ccc(F)cc1)oc1ccccc12 ZINC000003225479 570333204 /nfs/dbraw/zinc/33/32/04/570333204.db2.gz ZMOHSSMAEOASLB-UHFFFAOYSA-N 0 0 394.427 4.861 50 0 GJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)CC(C)(C)C)CC1)=Nc1ccccc1O2 ZINC000034813587 570334772 /nfs/dbraw/zinc/33/47/72/570334772.db2.gz BFCKWHRVFCUDNP-UHFFFAOYSA-N 0 0 391.515 4.759 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ccncc2Cl)C1 ZINC000575612054 570336451 /nfs/dbraw/zinc/33/64/51/570336451.db2.gz IQFPAMIFBAHZHN-CQSZACIVSA-N 0 0 399.800 4.829 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2c(-c3ccc(Cl)cc3)n[nH]c2C2CC2)c1 ZINC000034794349 570337069 /nfs/dbraw/zinc/33/70/69/570337069.db2.gz IOORJDWMXDFFBI-UHFFFAOYSA-N 0 0 397.862 4.877 50 0 GJAARN O=S(=O)(Cc1ccccc1Cl)NCCc1ccc(-c2ccsc2)s1 ZINC000575612952 570337998 /nfs/dbraw/zinc/33/79/98/570337998.db2.gz DULHGANJLHYJPS-UHFFFAOYSA-N 0 0 397.974 4.792 50 0 GJAARN Cc1nn(CCNC(=O)c2ccccc2C(F)(F)F)c(C)c1-c1cccs1 ZINC000575613078 570338064 /nfs/dbraw/zinc/33/80/64/570338064.db2.gz UPCQKZRBNJXMGO-UHFFFAOYSA-N 0 0 393.434 4.677 50 0 GJAARN O=C(Nc1c(-c2ccccc2)n[nH]c1C1CCOCC1)c1ccc(Cl)cc1 ZINC000034796884 570338262 /nfs/dbraw/zinc/33/82/62/570338262.db2.gz JPJZUENVOXINKV-UHFFFAOYSA-N 0 0 381.863 4.876 50 0 GJAARN CCn1nc(-c2ccc(OC)cc2F)cc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000034903692 570338534 /nfs/dbraw/zinc/33/85/34/570338534.db2.gz IEKVRYKDXZSGEQ-HXUWFJFHSA-N 0 0 393.462 4.525 50 0 GJAARN CCN(CC)c1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)c(C)c1 ZINC000011693156 570340698 /nfs/dbraw/zinc/34/06/98/570340698.db2.gz BPCRUQODPHDYOR-UHFFFAOYSA-N 0 0 381.451 4.817 50 0 GJAARN Cc1ccc(-n2nc(C(=O)N[C@@H]3CCCc4ccccc43)nc2-c2ccco2)cc1 ZINC000034911380 570340727 /nfs/dbraw/zinc/34/07/27/570340727.db2.gz WFYWIKNZZWYWFR-HXUWFJFHSA-N 0 0 398.466 4.643 50 0 GJAARN CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 ZINC000012342108 570341140 /nfs/dbraw/zinc/34/11/40/570341140.db2.gz NJSWBKKKGXBNGX-UHFFFAOYSA-N 0 0 383.451 4.567 50 0 GJAARN CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000023994008 570341836 /nfs/dbraw/zinc/34/18/36/570341836.db2.gz MKOZYKZYSRRQMG-UHFFFAOYSA-N 0 0 381.867 4.866 50 0 GJAARN CC(=O)N(c1nc(/C=C/C(=O)N[C@H](C)CCC(C)C)cs1)c1ccccc1 ZINC000023054906 570342104 /nfs/dbraw/zinc/34/21/04/570342104.db2.gz ROGCPKRNFVVLDS-CJTWTEFWSA-N 0 0 385.533 4.782 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2sc(C)c(C)c2c(N)n1 ZINC000023074967 570342657 /nfs/dbraw/zinc/34/26/57/570342657.db2.gz RFYUTVHAAQVJCJ-UHFFFAOYSA-N 0 0 382.514 4.655 50 0 GJAARN CCOc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000022356748 570342850 /nfs/dbraw/zinc/34/28/50/570342850.db2.gz IEQVUWFHXRQKEU-UHFFFAOYSA-N 0 0 390.483 4.973 50 0 GJAARN CCn1nc(C(=O)NCc2ccccc2F)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901485 570343575 /nfs/dbraw/zinc/34/35/75/570343575.db2.gz IPLDPZACRPBVQO-UHFFFAOYSA-N 0 0 391.368 4.658 50 0 GJAARN Cn1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)n1 ZINC000011695533 570343693 /nfs/dbraw/zinc/34/36/93/570343693.db2.gz AVZDVAQFSCZSCP-UHFFFAOYSA-N 0 0 376.441 4.588 50 0 GJAARN CCCn1nc(C(=O)Nc2cccc(OC)c2)cc1-c1ccc(Cl)s1 ZINC000034902346 570344033 /nfs/dbraw/zinc/34/40/33/570344033.db2.gz QNNGHSQEZQLXHF-UHFFFAOYSA-N 0 0 375.881 4.936 50 0 GJAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)Cc1nc(-c2ccccc2)no1 ZINC000023128461 570345222 /nfs/dbraw/zinc/34/52/22/570345222.db2.gz ZIQGYAWFKFIFJR-UHFFFAOYSA-N 0 0 394.862 4.985 50 0 GJAARN CCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000034924425 570345508 /nfs/dbraw/zinc/34/55/08/570345508.db2.gz PBLMKKALAIAJJQ-UHFFFAOYSA-N 0 0 394.968 4.709 50 0 GJAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)Cc1ccc(F)cc1 ZINC000034912677 570346507 /nfs/dbraw/zinc/34/65/07/570346507.db2.gz VWZVKIJRPMNSQM-UHFFFAOYSA-N 0 0 389.430 4.639 50 0 GJAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000000809531 570348572 /nfs/dbraw/zinc/34/85/72/570348572.db2.gz VCSAIWPENSQRSX-UHFFFAOYSA-N 0 0 393.786 4.524 50 0 GJAARN O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399432 570349746 /nfs/dbraw/zinc/34/97/46/570349746.db2.gz VQRZYXWCVOXWJG-UHFFFAOYSA-N 0 0 382.467 4.516 50 0 biogenic GJAARN Cc1ccc2c(c1)NC1(CCN(C(=O)CCc3ccccc3)CC1)c1cccn1-2 ZINC000035399446 570349947 /nfs/dbraw/zinc/34/99/47/570349947.db2.gz DGVZRWMSVKFFLD-UHFFFAOYSA-N 0 0 385.511 4.662 50 0 biogenic GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)CCc3ccccc3)CC1)N2 ZINC000035399563 570350534 /nfs/dbraw/zinc/35/05/34/570350534.db2.gz UTGZJWODZQDOAJ-UHFFFAOYSA-N 0 0 399.538 4.970 50 0 biogenic GJAARN Cc1ccccc1Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21 ZINC000035400296 570350912 /nfs/dbraw/zinc/35/09/12/570350912.db2.gz CRUXFLZARQHRPS-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN CCNc1ccc(C(=O)OCC)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004868197 570351596 /nfs/dbraw/zinc/35/15/96/570351596.db2.gz BGTZTCXRBQLBBY-UHFFFAOYSA-N 0 0 395.381 4.958 50 0 GJAARN CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1 ZINC000004003525 570354245 /nfs/dbraw/zinc/35/42/45/570354245.db2.gz CIZVRWOZIDFZTA-UHFFFAOYSA-N 0 0 385.847 4.737 50 0 GJAARN CCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2cccc(C)c2)c1 ZINC000023326754 570354672 /nfs/dbraw/zinc/35/46/72/570354672.db2.gz PSLWCWZMPUSHLM-UHFFFAOYSA-N 0 0 391.471 4.763 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000004889324 570356668 /nfs/dbraw/zinc/35/66/68/570356668.db2.gz GVZFPFVICPMHPG-NRFANRHFSA-N 0 0 393.556 4.858 50 0 GJAARN Cc1ccc(CNC(=O)c2nc3ccccc3c(Nc3cccc(C)c3)n2)cc1 ZINC000035429651 570357542 /nfs/dbraw/zinc/35/75/42/570357542.db2.gz TWMFAZWNFFZUQQ-UHFFFAOYSA-N 0 0 382.467 4.920 50 0 GJAARN CCc1ccc(Nc2nc(C(=O)NCc3ccccc3)nc3ccccc32)cc1 ZINC000035430013 570358052 /nfs/dbraw/zinc/35/80/52/570358052.db2.gz WXYAPFYFIOVSIE-UHFFFAOYSA-N 0 0 382.467 4.866 50 0 GJAARN CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000004118961 570358104 /nfs/dbraw/zinc/35/81/04/570358104.db2.gz ANYSNVIXMHPKQV-MRXNPFEDSA-N 0 0 385.291 4.553 50 0 GJAARN Cc1c(Cl)ccc2c(C(=O)NCc3ccccn3)cc(-c3ccccn3)nc12 ZINC000006275635 570358507 /nfs/dbraw/zinc/35/85/07/570358507.db2.gz PBOSMRVFVKCEPS-UHFFFAOYSA-N 0 0 388.858 4.584 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000006278098 570358845 /nfs/dbraw/zinc/35/88/45/570358845.db2.gz NCVHJWRFOGZXGF-UHFFFAOYSA-N 0 0 398.869 4.645 50 0 GJAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004147661 570359935 /nfs/dbraw/zinc/35/99/35/570359935.db2.gz UOJCEXBJAOIXLI-UHFFFAOYSA-N 0 0 382.419 4.941 50 0 GJAARN O=C(Nc1cc(F)ccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035446720 570360402 /nfs/dbraw/zinc/36/04/02/570360402.db2.gz KRVNSDYWCRYBET-UHFFFAOYSA-N 0 0 394.425 4.704 50 0 biogenic GJAARN COc1ccc(C2=NN(c3nc(C)c(C(C)=O)s3)[C@@H](c3ccco3)C2)cc1 ZINC000004189265 570362254 /nfs/dbraw/zinc/36/22/54/570362254.db2.gz NTEYEASRBZNLKB-QGZVFWFLSA-N 0 0 381.457 4.611 50 0 GJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(F)c1 ZINC000023532001 570364320 /nfs/dbraw/zinc/36/43/20/570364320.db2.gz QRJJOELJEQRGDR-UHFFFAOYSA-N 0 0 397.277 4.552 50 0 GJAARN C[C@H](Cc1csc2ccccc12)NS(=O)(=O)Cc1ccccc1Cl ZINC000575618705 570364742 /nfs/dbraw/zinc/36/47/42/570364742.db2.gz BFRXYUSIEGZUOD-CYBMUJFWSA-N 0 0 379.934 4.605 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)Cc3ccccc3C)CC1)N2 ZINC000035475950 570365597 /nfs/dbraw/zinc/36/55/97/570365597.db2.gz QQLSJMXBOWZISK-UHFFFAOYSA-N 0 0 399.538 4.888 50 0 biogenic GJAARN CC(=O)c1cc(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)oc1C ZINC000023646491 570367853 /nfs/dbraw/zinc/36/78/53/570367853.db2.gz RJQWKCQUCFROJP-UHFFFAOYSA-N 0 0 383.532 4.996 50 0 GJAARN CCOc1ccc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000004925180 570370566 /nfs/dbraw/zinc/37/05/66/570370566.db2.gz DIOKEQDLVGNREE-UHFFFAOYSA-N 0 0 379.529 4.932 50 0 GJAARN CCCn1c(=O)[nH]c2cc(-c3noc(/C=C/c4ccccc4Cl)n3)ccc21 ZINC000035482017 570373747 /nfs/dbraw/zinc/37/37/47/570373747.db2.gz QIDIYABKDPDXNC-CSKARUKUSA-N 0 0 380.835 4.613 50 0 GJAARN Cc1ccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)[nH]2)cc1 ZINC000023851043 570373878 /nfs/dbraw/zinc/37/38/78/570373878.db2.gz BUJPYLICBRKBTO-UHFFFAOYSA-N 0 0 381.530 4.615 50 0 GJAARN CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(F)cc1 ZINC000023887256 570374742 /nfs/dbraw/zinc/37/47/42/570374742.db2.gz OZDIVNWQFNHBSO-UHFFFAOYSA-N 0 0 394.475 4.655 50 0 GJAARN Cc1ccsc1CN(C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000023955916 570375923 /nfs/dbraw/zinc/37/59/23/570375923.db2.gz JBYPELPOIGTWDU-UHFFFAOYSA-N 0 0 380.473 4.702 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2cccc(OC)c2OC)cc1 ZINC000008394317 570376598 /nfs/dbraw/zinc/37/65/98/570376598.db2.gz JEAHAWVXMIJMSZ-WMJZSHNHSA-N 0 0 395.499 4.870 50 0 GJAARN Cc1nn(C)c2ncc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)cc12 ZINC000024032608 570377323 /nfs/dbraw/zinc/37/73/23/570377323.db2.gz OGLXGGBXLOESGA-UHFFFAOYSA-N 0 0 399.479 4.806 50 0 GJAARN Cc1nc(CC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cs1 ZINC000024038881 570377612 /nfs/dbraw/zinc/37/76/12/570377612.db2.gz WZNQDMDRCPAPSX-UHFFFAOYSA-N 0 0 398.340 4.987 50 0 GJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12 ZINC000004941116 570378035 /nfs/dbraw/zinc/37/80/35/570378035.db2.gz YIWODCFCIMUUSR-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN O=C(C1CCN(Cn2c3ccccc3sc2=S)CC1)N1CCCCCC1 ZINC000024082755 570378478 /nfs/dbraw/zinc/37/84/78/570378478.db2.gz AUBXJLFNSWPJHG-UHFFFAOYSA-N 0 0 389.590 4.504 50 0 GJAARN O=C(COc1ccc(F)cc1F)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000024237766 570381041 /nfs/dbraw/zinc/38/10/41/570381041.db2.gz FYJHUKOYVAGVNC-IBGZPJMESA-N 0 0 381.378 4.511 50 0 GJAARN CCOc1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1ccc(Cl)cn1 ZINC000004960659 570382293 /nfs/dbraw/zinc/38/22/93/570382293.db2.gz CMLAGTOSUJRJLG-FQEVSTJZSA-N 0 0 379.847 4.905 50 0 GJAARN COc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)cc1Cl ZINC000004960547 570382299 /nfs/dbraw/zinc/38/22/99/570382299.db2.gz IDTFGKCWMIMYIA-FQEVSTJZSA-N 0 0 379.847 4.510 50 0 GJAARN NC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 ZINC000000830366 570383949 /nfs/dbraw/zinc/38/39/49/570383949.db2.gz XUZZTSAXIRMPDP-UHFFFAOYSA-N 0 0 384.288 4.677 50 0 GJAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000004554135 570383989 /nfs/dbraw/zinc/38/39/89/570383989.db2.gz QNFHEVDSOADLHT-AREMUKBSSA-N 0 0 396.490 4.876 50 0 GJAARN O=C(Nc1cccc(C(=O)NC2CCCCC2)c1)c1nsc2ccccc21 ZINC000035510325 570384081 /nfs/dbraw/zinc/38/40/81/570384081.db2.gz HUZUNIQLVCDBPI-UHFFFAOYSA-N 0 0 379.485 4.611 50 0 GJAARN O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000031812768 570385800 /nfs/dbraw/zinc/38/58/00/570385800.db2.gz UUVDXFVPHWSBKK-UHFFFAOYSA-N 0 0 375.815 4.908 50 0 GJAARN Cn1cc(-c2nc(COC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)cs2)cn1 ZINC000061169313 570387005 /nfs/dbraw/zinc/38/70/05/570387005.db2.gz PMDXFFUGABOLBU-UHFFFAOYSA-N 0 0 394.500 4.679 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000024628239 570388161 /nfs/dbraw/zinc/38/81/61/570388161.db2.gz 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O=C1c2cccc3cccc(c23)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000024843811 570396482 /nfs/dbraw/zinc/39/64/82/570396482.db2.gz IUQOPZJPRAZNGE-OAQYLSRUSA-N 0 0 395.458 4.907 50 0 GJAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccccn4)n3)o2)cc1 ZINC000035560872 570396766 /nfs/dbraw/zinc/39/67/66/570396766.db2.gz RDWIQQBIJXNYBJ-UHFFFAOYSA-N 0 0 394.438 4.662 50 0 GJAARN Cc1cc(C(=O)Nc2ccc(Br)cc2C)c2cnn(C(C)C)c2n1 ZINC000010964119 570396764 /nfs/dbraw/zinc/39/67/64/570396764.db2.gz KAJDIESUCCHMFI-UHFFFAOYSA-N 0 0 387.281 4.644 50 0 GJAARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)c(C)cc3C)o2)cc1OC ZINC000005019138 570397902 /nfs/dbraw/zinc/39/79/02/570397902.db2.gz GDYQMZNGOMBRCG-UHFFFAOYSA-N 0 0 398.484 4.654 50 0 GJAARN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl ZINC000005024346 570398816 /nfs/dbraw/zinc/39/88/16/570398816.db2.gz JZABJXVQAIZWJI-UHFFFAOYSA-N 0 0 383.344 4.567 50 0 GJAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000032950690 570398867 /nfs/dbraw/zinc/39/88/67/570398867.db2.gz 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570403313 /nfs/dbraw/zinc/40/33/13/570403313.db2.gz PODOLIWSLLTVFL-UHFFFAOYSA-N 0 0 395.802 4.515 50 0 GJAARN Cc1sc2nc(SCc3nc(C(C)C)no3)n(CC(C)C)c(=O)c2c1C ZINC000025060630 570405184 /nfs/dbraw/zinc/40/51/84/570405184.db2.gz MQGSNRGDMIEKGR-UHFFFAOYSA-N 0 0 392.550 4.530 50 0 GJAARN CCOc1ccc(CNC(=O)c2csc(Nc3ccc(C)cc3C)n2)cc1 ZINC000033280748 570405678 /nfs/dbraw/zinc/40/56/78/570405678.db2.gz ZKNZSYHEUWEXLA-UHFFFAOYSA-N 0 0 381.501 4.832 50 0 GJAARN CCC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 ZINC000022648358 570406355 /nfs/dbraw/zinc/40/63/55/570406355.db2.gz XJJDCUNGYFSOCK-IVZQSRNASA-N 0 0 385.479 4.753 50 0 GJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000012982205 570407032 /nfs/dbraw/zinc/40/70/32/570407032.db2.gz SSGJFHLYPPBOOR-MAUKXSAKSA-N 0 0 392.952 4.757 50 0 GJAARN Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc12 ZINC000004809595 570407062 /nfs/dbraw/zinc/40/70/62/570407062.db2.gz RLQKXKZOIJTLTD-UHFFFAOYSA-N 0 0 396.244 4.918 50 0 GJAARN Cc1oc(-c2cccc(C)c2)nc1CSCC(=O)NCCc1ccccc1 ZINC000005057662 570407500 /nfs/dbraw/zinc/40/75/00/570407500.db2.gz FQJHKZDTDKSSBZ-UHFFFAOYSA-N 0 0 380.513 4.551 50 0 GJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Cn3ccnc3)c2)c1 ZINC000025173312 570407790 /nfs/dbraw/zinc/40/77/90/570407790.db2.gz HTEJELUKOJTPGO-UHFFFAOYSA-N 0 0 392.459 4.531 50 0 GJAARN CC(C)[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000025309797 570410774 /nfs/dbraw/zinc/41/07/74/570410774.db2.gz LURJBDLCAKTSRQ-GOSISDBHSA-N 0 0 376.287 4.717 50 0 GJAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1C ZINC000004841999 570411031 /nfs/dbraw/zinc/41/10/31/570411031.db2.gz CRJJQLMCSSWUQM-OAHLLOKOSA-N 0 0 398.528 4.684 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1OC ZINC000004880907 570415114 /nfs/dbraw/zinc/41/51/14/570415114.db2.gz NPTRTDXYELDVBP-UHFFFAOYSA-N 0 0 392.333 4.630 50 0 GJAARN C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000013004985 570415151 /nfs/dbraw/zinc/41/51/51/570415151.db2.gz 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570416957 /nfs/dbraw/zinc/41/69/57/570416957.db2.gz KPXCJZXZXHTVCW-GOSISDBHSA-N 0 0 395.499 4.982 50 0 GJAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NC4CCC(C)CC4)C3)nc2c(C)c1 ZINC000005107701 570418445 /nfs/dbraw/zinc/41/84/45/570418445.db2.gz KDBJXCVCBCYIMU-ZCDVPAHGSA-N 0 0 385.577 4.824 50 0 GJAARN FC(F)(F)c1nc2ccccc2c(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000025713104 570418489 /nfs/dbraw/zinc/41/84/89/570418489.db2.gz AJVJWFLWGJKIDH-UHFFFAOYSA-N 0 0 397.404 4.909 50 0 GJAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000025781799 570419457 /nfs/dbraw/zinc/41/94/57/570419457.db2.gz YJSUDLJDICUKHV-GCJKJVERSA-N 0 0 376.412 4.539 50 0 GJAARN O=C(COc1cccc2c1ccn2Cc1ccccc1)Nc1ccc(Cl)nc1 ZINC000253414501 570420393 /nfs/dbraw/zinc/42/03/93/570420393.db2.gz XRHDPEYBEARXHG-UHFFFAOYSA-N 0 0 391.858 4.756 50 0 GJAARN CC(C)[C@H](C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 ZINC000025918160 570420788 /nfs/dbraw/zinc/42/07/88/570420788.db2.gz LPDYQMOPVQYMMV-KKSFZXQISA-N 0 0 396.922 4.880 50 0 GJAARN CCCc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)[nH]n1 ZINC000026035026 570421828 /nfs/dbraw/zinc/42/18/28/570421828.db2.gz ZFIYEFRRRGIYEW-UHFFFAOYSA-N 0 0 388.924 4.645 50 0 GJAARN CCCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c1 ZINC000001780305 570423395 /nfs/dbraw/zinc/42/33/95/570423395.db2.gz RPRDPWGQARWKQQ-ACCUITESSA-N 0 0 397.471 4.703 50 0 GJAARN Cc1ccccc1Cn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000006443956 570423659 /nfs/dbraw/zinc/42/36/59/570423659.db2.gz WKJXEHNBSNAEGT-UHFFFAOYSA-N 0 0 375.516 4.632 50 0 GJAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(Cl)cc4)c(=O)c23)C1 ZINC000001784980 570423940 /nfs/dbraw/zinc/42/39/40/570423940.db2.gz MOIMTCOQTWOHBG-ZDUSSCGKSA-N 0 0 387.936 4.706 50 0 GJAARN Cc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000001786155 570424504 /nfs/dbraw/zinc/42/45/04/570424504.db2.gz NBSNUSPEBPOZHK-UHFFFAOYSA-N 0 0 395.673 4.733 50 0 GJAARN O=C(Cc1csc(-c2ccco2)n1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000026690544 570427824 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Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C(=O)CC(C)(C)C)C1 ZINC000006696322 570539125 /nfs/dbraw/zinc/53/91/25/570539125.db2.gz UCZMLRCSHZTFEQ-FQEVSTJZSA-N 0 0 378.516 4.953 50 0 GJAARN CC(C)c1csc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)s2)n1 ZINC000064769456 570541371 /nfs/dbraw/zinc/54/13/71/570541371.db2.gz XHYAGDQYKPKMNQ-UHFFFAOYSA-N 0 0 396.534 4.613 50 0 GJAARN COc1ccc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c(OC)c1 ZINC000034717170 570543276 /nfs/dbraw/zinc/54/32/76/570543276.db2.gz QHFHODICLVQMJL-UHFFFAOYSA-N 0 0 398.484 4.867 50 0 GJAARN COc1cccc(CC(=O)Nc2c(C)[nH]nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000034795487 570543791 /nfs/dbraw/zinc/54/37/91/570543791.db2.gz OPYHYYBXNRGQIN-UHFFFAOYSA-N 0 0 389.377 4.594 50 0 GJAARN CC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)NC(C)C ZINC000036115095 570544030 /nfs/dbraw/zinc/54/40/30/570544030.db2.gz WTFJPQCQVYITRL-UHFFFAOYSA-N 0 0 395.956 4.952 50 0 GJAARN O=C1OCc2csc(Br)c2-c2c(Br)scc21 ZINC000000984423 570546264 /nfs/dbraw/zinc/54/62/64/570546264.db2.gz LNENBPFYKRECHK-UHFFFAOYSA-N 0 0 380.082 4.672 50 0 GJAARN COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000001011873 570546798 /nfs/dbraw/zinc/54/67/98/570546798.db2.gz GOBHCKXKLOGNBS-LZYBPNLTSA-N 0 0 375.833 4.598 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1Br ZINC000005279365 570548731 /nfs/dbraw/zinc/54/87/31/570548731.db2.gz NTTFSYIIXKUOGQ-UHFFFAOYSA-N 0 0 377.263 4.628 50 0 GJAARN Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Cl)s3)o2)c1 ZINC000005294898 570549158 /nfs/dbraw/zinc/54/91/58/570549158.db2.gz AZYVXURIGQQVMI-UHFFFAOYSA-N 0 0 380.878 4.647 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCSc4ccc(F)cc43)cs2)o1 ZINC000046175435 570549275 /nfs/dbraw/zinc/54/92/75/570549275.db2.gz MFDSJZWRFYYZIL-HNNXBMFYSA-N 0 0 388.489 4.746 50 0 GJAARN CC(C)CC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC(C)C ZINC000036149260 570549557 /nfs/dbraw/zinc/54/95/57/570549557.db2.gz FLABELUXYNAZCI-UHFFFAOYSA-N 0 0 383.536 4.973 50 0 GJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1 ZINC000006721225 570550010 /nfs/dbraw/zinc/55/00/10/570550010.db2.gz ADPLFXGPKNUCGV-UHFFFAOYSA-N 0 0 392.528 4.659 50 0 GJAARN Cc1ccccc1CN1CCCN(c2cccc(C(=O)NCCC(C)C)c2)C1=O ZINC000035180887 570550369 /nfs/dbraw/zinc/55/03/69/570550369.db2.gz WAVHPIOQSWQGIM-UHFFFAOYSA-N 0 0 393.531 4.603 50 0 GJAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1ccco1 ZINC000006722207 570550819 /nfs/dbraw/zinc/55/08/19/570550819.db2.gz XLJPMYGDROLSJX-KRWDZBQOSA-N 0 0 399.535 4.771 50 0 GJAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(CC1CC1)C(=O)CC(C)(C)C ZINC000006722429 570551159 /nfs/dbraw/zinc/55/11/59/570551159.db2.gz CKVUYPBXMJFMED-UHFFFAOYSA-N 0 0 399.579 4.666 50 0 GJAARN COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)c3ccco3)nc21 ZINC000005299748 570551811 /nfs/dbraw/zinc/55/18/11/570551811.db2.gz SEYHGTTVIQVNRA-UHFFFAOYSA-N 0 0 394.452 4.754 50 0 GJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(Cl)c12 ZINC000005313775 570552641 /nfs/dbraw/zinc/55/26/41/570552641.db2.gz YNRPUBCQKBKHJA-AWEZNQCLSA-N 0 0 390.874 4.873 50 0 GJAARN CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)nn12 ZINC000009252405 570553366 /nfs/dbraw/zinc/55/33/66/570553366.db2.gz QVWMESBPXIVJSM-UHFFFAOYSA-N 0 0 397.891 4.629 50 0 GJAARN Cc1c(C)c(=O)oc2c1ccc1c2CN(Cc2cccc(C(F)(F)F)c2)CO1 ZINC000061997685 570553875 /nfs/dbraw/zinc/55/38/75/570553875.db2.gz WTOMCWYESXYLEV-UHFFFAOYSA-N 0 0 389.373 4.781 50 0 biogenic GJAARN CCc1nc2sc([C@H](c3ccccc3Cl)[NH+]3CCC(C)CC3)c([O-])n2n1 ZINC000022853266 570556469 /nfs/dbraw/zinc/55/64/69/570556469.db2.gz UNTAOCUMUUIHQC-INIZCTEOSA-N 0 0 390.940 4.534 50 0 GJAARN COc1ccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn32)cc1OC ZINC000035616471 570556465 /nfs/dbraw/zinc/55/64/65/570556465.db2.gz KXUXVBJLMBEMGK-UHFFFAOYSA-N 0 0 375.428 4.776 50 0 GJAARN CCc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000006736129 570558565 /nfs/dbraw/zinc/55/85/65/570558565.db2.gz KIGCVEPMQMPWSW-JOCHJYFZSA-N 0 0 392.480 4.873 50 0 GJAARN CC[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccccc2)C1=O ZINC000035873017 570558761 /nfs/dbraw/zinc/55/87/61/570558761.db2.gz KGAYALSCQVCLCE-OAQYLSRUSA-N 0 0 392.499 4.515 50 0 GJAARN CC(C)Cc1ccc([C@H](C)c2nn3c(nnc(-c4ccccc4)c3=O)s2)cc1 ZINC000009483637 570559041 /nfs/dbraw/zinc/55/90/41/570559041.db2.gz LDWJOILEKMWBKV-HNNXBMFYSA-N 0 0 390.512 4.563 50 0 GJAARN COc1cc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc(OC)c1 ZINC000006737193 570559908 /nfs/dbraw/zinc/55/99/08/570559908.db2.gz MLINEEZNTHKYCY-HXUWFJFHSA-N 0 0 395.846 4.523 50 0 GJAARN Cc1csc(=O)n1CC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 ZINC000040157048 570560094 /nfs/dbraw/zinc/56/00/94/570560094.db2.gz VWJVRWZFPNSKKB-UHFFFAOYSA-N 0 0 392.402 4.543 50 0 GJAARN COc1cccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2F)c1 ZINC000036247975 570561859 /nfs/dbraw/zinc/56/18/59/570561859.db2.gz VLSHHOXCWTXVSO-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(C)cc3)no2)cc1OC ZINC000036620354 570565750 /nfs/dbraw/zinc/56/57/50/570565750.db2.gz MREGGJXFGHYPEI-IBGZPJMESA-N 0 0 392.455 4.645 50 0 GJAARN COC(=O)c1ccccc1NC(=O)N[C@@H](C)c1c(C)c(C)sc1-n1cccc1 ZINC000006750412 570567743 /nfs/dbraw/zinc/56/77/43/570567743.db2.gz UCNXNKVGEZLNJQ-AWEZNQCLSA-N 0 0 397.500 4.825 50 0 GJAARN Cc1c(C(=O)N2CCC(C)CC2)oc2ccc3c(c12)[C@H](O)CC1(CCCC1)O3 ZINC000006751351 570569879 /nfs/dbraw/zinc/56/98/79/570569879.db2.gz CMJIUECJMOGEPQ-MRXNPFEDSA-N 0 0 383.488 4.742 50 0 biogenic GJAARN Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)C(C)C ZINC000032975849 570570297 /nfs/dbraw/zinc/57/02/97/570570297.db2.gz MWQDHRROEYNJMN-LJQANCHMSA-N 0 0 393.512 4.512 50 0 GJAARN CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)C)cc1 ZINC000006752961 570571930 /nfs/dbraw/zinc/57/19/30/570571930.db2.gz IPZCMXIEDAKPSC-QFIPXVFZSA-N 0 0 375.472 4.861 50 0 GJAARN Clc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)c(Cl)c1 ZINC000004327853 570572694 /nfs/dbraw/zinc/57/26/94/570572694.db2.gz GPPYZDUSLNURNX-UHFFFAOYSA-N 0 0 388.283 4.785 50 0 GJAARN COc1cccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)c1 ZINC000004328491 570572866 /nfs/dbraw/zinc/57/28/66/570572866.db2.gz UXFQKGDQPLVQRS-UHFFFAOYSA-N 0 0 391.905 4.745 50 0 GJAARN COc1ccc(CNC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000032985645 570573393 /nfs/dbraw/zinc/57/33/93/570573393.db2.gz HYAKDCQFTVIZHP-UHFFFAOYSA-N 0 0 398.462 4.606 50 0 GJAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NC3CCCC3)cc21 ZINC000032986691 570574212 /nfs/dbraw/zinc/57/42/12/570574212.db2.gz ZRHUYBNQMRRFQN-UHFFFAOYSA-N 0 0 390.483 4.982 50 0 GJAARN Cc1ccccc1CN1[C@H](c2ccccc2Cl)Nc2ccccc2S1(=O)=O ZINC000032986832 570574279 /nfs/dbraw/zinc/57/42/79/570574279.db2.gz YIGDUARLYHZDNC-OAQYLSRUSA-N 0 0 398.915 4.964 50 0 GJAARN CCCNC(=O)Nc1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000032996258 570578302 /nfs/dbraw/zinc/57/83/02/570578302.db2.gz GXXHXSYSKJHENB-UHFFFAOYSA-N 0 0 390.365 4.954 50 0 GJAARN Nc1c(Cl)ncnc1Oc1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1 ZINC000040428592 570578576 /nfs/dbraw/zinc/57/85/76/570578576.db2.gz XHYLCLHRZWBQDY-UHFFFAOYSA-N 0 0 399.788 4.635 50 0 GJAARN CSc1ccccc1C(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000062129344 570579341 /nfs/dbraw/zinc/57/93/41/570579341.db2.gz UIEPOPXLUUFVID-UHFFFAOYSA-N 0 0 391.540 4.824 50 0 GJAARN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(C)o1 ZINC000011754112 570581469 /nfs/dbraw/zinc/58/14/69/570581469.db2.gz WOYYRIXCAUNXGW-IBGZPJMESA-N 0 0 377.488 4.834 50 0 GJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2cccc(F)c2)cc1 ZINC000036247938 570581959 /nfs/dbraw/zinc/58/19/59/570581959.db2.gz IJUFPQYUNYMKQX-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2F)cc1 ZINC000036247934 570582004 /nfs/dbraw/zinc/58/20/04/570582004.db2.gz SHNUZYJHMRFTFB-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN CC[C@@H](C)N(Cc1c(-c2ccc(C)cc2)noc1N1CCCC1)C(=O)C1CC1 ZINC000036249057 570582655 /nfs/dbraw/zinc/58/26/55/570582655.db2.gz UAXLTFLKTKRPAG-QGZVFWFLSA-N 0 0 381.520 4.787 50 0 GJAARN CCOc1nc(-c2cccs2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000006775508 570584777 /nfs/dbraw/zinc/58/47/77/570584777.db2.gz ROOASAFVGDYPFJ-UHFFFAOYSA-N 0 0 396.497 4.708 50 0 GJAARN C[C@@H](NC(=O)CCNc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000006775271 570584968 /nfs/dbraw/zinc/58/49/68/570584968.db2.gz YDPHCLVSSMVMKN-GOSISDBHSA-N 0 0 396.494 4.976 50 0 GJAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1ccccc1C)c2-n1cccc1 ZINC000006780552 570586847 /nfs/dbraw/zinc/58/68/47/570586847.db2.gz FXCZPSMHUXPJII-UHFFFAOYSA-N 0 0 375.497 4.942 50 0 GJAARN C=C1C(Nc2ccc(C(C)=O)cc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006780392 570587066 /nfs/dbraw/zinc/58/70/66/570587066.db2.gz JCOCVOBEBSUPLF-UHFFFAOYSA-N 0 0 382.485 4.598 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)C2=CCCC2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000011842097 570587139 /nfs/dbraw/zinc/58/71/39/570587139.db2.gz UGLFEHGWEBYBJK-OAHLLOKOSA-N 0 0 394.437 4.773 50 0 GJAARN CN(CCOc1ccccc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000011844224 570588410 /nfs/dbraw/zinc/58/84/10/570588410.db2.gz DNMWBKOWEBFOTI-UHFFFAOYSA-N 0 0 399.494 4.761 50 0 GJAARN COc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)Cc3ccccc3C)o2)cc1 ZINC000225564069 570588382 /nfs/dbraw/zinc/58/83/82/570588382.db2.gz YUUUZKMJJNPEOR-SFHVURJKSA-N 0 0 392.499 4.681 50 0 GJAARN Cc1nn(-c2ccccc2)c(Cl)c1-c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000002124720 570589197 /nfs/dbraw/zinc/58/91/97/570589197.db2.gz YBKYEBHYTWLPND-UHFFFAOYSA-N 0 0 396.903 4.678 50 0 GJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000011879740 570591159 /nfs/dbraw/zinc/59/11/59/570591159.db2.gz JGBNNUIXGYXZRD-NRFANRHFSA-N 0 0 383.532 4.538 50 0 GJAARN COc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)cc1 ZINC000011914526 570592349 /nfs/dbraw/zinc/59/23/49/570592349.db2.gz GGHWDVXKZDWNFF-UHFFFAOYSA-N 0 0 399.903 4.992 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1 ZINC000006790274 570595966 /nfs/dbraw/zinc/59/59/66/570595966.db2.gz HLSPEGBRKBRYOZ-UHFFFAOYSA-N 0 0 398.507 4.779 50 0 GJAARN Cc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C3CCCCC3)n2)cc1 ZINC000005451751 570597381 /nfs/dbraw/zinc/59/73/81/570597381.db2.gz JTXDVPRYOCSUSN-UHFFFAOYSA-N 0 0 389.499 4.949 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003262190 570600332 /nfs/dbraw/zinc/60/03/32/570600332.db2.gz RMLPSZRZUDNVGS-UHFFFAOYSA-N 0 0 379.378 4.933 50 0 GJAARN O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@@H]12 ZINC000169681632 570602133 /nfs/dbraw/zinc/60/21/33/570602133.db2.gz VCQUXJSHRXOCGJ-QUCCMNQESA-N 0 0 388.433 4.553 50 0 GJAARN Cc1c(C)c(C(=O)NCc2ccc(F)cc2)n(Cc2ccc(F)cc2F)c1C ZINC000006801105 570603760 /nfs/dbraw/zinc/60/37/60/570603760.db2.gz VUIPJCXKRWVECX-UHFFFAOYSA-N 0 0 386.417 4.809 50 0 GJAARN CCN1CCSc2ccc(C(=O)Nc3ccc(Br)cc3F)cc21 ZINC000006802595 570604346 /nfs/dbraw/zinc/60/43/46/570604346.db2.gz PBBKQVLMCWFNEW-UHFFFAOYSA-N 0 0 395.297 4.773 50 0 GJAARN COCC[C@H]1CCCCN1Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 ZINC000012074152 570604475 /nfs/dbraw/zinc/60/44/75/570604475.db2.gz ITEZBGYXKNDSDK-HXUWFJFHSA-N 0 0 383.536 4.629 50 0 GJAARN Cc1ccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)cc1 ZINC000064949583 570604748 /nfs/dbraw/zinc/60/47/48/570604748.db2.gz RAQOTJJLDWUEMA-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000003370927 570604952 /nfs/dbraw/zinc/60/49/52/570604952.db2.gz CLIWMCWBMSBGIT-UHFFFAOYSA-N 0 0 375.424 4.891 50 0 GJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCc1ccc(Cl)cc1 ZINC000006807087 570607525 /nfs/dbraw/zinc/60/75/25/570607525.db2.gz NNVZOEXTSQBEBH-UHFFFAOYSA-N 0 0 390.874 4.555 50 0 GJAARN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012091843 570607714 /nfs/dbraw/zinc/60/77/14/570607714.db2.gz MSAQXYNLYYNVPJ-INIZCTEOSA-N 0 0 399.947 4.991 50 0 GJAARN COc1ccc(N(C)C(=O)c2cc3c(s2)-c2ccccc2OC3)c(OC)c1 ZINC000006804827 570608342 /nfs/dbraw/zinc/60/83/42/570608342.db2.gz KRMWJFKPOKYHGH-UHFFFAOYSA-N 0 0 381.453 4.601 50 0 GJAARN Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccsc2)c(C)c1 ZINC000005483384 570611327 /nfs/dbraw/zinc/61/13/27/570611327.db2.gz JJEZGKOZTQKTFV-OAQYLSRUSA-N 0 0 394.471 4.625 50 0 GJAARN COc1cccc(C(=O)Oc2cc3sc(=O)oc3c(-c3ccccc3)c2)c1 ZINC000006809638 570612037 /nfs/dbraw/zinc/61/20/37/570612037.db2.gz POBIQAXUDCUBMF-UHFFFAOYSA-N 0 0 378.405 4.749 50 0 GJAARN COc1ccccc1O[C@H](C)C(=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000006810584 570614475 /nfs/dbraw/zinc/61/44/75/570614475.db2.gz FLGSBHBDBWDHKH-MRXNPFEDSA-N 0 0 399.874 4.938 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3cc(=O)c4cc(C)cc(C)c4o3)sc2c1 ZINC000006811431 570616145 /nfs/dbraw/zinc/61/61/45/570616145.db2.gz RFCCDADMMSWJMG-UHFFFAOYSA-N 0 0 394.452 4.671 50 0 GJAARN Cc1ccc(Cn2c3c4ccccc4sc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000006817195 570618534 /nfs/dbraw/zinc/61/85/34/570618534.db2.gz HVPYPWDXHCZHKE-UHFFFAOYSA-N 0 0 398.487 4.724 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000012195459 570623266 /nfs/dbraw/zinc/62/32/66/570623266.db2.gz VHXQCBDSNBJIGN-VWNXMTODSA-N 0 0 386.451 4.946 50 0 GJAARN CSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004597408 570628648 /nfs/dbraw/zinc/62/86/48/570628648.db2.gz SGIBNZUHFWIYBS-UHFFFAOYSA-N 0 0 376.441 4.591 50 0 GJAARN O=C(N[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1)N1CCC2(CCC2)C1 ZINC000119368346 570628973 /nfs/dbraw/zinc/62/89/73/570628973.db2.gz VQUUIUWOXBDPCO-GOSISDBHSA-N 0 0 389.421 4.775 50 0 GJAARN COc1ccccc1CN1CCCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036347676 570630196 /nfs/dbraw/zinc/63/01/96/570630196.db2.gz MNAJRJQJUNQNFF-DEOSSOPVSA-N 0 0 392.499 4.509 50 0 GJAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2)C1CCCCC1 ZINC000064989664 570632240 /nfs/dbraw/zinc/63/22/40/570632240.db2.gz GOHDZFVSOVDGIZ-UHFFFAOYSA-N 0 0 396.918 4.739 50 0 GJAARN Cc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064989860 570632684 /nfs/dbraw/zinc/63/26/84/570632684.db2.gz VWJLXBBLFJYPQP-GOSISDBHSA-N 0 0 384.479 4.516 50 0 GJAARN CCc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000006837389 570638476 /nfs/dbraw/zinc/63/84/76/570638476.db2.gz CKRJNUAIHZDJBE-JOCHJYFZSA-N 0 0 392.480 4.873 50 0 GJAARN CCOC(=O)[C@H](C)Oc1c(=O)c2cc(C)c(C)cc2oc1-c1ccc(C)cc1 ZINC000005557079 570640077 /nfs/dbraw/zinc/64/00/77/570640077.db2.gz MBLHCRBGBMCZRT-INIZCTEOSA-N 0 0 380.440 4.716 50 0 GJAARN CC[C@@H](NC(=O)c1ccc2nc(-c3cccc(OC)c3)oc2c1)c1ccncc1 ZINC000012319494 570642467 /nfs/dbraw/zinc/64/24/67/570642467.db2.gz NLCKFPLFDHXTKA-LJQANCHMSA-N 0 0 387.439 4.780 50 0 GJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(OC(C)C)c2)cc1 ZINC000036360689 570643017 /nfs/dbraw/zinc/64/30/17/570643017.db2.gz UYXXLBSDKAIEMQ-LJQANCHMSA-N 0 0 377.444 4.792 50 0 GJAARN Clc1cccc(Cl)c1Cc1nnc2sc(/C=C/c3cccnc3)nn12 ZINC000036364974 570645068 /nfs/dbraw/zinc/64/50/68/570645068.db2.gz IMGRQWDGYAOZKV-VOTSOKGWSA-N 0 0 388.283 4.649 50 0 GJAARN CC(C)c1ccc(-n2nnnc2S[C@@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000006850244 570647589 /nfs/dbraw/zinc/64/75/89/570647589.db2.gz YIUMZXAETOGHHD-LBPRGKRZSA-N 0 0 398.517 4.751 50 0 GJAARN O=C(Nc1ccccn1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000045574005 570647697 /nfs/dbraw/zinc/64/76/97/570647697.db2.gz ANHVNSGWLRFYJP-UHFFFAOYSA-N 0 0 388.858 4.899 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)Nc3cc(C)ccc3C)cc2c1OC ZINC000065023014 570649355 /nfs/dbraw/zinc/64/93/55/570649355.db2.gz UCEIBJPEWHXAHU-UHFFFAOYSA-N 0 0 384.457 4.957 50 0 GJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC000065025467 570650264 /nfs/dbraw/zinc/65/02/64/570650264.db2.gz LQQLHBWITNZDOA-HSZRJFAPSA-N 0 0 398.510 4.551 50 0 GJAARN C[C@@H]1CCC[C@@H](N(Cc2ccco2)C(=O)NCc2noc3ccccc32)[C@@H]1C ZINC000006859999 570651969 /nfs/dbraw/zinc/65/19/69/570651969.db2.gz OHFHMGKFHLUNJS-JXXFODFXSA-N 0 0 381.476 4.957 50 0 GJAARN Cc1cc(C)cc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000065031462 570651983 /nfs/dbraw/zinc/65/19/83/570651983.db2.gz FZBVFCAADYJOIX-UHFFFAOYSA-N 0 0 383.451 4.931 50 0 GJAARN CC(=O)c1ccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000065031407 570652118 /nfs/dbraw/zinc/65/21/18/570652118.db2.gz ZTAOFAMKUXUDDU-UHFFFAOYSA-N 0 0 397.434 4.517 50 0 GJAARN CC[C@@H](Oc1ccccc1)c1nn2c(nnc2-c2ccc3ccccc3n2)s1 ZINC000012390374 570652210 /nfs/dbraw/zinc/65/22/10/570652210.db2.gz PWNGANWRGQUGHZ-GOSISDBHSA-N 0 0 387.468 4.931 50 0 GJAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000065031535 570652472 /nfs/dbraw/zinc/65/24/72/570652472.db2.gz GRJAMTKGNCZYJJ-MRXNPFEDSA-N 0 0 399.450 4.711 50 0 GJAARN C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)OC12CC3CC(CC(C3)C1)C2 ZINC000012401801 570652620 /nfs/dbraw/zinc/65/26/20/570652620.db2.gz PCXPQDVJYZHBPC-XXWNAHEMSA-N 0 0 381.438 4.809 50 0 GJAARN Cc1c(C)n(C(C)C)c(NC(=O)C(C)(C)C)c1S(=O)(=O)c1ccc(C)cc1 ZINC000012409406 570655773 /nfs/dbraw/zinc/65/57/73/570655773.db2.gz RSLWENHRBTWKEX-UHFFFAOYSA-N 0 0 390.549 4.812 50 0 GJAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3)C(=O)NC(C)(C)C)C2)cc1 ZINC000006870521 570658584 /nfs/dbraw/zinc/65/85/84/570658584.db2.gz KRWXHPCAYOEBHE-HXUWFJFHSA-N 0 0 397.494 4.637 50 0 GJAARN COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 ZINC000005577086 570659419 /nfs/dbraw/zinc/65/94/19/570659419.db2.gz DHAYBWULHPUJLS-HVSLCEISSA-N 0 0 384.476 4.776 50 0 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/nfs/dbraw/zinc/67/87/15/570678715.db2.gz XJRZJPZQFVGCKE-MRXNPFEDSA-N 0 0 395.503 4.735 50 0 GJAARN C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000033040054 570678650 /nfs/dbraw/zinc/67/86/50/570678650.db2.gz NNUOXGCUWVADRE-LLVKDONJSA-N 0 0 381.259 4.594 50 0 GJAARN Cn1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)n1 ZINC000012444374 570678851 /nfs/dbraw/zinc/67/88/51/570678851.db2.gz CWTRNPGMXNUOFE-UHFFFAOYSA-N 0 0 394.525 4.889 50 0 GJAARN COc1ccc(Cl)cc1C(=O)N1CCS[C@@H](c2ccccc2C)CC1 ZINC000219276080 570679094 /nfs/dbraw/zinc/67/90/94/570679094.db2.gz VXRSGYAJKFOJGG-LJQANCHMSA-N 0 0 375.921 4.977 50 0 GJAARN COc1ccc([C@H]2CCCN2Cc2ccccc2Br)cc1OC ZINC000036395396 570679261 /nfs/dbraw/zinc/67/92/61/570679261.db2.gz JVWHEMSUSMWEIA-QGZVFWFLSA-N 0 0 376.294 4.803 50 0 GJAARN CC(C)Cc1ccc(C(=O)C2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000036396172 570679562 /nfs/dbraw/zinc/67/95/62/570679562.db2.gz OPEDUIBBOPQTNV-UHFFFAOYSA-N 0 0 393.487 4.623 50 0 GJAARN CCc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 ZINC000005657416 570680120 /nfs/dbraw/zinc/68/01/20/570680120.db2.gz DVORNIXHVQSYJN-UHFFFAOYSA-N 0 0 387.439 4.778 50 0 GJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)c(C)c4)csc3n2)cc1 ZINC000065079292 570682441 /nfs/dbraw/zinc/68/24/41/570682441.db2.gz ADEHANLDLJSTKB-UHFFFAOYSA-N 0 0 391.496 4.869 50 0 GJAARN CC(C)CC1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000239386656 570683001 /nfs/dbraw/zinc/68/30/01/570683001.db2.gz PVUXWNDCPLTTRY-QUCCMNQESA-N 0 0 385.305 5.689 50 0 GJAARN Cc1ccc(CSc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 ZINC000008936271 570684361 /nfs/dbraw/zinc/68/43/61/570684361.db2.gz CLPUUCKIPWMOON-UHFFFAOYSA-N 0 0 386.517 4.742 50 0 GJAARN O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCc2sccc2C1 ZINC000012595471 570689311 /nfs/dbraw/zinc/68/93/11/570689311.db2.gz FMTFTXIKLYJMGH-LJQANCHMSA-N 0 0 391.492 4.584 50 0 GJAARN Cc1nc(C)c(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)s1 ZINC000012597573 570690198 /nfs/dbraw/zinc/69/01/98/570690198.db2.gz 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XAXJTOVVVJJWPR-UHFFFAOYSA-N 0 0 389.386 4.598 50 0 GJAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC000065005091 570757868 /nfs/dbraw/zinc/75/78/68/570757868.db2.gz OKEHYENWXRFFNF-CQSZACIVSA-N 0 0 375.384 4.613 50 0 GJAARN Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000007039216 570758002 /nfs/dbraw/zinc/75/80/02/570758002.db2.gz VAPPACXUXXSSSM-NRFANRHFSA-N 0 0 375.472 4.593 50 0 GJAARN O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccc(Cl)c1 ZINC000065257854 570758926 /nfs/dbraw/zinc/75/89/26/570758926.db2.gz UYKJIUPDWOOLDQ-UHFFFAOYSA-N 0 0 381.863 4.979 50 0 GJAARN O=C(c1cc(-c2ccc(F)cc2)nc2onc(-c3ccccc3)c21)N1CCCC1 ZINC000036618521 570759823 /nfs/dbraw/zinc/75/98/23/570759823.db2.gz VQJUFOXKVNLUDM-UHFFFAOYSA-N 0 0 387.414 4.932 50 0 GJAARN CCN1c2ccc(NC(=O)c3cccs3)cc2Sc2ncccc2C1=O ZINC000065258457 570760205 /nfs/dbraw/zinc/76/02/05/570760205.db2.gz ALUIPYNFJKPJBJ-UHFFFAOYSA-N 0 0 381.482 4.527 50 0 GJAARN COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)c1 ZINC000013581549 570760519 /nfs/dbraw/zinc/76/05/19/570760519.db2.gz IDWDNFSXVZFEKD-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN CC(C)N1c2ccc(NC(=O)c3ccsc3)cc2Sc2ncccc2C1=O ZINC000065258536 570760557 /nfs/dbraw/zinc/76/05/57/570760557.db2.gz QHGWZTXXUMUFFE-UHFFFAOYSA-N 0 0 395.509 4.915 50 0 GJAARN COCc1nc(C)c(Cn2cnc(-c3ccccc3)c2C[C@@H](C)SC)s1 ZINC000065386650 570763968 /nfs/dbraw/zinc/76/39/68/570763968.db2.gz PNOCOIWXVNSVJP-CQSZACIVSA-N 0 0 387.574 4.804 50 0 GJAARN Cc1nc(-c2c(-c3ccccc3)ncn2CCC(=O)Nc2cccc(C)c2)c[nH]1 ZINC000065500437 570771116 /nfs/dbraw/zinc/77/11/16/570771116.db2.gz OKBMIOZQYQFPBB-UHFFFAOYSA-N 0 0 385.471 4.586 50 0 GJAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 ZINC000009582576 570775730 /nfs/dbraw/zinc/77/57/30/570775730.db2.gz KUDFMPVPCFHMMZ-INIZCTEOSA-N 0 0 395.528 4.801 50 0 GJAARN Clc1ccc(C2=Nc3ncnn3[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000100834937 570776267 /nfs/dbraw/zinc/77/62/67/570776267.db2.gz YHSBPJJYYPNROD-MRXNPFEDSA-N 0 0 387.668 4.750 50 0 GJAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3)c3ccccc3n2)o1 ZINC000007062546 570781846 /nfs/dbraw/zinc/78/18/46/570781846.db2.gz QEMQKIJPNUUGBA-UHFFFAOYSA-N 0 0 386.407 4.599 50 0 GJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnn(-c3ccccc3)c2)cc1 ZINC000007087952 570784127 /nfs/dbraw/zinc/78/41/27/570784127.db2.gz WCSDOEVPVVVRDL-HSZRJFAPSA-N 0 0 396.450 4.652 50 0 GJAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3cc(C)ccc3C)cc2c1 ZINC000013750662 570785051 /nfs/dbraw/zinc/78/50/51/570785051.db2.gz KVNOFXCKEFMXCH-UHFFFAOYSA-N 0 0 386.451 4.893 50 0 GJAARN CCc1ccc(C(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000169754715 570785181 /nfs/dbraw/zinc/78/51/81/570785181.db2.gz HWAOVWFKVTUJEF-UHFFFAOYSA-N 0 0 393.462 4.533 50 0 GJAARN CCC(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 ZINC000015181338 570786913 /nfs/dbraw/zinc/78/69/13/570786913.db2.gz KGOCZKNMYCZJRC-UHFFFAOYSA-N 0 0 385.769 4.969 50 0 GJAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1csc(-c2cccs2)n1 ZINC000032744529 570787393 /nfs/dbraw/zinc/78/73/93/570787393.db2.gz BTDFUOKFFRRJKT-UHFFFAOYSA-N 0 0 378.906 4.676 50 0 GJAARN COc1ccc(-c2nc(COC(=O)Cc3c(F)cccc3Cl)cs2)cc1 ZINC000007107985 570791227 /nfs/dbraw/zinc/79/12/27/570791227.db2.gz PSMOAJZGNHAYMM-UHFFFAOYSA-N 0 0 391.851 4.897 50 0 GJAARN Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c(C)o1 ZINC000036691533 570791717 /nfs/dbraw/zinc/79/17/17/570791717.db2.gz UAJJNLXBDWFJFQ-UHFFFAOYSA-N 0 0 381.432 4.887 50 0 GJAARN O=C(c1ccccc1Br)N1CCS[C@H](c2cccs2)CC1 ZINC000219479469 570792372 /nfs/dbraw/zinc/79/23/72/570792372.db2.gz BZUMBYNRPFGTHY-HNNXBMFYSA-N 0 0 382.348 4.831 50 0 GJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000036703956 570792521 /nfs/dbraw/zinc/79/25/21/570792521.db2.gz WYHDVSHGHRSJAV-CYBMUJFWSA-N 0 0 395.528 4.994 50 0 GJAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)NCc3cccs3)ccc1O2 ZINC000036705416 570792898 /nfs/dbraw/zinc/79/28/98/570792898.db2.gz GUVUABPBTYMDLM-UHFFFAOYSA-N 0 0 379.441 4.736 50 0 GJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCOCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000005825714 570795302 /nfs/dbraw/zinc/79/53/02/570795302.db2.gz ZTGJBKINBJGLDZ-UHFFFAOYSA-N 0 0 399.494 4.979 50 0 biogenic GJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000032753903 570796531 /nfs/dbraw/zinc/79/65/31/570796531.db2.gz FGDQAWMOGYJOFH-UZLBHIALSA-N 0 0 379.456 4.824 50 0 GJAARN CCOC(=O)c1nc(NC(=O)Nc2ccccc2C(F)(F)F)sc1Cl ZINC000036709128 570797844 /nfs/dbraw/zinc/79/78/44/570797844.db2.gz DQHCUNXSQPHVSR-UHFFFAOYSA-N 0 0 393.774 4.636 50 0 GJAARN CCSc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](c2nc(C)no2)C1 ZINC000238820292 570799324 /nfs/dbraw/zinc/79/93/24/570799324.db2.gz CMJMCBROCRMITN-RBUKOAKNSA-N 0 0 393.512 4.513 50 0 GJAARN CCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000005891834 570801264 /nfs/dbraw/zinc/80/12/64/570801264.db2.gz UBQNUZRKAXYEEZ-UHFFFAOYSA-N 0 0 389.455 4.540 50 0 biogenic GJAARN CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000065331226 570801787 /nfs/dbraw/zinc/80/17/87/570801787.db2.gz ZIIHDDYTLRULDM-SFHVURJKSA-N 0 0 381.863 4.787 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000033078134 570804478 /nfs/dbraw/zinc/80/44/78/570804478.db2.gz GJNWZFTXZGBVBW-UHFFFAOYSA-N 0 0 387.487 4.690 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073232 570804523 /nfs/dbraw/zinc/80/45/23/570804523.db2.gz STLMMAHBLWWBND-UHFFFAOYSA-N 0 0 379.891 4.809 50 0 GJAARN O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000005936938 570805349 /nfs/dbraw/zinc/80/53/49/570805349.db2.gz JDILGZUVDRYTGM-UHFFFAOYSA-N 0 0 379.872 4.942 50 0 GJAARN COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000032772711 570805943 /nfs/dbraw/zinc/80/59/43/570805943.db2.gz UALUDGGYKSDHNY-GOSISDBHSA-N 0 0 382.485 4.681 50 0 GJAARN O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(CN2CCCC2)cs1 ZINC000032787434 570809992 /nfs/dbraw/zinc/80/99/92/570809992.db2.gz HCSRWVIDVQVYLU-UHFFFAOYSA-N 0 0 399.491 4.709 50 0 GJAARN CCOc1ccc(-c2noc(CSc3nnc(C4CCCCC4)o3)n2)cc1 ZINC000032778360 570811279 /nfs/dbraw/zinc/81/12/79/570811279.db2.gz OOYDFCPRYOKMSK-UHFFFAOYSA-N 0 0 386.477 4.858 50 0 GJAARN COc1cccc(-c2noc(CS[C@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000032779084 570812072 /nfs/dbraw/zinc/81/20/72/570812072.db2.gz OEXJNHLCOUEIRM-OAHLLOKOSA-N 0 0 397.500 4.622 50 0 GJAARN COc1ccc(OCC(=O)Nc2cccc(-c3ccc4ccccc4n3)c2)cc1 ZINC000033113803 570812424 /nfs/dbraw/zinc/81/24/24/570812424.db2.gz DXBYWGIGYBGFCF-UHFFFAOYSA-N 0 0 384.435 4.928 50 0 GJAARN COc1ccc(/C=C2/SC(=Nc3ccccc3)N(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000004664324 570812811 /nfs/dbraw/zinc/81/28/11/570812811.db2.gz ZPEWVCLBLXZORI-JEESXGFFSA-N 0 0 397.456 4.616 50 0 GJAARN CCCCN(C)c1ccc(C(=O)OC)cc1NC(=S)Nc1ccc(C)cc1 ZINC000004669077 570813250 /nfs/dbraw/zinc/81/32/50/570813250.db2.gz SAURCYCVGZEWSB-UHFFFAOYSA-N 0 0 385.533 4.827 50 0 GJAARN Cc1cc(C(=O)NCCC(C)C)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 ZINC000033128469 570817906 /nfs/dbraw/zinc/81/79/06/570817906.db2.gz OJELMUTUOGXBCV-UHFFFAOYSA-N 0 0 382.552 4.501 50 0 GJAARN O=C(Nc1ccccc1C(=O)NCCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000007247870 570819978 /nfs/dbraw/zinc/81/99/78/570819978.db2.gz AWVIPUUWDGBOHK-UHFFFAOYSA-N 0 0 396.849 4.704 50 0 GJAARN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)c(F)c1 ZINC000032801632 570820250 /nfs/dbraw/zinc/82/02/50/570820250.db2.gz LTGZMQSAXUNAJU-UHFFFAOYSA-N 0 0 386.473 4.883 50 0 GJAARN CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)c(F)c1 ZINC000032801641 570820254 /nfs/dbraw/zinc/82/02/54/570820254.db2.gz MFRFTBHZSZITNV-UHFFFAOYSA-N 0 0 397.475 4.562 50 0 GJAARN O=C(NC1CC1)[C@@H](Oc1ccc(Cl)cc1Br)c1ccc(F)cc1 ZINC000012475560 570821042 /nfs/dbraw/zinc/82/10/42/570821042.db2.gz WHTODDQOIXTFJY-INIZCTEOSA-N 0 0 398.659 4.640 50 0 GJAARN Cc1sc2nc(CN3CCCC3)nc(Nc3ccc4c[nH]nc4c3)c2c1C ZINC000012507211 570823039 /nfs/dbraw/zinc/82/30/39/570823039.db2.gz KJOGWIANSUFRAG-UHFFFAOYSA-N 0 0 378.505 4.524 50 0 GJAARN COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn32)cc1F ZINC000012507685 570823527 /nfs/dbraw/zinc/82/35/27/570823527.db2.gz BDWUUNYAMGTQTF-UHFFFAOYSA-N 0 0 389.430 4.639 50 0 GJAARN COc1ccc(OC)c(Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c1 ZINC000007307543 570828252 /nfs/dbraw/zinc/82/82/52/570828252.db2.gz NTNOCEVQXDPOIJ-UHFFFAOYSA-N 0 0 398.509 4.560 50 0 GJAARN CN(Cn1nc(-c2ccco2)n(C)c1=S)C(c1ccccc1)c1ccccc1 ZINC000014197743 570829127 /nfs/dbraw/zinc/82/91/27/570829127.db2.gz CHDLFRNWXRPDAC-UHFFFAOYSA-N 0 0 390.512 4.890 50 0 GJAARN C[C@H](NC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)c1cccc(Cl)c1 ZINC000065512919 570829320 /nfs/dbraw/zinc/82/93/20/570829320.db2.gz KUXHNVAXYDHVJN-AWEZNQCLSA-N 0 0 394.862 4.870 50 0 GJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 ZINC000012525547 570830654 /nfs/dbraw/zinc/83/06/54/570830654.db2.gz MNUPAGSEYPCIKA-IYBDPMFKSA-N 0 0 379.529 4.973 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1cccs1 ZINC000007362875 570833942 /nfs/dbraw/zinc/83/39/42/570833942.db2.gz OJMORDKMELMKPD-GDBMZVCRSA-N 0 0 385.558 4.714 50 0 GJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccco2)cc1 ZINC000239611778 570834651 /nfs/dbraw/zinc/83/46/51/570834651.db2.gz FENSELHAZQZNEG-UGKGYDQZSA-N 0 0 394.858 5.574 50 0 GJAARN CN(Cc1ccccc1Cl)C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000012536452 570836752 /nfs/dbraw/zinc/83/67/52/570836752.db2.gz LCGWHTRHCGPTOX-UHFFFAOYSA-N 0 0 375.856 4.600 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c3ccccc3[nH]c21 ZINC000033172363 570836739 /nfs/dbraw/zinc/83/67/39/570836739.db2.gz QFFZPKZWNQATOD-UHFFFAOYSA-N 0 0 382.876 4.804 50 0 GJAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)CC1=O ZINC000007398691 570836872 /nfs/dbraw/zinc/83/68/72/570836872.db2.gz NTUAZVSOGCTOPV-CVDCTZTESA-N 0 0 398.506 4.826 50 0 GJAARN CCc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)s1 ZINC000007392456 570836936 /nfs/dbraw/zinc/83/69/36/570836936.db2.gz TZYRHFZJHAALAI-UHFFFAOYSA-N 0 0 383.542 4.803 50 0 GJAARN CCc1cccc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c1 ZINC000033172627 570837149 /nfs/dbraw/zinc/83/71/49/570837149.db2.gz MSOYBTXEIIWTCL-UHFFFAOYSA-N 0 0 380.448 4.543 50 0 GJAARN Cc1ccc(C2=Nc3nc(NC(=O)C(C)C)nn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101835873 570837160 /nfs/dbraw/zinc/83/71/60/570837160.db2.gz UOMBLIXXJAZCPK-HXUWFJFHSA-N 0 0 387.487 4.545 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1 ZINC000033173467 570837493 /nfs/dbraw/zinc/83/74/93/570837493.db2.gz UWYXPBLEOQAEJF-UHFFFAOYSA-N 0 0 396.390 4.778 50 0 GJAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1c(Cl)cccc1Cl ZINC000003231782 570839947 /nfs/dbraw/zinc/83/99/47/570839947.db2.gz LEKUZWULHVCRAV-UHFFFAOYSA-N 0 0 392.160 4.808 50 0 GJAARN Cc1nnc(SC[C@H](O)c2ccccc2C(F)(F)F)n1-c1cccc(C)c1 ZINC000060522620 570840296 /nfs/dbraw/zinc/84/02/96/570840296.db2.gz LOZFEMDRYVKZAY-KRWDZBQOSA-N 0 0 393.434 4.729 50 0 GJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1 ZINC000102300635 570844391 /nfs/dbraw/zinc/84/43/91/570844391.db2.gz AXGGHIPMBIZEMF-UHFFFAOYSA-N 0 0 389.480 4.553 50 0 GJAARN O=C(Nc1nc(C(F)(F)F)cs1)c1ncc(Cl)c(Cl)c1Cl ZINC000032832686 570845567 /nfs/dbraw/zinc/84/55/67/570845567.db2.gz JAGMIIUATKNUQC-UHFFFAOYSA-N 0 0 376.574 4.769 50 0 GJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)cc1 ZINC000240122653 570847404 /nfs/dbraw/zinc/84/74/04/570847404.db2.gz WFFFIFOIKNIYGN-UNMCSNQZSA-N 0 0 376.481 5.389 50 0 GJAARN C[C@H](Sc1n[nH]c(-c2ccccc2)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007472802 570847426 /nfs/dbraw/zinc/84/74/26/570847426.db2.gz MXHSSXFWTXPJNN-NSHDSACASA-N 0 0 392.406 4.610 50 0 GJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCc2ccccc21 ZINC000007474091 570847986 /nfs/dbraw/zinc/84/79/86/570847986.db2.gz TVGZVSWROSMAOF-UHFFFAOYSA-N 0 0 382.467 4.882 50 0 GJAARN O=C(NC[C@H]1CCCc2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000043974797 570848927 /nfs/dbraw/zinc/84/89/27/570848927.db2.gz COPZCPSSNWLEJZ-QGZVFWFLSA-N 0 0 389.455 4.774 50 0 GJAARN C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1 ZINC000012547639 570849388 /nfs/dbraw/zinc/84/93/88/570849388.db2.gz SHPOZTPONDTYSZ-MRXNPFEDSA-N 0 0 390.512 4.682 50 0 GJAARN COc1nc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc2ccccc21 ZINC000170595904 570853268 /nfs/dbraw/zinc/85/32/68/570853268.db2.gz MDYIWKKPYXRDPO-UHFFFAOYSA-N 0 0 389.386 4.822 50 0 GJAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1ccccn1 ZINC000102623430 570854722 /nfs/dbraw/zinc/85/47/22/570854722.db2.gz GBUODSHDYJGEIU-IBGZPJMESA-N 0 0 387.443 4.819 50 0 GJAARN CCc1ccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1 ZINC000012552880 570855750 /nfs/dbraw/zinc/85/57/50/570855750.db2.gz FJDWKRVTYXRXQM-UHFFFAOYSA-N 0 0 395.768 4.654 50 0 GJAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1 ZINC000102703812 570857769 /nfs/dbraw/zinc/85/77/69/570857769.db2.gz SOZJITLHFNOERV-JTSKRJEESA-N 0 0 386.455 4.660 50 0 GJAARN COc1cc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)cc(OC)c1 ZINC000033254353 570858796 /nfs/dbraw/zinc/85/87/96/570858796.db2.gz JGIKSGHXYPHOSI-UHFFFAOYSA-N 0 0 393.443 4.664 50 0 GJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000014792842 570859743 /nfs/dbraw/zinc/85/97/43/570859743.db2.gz TZZCHNXXNNAGHH-QGZVFWFLSA-N 0 0 397.478 4.840 50 0 GJAARN O=C1CSC2=NC3=C(CCCC3=C3SCCS3)[C@H](c3ccccc3)N12 ZINC000003351233 570860382 /nfs/dbraw/zinc/86/03/82/570860382.db2.gz BAALYWWNHUNZQD-KRWDZBQOSA-N 0 0 386.567 4.802 50 0 GJAARN CCc1ccc2c(CC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)coc2c1 ZINC000014802615 570860669 /nfs/dbraw/zinc/86/06/69/570860669.db2.gz QFLTVYFUMZSMCO-UHFFFAOYSA-N 0 0 396.874 4.957 50 0 GJAARN C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012558908 570860756 /nfs/dbraw/zinc/86/07/56/570860756.db2.gz PCIFFHOGNFAKGL-OAHLLOKOSA-N 0 0 389.446 4.717 50 0 GJAARN COc1cc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)cc2)cc(OC)c1 ZINC000033252569 570860974 /nfs/dbraw/zinc/86/09/74/570860974.db2.gz MOYPVKOKCSGUED-UHFFFAOYSA-N 0 0 392.434 4.937 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000012559509 570861281 /nfs/dbraw/zinc/86/12/81/570861281.db2.gz WOOSZYHREZDVSX-SFHVURJKSA-N 0 0 397.837 4.787 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000012559606 570861562 /nfs/dbraw/zinc/86/15/62/570861562.db2.gz CLBCQMFIVNQGSS-MRXNPFEDSA-N 0 0 393.249 4.777 50 0 GJAARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1 ZINC000102751071 570861620 /nfs/dbraw/zinc/86/16/20/570861620.db2.gz XSMSXGUNDRTNOU-SGTLLEGYSA-N 0 0 394.456 4.769 50 0 GJAARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000012559806 570861808 /nfs/dbraw/zinc/86/18/08/570861808.db2.gz QVMICRZWIIUGCG-OAHLLOKOSA-N 0 0 387.911 4.778 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccs3)C2)cc1 ZINC000102751894 570861833 /nfs/dbraw/zinc/86/18/33/570861833.db2.gz JHSVPQOMIMATBU-XIKOKIGWSA-N 0 0 394.456 4.769 50 0 GJAARN Cc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 ZINC000007516084 570862279 /nfs/dbraw/zinc/86/22/79/570862279.db2.gz STAAMWFLACCLPX-HXUWFJFHSA-N 0 0 377.513 4.982 50 0 GJAARN COc1ccc(/C=C/c2nc(-c3ccc(Br)cc3)no2)cc1OC ZINC000004723552 570862424 /nfs/dbraw/zinc/86/24/24/570862424.db2.gz KLCUTOZYHIGEMB-ONNFQVAWSA-N 0 0 387.233 4.687 50 0 GJAARN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000170603731 570862841 /nfs/dbraw/zinc/86/28/41/570862841.db2.gz YRBKZQFNGXPTPX-FPOVZHCZSA-N 0 0 393.449 4.912 50 0 GJAARN Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCCCC2)cc1 ZINC000044086419 570863444 /nfs/dbraw/zinc/86/34/44/570863444.db2.gz LZDXRGGTXURVDQ-UHFFFAOYSA-N 0 0 391.540 4.952 50 0 GJAARN Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 ZINC000102829006 570866398 /nfs/dbraw/zinc/86/63/98/570866398.db2.gz PZVFKUIUSYFCLE-FPOVZHCZSA-N 0 0 377.831 4.683 50 0 GJAARN Cc1nc([C@H]2CCCN2C(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1 ZINC000170610879 570867285 /nfs/dbraw/zinc/86/72/85/570867285.db2.gz VGRMHOWIOHAGFC-OAHLLOKOSA-N 0 0 387.505 4.776 50 0 GJAARN CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1cccc(F)c1 ZINC000013956266 570867730 /nfs/dbraw/zinc/86/77/30/570867730.db2.gz YEDFLLNJJGWJLF-UHFFFAOYSA-N 0 0 394.475 4.571 50 0 GJAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000015016074 570871716 /nfs/dbraw/zinc/87/17/16/570871716.db2.gz GDHYHXISVVXYFL-IIBYNOLFSA-N 0 0 376.437 4.719 50 0 GJAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1ccco1)Cc1cccs1 ZINC000024460357 570872381 /nfs/dbraw/zinc/87/23/81/570872381.db2.gz WKZIWHOSDYULQQ-UHFFFAOYSA-N 0 0 399.855 4.944 50 0 GJAARN C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012569636 570873477 /nfs/dbraw/zinc/87/34/77/570873477.db2.gz IXCBGRYXXVNNDG-QGZVFWFLSA-N 0 0 383.561 4.686 50 0 GJAARN CC(C)CC[C@@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccoc1 ZINC000170615983 570874773 /nfs/dbraw/zinc/87/47/73/570874773.db2.gz CXVCQYWFVISCJS-LJQANCHMSA-N 0 0 392.565 4.624 50 0 GJAARN Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000012574950 570875343 /nfs/dbraw/zinc/87/53/43/570875343.db2.gz QBRYHSSSJLZRGH-KRWDZBQOSA-N 0 0 397.837 4.787 50 0 GJAARN CCCn1cc(SCC(=O)Nc2nnc(SCC)s2)c2ccccc21 ZINC000003581971 570876889 /nfs/dbraw/zinc/87/68/89/570876889.db2.gz SPHPKGKMZXDFKJ-UHFFFAOYSA-N 0 0 392.575 4.746 50 0 GJAARN O=C([C@H]1Cc2ccccc2S1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000032878869 570879824 /nfs/dbraw/zinc/87/98/24/570879824.db2.gz URRBRWCWKUUXII-HNAYVOBHSA-N 0 0 396.537 4.525 50 0 GJAARN COc1ccc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c(OC)c1 ZINC000012583626 570880331 /nfs/dbraw/zinc/88/03/31/570880331.db2.gz QHTXDQWRVGEGMI-UHFFFAOYSA-N 0 0 396.440 4.881 50 0 GJAARN Cc1ccc(NC(=O)c2cccc([C@H]3CCCN(C(=O)NC(C)C)C3)c2)c(F)c1 ZINC000033264314 570882485 /nfs/dbraw/zinc/88/24/85/570882485.db2.gz ZKESSLBADJWWGB-IBGZPJMESA-N 0 0 397.494 4.684 50 0 GJAARN CC(=O)N(c1nc(CN2CCc3sccc3C2)cs1)c1ccccc1F ZINC000032879829 570882927 /nfs/dbraw/zinc/88/29/27/570882927.db2.gz FBDLFACZYAFCQT-UHFFFAOYSA-N 0 0 387.505 4.587 50 0 GJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000004556829 570882948 /nfs/dbraw/zinc/88/29/48/570882948.db2.gz RQZAXGRLVPAYTJ-CNILUYSSSA-N 0 0 384.516 4.575 50 0 GJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCC3=CCCCC3)c2)C1 ZINC000033264285 570883235 /nfs/dbraw/zinc/88/32/35/570883235.db2.gz TWFNWIIAGSNOBC-JOCHJYFZSA-N 0 0 397.563 4.604 50 0 GJAARN CCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000012588744 570883359 /nfs/dbraw/zinc/88/33/59/570883359.db2.gz LOGIXRGZWPICRQ-UHFFFAOYSA-N 0 0 377.444 4.630 50 0 GJAARN COC(=O)c1ccc(N(C(=O)c2cc3ccccc3nc2C)C(C)C)c(C)c1 ZINC000170630276 570884174 /nfs/dbraw/zinc/88/41/74/570884174.db2.gz BMSKPFKSQQIUBY-UHFFFAOYSA-N 0 0 376.456 4.693 50 0 GJAARN Cc1nc2cc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)ccc2n1-c1ccccc1 ZINC000012596087 570884493 /nfs/dbraw/zinc/88/44/93/570884493.db2.gz IVCDMFOTNBLHFC-QFIPXVFZSA-N 0 0 397.434 4.574 50 0 GJAARN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000170629073 570884513 /nfs/dbraw/zinc/88/45/13/570884513.db2.gz FIJOJDKKZICKQI-RHSMWYFYSA-N 0 0 397.425 4.598 50 0 GJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000012599749 570886277 /nfs/dbraw/zinc/88/62/77/570886277.db2.gz BEUSSTFODAWOHX-PHIMTYICSA-N 0 0 383.872 4.640 50 0 GJAARN CCOC(=O)c1cc([C@@H](C)CC(C)(C)C)sc1NC(=O)CCCC(=O)OC ZINC000022329600 570886411 /nfs/dbraw/zinc/88/64/11/570886411.db2.gz SUVWQRURQXKLPX-ZDUSSCGKSA-N 0 0 397.537 4.746 50 0 GJAARN Cc1nc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n(C2CC2)c1C ZINC000032894116 570890976 /nfs/dbraw/zinc/89/09/76/570890976.db2.gz QRNQNXCVKMFJLG-BZSISCHUSA-N 0 0 387.593 4.648 50 0 GJAARN CCOc1ccc(NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1 ZINC000012619204 570891411 /nfs/dbraw/zinc/89/14/11/570891411.db2.gz VMFSJTMLRGRZJE-UHFFFAOYSA-N 0 0 382.485 4.789 50 0 GJAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000012617352 570891418 /nfs/dbraw/zinc/89/14/18/570891418.db2.gz VFNBTGWCOBECDM-LLBVYWAGSA-N 0 0 389.495 4.793 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Br)o2)cs1 ZINC000012619523 570891851 /nfs/dbraw/zinc/89/18/51/570891851.db2.gz MJRWENYXOZYWTL-UHFFFAOYSA-N 0 0 395.253 4.543 50 0 GJAARN Cn1c(CCNC(=O)c2cc3cn(C4CCCC4)cc3s2)nc2ccccc21 ZINC000097096171 570891962 /nfs/dbraw/zinc/89/19/62/570891962.db2.gz MDSKDACIKJLGFJ-UHFFFAOYSA-N 0 0 392.528 4.677 50 0 GJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCOc2ccccc21 ZINC000014780397 570894817 /nfs/dbraw/zinc/89/48/17/570894817.db2.gz BLPJAAWSTDHHFO-QGZVFWFLSA-N 0 0 382.847 4.568 50 0 GJAARN CC(C)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000013324948 570895002 /nfs/dbraw/zinc/89/50/02/570895002.db2.gz ICCVKHRTFWWORN-UHFFFAOYSA-N 0 0 377.941 4.875 50 0 GJAARN CC(=O)N1c2nc(-c3ccc(F)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013375893 570896408 /nfs/dbraw/zinc/89/64/08/570896408.db2.gz RYVBTWZGDKWPSK-MOPGFXCFSA-N 0 0 382.483 4.669 50 0 biogenic GJAARN COCC(=O)NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000032901212 570896784 /nfs/dbraw/zinc/89/67/84/570896784.db2.gz GIUMJQBTPGOOPY-OAQYLSRUSA-N 0 0 384.479 4.729 50 0 GJAARN CSc1cccc(NC(=O)N2C[C@H](C)[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000097122684 570897419 /nfs/dbraw/zinc/89/74/19/570897419.db2.gz PCDXXZVMJLDXRO-KSSFIOAISA-N 0 0 394.500 4.726 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000015615054 570899157 /nfs/dbraw/zinc/89/91/57/570899157.db2.gz VVYPHSCJPGDZTG-UHFFFAOYSA-N 0 0 395.459 4.637 50 0 GJAARN O=C(CCc1nc2ccccc2s1)OCc1nc2ccccc2n1C(F)F ZINC000014815443 570902527 /nfs/dbraw/zinc/90/25/27/570902527.db2.gz SDESPJIJNLRDTC-UHFFFAOYSA-N 0 0 387.411 4.717 50 0 GJAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)NCc2ccco2)cc1 ZINC000015724777 570902836 /nfs/dbraw/zinc/90/28/36/570902836.db2.gz XOFQYPHKRNZXPH-QHCPKHFHSA-N 0 0 385.467 4.927 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000011247522 570904040 /nfs/dbraw/zinc/90/40/40/570904040.db2.gz BJPVDITZQZWHTE-UHFFFAOYSA-N 0 0 391.402 4.907 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000015829570 570905889 /nfs/dbraw/zinc/90/58/89/570905889.db2.gz PSDBAALUCUVZJG-OAQYLSRUSA-N 0 0 397.515 4.744 50 0 GJAARN C[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000014609412 570906290 /nfs/dbraw/zinc/90/62/90/570906290.db2.gz ITDBBOIXBVMVFG-OAHLLOKOSA-N 0 0 380.879 4.602 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)c(OC)c1 ZINC000104870520 570906330 /nfs/dbraw/zinc/90/63/30/570906330.db2.gz PGSVYBCZVHIZRM-AVYPCKFXSA-N 0 0 381.472 4.566 50 0 GJAARN COc1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C=C4C)cc1 ZINC000575472982 570906655 /nfs/dbraw/zinc/90/66/55/570906655.db2.gz MVBXWJUQWVXJJN-UHFFFAOYSA-N 0 0 389.451 4.664 50 0 GJAARN CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCC2)cc1 ZINC000023109708 570906761 /nfs/dbraw/zinc/90/67/61/570906761.db2.gz LJRODSAMQBLGKN-UHFFFAOYSA-N 0 0 380.513 4.539 50 0 GJAARN C[C@@H](NC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)s1)c1ccccc1 ZINC000015906267 570908437 /nfs/dbraw/zinc/90/84/37/570908437.db2.gz FBLUSQJTSIPKSV-IYBDPMFKSA-N 0 0 378.497 4.730 50 0 GJAARN CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000015940972 570909854 /nfs/dbraw/zinc/90/98/54/570909854.db2.gz RLJRRMKQDDHJTP-NRFANRHFSA-N 0 0 392.886 4.864 50 0 GJAARN Brc1ccc(C2(NCc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000089783036 570913047 /nfs/dbraw/zinc/91/30/47/570913047.db2.gz VUSQMVBNKYWSDM-HNNXBMFYSA-N 0 0 379.323 4.536 50 0 GJAARN C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 ZINC000016576670 570913911 /nfs/dbraw/zinc/91/39/11/570913911.db2.gz VOAHIOBULFQAOI-XUXNNNHQSA-N 0 0 377.326 4.778 50 0 GJAARN COC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000005736366 570914399 /nfs/dbraw/zinc/91/43/99/570914399.db2.gz XMRGTBGVYGIVHE-CYBMUJFWSA-N 0 0 387.892 4.550 50 0 GJAARN Fc1cccc([C@H](NCc2cncs2)c2cccc(Br)c2)c1 ZINC000097019031 570914418 /nfs/dbraw/zinc/91/44/18/570914418.db2.gz LZNBKIMBMFGOBJ-QGZVFWFLSA-N 0 0 377.282 4.924 50 0 GJAARN CC[C@H](NC(=O)c1ccc(-c2cc(C)c(C)[nH]c2=O)cc1)c1ccc(C)cn1 ZINC000534653890 570915012 /nfs/dbraw/zinc/91/50/12/570915012.db2.gz SXWBICOKLPUBGB-FQEVSTJZSA-N 0 0 375.472 4.656 50 0 GJAARN Cc1cc2sc(N(CCn3cccn3)C(=O)c3cccc(F)c3)nc2c(C)c1 ZINC000023144818 570919424 /nfs/dbraw/zinc/91/94/24/570919424.db2.gz HOHYDULSEBAKSH-UHFFFAOYSA-N 0 0 394.475 4.596 50 0 GJAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012033 570923843 /nfs/dbraw/zinc/92/38/43/570923843.db2.gz IAFRFZBZQDGYOF-UHFFFAOYSA-N 0 0 398.488 4.686 50 0 GJAARN CCn1cc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cccc23)cn1 ZINC000006490310 570925823 /nfs/dbraw/zinc/92/58/23/570925823.db2.gz SWBGXISJLHBTAN-UHFFFAOYSA-N 0 0 384.483 4.665 50 0 GJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1cccnc1 ZINC000004054586 570926040 /nfs/dbraw/zinc/92/60/40/570926040.db2.gz DWNKLNNIALBMHH-UHFFFAOYSA-N 0 0 376.243 4.624 50 0 GJAARN CC[C@@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1 ZINC000004062235 570927653 /nfs/dbraw/zinc/92/76/53/570927653.db2.gz WRQQONOQAKKASU-CQSZACIVSA-N 0 0 396.541 4.583 50 0 GJAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccc(Cl)c1 ZINC000004070355 570928476 /nfs/dbraw/zinc/92/84/76/570928476.db2.gz ZJMCGIUGUKZPON-UHFFFAOYSA-N 0 0 394.681 4.873 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc(C(C)(C)C)on1 ZINC000016605088 570928782 /nfs/dbraw/zinc/92/87/82/570928782.db2.gz LSWVZEGCAUKHNS-UHFFFAOYSA-N 0 0 377.803 4.980 50 0 GJAARN CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016741937 570932583 /nfs/dbraw/zinc/93/25/83/570932583.db2.gz DVXVHXSZYJKZAK-OAQYLSRUSA-N 0 0 382.419 4.500 50 0 GJAARN CC(CNC(=O)CCn1cnc2ccccc21)(c1ccccc1)c1ccccc1 ZINC000012638279 570932652 /nfs/dbraw/zinc/93/26/52/570932652.db2.gz YATBOSHSPZPGJE-UHFFFAOYSA-N 0 0 383.495 4.549 50 0 GJAARN COP(=O)(OC)c1nc(-c2ccccc2)oc1NCc1ccccc1Cl ZINC000016750832 570932722 /nfs/dbraw/zinc/93/27/22/570932722.db2.gz NPRDBMCDZJSPAB-UHFFFAOYSA-N 0 0 392.779 4.718 50 0 GJAARN O=C(NC1CCCC1)OCc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O ZINC000002871442 570933779 /nfs/dbraw/zinc/93/37/79/570933779.db2.gz CWGUNFIMNSATGO-UHFFFAOYSA-N 0 0 381.403 4.768 50 0 GJAARN O=C(OC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000032922277 570934059 /nfs/dbraw/zinc/93/40/59/570934059.db2.gz RLEGRJQRXDGTEX-CQSZACIVSA-N 0 0 392.282 4.703 50 0 GJAARN C[C@H](Sc1nccn1C1CC1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000012647186 570934303 /nfs/dbraw/zinc/93/43/03/570934303.db2.gz AUULDIDAVBKKGE-ZDUSSCGKSA-N 0 0 376.551 4.521 50 0 GJAARN COc1ccccc1-c1nn(CN(C)Cc2nc3ccccc3s2)c(=S)o1 ZINC000016848136 570934322 /nfs/dbraw/zinc/93/43/22/570934322.db2.gz MHYWQQQEHQMHHY-UHFFFAOYSA-N 0 0 398.513 4.580 50 0 GJAARN O=C(NC1CCCCCC1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016884357 570934435 /nfs/dbraw/zinc/93/44/35/570934435.db2.gz IWDNFIASZGCQHJ-UHFFFAOYSA-N 0 0 378.516 4.531 50 0 GJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1ccccc1Cl ZINC000046913568 570936023 /nfs/dbraw/zinc/93/60/23/570936023.db2.gz PJFWWPCRQBXCCL-UHFFFAOYSA-N 0 0 391.862 4.573 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c1 ZINC000017077825 570939500 /nfs/dbraw/zinc/93/95/00/570939500.db2.gz KIMMMCNTMIUJAW-UHFFFAOYSA-N 0 0 380.517 4.645 50 0 GJAARN Cc1cccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c1 ZINC000002092501 570940522 /nfs/dbraw/zinc/94/05/22/570940522.db2.gz MMUCCQFFHLXQKD-UHFFFAOYSA-N 0 0 385.419 4.786 50 0 biogenic GJAARN Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c12 ZINC000017080266 570940890 /nfs/dbraw/zinc/94/08/90/570940890.db2.gz DWLDJEFRDXIUSE-UHFFFAOYSA-N 0 0 392.547 4.897 50 0 GJAARN Cc1cc2c([nH]c(=S)n(-c3ccn(C45CC6CC(CC(C6)C4)C5)n3)c2=O)s1 ZINC000017081580 570941237 /nfs/dbraw/zinc/94/12/37/570941237.db2.gz SPUNFGZFTBHOHJ-UHFFFAOYSA-N 0 0 398.557 4.540 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cccc(C)c1)CC(=O)N2 ZINC000033271460 570947231 /nfs/dbraw/zinc/94/72/31/570947231.db2.gz YYFQEXSBFKLDPC-INIZCTEOSA-N 0 0 388.496 4.881 50 0 GJAARN COc1ccc(-n2c3ccccc3nc2SCc2cn3ccccc3n2)cc1 ZINC000012655178 570947216 /nfs/dbraw/zinc/94/72/16/570947216.db2.gz YMXFYVZIPDTUDW-UHFFFAOYSA-N 0 0 386.480 4.974 50 0 GJAARN Clc1ccc2nc(CSc3nnc(NC4CCCCC4)s3)cn2c1 ZINC000012659293 570947375 /nfs/dbraw/zinc/94/73/75/570947375.db2.gz HHGBOXOYVKHNMX-UHFFFAOYSA-N 0 0 379.942 4.876 50 0 GJAARN Nc1c(C(=O)NCc2ccco2)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000012660657 570947663 /nfs/dbraw/zinc/94/76/63/570947663.db2.gz FCQPDOUPGHXEMC-UHFFFAOYSA-N 0 0 393.468 4.540 50 0 GJAARN O=C1C[C@@H](c2csc([C@H]3CC(=O)OC34CCCCC4)n2)C2(CCCCC2)O1 ZINC000002105699 570948163 /nfs/dbraw/zinc/94/81/63/570948163.db2.gz ZLYUWLDLNQGNQB-LSDHHAIUSA-N 0 0 389.517 4.610 50 0 biogenic GJAARN Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2[nH]cnn21 ZINC000004734381 570948670 /nfs/dbraw/zinc/94/86/70/570948670.db2.gz YBGLXTZPZACUGH-UHFFFAOYSA-N 0 0 398.264 4.553 50 0 GJAARN Cc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000033326015 570949660 /nfs/dbraw/zinc/94/96/60/570949660.db2.gz MUJPZGBJOCDXMN-SFHVURJKSA-N 0 0 393.512 4.687 50 0 GJAARN CCCCCOc1cccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)c1 ZINC000002109087 570949866 /nfs/dbraw/zinc/94/98/66/570949866.db2.gz UVRAHFZNMLZKNC-LECGRMGRSA-N 0 0 390.527 4.893 50 0 biogenic GJAARN CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001248654 570950243 /nfs/dbraw/zinc/95/02/43/570950243.db2.gz VJMRAHHHXOOKSA-OAHLLOKOSA-N 0 0 386.542 4.575 50 0 GJAARN O=C1N2CCCN2[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1 ZINC000001253396 570950283 /nfs/dbraw/zinc/95/02/83/570950283.db2.gz DYNNNGDDZMNSKN-MRXNPFEDSA-N 0 0 392.684 4.664 50 0 GJAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000002111129 570950299 /nfs/dbraw/zinc/95/02/99/570950299.db2.gz XTDFZWAMNOPUHV-KVACCUTFSA-N 0 0 390.527 4.893 50 0 biogenic GJAARN O=C(c1cccc(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000018247485 570952174 /nfs/dbraw/zinc/95/21/74/570952174.db2.gz WLHWOEPDMHMNLY-UHFFFAOYSA-N 0 0 386.282 4.504 50 0 GJAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(Br)c1)CO3 ZINC000002119829 570953777 /nfs/dbraw/zinc/95/37/77/570953777.db2.gz VGHKIXQKOFTUBS-UHFFFAOYSA-N 0 0 386.245 4.529 50 0 biogenic GJAARN Clc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)cc1 ZINC000263616301 570954249 /nfs/dbraw/zinc/95/42/49/570954249.db2.gz HYZANZFTTLNMKX-QGZVFWFLSA-N 0 0 378.819 4.525 50 0 GJAARN Cc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(F)cc3)OC4)n2)cc1C ZINC000263619072 570955016 /nfs/dbraw/zinc/95/50/16/570955016.db2.gz WTCDCWXYQVLESC-FQEVSTJZSA-N 0 0 390.418 4.628 50 0 GJAARN Fc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263619404 570955116 /nfs/dbraw/zinc/95/51/16/570955116.db2.gz YOEOBWWEZWKAQH-GOSISDBHSA-N 0 0 396.809 4.664 50 0 GJAARN CC(C)(C)c1ccc(OC(=O)[C@]2(C)CC2(Br)Br)cc1 ZINC000004740705 570955475 /nfs/dbraw/zinc/95/54/75/570955475.db2.gz HSQRKRYIGUCSBO-AWEZNQCLSA-N 0 0 390.115 4.786 50 0 GJAARN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000004741116 570955624 /nfs/dbraw/zinc/95/56/24/570955624.db2.gz DMLGALDRQNWICS-UHFFFAOYSA-N 0 0 394.446 4.772 50 0 GJAARN Cc1ccc(F)cc1NC(=O)CSc1nccnc1Sc1ccccc1 ZINC000033288848 570956155 /nfs/dbraw/zinc/95/61/55/570956155.db2.gz WDHFVMJEJFQOQT-UHFFFAOYSA-N 0 0 385.489 4.806 50 0 GJAARN COc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000012022960 570956181 /nfs/dbraw/zinc/95/61/81/570956181.db2.gz SBEZPLKQYYQNMG-UHFFFAOYSA-N 0 0 397.478 4.537 50 0 GJAARN CC(=O)c1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)cc1 ZINC000001333009 570959172 /nfs/dbraw/zinc/95/91/72/570959172.db2.gz GHQIJADLPQPLPL-UHFFFAOYSA-N 0 0 385.514 4.550 50 0 GJAARN CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)N3CCSCC3)c2c1 ZINC000032103839 570960492 /nfs/dbraw/zinc/96/04/92/570960492.db2.gz SMPYWWFKRGOHOI-UHFFFAOYSA-N 0 0 377.513 4.609 50 0 GJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)cc1 ZINC000033289959 570960893 /nfs/dbraw/zinc/96/08/93/570960893.db2.gz RFXRMFJVJIJJJP-UHFFFAOYSA-N 0 0 394.543 4.688 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CCCCC2 ZINC000004134791 570962016 /nfs/dbraw/zinc/96/20/16/570962016.db2.gz BKGQRMLIXFYTGE-UHFFFAOYSA-N 0 0 387.501 4.845 50 0 GJAARN Clc1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000033298193 570962057 /nfs/dbraw/zinc/96/20/57/570962057.db2.gz NDMJFYRZYBDENS-UHFFFAOYSA-N 0 0 397.843 4.833 50 0 GJAARN Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)c1C(=O)N1CCCC1 ZINC000047519833 570962330 /nfs/dbraw/zinc/96/23/30/570962330.db2.gz MYWWCZOJLUWXRI-HXUWFJFHSA-N 0 0 383.536 4.808 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000033298823 570962429 /nfs/dbraw/zinc/96/24/29/570962429.db2.gz SZELPTNTEGKMQP-UHFFFAOYSA-N 0 0 384.935 4.614 50 0 GJAARN COc1ccc(-c2csc(-n3nc(C(F)(F)F)c4c3CCCC4)n2)cc1 ZINC000025185993 570962491 /nfs/dbraw/zinc/96/24/91/570962491.db2.gz MPBMYVIDUIDQBH-UHFFFAOYSA-N 0 0 379.407 4.902 50 0 GJAARN CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccs3)nc21 ZINC000007599741 570965251 /nfs/dbraw/zinc/96/52/51/570965251.db2.gz JOXONONBTZSSFV-LBPRGKRZSA-N 0 0 390.555 4.906 50 0 GJAARN CCc1ccc([C@@H]2C[C@H](C)CCN2c2cc(C)nc3nc(C(F)(F)F)nn32)o1 ZINC000083825422 570966850 /nfs/dbraw/zinc/96/68/50/570966850.db2.gz YYSFDVBAEGICJS-RISCZKNCSA-N 0 0 393.413 4.585 50 0 GJAARN COc1cc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)nc(C)n1 ZINC000012225279 570967788 /nfs/dbraw/zinc/96/77/88/570967788.db2.gz CEDHYMNCRSMGIV-UHFFFAOYSA-N 0 0 384.439 4.943 50 0 GJAARN O=C(Cc1cccs1)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000033308252 570968274 /nfs/dbraw/zinc/96/82/74/570968274.db2.gz VOWTYKRWMKSCDT-UHFFFAOYSA-N 0 0 391.452 4.558 50 0 GJAARN O=C(/C=C/c1ccco1)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000033308270 570968337 /nfs/dbraw/zinc/96/83/37/570968337.db2.gz VQKWGIDKFJQWRT-OUKQBFOZSA-N 0 0 387.395 4.561 50 0 GJAARN C[C@@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@@H]1c1ccccc1 ZINC000170643663 570968605 /nfs/dbraw/zinc/96/86/05/570968605.db2.gz UAMDNSIJCZJCRZ-WBMJQRKESA-N 0 0 387.361 4.589 50 0 GJAARN Cc1c(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)c2ccccc2n1C ZINC000002147516 570971644 /nfs/dbraw/zinc/97/16/44/570971644.db2.gz DHXDWRLQAIODFK-UHFFFAOYSA-N 0 0 389.451 4.780 50 0 biogenic GJAARN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)Nc1ccccc1C(C)C ZINC000033312517 570971932 /nfs/dbraw/zinc/97/19/32/570971932.db2.gz BUBSLADUQYNSKY-UHFFFAOYSA-N 0 0 380.517 4.976 50 0 GJAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000012730271 570973330 /nfs/dbraw/zinc/97/33/30/570973330.db2.gz CCUSHGWZJNEFKI-UHFFFAOYSA-N 0 0 397.525 4.705 50 0 GJAARN C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381809 570974194 /nfs/dbraw/zinc/97/41/94/570974194.db2.gz IRNQMPMVWMZBIK-INIZCTEOSA-N 0 0 390.870 4.922 50 0 GJAARN CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1cccs1 ZINC000083865654 570974200 /nfs/dbraw/zinc/97/42/00/570974200.db2.gz UZPWBZQDZYRLJG-QGZVFWFLSA-N 0 0 383.344 4.850 50 0 GJAARN Cc1nn(C)c(C)c1CCC(=O)Nc1cnn(-c2cccc(Cl)c2)c1C(C)C ZINC000252495035 570975284 /nfs/dbraw/zinc/97/52/84/570975284.db2.gz OLKBBMQSOJRSRR-UHFFFAOYSA-N 0 0 399.926 4.571 50 0 GJAARN CCc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 ZINC000012734977 570977186 /nfs/dbraw/zinc/97/71/86/570977186.db2.gz UXPFSGNAGVWJMS-AWEZNQCLSA-N 0 0 398.557 4.988 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1Cl ZINC000012737641 570979008 /nfs/dbraw/zinc/97/90/08/570979008.db2.gz KHFIKAJMRGWUEB-UHFFFAOYSA-N 0 0 377.878 4.736 50 0 GJAARN Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@H]1CCCCc2ccccc21 ZINC000170644059 570980369 /nfs/dbraw/zinc/98/03/69/570980369.db2.gz MJCUSGJQKROARO-IBGZPJMESA-N 0 0 379.460 4.541 50 0 GJAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)Nc1ccccc1C(F)(F)F ZINC000585148202 570981470 /nfs/dbraw/zinc/98/14/70/570981470.db2.gz ZIHUVGSRCCUJCS-QGZVFWFLSA-N 0 0 390.361 4.821 50 0 GJAARN COc1ccc([C@@H](NC(=O)c2c[nH]c3ccc(Br)cc23)C2CC2)cc1 ZINC000083937903 570981522 /nfs/dbraw/zinc/98/15/22/570981522.db2.gz SZSXNZZASLZPTC-IBGZPJMESA-N 0 0 399.288 4.820 50 0 GJAARN Cc1nn(CCNC(=O)Cc2ccc(SC(C)C)cc2)c(C)c1-c1ccco1 ZINC000585148412 570981844 /nfs/dbraw/zinc/98/18/44/570981844.db2.gz GDYLJJWZLNTCEF-UHFFFAOYSA-N 0 0 397.544 4.619 50 0 GJAARN O=C(NC[C@@H]1COc2ccccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000585150000 570983546 /nfs/dbraw/zinc/98/35/46/570983546.db2.gz LHRKZZLGZMELLA-LLVKDONJSA-N 0 0 389.295 4.630 50 0 GJAARN O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccncc1Cl ZINC000170646514 570983474 /nfs/dbraw/zinc/98/34/74/570983474.db2.gz USKJAPYKYXEQFF-UHFFFAOYSA-N 0 0 387.770 4.538 50 0 GJAARN O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1nc2ccccn2c1F ZINC000170650304 570985455 /nfs/dbraw/zinc/98/54/55/570985455.db2.gz IDGXKENDCBGHEP-UHFFFAOYSA-N 0 0 385.320 4.810 50 0 GJAARN CC(C)c1noc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 ZINC000012744303 570987673 /nfs/dbraw/zinc/98/76/73/570987673.db2.gz UQZYXIUMXYOFDV-UHFFFAOYSA-N 0 0 391.500 4.657 50 0 GJAARN Cc1ccc(-c2c3cc4c(cc3[nH]c(=O)c2Cc2ccccc2)OCCO4)cc1 ZINC000098086850 570991794 /nfs/dbraw/zinc/99/17/94/570991794.db2.gz DSYPPGYYKMPZDO-UHFFFAOYSA-N 0 0 383.447 4.866 50 0 GJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CCSCC1 ZINC000084064624 570992623 /nfs/dbraw/zinc/99/26/23/570992623.db2.gz NASYCCOLVPLTQR-UHFFFAOYSA-N 0 0 386.464 4.763 50 0 GJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(F)c1 ZINC000045863997 570998054 /nfs/dbraw/zinc/99/80/54/570998054.db2.gz XWUYGAAPCGVVTG-MRXNPFEDSA-N 0 0 376.431 4.911 50 0 GJAARN Cc1nn(-c2ccccc2)c(Cl)c1CNc1cccc(N2CCOC2=O)c1C ZINC000170652845 570999146 /nfs/dbraw/zinc/99/91/46/570999146.db2.gz BKHMBJTVLMIPSC-UHFFFAOYSA-N 0 0 396.878 4.711 50 0 GJAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1C1CC1 ZINC000007617392 571002365 /nfs/dbraw/zinc/00/23/65/571002365.db2.gz HDJSRNIIUIUSBA-CQSZACIVSA-N 0 0 394.500 4.833 50 0 GJAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)NCCc1ccc(Cl)cc1 ZINC000045943285 571004690 /nfs/dbraw/zinc/00/46/90/571004690.db2.gz RQEYVBZODMYAFA-UHFFFAOYSA-N 0 0 390.867 4.585 50 0 GJAARN CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 ZINC000084169918 571005224 /nfs/dbraw/zinc/00/52/24/571005224.db2.gz YWBWDVVQVWMCNC-STQMWFEESA-N 0 0 383.414 4.662 50 0 GJAARN Cc1ccc(C(=O)Nc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 ZINC000001433918 571005614 /nfs/dbraw/zinc/00/56/14/571005614.db2.gz KBFDAEXPDJOJHP-UHFFFAOYSA-N 0 0 389.451 4.849 50 0 GJAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c(C)c1 ZINC000012758905 571008018 /nfs/dbraw/zinc/00/80/18/571008018.db2.gz RTVUQOPKANDPRL-HSZRJFAPSA-N 0 0 376.525 4.951 50 0 GJAARN 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COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000002415084 209362765 /nfs/dbraw/zinc/36/27/65/209362765.db2.gz HMDPIJFQSCMDNC-NSHDSACASA-N 0 0 392.238 4.842 50 0 GJAARN Cc1cc(C)cc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000002401043 209361216 /nfs/dbraw/zinc/36/12/16/209361216.db2.gz GSMCQNBNQZOVOD-UHFFFAOYSA-N 0 0 386.521 4.560 50 0 GJAARN Cc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn32)cc1 ZINC000002404220 209361101 /nfs/dbraw/zinc/36/11/01/209361101.db2.gz CBWZEIISFZEVLS-UHFFFAOYSA-N 0 0 395.253 4.745 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 ZINC000002374467 209360427 /nfs/dbraw/zinc/36/04/27/209360427.db2.gz QKURVIUQBVBWEQ-UHFFFAOYSA-N 0 0 397.287 4.596 50 0 GJAARN O=C(Nc1nnc(SCc2ccccc2F)s1)Nc1ccccc1F ZINC000002337601 209357383 /nfs/dbraw/zinc/35/73/83/209357383.db2.gz OXFONKNMWMESCB-UHFFFAOYSA-N 0 0 378.429 4.753 50 0 GJAARN C[C@]1(C(=O)Nc2cccc3ccccc32)CC1(Br)Br ZINC000002300674 209356647 /nfs/dbraw/zinc/35/66/47/209356647.db2.gz VLOJVJXHBMLTRV-CQSZACIVSA-N 0 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O=C(CCC(=O)N(c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 ZINC000002078151 209346225 /nfs/dbraw/zinc/34/62/25/209346225.db2.gz XGWHTYJPCMIFIF-UHFFFAOYSA-N 0 0 387.435 4.558 50 0 GJAARN CCCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 ZINC000002084580 209346326 /nfs/dbraw/zinc/34/63/26/209346326.db2.gz DGAMWLUAPNZHBO-SFHVURJKSA-N 0 0 379.489 4.719 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000002057707 209344874 /nfs/dbraw/zinc/34/48/74/209344874.db2.gz NWFQPWPPOUZDJU-OAHLLOKOSA-N 0 0 394.858 4.998 50 0 GJAARN O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cccc2cccnc21 ZINC000001890054 209341699 /nfs/dbraw/zinc/34/16/99/209341699.db2.gz UIEPKILWLUYTRV-UHFFFAOYSA-N 0 0 391.448 4.582 50 0 GJAARN CCc1ccc(OCCCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000001773864 209339110 /nfs/dbraw/zinc/33/91/10/209339110.db2.gz AJJOCPCGXPTMIY-UHFFFAOYSA-N 0 0 392.451 4.609 50 0 GJAARN CCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000001769973 209338023 /nfs/dbraw/zinc/33/80/23/209338023.db2.gz 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/nfs/dbraw/zinc/31/84/18/209318418.db2.gz ICONSCDGLVEAKJ-UHFFFAOYSA-N 0 0 391.208 4.852 50 0 GJAARN CCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000001251081 209318211 /nfs/dbraw/zinc/31/82/11/209318211.db2.gz FUUGGGUJSSIKDP-UHFFFAOYSA-N 0 0 398.488 4.722 50 0 GJAARN CC(C)c1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1CCCC2 ZINC000001258126 209317501 /nfs/dbraw/zinc/31/75/01/209317501.db2.gz DIULBFYJCHGGJY-ZDUSSCGKSA-N 0 0 382.533 4.833 50 0 GJAARN Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)c1 ZINC000001447698 209329665 /nfs/dbraw/zinc/32/96/65/209329665.db2.gz XMBVQVRWJNIZJO-HXUWFJFHSA-N 0 0 384.483 4.987 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2 ZINC000001460057 209329139 /nfs/dbraw/zinc/32/91/39/209329139.db2.gz IVWIZPCIFDEDKA-LJQANCHMSA-N 0 0 389.451 4.757 50 0 GJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000001202252 209313660 /nfs/dbraw/zinc/31/36/60/209313660.db2.gz NCLCUGHROSCRQT-UHFFFAOYSA-N 0 0 383.447 4.745 50 0 GJAARN COc1ccc2c(c1)c1c3n2CCN(C(=S)Nc2ccccc2)[C@@H]3CCC1 ZINC000001205150 209313091 /nfs/dbraw/zinc/31/30/91/209313091.db2.gz BGCNFPPAHZPTSV-HXUWFJFHSA-N 0 0 377.513 4.740 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000001204166 209312891 /nfs/dbraw/zinc/31/28/91/209312891.db2.gz NNDJPFOMSHQINO-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](Nc2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 ZINC000001187808 209311961 /nfs/dbraw/zinc/31/19/61/209311961.db2.gz TVNFNHSVTYWGHR-OAHLLOKOSA-N 0 0 375.658 4.672 50 0 GJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000001178827 209311140 /nfs/dbraw/zinc/31/11/40/209311140.db2.gz BXVAMFBFTSNODK-UHFFFAOYSA-N 0 0 378.375 4.887 50 0 GJAARN CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 ZINC000001160825 209308956 /nfs/dbraw/zinc/30/89/56/209308956.db2.gz AZHTWUIMZAUHFZ-UHFFFAOYSA-N 0 0 386.407 4.981 50 0 GJAARN O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc2ccccc21 ZINC000001178500 209310839 /nfs/dbraw/zinc/31/08/39/209310839.db2.gz 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209299528 /nfs/dbraw/zinc/29/95/28/209299528.db2.gz YYXRVOBGAKJLIL-CYBMUJFWSA-N 0 0 390.277 4.557 50 0 GJAARN COc1cc(Br)ccc1CNc1ccc(OC(F)(F)F)cc1 ZINC000001085080 209298304 /nfs/dbraw/zinc/29/83/04/209298304.db2.gz AWSFAZJBXGBLPK-UHFFFAOYSA-N 0 0 376.172 4.968 50 0 GJAARN Cc1c(NC(=S)NC(=O)c2ccco2)cccc1-c1nc2ccccc2s1 ZINC000001085367 209298122 /nfs/dbraw/zinc/29/81/22/209298122.db2.gz PKHPVXOQJHVOTH-UHFFFAOYSA-N 0 0 393.493 4.992 50 0 GJAARN O=C(Nc1cccnc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000001070961 209297166 /nfs/dbraw/zinc/29/71/66/209297166.db2.gz IHSRXQWBINZWEW-UHFFFAOYSA-N 0 0 391.434 4.711 50 0 GJAARN CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 ZINC000001068782 209296891 /nfs/dbraw/zinc/29/68/91/209296891.db2.gz MQNBXQQKBFEECF-UHFFFAOYSA-N 0 0 385.301 4.757 50 0 GJAARN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O ZINC000001072504 209296958 /nfs/dbraw/zinc/29/69/58/209296958.db2.gz ILFUUPZQHUQVBJ-GFCCVEGCSA-N 0 0 396.796 4.659 50 0 GJAARN CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000001037760 209291803 /nfs/dbraw/zinc/29/18/03/209291803.db2.gz UENYWZBAGLMUHA-UHFFFAOYSA-N 0 0 392.424 4.593 50 0 GJAARN COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)Nc2ccccc2Cl)cc1 ZINC000001050159 209293612 /nfs/dbraw/zinc/29/36/12/209293612.db2.gz MYWGCNSGTANONV-IAGOWNOFSA-N 0 0 384.863 4.508 50 0 GJAARN FC(F)Oc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000001051502 209293564 /nfs/dbraw/zinc/29/35/64/209293564.db2.gz QNJUYGJRLUZRPY-JKSUJKDBSA-N 0 0 376.794 4.679 50 0 GJAARN O=S(=O)(CCSc1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000001038426 209291406 /nfs/dbraw/zinc/29/14/06/209291406.db2.gz WQSYDHYOWMTUKP-UHFFFAOYSA-N 0 0 396.839 4.805 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000001024894 209290201 /nfs/dbraw/zinc/29/02/01/209290201.db2.gz TXLBCYWLUIFWCA-UHFFFAOYSA-N 0 0 379.529 4.556 50 0 GJAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2F)c1 ZINC000001006591 209288885 /nfs/dbraw/zinc/28/88/85/209288885.db2.gz 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/nfs/dbraw/zinc/28/39/62/209283962.db2.gz AMILVSVYZHHOBM-UHFFFAOYSA-N 0 0 390.826 4.701 50 0 GJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccccc3C)c2c1 ZINC000000952857 209283804 /nfs/dbraw/zinc/28/38/04/209283804.db2.gz HKQFJEUYLJIMPR-UHFFFAOYSA-N 0 0 378.428 4.640 50 0 GJAARN O=C1CCCc2oc3ccc(NS(=O)(=O)c4cccc5ccccc54)cc3c21 ZINC000000950312 209281968 /nfs/dbraw/zinc/28/19/68/209281968.db2.gz VNYNFCCPJRJAKB-UHFFFAOYSA-N 0 0 391.448 4.906 50 0 GJAARN CCOc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccccc2)S3)cc1OCC ZINC000000952721 209283020 /nfs/dbraw/zinc/28/30/20/209283020.db2.gz RCOMTILXFLLAAY-GOSISDBHSA-N 0 0 395.484 4.620 50 0 GJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C)c1C ZINC000000949588 209282367 /nfs/dbraw/zinc/28/23/67/209282367.db2.gz WFWXNVURROVILW-UHFFFAOYSA-N 0 0 378.428 4.559 50 0 GJAARN CCc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000000939632 209280742 /nfs/dbraw/zinc/28/07/42/209280742.db2.gz DRNRWYFXXJFIJW-UHFFFAOYSA-N 0 0 394.780 4.704 50 0 GJAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000009625523 209279543 /nfs/dbraw/zinc/27/95/43/209279543.db2.gz YWXIWJOGUCYJGZ-UHFFFAOYSA-N 0 0 380.473 4.585 50 0 GJAARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000000878089 209276175 /nfs/dbraw/zinc/27/61/75/209276175.db2.gz ZRVTUVOVQGBJEY-UHFFFAOYSA-N 0 0 386.407 4.827 50 0 GJAARN CC[C@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@@H]1c1ccc(C)cc1 ZINC000000850770 209272250 /nfs/dbraw/zinc/27/22/50/209272250.db2.gz GUUVHEDKCOVWEZ-TZIWHRDSSA-N 0 0 398.528 4.905 50 0 GJAARN Brc1c(CSc2nc3ccccc3s2)nc2ccccn21 ZINC000000851438 209272145 /nfs/dbraw/zinc/27/21/45/209272145.db2.gz BFNQDZFCKCPFFQ-UHFFFAOYSA-N 0 0 376.304 4.999 50 0 GJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000000823518 209269049 /nfs/dbraw/zinc/26/90/49/209269049.db2.gz ISMYAFNGYSXEIB-GOSISDBHSA-N 0 0 376.884 4.624 50 0 GJAARN COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000000814016 209268536 /nfs/dbraw/zinc/26/85/36/209268536.db2.gz MMKWJVBZVMWVRZ-UHFFFAOYSA-N 0 0 391.452 4.669 50 0 GJAARN O=C(Nc1cccc2ccccc21)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000000780466 209263642 /nfs/dbraw/zinc/26/36/42/209263642.db2.gz AHSGHVAEUNXQJX-UHFFFAOYSA-N 0 0 392.886 4.984 50 0 GJAARN Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(C)c2)c1 ZINC000000752755 209263923 /nfs/dbraw/zinc/26/39/23/209263923.db2.gz MJHKIDXPBNVAGM-UHFFFAOYSA-N 0 0 392.462 4.855 50 0 GJAARN O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000000709972 209262024 /nfs/dbraw/zinc/26/20/24/209262024.db2.gz FSDGTYAXLWTVMU-LJQANCHMSA-N 0 0 382.460 4.661 50 0 biogenic,in-vitro GJAARN O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 ZINC000000714725 209261879 /nfs/dbraw/zinc/26/18/79/209261879.db2.gz ZACOJFAQNZXPPO-HXUWFJFHSA-N 0 0 378.815 4.840 50 0 GJAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000000705168 209260348 /nfs/dbraw/zinc/26/03/48/209260348.db2.gz ZRXUIRVZIKERPX-QQNJPBSNSA-N 0 0 379.459 4.566 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)c4ccc(OC)c(OC)c4)c(N)c3cc2C1 ZINC000000661968 209257059 /nfs/dbraw/zinc/25/70/59/209257059.db2.gz BPOTXELOESREBY-GFCCVEGCSA-N 0 0 396.512 4.642 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1csc3c1CCCC3)CCCC2 ZINC000000648914 209255533 /nfs/dbraw/zinc/25/55/33/209255533.db2.gz MLUMCZMQTMERNU-UHFFFAOYSA-N 0 0 375.515 4.606 50 0 GJAARN COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c21 ZINC000000648214 209255123 /nfs/dbraw/zinc/25/51/23/209255123.db2.gz PREVXIWEGIOXSK-UHFFFAOYSA-N 0 0 381.284 4.871 50 0 GJAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc(F)cc1 ZINC000000633400 209253269 /nfs/dbraw/zinc/25/32/69/209253269.db2.gz SXXVHQYWILACKK-UHFFFAOYSA-N 0 0 391.518 4.700 50 0 GJAARN O=C(/C=C/c1cccs1)Nc1ccc(Br)c(Br)c1 ZINC000000652514 209255087 /nfs/dbraw/zinc/25/50/87/209255087.db2.gz LNXZBSNTBCJRFR-GQCTYLIASA-N 0 0 387.096 4.925 50 0 GJAARN COc1cc(C2=C3C(=O)OC[C@@H]3Cc3ccccc32)ccc1OCc1ccccc1 ZINC000000639946 209254473 /nfs/dbraw/zinc/25/44/73/209254473.db2.gz MQYLLYFGMUKMOX-FQEVSTJZSA-N 0 0 398.458 4.805 50 0 GJAARN CNC(=O)c1c2c(sc1NC(=O)c1cccs1)C[C@H](C(C)(C)C)CC2 ZINC000000643900 209254137 /nfs/dbraw/zinc/25/41/37/209254137.db2.gz ZBLSFTRBWQRAFZ-LLVKDONJSA-N 0 0 376.547 4.573 50 0 GJAARN CN(C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000000646547 209254294 /nfs/dbraw/zinc/25/42/94/209254294.db2.gz CATUOMTUBBHCCS-UHFFFAOYSA-N 0 0 393.390 4.511 50 0 GJAARN CC(C)(C)NC(=O)COc1ccccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000000645855 209254316 /nfs/dbraw/zinc/25/43/16/209254316.db2.gz UGJQXOAMJDFJQV-UHFFFAOYSA-N 0 0 395.286 4.539 50 0 GJAARN COc1ccc(C[C@@H](OC)[C@@H](O)c2ccccc2)c(OCc2ccccc2)c1 ZINC000000622449 209250762 /nfs/dbraw/zinc/25/07/62/209250762.db2.gz MAJBYSWTUGYQHM-RPWUZVMVSA-N 0 0 378.468 4.565 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000000629876 209252265 /nfs/dbraw/zinc/25/22/65/209252265.db2.gz BHPSJZGEMOMEAL-UHFFFAOYSA-N 0 0 383.488 4.949 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000000623813 209251239 /nfs/dbraw/zinc/25/12/39/209251239.db2.gz MSHZOSMNUDFJOA-UHFFFAOYSA-N 0 0 397.265 4.909 50 0 GJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccccc1 ZINC000000625843 209251072 /nfs/dbraw/zinc/25/10/72/209251072.db2.gz XMPCCKDZLCJXSZ-UHFFFAOYSA-N 0 0 386.480 4.665 50 0 GJAARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21NCCc2c3ccccc3[nH]c21 ZINC000019890851 209235792 /nfs/dbraw/zinc/23/57/92/209235792.db2.gz HEHNRBQRNGNKME-WZQKQDCOSA-N 0 0 399.538 4.752 50 0 biogenic GJAARN O=C1C[C@@H](c2ccco2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc32)O1 ZINC000253414989 209219717 /nfs/dbraw/zinc/21/97/17/209219717.db2.gz ZHQUPXUOCDDBEC-HNNXBMFYSA-N 0 0 376.339 4.633 50 0 biogenic GJAARN Cn1cc(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000253395575 209216778 /nfs/dbraw/zinc/21/67/78/209216778.db2.gz AMJVHJDOAWRDHN-JOCHJYFZSA-N 0 0 386.499 4.741 50 0 biogenic GJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000245255634 209216783 /nfs/dbraw/zinc/21/67/83/209216783.db2.gz JMSLMZDZXIQXOY-UPVQGACJSA-N 0 0 386.451 4.946 50 0 GJAARN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000229392350 209188133 /nfs/dbraw/zinc/18/81/33/209188133.db2.gz WOSHGJDZGIGEAO-XJKSGUPXSA-N 0 0 393.325 4.869 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000227487097 209187374 /nfs/dbraw/zinc/18/73/74/209187374.db2.gz VDLZYOORAQNKOJ-UWJYYQICSA-N 0 0 377.469 4.784 50 0 GJAARN CCSc1ccc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cn1 ZINC000072098231 212057682 /nfs/dbraw/zinc/05/76/82/212057682.db2.gz OLFHFLCRVKOOIS-GOSISDBHSA-N 0 0 378.501 4.568 50 0 GJAARN Cn1c(=N)n(CC(=O)c2ccc(-c3ccccc3)cc2)cc1-c1ccc(F)cc1 ZINC000334157542 212042317 /nfs/dbraw/zinc/04/23/17/212042317.db2.gz JDUVLCNCYASRJP-UHFFFAOYSA-N 0 0 385.442 4.662 50 0 GJAARN O=C(Nc1ccccc1Cl)c1ccc(N2CCC(C(F)(F)F)CC2)nc1 ZINC000263640159 212031327 /nfs/dbraw/zinc/03/13/27/212031327.db2.gz ZQLSHWJYMYLTEM-UHFFFAOYSA-N 0 0 383.801 4.766 50 0 GJAARN CCOC(=O)[C@H]1C[C@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cn2)cc1 ZINC000263625203 212030562 /nfs/dbraw/zinc/03/05/62/212030562.db2.gz XRRJGDIDYWFBOR-HOTGVXAUSA-N 0 0 399.903 4.943 50 0 GJAARN O=S(=O)(c1ccc2c(c1)-c1ccccc1C2)N1CCS[C@H]1c1ccccc1 ZINC000000629885 203841560 /nfs/dbraw/zinc/84/15/60/203841560.db2.gz WZJLZGKZNABKIE-QFIPXVFZSA-N 0 0 393.533 4.694 50 0 GJAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C)c(C)c5)no4)cc3CO2)cc1 ZINC000263616197 203820741 /nfs/dbraw/zinc/82/07/41/203820741.db2.gz HOMFTYUZARTLTL-NRFANRHFSA-N 0 0 386.455 4.797 50 0 GJAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)c1 ZINC000016960286 203829505 /nfs/dbraw/zinc/82/95/05/203829505.db2.gz AHJDEMKYWZTJSA-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 biogenic GJAARN CC[C@@H]1CCc2nc3sc(C(=O)N[C@@H](C)c4ccccc4)c(N)c3cc2C1 ZINC000000661940 203847254 /nfs/dbraw/zinc/84/72/54/203847254.db2.gz RQKMXMOOFSCDLJ-UONOGXRCSA-N 0 0 379.529 4.884 50 0 GJAARN COc1cccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c1 ZINC000000944897 203867084 /nfs/dbraw/zinc/86/70/84/203867084.db2.gz PSUQZKOYOFEGGY-UHFFFAOYSA-N 0 0 392.293 4.773 50 0 GJAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)ccc1Br ZINC000001017161 203872401 /nfs/dbraw/zinc/87/24/01/203872401.db2.gz BNOBQQUDCIVBRE-ZANVPECISA-N 0 0 375.104 4.520 50 0 GJAARN Cc1nc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)no2)cs1 ZINC000001031495 203874648 /nfs/dbraw/zinc/87/46/48/203874648.db2.gz MIEYRNMDWBZZOP-UHFFFAOYSA-N 0 0 378.335 4.842 50 0 GJAARN Cn1c(SC[C@@H](O)c2ccc(F)cc2)nnc1-c1ccc2ccccc2c1 ZINC000001033303 203875799 /nfs/dbraw/zinc/87/57/99/203875799.db2.gz DHULDWYEFUCYPX-LJQANCHMSA-N 0 0 379.460 4.600 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000001074079 203880991 /nfs/dbraw/zinc/88/09/91/203880991.db2.gz UHHCRZJXBXREKL-UHFFFAOYSA-N 0 0 399.479 4.608 50 0 GJAARN S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NC1CC1 ZINC000001101584 203883215 /nfs/dbraw/zinc/88/32/15/203883215.db2.gz CHCCGJUIRNAZRR-UHFFFAOYSA-N 0 0 376.441 4.599 50 0 GJAARN CC(C)(C)c1ccc(OCc2nc(-c3cccnc3)no2)c(Br)c1 ZINC000001113635 203884991 /nfs/dbraw/zinc/88/49/91/203884991.db2.gz STLOMPPYWRUXTI-UHFFFAOYSA-N 0 0 388.265 4.771 50 0 GJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001141360 203889411 /nfs/dbraw/zinc/88/94/11/203889411.db2.gz SVAJTSIKIFBMKB-CQSZACIVSA-N 0 0 395.355 4.823 50 0 GJAARN CCOc1cccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)c1 ZINC000001457137 203911150 /nfs/dbraw/zinc/91/11/50/203911150.db2.gz UYSXMJQCTOJVBZ-IAGOWNOFSA-N 0 0 390.483 4.550 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000002131931 203928563 /nfs/dbraw/zinc/92/85/63/203928563.db2.gz DXGFBVVUZAVGQC-LBPRGKRZSA-N 0 0 396.270 4.966 50 0 GJAARN Cc1cc(C)cc(-c2nnc3sc(Cc4noc5c4cccc5C)nn32)c1 ZINC000002183270 203929875 /nfs/dbraw/zinc/92/98/75/203929875.db2.gz BAHSRXQIIMYORY-UHFFFAOYSA-N 0 0 375.457 4.510 50 0 GJAARN Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000002302224 203935836 /nfs/dbraw/zinc/93/58/36/203935836.db2.gz YPSPMGPZNYUFJZ-XZOQPEGZSA-N 0 0 396.425 4.630 50 0 GJAARN O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccc(Br)cc1 ZINC000002319896 203937533 /nfs/dbraw/zinc/93/75/33/203937533.db2.gz DETIAXIKPYTTCV-UHFFFAOYSA-N 0 0 391.268 4.739 50 0 GJAARN Cc1nc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc(C)cc3)c2s1 ZINC000002362359 203940406 /nfs/dbraw/zinc/94/04/06/203940406.db2.gz ODSGWCRAQSRWFO-UHFFFAOYSA-N 0 0 376.890 4.758 50 0 aggregator GJAARN CCCCc1nc2sc3c(ncnc3NC[C@H]3CCCO3)c2c2c1CCC2 ZINC000002416903 203942848 /nfs/dbraw/zinc/94/28/48/203942848.db2.gz XBIYOQFSMSZJRS-CYBMUJFWSA-N 0 0 382.533 4.662 50 0 GJAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1F ZINC000002438459 203944569 /nfs/dbraw/zinc/94/45/69/203944569.db2.gz GNRXKYLFQHFPRU-UHFFFAOYSA-N 0 0 398.507 4.958 50 0 GJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)o2)cc1 ZINC000001233931 203899963 /nfs/dbraw/zinc/89/99/63/203899963.db2.gz XVHXKKLMILKCST-UHFFFAOYSA-N 0 0 396.512 4.782 50 0 GJAARN Cc1ccc(NC(=O)Nc2nnc(N3C[C@@H](C)C[C@H](C)C3)s2)cc1Cl ZINC000002908420 203973164 /nfs/dbraw/zinc/97/31/64/203973164.db2.gz 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WFQPFVGZEUCPHD-LJQANCHMSA-N 0 0 383.879 4.601 50 0 GJAARN O=C(c1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1)N1CCCCCC1 ZINC000040282778 205060772 /nfs/dbraw/zinc/06/07/72/205060772.db2.gz NSSDTQZBDPGPQQ-UHFFFAOYSA-N 0 0 396.270 4.542 50 0 GJAARN O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 ZINC000040285459 205061379 /nfs/dbraw/zinc/06/13/79/205061379.db2.gz FHZYHRCBYAHJJB-NRFANRHFSA-N 0 0 384.464 4.683 50 0 GJAARN Cc1coc2c1cc1c(C)c(CC(=O)Nc3nc(C)c(C)s3)c(=O)oc1c2C ZINC000040309008 205061626 /nfs/dbraw/zinc/06/16/26/205061626.db2.gz YCACERYPFNNYMI-UHFFFAOYSA-N 0 0 396.468 4.719 50 0 biogenic GJAARN O=C(Nc1nc(C(=O)N2CCCCCC2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000040355512 205062269 /nfs/dbraw/zinc/06/22/69/205062269.db2.gz NCAYTBXUIXGZGT-UHFFFAOYSA-N 0 0 398.315 4.718 50 0 GJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040478338 205066596 /nfs/dbraw/zinc/06/65/96/205066596.db2.gz OKCLSYPUINWMKJ-UHFFFAOYSA-N 0 0 385.398 4.699 50 0 GJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCc1ccc(F)cc1 ZINC000041128087 205078824 /nfs/dbraw/zinc/07/88/24/205078824.db2.gz WGPACGKWRSTEFU-KRWDZBQOSA-N 0 0 396.289 4.961 50 0 GJAARN Cc1cc(C)cc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc32)c1 ZINC000044169680 205084782 /nfs/dbraw/zinc/08/47/82/205084782.db2.gz RXTQJXYNIMXUIQ-UHFFFAOYSA-N 0 0 377.513 4.784 50 0 GJAARN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000044775917 205086446 /nfs/dbraw/zinc/08/64/46/205086446.db2.gz GQEYTJGOFVVFTJ-HZPDHXFCSA-N 0 0 380.538 4.993 50 0 GJAARN Cc1ccc2c(ccn2CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000044901221 205089776 /nfs/dbraw/zinc/08/97/76/205089776.db2.gz YHTGDXAAMZQURV-UHFFFAOYSA-N 0 0 379.891 4.833 50 0 GJAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCCC3)cc1 ZINC000045932833 205098704 /nfs/dbraw/zinc/09/87/04/205098704.db2.gz QLYMTRFTAFMSHQ-UHFFFAOYSA-N 0 0 396.487 4.767 50 0 GJAARN O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(-c2cccs2)on1 ZINC000040990067 205077116 /nfs/dbraw/zinc/07/71/16/205077116.db2.gz VQGLTJVFMUHSNL-UHFFFAOYSA-N 0 0 387.367 4.805 50 0 GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1 ZINC000047157898 205109180 /nfs/dbraw/zinc/10/91/80/205109180.db2.gz IPAIWJNCKUFEDD-UHFFFAOYSA-N 0 0 375.350 4.877 50 0 GJAARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccsc2)c(Br)c1 ZINC000048367669 205122441 /nfs/dbraw/zinc/12/24/41/205122441.db2.gz XQFARRHKZZCIOS-MRXNPFEDSA-N 0 0 379.323 4.595 50 0 GJAARN COCCNC(=O)c1sc2c(cnc3ccc(C)cc23)c1-c1ccccc1 ZINC000045943892 205100008 /nfs/dbraw/zinc/10/00/08/205100008.db2.gz XUBFVCMFTHGYTB-UHFFFAOYSA-N 0 0 376.481 4.801 50 0 GJAARN CC[C@](C)(Nc1cccc(C(F)(F)F)c1)c1nnnn1-c1ccccc1C ZINC000046078016 205104119 /nfs/dbraw/zinc/10/41/19/205104119.db2.gz FXOGKXCDQLMDPB-SFHVURJKSA-N 0 0 375.398 4.727 50 0 GJAARN CCCCc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1 ZINC000046086718 205104311 /nfs/dbraw/zinc/10/43/11/205104311.db2.gz QQCDZLVCVHKHEH-UHFFFAOYSA-N 0 0 380.444 4.954 50 0 GJAARN CCCOc1cccc(C(=O)N(Cc2c(C)nn(C)c2C)c2ccccc2)c1 ZINC000046086393 205104382 /nfs/dbraw/zinc/10/43/82/205104382.db2.gz PCYNJLVUEBIEHB-UHFFFAOYSA-N 0 0 377.488 4.673 50 0 GJAARN O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H]1c1ccsc1 ZINC000053596237 205138226 /nfs/dbraw/zinc/13/82/26/205138226.db2.gz KVNBZYASQKHUIJ-KRWDZBQOSA-N 0 0 387.505 4.733 50 0 GJAARN COc1ccccc1CN(Cc1nc2c(s1)CCCC2)Cc1cccnc1 ZINC000055211148 205145714 /nfs/dbraw/zinc/14/57/14/205145714.db2.gz PIBBQKIPTVYCDC-UHFFFAOYSA-N 0 0 379.529 4.628 50 0 GJAARN O=c1oc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)c2c1CCCCC2 ZINC000055393802 205149735 /nfs/dbraw/zinc/14/97/35/205149735.db2.gz LUCYOXFYXGQPIV-UHFFFAOYSA-N 0 0 379.431 4.553 50 0 GJAARN Cc1nc(C)c([C@@H](C)NC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)s1 ZINC000056486703 205152358 /nfs/dbraw/zinc/15/23/58/205152358.db2.gz VBQXUSWRDQAIKO-MRXNPFEDSA-N 0 0 387.549 4.691 50 0 GJAARN Fc1ccccc1Nc1nn(CN(Cc2cccnc2)C2CC2)c(=S)s1 ZINC000057406590 205157160 /nfs/dbraw/zinc/15/71/60/205157160.db2.gz TWLHIYCTKJMQMN-UHFFFAOYSA-N 0 0 387.509 4.574 50 0 GJAARN CN(Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1)Cc1ccccc1 ZINC000057427711 205157196 /nfs/dbraw/zinc/15/71/96/205157196.db2.gz SKOAHUPCMZQBHV-UHFFFAOYSA-N 0 0 385.467 4.948 50 0 GJAARN Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486678 205158217 /nfs/dbraw/zinc/15/82/17/205158217.db2.gz ZOPZUQYICHYNTN-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1cccc(Cl)c1 ZINC000057486600 205158360 /nfs/dbraw/zinc/15/83/60/205158360.db2.gz FVDDIWFJNZLQGZ-UHFFFAOYSA-N 0 0 396.809 4.636 50 0 GJAARN Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000057487228 205158611 /nfs/dbraw/zinc/15/86/11/205158611.db2.gz SKVKKQSGVCZMCN-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN O=C(Nc1cccc(Br)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000051354360 205132755 /nfs/dbraw/zinc/13/27/55/205132755.db2.gz JEGZEBFHUKVULR-UHFFFAOYSA-N 0 0 375.144 4.992 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)Nc2cccc(Br)c2)c1 ZINC000051354331 205132832 /nfs/dbraw/zinc/13/28/32/205132832.db2.gz FJRLFCBYCTWTTI-UHFFFAOYSA-N 0 0 379.254 4.891 50 0 GJAARN Cc1nc(CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)oc1C ZINC000063414705 205186142 /nfs/dbraw/zinc/18/61/42/205186142.db2.gz VCASBPCLSLNHEF-UHFFFAOYSA-N 0 0 394.041 4.701 50 0 GJAARN CCc1ccc2nc(-c3cnn(C(C)(C)C)c3)cc(C(=O)N(C)C(C)C)c2c1 ZINC000063857790 205186707 /nfs/dbraw/zinc/18/67/07/205186707.db2.gz ZDJPSRAFYDJFDH-UHFFFAOYSA-N 0 0 378.520 4.896 50 0 GJAARN O=C(CNc1ccccc1Cl)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000063656078 205187117 /nfs/dbraw/zinc/18/71/17/205187117.db2.gz DEHZMTIYQPZEBO-UHFFFAOYSA-N 0 0 380.879 4.590 50 0 GJAARN CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3c(C)cc(C)cc3n2)cn1 ZINC000063833708 205187701 /nfs/dbraw/zinc/18/77/01/205187701.db2.gz JXAYYTGWXFTYQG-QGZVFWFLSA-N 0 0 376.504 4.750 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1cccnc1 ZINC000057771013 205161332 /nfs/dbraw/zinc/16/13/32/205161332.db2.gz IAXMIZJNOAJLEB-LJQANCHMSA-N 0 0 383.373 4.867 50 0 GJAARN Cc1nc(C)c(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)s1 ZINC000058155296 205163958 /nfs/dbraw/zinc/16/39/58/205163958.db2.gz SPBVYEXEIGBYDX-UHFFFAOYSA-N 0 0 393.444 4.847 50 0 GJAARN COc1cccc(CC(=O)N[C@@H]2CCCc3nc(-c4ccccc4)sc32)c1 ZINC000058098198 205164390 /nfs/dbraw/zinc/16/43/90/205164390.db2.gz RAODACWLRYRVKY-GOSISDBHSA-N 0 0 378.497 4.555 50 0 GJAARN O=c1nc(CN2CCC[C@@H]2c2cccs2)[nH]c2scc(-c3ccco3)c21 ZINC000058160612 205165491 /nfs/dbraw/zinc/16/54/91/205165491.db2.gz HHLBHGGPZVAGMF-CYBMUJFWSA-N 0 0 383.498 4.643 50 0 GJAARN CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)c1C ZINC000058196543 205168256 /nfs/dbraw/zinc/16/82/56/205168256.db2.gz MCQQQEKFSHVHES-ZDUSSCGKSA-N 0 0 375.856 4.656 50 0 GJAARN C[C@@H]1CNC(=O)N1c1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000058249773 205170332 /nfs/dbraw/zinc/17/03/32/205170332.db2.gz VMNPABPWKSONSW-WAFBPQNNSA-N 0 0 390.270 4.563 50 0 GJAARN CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000058325168 205172164 /nfs/dbraw/zinc/17/21/64/205172164.db2.gz ZBZCLYBNCBVMIG-HSZRJFAPSA-N 0 0 394.421 4.571 50 0 GJAARN CC(C)(C)OCCSc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000058377263 205173711 /nfs/dbraw/zinc/17/37/11/205173711.db2.gz DLMWCZKXTRYROH-UHFFFAOYSA-N 0 0 378.494 4.698 50 0 GJAARN O=C(CNc1ccccc1Cl)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000058417394 205174717 /nfs/dbraw/zinc/17/47/17/205174717.db2.gz YBBYIHCMBLAMRT-UHFFFAOYSA-N 0 0 382.876 4.767 50 0 GJAARN COc1ccc2cc(CNc3cccc(N4CCCC4=O)c3C)c(Cl)nc2c1 ZINC000058394186 205174802 /nfs/dbraw/zinc/17/48/02/205174802.db2.gz LKFNTJVPNJREOC-UHFFFAOYSA-N 0 0 395.890 4.944 50 0 GJAARN O=C(NCc1ncc(-c2ccccc2)o1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000063915684 205188443 /nfs/dbraw/zinc/18/84/43/205188443.db2.gz GLDQZYLIRIILPH-UHFFFAOYSA-N 0 0 383.860 4.982 50 0 GJAARN Cc1ccc(Cn2c3cc(C(=O)NC4CCCCCCC4)ccc3oc2=O)cc1 ZINC000064894446 205200568 /nfs/dbraw/zinc/20/05/68/205200568.db2.gz YRKGKLGEHFDZMQ-UHFFFAOYSA-N 0 0 392.499 4.794 50 0 GJAARN COc1cccc(-n2cc(C(=O)Oc3cccc(C)c3)c3ccccc3c2=O)c1 ZINC000064977209 205202939 /nfs/dbraw/zinc/20/29/39/205202939.db2.gz JVSFQPISRQRYNP-UHFFFAOYSA-N 0 0 385.419 4.527 50 0 GJAARN CCOc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc1 ZINC000064968002 205202957 /nfs/dbraw/zinc/20/29/57/205202957.db2.gz YUTAOMMYJBSAQC-UHFFFAOYSA-N 0 0 386.451 4.747 50 0 GJAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c(C)c1 ZINC000064969128 205203569 /nfs/dbraw/zinc/20/35/69/205203569.db2.gz QQERBLGFFNGIQW-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1nsc2ccccc21 ZINC000064972700 205203862 /nfs/dbraw/zinc/20/38/62/205203862.db2.gz OFLWXNWHLWYYGP-UHFFFAOYSA-N 0 0 379.485 4.565 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989126 205204468 /nfs/dbraw/zinc/20/44/68/205204468.db2.gz UIPWNOIGCDJAHZ-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1)c1ccco1 ZINC000064979793 205204952 /nfs/dbraw/zinc/20/49/52/205204952.db2.gz JVJFQPVXWKZWQE-UHFFFAOYSA-N 0 0 376.437 4.806 50 0 GJAARN Cc1ccc(Cn2nnc3cc(C(=O)Nc4cccc(Cl)c4)ccc32)cc1 ZINC000065030460 205206927 /nfs/dbraw/zinc/20/69/27/205206927.db2.gz IXVWKEBVGJRHCH-UHFFFAOYSA-N 0 0 376.847 4.694 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)Nc3ccccc3Cl)cc2c1OC ZINC000065023006 205207329 /nfs/dbraw/zinc/20/73/29/205207329.db2.gz OLAYTEBHZCDYEO-UHFFFAOYSA-N 0 0 390.848 4.994 50 0 GJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(Cl)c3)C2)cc1 ZINC000065059005 205208192 /nfs/dbraw/zinc/20/81/92/205208192.db2.gz NFXDYBYGNWIXNN-QFIPXVFZSA-N 0 0 399.922 4.599 50 0 GJAARN CCc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(C)cc3)C2)cc1 ZINC000065059010 205209204 /nfs/dbraw/zinc/20/92/04/205209204.db2.gz LPWIPPPIUNCPRQ-XMMPIXPASA-N 0 0 393.531 4.508 50 0 GJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1OC ZINC000065114682 205210874 /nfs/dbraw/zinc/21/08/74/205210874.db2.gz AWWOVNLYSOIFLM-UHFFFAOYSA-N 0 0 398.894 4.826 50 0 GJAARN O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135261 205211755 /nfs/dbraw/zinc/21/17/55/205211755.db2.gz NAQJDFNAPXGOBX-MRXNPFEDSA-N 0 0 395.865 4.956 50 0 GJAARN Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 ZINC000065136562 205213055 /nfs/dbraw/zinc/21/30/55/205213055.db2.gz ODUWQMRQDYNIOQ-OAQYLSRUSA-N 0 0 393.531 4.644 50 0 GJAARN COc1ccccc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc21 ZINC000064471590 205190529 /nfs/dbraw/zinc/19/05/29/205190529.db2.gz FYVFUQGSRJCYIQ-UHFFFAOYSA-N 0 0 379.435 4.752 50 0 GJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000064747527 205193823 /nfs/dbraw/zinc/19/38/23/205193823.db2.gz ZHFAFTHYJACLBU-IBGZPJMESA-N 0 0 392.459 4.731 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(CC)cc3)cc2)n1 ZINC000064800796 205195628 /nfs/dbraw/zinc/19/56/28/205195628.db2.gz LOZXJISLZWJZCV-UHFFFAOYSA-N 0 0 375.476 4.775 50 0 GJAARN COc1ccccc1Nc1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn21 ZINC000064791039 205195784 /nfs/dbraw/zinc/19/57/84/205195784.db2.gz IPFRPTHVJOQMCA-UHFFFAOYSA-N 0 0 394.438 4.606 50 0 GJAARN CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000064839943 205196142 /nfs/dbraw/zinc/19/61/42/205196142.db2.gz PAUUTCGZWYEKIA-UHFFFAOYSA-N 0 0 391.258 4.750 50 0 GJAARN CCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c1c1ccccc1oc2=O ZINC000064839004 205196913 /nfs/dbraw/zinc/19/69/13/205196913.db2.gz COCFPZMSJWPALV-UHFFFAOYSA-N 0 0 384.794 4.812 50 0 GJAARN O=C(NCCC1=CCCCC1)c1ccn2c(c1)nnc2-c1ccccc1Cl ZINC000065296369 205227555 /nfs/dbraw/zinc/22/75/55/205227555.db2.gz PTAZVCBLSTWNMC-UHFFFAOYSA-N 0 0 380.879 4.670 50 0 GJAARN CC(=O)c1cccc(NC(=O)Nc2c(-c3ccsc3)nc3ccccn32)c1 ZINC000065321031 205230096 /nfs/dbraw/zinc/23/00/96/205230096.db2.gz ICGILHNJJAOZKS-UHFFFAOYSA-N 0 0 376.441 4.909 50 0 GJAARN CCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000065331184 205230525 /nfs/dbraw/zinc/23/05/25/205230525.db2.gz XTRUWVLEQYNSCM-SFHVURJKSA-N 0 0 381.863 4.789 50 0 GJAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000065322219 205230566 /nfs/dbraw/zinc/23/05/66/205230566.db2.gz NMOIQTWRWYZEFZ-UHFFFAOYSA-N 0 0 394.494 4.824 50 0 GJAARN CCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000065407317 205233223 /nfs/dbraw/zinc/23/32/23/205233223.db2.gz 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GJAARN CC(=O)Nc1ccc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 ZINC000078710517 211149985 /nfs/dbraw/zinc/14/99/85/211149985.db2.gz JBHBDPKOUJBILW-UHFFFAOYSA-N 0 0 381.476 4.751 50 0 GJAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)N1CCO[C@@H]2CCC[C@H]21 ZINC000078698431 211148436 /nfs/dbraw/zinc/14/84/36/211148436.db2.gz PBNNQAGITVTRSG-FGZHOGPDSA-N 0 0 392.474 4.687 50 0 GJAARN COc1cccc([C@@H]2CCCN2C(=O)c2csc(Cc3ccccc3)n2)c1 ZINC000077355288 211130763 /nfs/dbraw/zinc/13/07/63/211130763.db2.gz RQVIEJFCEDNLMR-FQEVSTJZSA-N 0 0 378.497 4.720 50 0 GJAARN CC[C@@H]1CN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CCO1 ZINC000072411687 211113398 /nfs/dbraw/zinc/11/33/98/211113398.db2.gz KEMWOKLUGFSQGX-JOCHJYFZSA-N 0 0 379.479 4.598 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)C12CCCCC2 ZINC000072400500 211112377 /nfs/dbraw/zinc/11/23/77/211112377.db2.gz FBEPIJCMTHMDHT-LAUBAEHRSA-N 0 0 391.515 4.761 50 0 GJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072328905 211092100 /nfs/dbraw/zinc/09/21/00/211092100.db2.gz NSQGHLRGCQRQPB-UHFFFAOYSA-N 0 0 379.769 4.679 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CSc3ccc(O)cc3)[C@H](c3ccco3)C2)cc1 ZINC000071942974 211064985 /nfs/dbraw/zinc/06/49/85/211064985.db2.gz MYVLXPXPLWLLBB-FQEVSTJZSA-N 0 0 392.480 4.764 50 0 GJAARN COc1c(C)cnc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1C ZINC000071759613 211059052 /nfs/dbraw/zinc/05/90/52/211059052.db2.gz KWCHQIGBJVFXRJ-GOSISDBHSA-N 0 0 381.303 4.587 50 0 GJAARN Cc1c2cc(Cl)cc(CNC(=O)Cc3ccn(C)c3)c2[nH]c1-c1ccccc1 ZINC000071753279 211056102 /nfs/dbraw/zinc/05/61/02/211056102.db2.gz OSAZBWQCNCDKJF-UHFFFAOYSA-N 0 0 391.902 4.994 50 0 GJAARN CC(=O)Nc1cccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000071416015 211049395 /nfs/dbraw/zinc/04/93/95/211049395.db2.gz XHTLCYCWRMNXGB-QGZVFWFLSA-N 0 0 381.284 4.730 50 0 GJAARN Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)cc1Cl ZINC000071328495 211045016 /nfs/dbraw/zinc/04/50/16/211045016.db2.gz OVVVQTXIMHPGIK-UHFFFAOYSA-N 0 0 391.652 4.505 50 0 GJAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1 ZINC000071286929 211044349 /nfs/dbraw/zinc/04/43/49/211044349.db2.gz BJQDEHIZSHTNJO-SFHVURJKSA-N 0 0 387.505 4.997 50 0 GJAARN Clc1ccc(Cl)c(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 ZINC000071260588 211042756 /nfs/dbraw/zinc/04/27/56/211042756.db2.gz IFHCFLCEXVUUBT-UHFFFAOYSA-N 0 0 382.320 4.536 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)NCCCc3ccccc3)CC2)n1 ZINC000090608148 211036774 /nfs/dbraw/zinc/03/67/74/211036774.db2.gz AIEFAECBGBGUJH-UHFFFAOYSA-N 0 0 389.590 4.598 50 0 GJAARN CSc1ccccc1C(=O)N1CCC(CSc2nc(C)cs2)CC1 ZINC000090608116 211037038 /nfs/dbraw/zinc/03/70/38/211037038.db2.gz FWBJDGJYPOQQNP-UHFFFAOYSA-N 0 0 378.588 4.818 50 0 GJAARN CC[C@@H](c1ccccn1)N(C)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000067955546 211030904 /nfs/dbraw/zinc/03/09/04/211030904.db2.gz HURURMHYXOTDCR-SFHVURJKSA-N 0 0 394.475 4.820 50 0 GJAARN O=C(Nc1nc2c(s1)CCCCCC2)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000069370063 211035650 /nfs/dbraw/zinc/03/56/50/211035650.db2.gz 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/nfs/dbraw/zinc/00/52/59/211005259.db2.gz OBKMITMBDNRYNX-UHFFFAOYSA-N 0 0 397.475 4.721 50 0 GJAARN CCc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1 ZINC000067257094 211004738 /nfs/dbraw/zinc/00/47/38/211004738.db2.gz UVMMUUMBZKDBQF-UHFFFAOYSA-N 0 0 381.476 4.884 50 0 GJAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1cccc(Cl)c1 ZINC000067259179 211004665 /nfs/dbraw/zinc/00/46/65/211004665.db2.gz ZFEHHGKQFJYXII-UHFFFAOYSA-N 0 0 388.920 4.769 50 0 GJAARN Clc1cccc(-c2nnn3c2nc(NCc2ccccn2)c2ccccc23)c1 ZINC000067261516 211006542 /nfs/dbraw/zinc/00/65/42/211006542.db2.gz SFZLDJWBDXYCCP-UHFFFAOYSA-N 0 0 386.846 4.605 50 0 GJAARN Cc1sc(-c2nnc(C3CC3)o2)cc1NC(=O)c1nccc2ccccc21 ZINC000065149399 210969360 /nfs/dbraw/zinc/96/93/60/210969360.db2.gz WOMNVBOSOAHKGS-UHFFFAOYSA-N 0 0 376.441 4.784 50 0 GJAARN CCN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)c1cccc(C)c1 ZINC000065085000 210965196 /nfs/dbraw/zinc/96/51/96/210965196.db2.gz RWEHRRSZLKSWFN-UHFFFAOYSA-N 0 0 385.510 4.556 50 0 GJAARN O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085442 210964995 /nfs/dbraw/zinc/96/49/95/210964995.db2.gz QQUJZDMYMLUZFS-UHFFFAOYSA-N 0 0 395.864 4.626 50 0 GJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccccc3Cl)C2)cc1 ZINC000065059006 210963722 /nfs/dbraw/zinc/96/37/22/210963722.db2.gz JOJVHMMESIHVPR-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)Nc1ccc(F)cc1F ZINC000065029718 210961398 /nfs/dbraw/zinc/96/13/98/210961398.db2.gz PUQZTIZKNXIQGN-UHFFFAOYSA-N 0 0 386.377 4.896 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4cc(F)ccc4F)c3N)n2)c(C)c1 ZINC000064664572 210943515 /nfs/dbraw/zinc/94/35/15/210943515.db2.gz BYSKDRBLSNNBLY-UHFFFAOYSA-N 0 0 383.427 4.535 50 0 GJAARN Cc1cc(C)c(NC(=O)Cn2c(C(=O)OC(C)C)cc3ccsc32)c(C)c1 ZINC000064659089 210943106 /nfs/dbraw/zinc/94/31/06/210943106.db2.gz KLHMSQSKUKTEAP-UHFFFAOYSA-N 0 0 384.501 4.832 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2cccc(OC)c2)no1 ZINC000064747481 210946132 /nfs/dbraw/zinc/94/61/32/210946132.db2.gz 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ZINC000058281382 210914789 /nfs/dbraw/zinc/91/47/89/210914789.db2.gz YLRMGFJCBPVBMJ-UHFFFAOYSA-N 0 0 378.501 4.810 50 0 GJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000057486803 210898324 /nfs/dbraw/zinc/89/83/24/210898324.db2.gz AYERUIAXZQAJPL-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN O=C(Nc1nnc(C2CC2)s1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000048262676 210848256 /nfs/dbraw/zinc/84/82/56/210848256.db2.gz WYVIFHNBOOBJMO-UHFFFAOYSA-N 0 0 381.423 4.885 50 0 GJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2Cl)c(OC)c1 ZINC000040288589 210785116 /nfs/dbraw/zinc/78/51/16/210785116.db2.gz ZNINKCOBDGMCEM-CQSZACIVSA-N 0 0 383.835 4.667 50 0 GJAARN O=C(Nc1ccccc1Cc1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000040098905 210772322 /nfs/dbraw/zinc/77/23/22/210772322.db2.gz WJMWAFBPBWNIKT-UHFFFAOYSA-N 0 0 391.540 4.689 50 0 GJAARN O=C(CSc1ccccc1Cl)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000040090715 210771815 /nfs/dbraw/zinc/77/18/15/210771815.db2.gz MASMMVACQIGLLW-UHFFFAOYSA-N 0 0 395.311 4.851 50 0 GJAARN CCOc1ccc2nc(C(=O)OC)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000038487345 210755630 /nfs/dbraw/zinc/75/56/30/210755630.db2.gz JTRZPNBMRIDVNH-UHFFFAOYSA-N 0 0 386.835 4.826 50 0 GJAARN CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036357205 210721836 /nfs/dbraw/zinc/72/18/36/210721836.db2.gz QLYMCBQGZCWQOZ-NRFANRHFSA-N 0 0 376.500 4.516 50 0 GJAARN CCc1cc(C(=O)NC2CCCCC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621696 210730268 /nfs/dbraw/zinc/73/02/68/210730268.db2.gz VZOYTGMDTVIVEU-UHFFFAOYSA-N 0 0 388.515 4.923 50 0 GJAARN Cc1cccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N3CCCC3)n2)c1 ZINC000035988555 210702979 /nfs/dbraw/zinc/70/29/79/210702979.db2.gz CWRKKAHKYNTMLI-SFHVURJKSA-N 0 0 386.499 4.543 50 0 GJAARN Cc1cccc(CSc2nnc(NC(=O)CSc3ccccc3)s2)c1 ZINC000035912954 210700013 /nfs/dbraw/zinc/70/00/13/210700013.db2.gz GYTYKOYYKJYWND-UHFFFAOYSA-N 0 0 387.555 4.870 50 0 GJAARN CC(C)CC(=O)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1 ZINC000036156435 210712194 /nfs/dbraw/zinc/71/21/94/210712194.db2.gz 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ZINC000033267884 210633842 /nfs/dbraw/zinc/63/38/42/210633842.db2.gz RQENWPCLAXJYTL-GOSISDBHSA-N 0 0 388.446 4.666 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033252424 210630871 /nfs/dbraw/zinc/63/08/71/210630871.db2.gz GGHIBKAJSATZNM-UHFFFAOYSA-N 0 0 377.350 4.934 50 0 GJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C ZINC000033169444 210629329 /nfs/dbraw/zinc/62/93/29/210629329.db2.gz CVEOYRWBEDEZJA-UHFFFAOYSA-N 0 0 378.544 4.704 50 0 GJAARN Cc1ccc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1C ZINC000033127825 210626660 /nfs/dbraw/zinc/62/66/60/210626660.db2.gz VVOFCKRMUIKZSR-HSZRJFAPSA-N 0 0 399.494 4.756 50 0 GJAARN CCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nc2ccccc2c1=O ZINC000032984643 210611758 /nfs/dbraw/zinc/61/17/58/210611758.db2.gz QTHOJXVFZMNFMR-UHFFFAOYSA-N 0 0 391.496 4.981 50 0 GJAARN Cc1cc(C)c2nc(C)cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2c1 ZINC000032961558 210609148 /nfs/dbraw/zinc/60/91/48/210609148.db2.gz IYPAASFUGLIWOU-UHFFFAOYSA-N 0 0 387.527 4.739 50 0 GJAARN C[C@H](NC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000032931943 210605303 /nfs/dbraw/zinc/60/53/03/210605303.db2.gz BXJNYTCIYBOTSQ-LRDDRELGSA-N 0 0 397.828 4.600 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)c1nc(NCc2ccccc2)ncc1Cl ZINC000032932016 210605279 /nfs/dbraw/zinc/60/52/79/210605279.db2.gz PYJKPKVHGPWLPA-UHFFFAOYSA-N 0 0 391.233 4.787 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000040112872 210526851 /nfs/dbraw/zinc/52/68/51/210526851.db2.gz GXHFHRRKVHVOLS-CQSZACIVSA-N 0 0 381.501 4.792 50 0 GJAARN COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2c2ccccc2)cc1 ZINC000028405696 210526904 /nfs/dbraw/zinc/52/69/04/210526904.db2.gz UGRKTRHCRFXAEJ-OAQYLSRUSA-N 0 0 388.492 4.570 50 0 GJAARN CSc1ncc(Br)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000027741855 210517341 /nfs/dbraw/zinc/51/73/41/210517341.db2.gz HXGKZTPXJQRMBB-UHFFFAOYSA-N 0 0 393.093 4.520 50 0 GJAARN COc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc(OC)c1 ZINC000026531962 210498403 /nfs/dbraw/zinc/49/84/03/210498403.db2.gz MLNXIOKHDUIOQY-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN O=C(/C=C/c1sc2ccccc2c1Cl)Nc1ccc2c(c1)NC(=O)CO2 ZINC000026392742 210497125 /nfs/dbraw/zinc/49/71/25/210497125.db2.gz CSDLYSFWQSBSFB-BQYQJAHWSA-N 0 0 384.844 4.538 50 0 GJAARN Cc1cccc(-c2nnc(SCCc3ccncc3)n2Cc2ccco2)c1 ZINC000024986424 210475022 /nfs/dbraw/zinc/47/50/22/210475022.db2.gz JLUZHYFAOCLPHS-UHFFFAOYSA-N 0 0 376.485 4.625 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2nc(-c3ccccc3)oc2C)c(OC)c1 ZINC000023312769 210441136 /nfs/dbraw/zinc/44/11/36/210441136.db2.gz CTXYCFHFZXCFEM-IBGZPJMESA-N 0 0 392.455 4.645 50 0 GJAARN C[C@H]1C[C@H]1C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023312295 210441188 /nfs/dbraw/zinc/44/11/88/210441188.db2.gz PLMUOHDAJSHRTB-HNAYVOBHSA-N 0 0 377.463 4.662 50 0 GJAARN CCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccc(F)cc2)c1 ZINC000023328717 210440694 /nfs/dbraw/zinc/44/06/94/210440694.db2.gz NYHYEIPFKBGNSJ-UHFFFAOYSA-N 0 0 395.434 4.594 50 0 GJAARN C[C@H]1CCCN(c2cc(C(=O)N[C@@H]3CCc4ccccc43)c3ccccc3n2)C1 ZINC000023320376 210439807 /nfs/dbraw/zinc/43/98/07/210439807.db2.gz IFNZCVGATXKRIC-GAJHUEQPSA-N 0 0 385.511 4.888 50 0 GJAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)N[C@@H](C)COC)cc2)cc1 ZINC000023306680 210439394 /nfs/dbraw/zinc/43/93/94/210439394.db2.gz WCHNGFWRDGKEMH-SFHVURJKSA-N 0 0 391.515 4.647 50 0 GJAARN CCCC[C@@H](CC)CNC(=O)c1cnc2c(-c3ccccc3F)cnn2c1C ZINC000023306818 210437689 /nfs/dbraw/zinc/43/76/89/210437689.db2.gz DNOAPFCTVDIJAI-MRXNPFEDSA-N 0 0 382.483 4.790 50 0 GJAARN CCc1ccc(CN(C)C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 ZINC000023595881 210450166 /nfs/dbraw/zinc/45/01/66/210450166.db2.gz LUNGMUOSOJXVJK-UHFFFAOYSA-N 0 0 392.547 4.783 50 0 GJAARN Cc1ccc(Nc2c(C)c(C)nc3nc(Cc4cccc(F)c4)nn32)cc1F ZINC000021941604 210402648 /nfs/dbraw/zinc/40/26/48/210402648.db2.gz DADHBUBZVPKHIZ-UHFFFAOYSA-N 0 0 379.414 4.662 50 0 GJAARN Cc1cc(C)n(-c2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn32)n1 ZINC000021799384 210393050 /nfs/dbraw/zinc/39/30/50/210393050.db2.gz DHJVKJZXVOEVQA-UHFFFAOYSA-N 0 0 385.393 4.834 50 0 GJAARN Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)Nc3c(C)cccc3C)c2c1 ZINC000021604515 210386144 /nfs/dbraw/zinc/38/61/44/210386144.db2.gz ADVVRPLMTZQWJT-KRWDZBQOSA-N 0 0 376.456 4.652 50 0 GJAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4sccc4C3)c12 ZINC000021629379 210386044 /nfs/dbraw/zinc/38/60/44/210386044.db2.gz VOKCUEKMKFNZMT-UHFFFAOYSA-N 0 0 393.443 4.597 50 0 GJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N(Cc1ccccc1)c1ccccc1 ZINC000021598409 210385168 /nfs/dbraw/zinc/38/51/68/210385168.db2.gz CQHQKYGFKWRMIL-UHFFFAOYSA-N 0 0 384.479 4.589 50 0 GJAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1SCc1cccs1 ZINC000021873059 210397681 /nfs/dbraw/zinc/39/76/81/210397681.db2.gz ISEQKPGLUOVKHS-HNNXBMFYSA-N 0 0 397.521 4.610 50 0 GJAARN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(=O)Cc1ccc(F)cc1 ZINC000021826078 210394845 /nfs/dbraw/zinc/39/48/45/210394845.db2.gz DJLMRQKIPMBJKL-UHFFFAOYSA-N 0 0 377.394 4.769 50 0 GJAARN CCCCOc1cccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)c1 ZINC000021785876 210393748 /nfs/dbraw/zinc/39/37/48/210393748.db2.gz FMCFYFFNRHGNMP-UHFFFAOYSA-N 0 0 396.512 4.928 50 0 GJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c(Br)c1 ZINC000021105110 210376761 /nfs/dbraw/zinc/37/67/61/210376761.db2.gz QTEYIEBSKLIDGN-SFHVURJKSA-N 0 0 398.260 4.512 50 0 GJAARN CCn1c(SCc2cc(=O)c3c(C)ccc(C)c3[nH]2)nnc1-c1cccs1 ZINC000021098945 210376419 /nfs/dbraw/zinc/37/64/19/210376419.db2.gz PJAFBWDKMQGYBS-UHFFFAOYSA-N 0 0 396.541 4.777 50 0 GJAARN CCCCCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 ZINC000021361756 210382593 /nfs/dbraw/zinc/38/25/93/210382593.db2.gz ZESOFSSBCFXGKV-UHFFFAOYSA-N 0 0 383.879 4.994 50 0 GJAARN COc1cccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1O ZINC000021330437 210382094 /nfs/dbraw/zinc/38/20/94/210382094.db2.gz FLBURDQJYDQNJB-UHFFFAOYSA-N 0 0 375.833 4.535 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000021177525 210380329 /nfs/dbraw/zinc/38/03/29/210380329.db2.gz LBAMUDSSRHOTRK-AWEZNQCLSA-N 0 0 394.887 4.918 50 0 GJAARN CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021177285 210379614 /nfs/dbraw/zinc/37/96/14/210379614.db2.gz XKNVADKQCCRIDN-INIZCTEOSA-N 0 0 388.496 4.827 50 0 GJAARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c2)o1 ZINC000021032669 210374089 /nfs/dbraw/zinc/37/40/89/210374089.db2.gz AWYLIXBWCUVGGU-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN COc1ccccc1CNC(=O)c1ccc(N2c3ccccc3C[C@@H]2C)s1 ZINC000020985962 210373755 /nfs/dbraw/zinc/37/37/55/210373755.db2.gz NTMCTJTWZDSJLD-HNNXBMFYSA-N 0 0 378.497 4.769 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(NC(=O)N2CCCCc3ccccc32)c1 ZINC000020988178 210373508 /nfs/dbraw/zinc/37/35/08/210373508.db2.gz MAYNJTNUFKNDMT-UHFFFAOYSA-N 0 0 399.494 4.991 50 0 GJAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(CC)c1cccc(C)c1 ZINC000020978617 210370619 /nfs/dbraw/zinc/37/06/19/210370619.db2.gz KKXYFMLPGNDVJT-UHFFFAOYSA-N 0 0 384.501 4.736 50 0 GJAARN CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000020904312 210369485 /nfs/dbraw/zinc/36/94/85/210369485.db2.gz LBQIOLNHABRDNK-NHCUHLMSSA-N 0 0 398.572 4.847 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2 ZINC000020892090 210367307 /nfs/dbraw/zinc/36/73/07/210367307.db2.gz MDRQHYGFUUGVHL-SFHVURJKSA-N 0 0 387.867 4.748 50 0 GJAARN COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 ZINC000020900046 210367180 /nfs/dbraw/zinc/36/71/80/210367180.db2.gz NIABEKWXFPLMFO-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(C)cc1C)SCC(=O)N2 ZINC000020891846 210366882 /nfs/dbraw/zinc/36/68/82/210366882.db2.gz AQDFWFKFXHUZSX-HXUWFJFHSA-N 0 0 381.476 4.711 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020767756 210360393 /nfs/dbraw/zinc/36/03/93/210360393.db2.gz VHWYXFWNFULTOO-UHFFFAOYSA-N 0 0 395.871 4.637 50 0 GJAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCc2ccccc2F)[C@@H]3CCC1 ZINC000020407724 210330435 /nfs/dbraw/zinc/33/04/35/210330435.db2.gz YTYAVJOYIIGHRM-JOCHJYFZSA-N 0 0 376.475 4.941 50 0 GJAARN CCOc1cccc2c1Oc1nc(-c3cccc(OC)c3OC)[nH]c(=S)c1C2 ZINC000020380488 210332348 /nfs/dbraw/zinc/33/23/48/210332348.db2.gz MIDBMGOLYFSLCZ-UHFFFAOYSA-N 0 0 396.468 4.545 50 0 GJAARN C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1C1CCCCCC1 ZINC000020387459 210331799 /nfs/dbraw/zinc/33/17/99/210331799.db2.gz IBZIJXDQBRKBPF-XMMPIXPASA-N 0 0 382.548 4.615 50 0 GJAARN O=C(Nc1cccc(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020149328 210319658 /nfs/dbraw/zinc/31/96/58/210319658.db2.gz JULBFAFYDDWVHH-UHFFFAOYSA-N 0 0 389.474 4.765 50 0 GJAARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000019855109 210302742 /nfs/dbraw/zinc/30/27/42/210302742.db2.gz ORRZTUWZZSPQTC-HXUWFJFHSA-N 0 0 397.471 4.619 50 0 GJAARN Clc1ccc(-c2cc(-c3nnc4sc(Cc5cccs5)nn43)[nH]n2)cc1 ZINC000019827395 210300467 /nfs/dbraw/zinc/30/04/67/210300467.db2.gz CJIQDIRAXRBWDC-UHFFFAOYSA-N 0 0 398.904 4.549 50 0 GJAARN CN(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019908910 210307770 /nfs/dbraw/zinc/30/77/70/210307770.db2.gz DCCDWGKQOYJASI-UHFFFAOYSA-N 0 0 385.511 4.650 50 0 GJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(Cl)s3)n2)c1 ZINC000004200624 220693286 /nfs/dbraw/zinc/69/32/86/220693286.db2.gz RIMSIFNJQMUCEE-UHFFFAOYSA-N 0 0 380.878 4.795 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc54)sc3n2)cc1 ZINC000006309192 220929036 /nfs/dbraw/zinc/92/90/36/220929036.db2.gz YCDIEINJGZSCNU-UHFFFAOYSA-N 0 0 389.480 4.583 50 0 GJAARN CN(C(=O)COC(=O)/C(=C\c1cccs1)c1cccs1)c1ccccc1 ZINC000006497565 220937986 /nfs/dbraw/zinc/93/79/86/220937986.db2.gz JHPDIYYHZVAORX-LGMDPLHJSA-N 0 0 383.494 4.556 50 0 GJAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2nc1NCc1ccccc1 ZINC000007985738 221018727 /nfs/dbraw/zinc/01/87/27/221018727.db2.gz WMLMTONCSQGPII-UHFFFAOYSA-N 0 0 384.483 4.904 50 0 GJAARN CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCCCO2 ZINC000007986993 221020737 /nfs/dbraw/zinc/02/07/37/221020737.db2.gz IWBYEZQDNICGET-QFIPXVFZSA-N 0 0 376.456 4.523 50 0 GJAARN COc1ccc(CN(Cc2ccco2)C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000009204940 221073268 /nfs/dbraw/zinc/07/32/68/221073268.db2.gz CXLUZKVJNRQGFU-UHFFFAOYSA-N 0 0 379.456 4.513 50 0 GJAARN CCCc1nnc(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)[nH]1 ZINC000009058049 221069367 /nfs/dbraw/zinc/06/93/67/221069367.db2.gz KQHIFVLCMALXHL-IBGZPJMESA-N 0 0 396.516 4.546 50 0 GJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)c1ccccc1 ZINC000009884913 221093221 /nfs/dbraw/zinc/09/32/21/221093221.db2.gz GNLPSVCPVBDVOY-OAHLLOKOSA-N 0 0 378.497 4.875 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccccc2OC[C@H]2CCCO2)cc(C)c1Cl ZINC000010155664 221097915 /nfs/dbraw/zinc/09/79/15/221097915.db2.gz IJOCXOGFSCTHNB-MRXNPFEDSA-N 0 0 389.879 4.532 50 0 GJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccc(F)cc2s1 ZINC000011807643 221125841 /nfs/dbraw/zinc/12/58/41/221125841.db2.gz IAOKJYKTJMVXBP-UHFFFAOYSA-N 0 0 385.395 4.801 50 0 GJAARN CCn1ccnc1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000011820351 221128819 /nfs/dbraw/zinc/12/88/19/221128819.db2.gz DUGCUBWPYUBKDR-DEOSSOPVSA-N 0 0 386.499 4.541 50 0 GJAARN CCn1ccnc1CN1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000011820352 221129675 /nfs/dbraw/zinc/12/96/75/221129675.db2.gz DUGCUBWPYUBKDR-XMMPIXPASA-N 0 0 386.499 4.541 50 0 GJAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCCN1Cc1ccsc1 ZINC000011822057 221129713 /nfs/dbraw/zinc/12/97/13/221129713.db2.gz AJQVVIONEDGXIE-OAQYLSRUSA-N 0 0 393.512 4.929 50 0 GJAARN Clc1ccc(-c2noc(CN3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000011841609 221132637 /nfs/dbraw/zinc/13/26/37/221132637.db2.gz PGNBAKCHVRSGSM-UHFFFAOYSA-N 0 0 383.879 4.571 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1)c1ccco1 ZINC000011178010 221112137 /nfs/dbraw/zinc/11/21/37/221112137.db2.gz AXODRWUSGLJMED-UHFFFAOYSA-N 0 0 390.317 4.683 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1F ZINC000011916770 221135837 /nfs/dbraw/zinc/13/58/37/221135837.db2.gz GCWCTOKOIQXXQW-UHFFFAOYSA-N 0 0 375.197 4.804 50 0 GJAARN O=C(c1ccc(Br)cc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000011914651 221136353 /nfs/dbraw/zinc/13/63/53/221136353.db2.gz DWDQJSCCMNEFJH-UHFFFAOYSA-N 0 0 385.261 4.610 50 0 GJAARN 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CC(=O)Nc1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c(C)c1 ZINC000001033006 570236327 /nfs/dbraw/zinc/23/63/27/570236327.db2.gz ADCZFDRRUZCKIQ-UHFFFAOYSA-N 0 0 383.835 4.823 50 0 GJAARN Cc1cccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c1 ZINC000001036872 570236774 /nfs/dbraw/zinc/23/67/74/570236774.db2.gz ZMQXEZQWUUJWPB-UHFFFAOYSA-N 0 0 376.300 4.658 50 0 GJAARN Cc1ccc(C(=O)CSc2nc(N)c(C(=O)c3ccc(C)cc3)s2)cc1 ZINC000001041264 570237491 /nfs/dbraw/zinc/23/74/91/570237491.db2.gz LPNJZZBBJUFWAV-UHFFFAOYSA-N 0 0 382.510 4.548 50 0 GJAARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1Cl ZINC000001052531 570239011 /nfs/dbraw/zinc/23/90/11/570239011.db2.gz ABSHLPQCZVMWTO-UHFFFAOYSA-N 0 0 383.706 4.918 50 0 GJAARN Cc1cccc(CN(Cn2nc(-c3ccccc3F)n(C)c2=S)C2CC2)c1 ZINC000048340516 570239101 /nfs/dbraw/zinc/23/91/01/570239101.db2.gz LDYULPKDSRJXIL-UHFFFAOYSA-N 0 0 382.508 4.688 50 0 GJAARN Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c1C ZINC000001069623 570240232 /nfs/dbraw/zinc/24/02/32/570240232.db2.gz JMZOFBDZNVZZHJ-UHFFFAOYSA-N 0 0 378.497 4.767 50 0 GJAARN Cc1c(C[NH2+]CCc2ccccc2C)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776898 570241433 /nfs/dbraw/zinc/24/14/33/570241433.db2.gz AASKMJCVCAMLOA-UHFFFAOYSA-N 0 0 394.490 4.631 50 0 GJAARN Cc1c(C[NH2+]CCC2=CCCCC2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776864 570241455 /nfs/dbraw/zinc/24/14/55/570241455.db2.gz CUMUJEYYSVIWIU-UHFFFAOYSA-N 0 0 384.495 4.971 50 0 GJAARN Clc1nc(N2CCCc3ccccc32)nc(N2CCCc3ccccc32)n1 ZINC000001107350 570241810 /nfs/dbraw/zinc/24/18/10/570241810.db2.gz FQIFHHCFBDKBBY-UHFFFAOYSA-N 0 0 377.879 4.694 50 0 GJAARN O=C(COc1ccc(Cl)cc1Br)Nc1nc2ccccc2s1 ZINC000001110442 570242371 /nfs/dbraw/zinc/24/23/71/570242371.db2.gz PVGYIGZWQXMDKK-UHFFFAOYSA-N 0 0 397.681 4.730 50 0 GJAARN Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000001114994 570243056 /nfs/dbraw/zinc/24/30/56/570243056.db2.gz WMKHFSUZWHEKSL-CABCVRRESA-N 0 0 394.693 4.967 50 0 GJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000001115634 570243059 /nfs/dbraw/zinc/24/30/59/570243059.db2.gz VILDWQQVVYNGKA-JTQLQIEISA-N 0 0 378.211 4.506 50 0 GJAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000035168050 570243199 /nfs/dbraw/zinc/24/31/99/570243199.db2.gz UMEDOQVNDUHPJI-HSZRJFAPSA-N 0 0 389.499 4.782 50 0 GJAARN O=C1OC(c2cccs2)=N/C1=C\c1sc(Oc2ccccc2)nc1Cl ZINC000048354970 570243443 /nfs/dbraw/zinc/24/34/43/570243443.db2.gz VVDMWUUXJAYEIM-LUAWRHEFSA-N 0 0 388.857 4.995 50 0 GJAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1C ZINC000035170886 570243652 /nfs/dbraw/zinc/24/36/52/570243652.db2.gz VNICSNAMIHTYOS-HNNXBMFYSA-N 0 0 381.863 4.707 50 0 GJAARN COc1cccc(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CCCCC4)c1 ZINC000001123656 570243867 /nfs/dbraw/zinc/24/38/67/570243867.db2.gz SSWLETGZKJNHQP-UHFFFAOYSA-N 0 0 392.451 4.641 50 0 GJAARN CCCn1cnc2cc(NC(=O)N3CCc4ccc(OC)cc4[C@@H]3C)ccc21 ZINC000097492506 570244790 /nfs/dbraw/zinc/24/47/90/570244790.db2.gz JXEMNQNOANZDCL-HNNXBMFYSA-N 0 0 378.476 4.606 50 0 GJAARN Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)nc12 ZINC000001129447 570245030 /nfs/dbraw/zinc/24/50/30/570245030.db2.gz KUNPFWQSVRNGOA-UHFFFAOYSA-N 0 0 397.887 4.764 50 0 GJAARN Clc1ccccc1[C@@H]1C[C@H](c2cccc(Br)c2)n2ncnc2N1 ZINC000001129359 570245067 /nfs/dbraw/zinc/24/50/67/570245067.db2.gz OFJYLVQCNQKRJP-JKSUJKDBSA-N 0 0 389.684 4.840 50 0 GJAARN CCn1c(=S)n(CN(C2CC2)[C@@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000048365733 570245987 /nfs/dbraw/zinc/24/59/87/570245987.db2.gz SYUQHXRUDKFILL-HXUWFJFHSA-N 0 0 391.544 4.605 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000001139682 570247364 /nfs/dbraw/zinc/24/73/64/570247364.db2.gz HGPVUAVXJBGMSO-UHFFFAOYSA-N 0 0 384.819 4.511 50 0 GJAARN O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000048479020 570252272 /nfs/dbraw/zinc/25/22/72/570252272.db2.gz DJIGMGKQXWKUIS-UHFFFAOYSA-N 0 0 379.406 4.853 50 0 GJAARN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000001163740 570252384 /nfs/dbraw/zinc/25/23/84/570252384.db2.gz 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/nfs/dbraw/zinc/25/56/41/570255641.db2.gz ZTQFHWIUYWHQGY-MRXNPFEDSA-N 0 0 391.311 4.531 50 0 GJAARN CCOC(=O)[C@H](Cc1cccc(C(F)(F)F)c1)Sc1nc2ccccc2[nH]1 ZINC000001183673 570256206 /nfs/dbraw/zinc/25/62/06/570256206.db2.gz FWBGFFRDECQNAW-INIZCTEOSA-N 0 0 394.418 4.848 50 0 GJAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccs1 ZINC000001184262 570256233 /nfs/dbraw/zinc/25/62/33/570256233.db2.gz AVKXBYZPILPITE-UHFFFAOYSA-N 0 0 379.466 4.683 50 0 GJAARN Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(-c2ccc(Cl)cc2)n1 ZINC000049006962 570258310 /nfs/dbraw/zinc/25/83/10/570258310.db2.gz XCLNIILWWORBCV-UHFFFAOYSA-N 0 0 381.863 4.740 50 0 GJAARN Cc1ccc(-c2nn(CC(=O)Nc3cc(C)ccc3C)c(=O)c3ccccc32)cc1 ZINC000001239749 570259695 /nfs/dbraw/zinc/25/96/95/570259695.db2.gz HHIOHLNVNUXNCW-UHFFFAOYSA-N 0 0 397.478 4.627 50 0 GJAARN CC[C@]1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3OC)c(=O)c21 ZINC000001268536 570260059 /nfs/dbraw/zinc/26/00/59/570260059.db2.gz WVSQFRSNDJCTOA-JOCHJYFZSA-N 0 0 378.497 4.794 50 0 GJAARN Cc1sc(NC(=O)c2ccc(Br)o2)nc1-c1ccc(F)cc1 ZINC000001285017 570260454 /nfs/dbraw/zinc/26/04/54/570260454.db2.gz YRXPROBVAVASFX-UHFFFAOYSA-N 0 0 381.226 4.865 50 0 GJAARN Cc1cc(NC(=O)Nc2cccc(Cl)c2)c(O)c(-n2nc3ccccc3n2)c1 ZINC000001425367 570262749 /nfs/dbraw/zinc/26/27/49/570262749.db2.gz YCTCTWAAHCJCJI-UHFFFAOYSA-N 0 0 393.834 4.732 50 0 GJAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 ZINC000001426311 570262834 /nfs/dbraw/zinc/26/28/34/570262834.db2.gz HGWMJIRPGPPWJK-DEOSSOPVSA-N 0 0 397.478 4.521 50 0 GJAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1cccc(Cl)c1 ZINC000085988188 570264568 /nfs/dbraw/zinc/26/45/68/570264568.db2.gz LENJXBCIVIIOIH-MAUKXSAKSA-N 0 0 377.271 4.512 50 0 GJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1Cl ZINC000012854689 570267193 /nfs/dbraw/zinc/26/71/93/570267193.db2.gz GXYJEHXOCYYNLH-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN O=C(CSc1nccn1Cc1ccccc1Cl)Nc1ccc(F)cc1F ZINC000015825471 570267530 /nfs/dbraw/zinc/26/75/30/570267530.db2.gz VUUDZLBIYVNVMO-UHFFFAOYSA-N 0 0 393.846 4.594 50 0 GJAARN CCOC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1CCC2 ZINC000001772504 570268064 /nfs/dbraw/zinc/26/80/64/570268064.db2.gz BFQSJNKOZYVRHL-UHFFFAOYSA-N 0 0 387.501 4.520 50 0 GJAARN CCOC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC000001886757 570269717 /nfs/dbraw/zinc/26/97/17/570269717.db2.gz ABLIZGCNWVZVEZ-UHFFFAOYSA-N 0 0 396.270 4.968 50 0 GJAARN Nc1c(Cl)cc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1Cl ZINC000046438489 570270028 /nfs/dbraw/zinc/27/00/28/570270028.db2.gz QJYHXFMNMHQWFO-OWOJBTEDSA-N 0 0 387.679 4.590 50 0 GJAARN Fc1ccc(-n2ncc3c2ncnc3SCCCOc2ccccc2)cc1 ZINC000001891261 570270167 /nfs/dbraw/zinc/27/01/67/570270167.db2.gz ZPTBFLWHZRJYML-UHFFFAOYSA-N 0 0 380.448 4.516 50 0 GJAARN Cn1c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020603839 570270670 /nfs/dbraw/zinc/27/06/70/570270670.db2.gz AMUAMZLHZLTLSY-UHFFFAOYSA-N 0 0 393.434 4.974 50 0 GJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CC)c3n2)s1 ZINC000020605664 570270928 /nfs/dbraw/zinc/27/09/28/570270928.db2.gz IOAMHDDHXIBWLY-UHFFFAOYSA-N 0 0 385.436 4.784 50 0 GJAARN O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCC[C@H]1c1cccs1 ZINC000049757644 570272185 /nfs/dbraw/zinc/27/21/85/570272185.db2.gz LSLCSXBTCOGEEP-PXNSSMCTSA-N 0 0 390.508 4.618 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)s1)c1ccco1 ZINC000049764859 570272267 /nfs/dbraw/zinc/27/22/67/570272267.db2.gz ZROCLVUYEVJNGP-INIZCTEOSA-N 0 0 395.484 4.746 50 0 GJAARN CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000002031446 570272362 /nfs/dbraw/zinc/27/23/62/570272362.db2.gz BSZZVQSBHVBKMH-UHFFFAOYSA-N 0 0 392.238 4.751 50 0 GJAARN O=C(c1cc2c(s1)-c1ccccc1CC2)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000114135942 570273489 /nfs/dbraw/zinc/27/34/89/570273489.db2.gz NKKMNJWGPRTFPM-IBGZPJMESA-N 0 0 390.508 4.735 50 0 GJAARN COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002080113 570273622 /nfs/dbraw/zinc/27/36/22/570273622.db2.gz YANAHGKASIYAEB-UHFFFAOYSA-N 0 0 384.259 4.808 50 0 GJAARN CCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCC)Nc1ccccc1-2 ZINC000002095801 570274578 /nfs/dbraw/zinc/27/45/78/570274578.db2.gz OASXHIVHHDGWLP-IBGZPJMESA-N 0 0 394.500 4.943 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2)sc2c1CCCC2 ZINC000002091823 570274605 /nfs/dbraw/zinc/27/46/05/570274605.db2.gz AVPRQJPAOKWVKM-MRXNPFEDSA-N 0 0 387.501 4.600 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)N[C@@H](C)c4ccccc4)csc3n2)cc1 ZINC000005147196 570274894 /nfs/dbraw/zinc/27/48/94/570274894.db2.gz GYHNZOLIJSNSGI-INIZCTEOSA-N 0 0 375.497 4.791 50 0 GJAARN Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000020686533 570275118 /nfs/dbraw/zinc/27/51/18/570275118.db2.gz HPWMLOPGFCCADN-UHFFFAOYSA-N 0 0 393.487 4.731 50 0 GJAARN CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020714834 570275457 /nfs/dbraw/zinc/27/54/57/570275457.db2.gz NCNQEQCMKMEYDP-QFIPXVFZSA-N 0 0 390.527 4.511 50 0 GJAARN O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000005763614 570275896 /nfs/dbraw/zinc/27/58/96/570275896.db2.gz GUQPHVVKQDFQQW-KRWDZBQOSA-N 0 0 375.469 4.635 50 0 GJAARN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCC(c4nc5ccccc5o4)CC3)c2c1 ZINC000020724069 570276669 /nfs/dbraw/zinc/27/66/69/570276669.db2.gz HDPBPKOPJXRPBJ-OAQYLSRUSA-N 0 0 389.455 4.623 50 0 GJAARN CNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000643887 570279682 /nfs/dbraw/zinc/27/96/82/570279682.db2.gz KEBYDWZXIXAMQF-ZDUSSCGKSA-N 0 0 388.508 4.650 50 0 GJAARN COc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCc1ccccc1 ZINC000000647274 570280272 /nfs/dbraw/zinc/28/02/72/570280272.db2.gz IPLFKZPSRVHJJM-KGENOOAVSA-N 0 0 399.446 4.927 50 0 GJAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)c(OC)c1 ZINC000002271265 570280657 /nfs/dbraw/zinc/28/06/57/570280657.db2.gz DFIKORFSKDUDBB-OAQYLSRUSA-N 0 0 378.403 4.614 50 0 GJAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000006175866 570281110 /nfs/dbraw/zinc/28/11/10/570281110.db2.gz MVGHVTPONJTSTG-KRWDZBQOSA-N 0 0 383.662 4.614 50 0 GJAARN COc1cc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)ccc1O ZINC000020851384 570282355 /nfs/dbraw/zinc/28/23/55/570282355.db2.gz VEOGJBJZTAQPHQ-CQSZACIVSA-N 0 0 398.256 4.791 50 0 GJAARN COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1 ZINC000002351359 570283911 /nfs/dbraw/zinc/28/39/11/570283911.db2.gz BXRDRFAACQWCQV-SFHVURJKSA-N 0 0 383.451 4.626 50 0 GJAARN c1coc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccs2)c1 ZINC000002394916 570285878 /nfs/dbraw/zinc/28/58/78/570285878.db2.gz MEDYPNIEHPZTRE-UHFFFAOYSA-N 0 0 393.497 4.817 50 0 GJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1cccc(Br)c1 ZINC000012890907 570286220 /nfs/dbraw/zinc/28/62/20/570286220.db2.gz VIRRIAVSNQPLQW-UHFFFAOYSA-N 0 0 399.292 4.904 50 0 GJAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000012891590 570286237 /nfs/dbraw/zinc/28/62/37/570286237.db2.gz PQHHTYXCIIFRGJ-UHFFFAOYSA-N 0 0 393.424 4.809 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)NCc4ccc(C)cc4)c(N)c3cc2C1 ZINC000000661948 570287187 /nfs/dbraw/zinc/28/71/87/570287187.db2.gz 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570291724 /nfs/dbraw/zinc/29/17/24/570291724.db2.gz XOVOKWMGJCUAOS-DJJJIMSYSA-N 0 0 377.469 4.598 50 0 GJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1SCC(F)(F)F ZINC000012912897 570292305 /nfs/dbraw/zinc/29/23/05/570292305.db2.gz QVWONJFNUYBYCH-UHFFFAOYSA-N 0 0 383.391 4.641 50 0 GJAARN COc1ccc(CN(C(=O)c2cc(C)n(Cc3ccco3)c2C)C2CC2)cc1 ZINC000021557415 570292320 /nfs/dbraw/zinc/29/23/20/570292320.db2.gz BYXPCEMIJXKJAF-UHFFFAOYSA-N 0 0 378.472 4.560 50 0 GJAARN Cc1ccc([C@H]2c3ccccc3CCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000023326105 570293681 /nfs/dbraw/zinc/29/36/81/570293681.db2.gz QOGLPXHUYGPHAY-QHCPKHFHSA-N 0 0 386.451 4.903 50 0 GJAARN O=C(N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccs1 ZINC000002678219 570294782 /nfs/dbraw/zinc/29/47/82/570294782.db2.gz MXHXEDFBKLLCIS-GFCCVEGCSA-N 0 0 384.115 4.940 50 0 GJAARN COc1ccc([C@H](NCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2)cc1 ZINC000012920926 570294864 /nfs/dbraw/zinc/29/48/64/570294864.db2.gz BWWCGMCKRBVLEJ-RUZDIDTESA-N 0 0 386.495 4.502 50 0 GJAARN COc1ccc(Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1 ZINC000002686565 570295129 /nfs/dbraw/zinc/29/51/29/570295129.db2.gz UVGQCXVGBXAKND-UHFFFAOYSA-N 0 0 394.905 4.690 50 0 GJAARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccc2c(c1)OCO2 ZINC000021790257 570295805 /nfs/dbraw/zinc/29/58/05/570295805.db2.gz YNPQVOXYZASTQZ-UHFFFAOYSA-N 0 0 396.855 4.555 50 0 GJAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c1 ZINC000021795395 570296214 /nfs/dbraw/zinc/29/62/14/570296214.db2.gz MKNVGHQRCMMAOT-UHFFFAOYSA-N 0 0 376.464 4.547 50 0 GJAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c(F)c1 ZINC000012928143 570298292 /nfs/dbraw/zinc/29/82/92/570298292.db2.gz CUAMJLQSQOOIHL-QFIPXVFZSA-N 0 0 380.488 4.782 50 0 GJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H](C)c3ccccc3)c12 ZINC000021960673 570300519 /nfs/dbraw/zinc/30/05/19/570300519.db2.gz QLQZVZXIHCRQQK-CYBMUJFWSA-N 0 0 375.403 4.828 50 0 GJAARN COc1cccc(COc2ccc(-c3nc(C(=O)NCC(C)C)cs3)cc2)c1 ZINC000034711952 570303409 /nfs/dbraw/zinc/30/34/09/570303409.db2.gz 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/nfs/dbraw/zinc/30/84/01/570308401.db2.gz NRRQFFPAPSJUSF-KBPBESRZSA-N 0 0 382.342 4.915 50 0 GJAARN C[C@H]1c2ccsc2CCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000022242260 570310161 /nfs/dbraw/zinc/31/01/61/570310161.db2.gz KDDCRVRIXXKMCY-NSHDSACASA-N 0 0 379.407 4.936 50 0 GJAARN Cc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(C)cc1 ZINC000004835844 570310973 /nfs/dbraw/zinc/31/09/73/570310973.db2.gz ZODDSFXGSCRDNS-UHFFFAOYSA-N 0 0 381.545 4.762 50 0 GJAARN CCC(C)(C)c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(Cl)c1 ZINC000002862602 570311708 /nfs/dbraw/zinc/31/17/08/570311708.db2.gz NTGPIDZHGRSUQA-UHFFFAOYSA-N 0 0 380.916 4.517 50 0 GJAARN CCCCC1CCC(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1 ZINC000002866573 570312566 /nfs/dbraw/zinc/31/25/66/570312566.db2.gz SVAPNLHNCQOACB-UHFFFAOYSA-N 0 0 394.562 4.635 50 0 GJAARN COc1ccccc1CCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000002867524 570312917 /nfs/dbraw/zinc/31/29/17/570312917.db2.gz XKPCILKJJOOPPD-UHFFFAOYSA-N 0 0 386.451 4.784 50 0 GJAARN Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl ZINC000007073577 570312932 /nfs/dbraw/zinc/31/29/32/570312932.db2.gz BYBGERNVEMMUCA-MDZDMXLPSA-N 0 0 382.891 4.539 50 0 GJAARN CCc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 ZINC000002874687 570314411 /nfs/dbraw/zinc/31/44/11/570314411.db2.gz AQZAMHMYPMCDJZ-MRXNPFEDSA-N 0 0 394.418 4.709 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1I ZINC000002881790 570315622 /nfs/dbraw/zinc/31/56/22/570315622.db2.gz SXGGDGYEVUKCHS-UHFFFAOYSA-N 0 0 389.595 4.644 50 0 GJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 ZINC000000755313 570316884 /nfs/dbraw/zinc/31/68/84/570316884.db2.gz HMVMNSFKTRYDCZ-UHFFFAOYSA-N 0 0 386.542 4.719 50 0 GJAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccccc3)cc2F)n1 ZINC000034722954 570317694 /nfs/dbraw/zinc/31/76/94/570317694.db2.gz IJQAGLVBERWMRM-UHFFFAOYSA-N 0 0 382.460 4.668 50 0 GJAARN CSc1ccc(C)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000012949849 570318105 /nfs/dbraw/zinc/31/81/05/570318105.db2.gz CJIBVCIJSVLTDL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/32/19/67/570321967.db2.gz WZWIRYURYCQKJL-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN Cc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002984506 570322964 /nfs/dbraw/zinc/32/29/64/570322964.db2.gz RFKGPDPZBDOSDU-UHFFFAOYSA-N 0 0 390.357 4.514 50 0 GJAARN C/C=C/c1ccc(OCCOCCOc2ccccc2OC(C)C)c(OC)c1 ZINC000002987058 570323328 /nfs/dbraw/zinc/32/33/28/570323328.db2.gz YTTNNMKQUBTPNE-VMPITWQZSA-N 0 0 386.488 4.990 50 0 GJAARN CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000035318748 570325267 /nfs/dbraw/zinc/32/52/67/570325267.db2.gz XUTJCFHVOWANKY-WOJBJXKFSA-N 0 0 375.472 4.902 50 0 GJAARN CC(C)(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1 ZINC000003000174 570325464 /nfs/dbraw/zinc/32/54/64/570325464.db2.gz QZELWQXXIXSDCQ-UHFFFAOYSA-N 0 0 376.294 4.555 50 0 GJAARN c1ccc(CSc2nnc3c(n2)O[C@@H](c2cccnc2)Nc2ccccc2-3)cc1 ZINC000003002034 570325491 /nfs/dbraw/zinc/32/54/91/570325491.db2.gz ANDJTOAKLHGVET-FQEVSTJZSA-N 0 0 399.479 4.729 50 0 GJAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)cc1)C1CCC1 ZINC000034733989 570326188 /nfs/dbraw/zinc/32/61/88/570326188.db2.gz IIFMPKXJVVKBOK-UHFFFAOYSA-N 0 0 399.441 4.536 50 0 GJAARN COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2ccc(C)cc2C)s1 ZINC000032947470 570326264 /nfs/dbraw/zinc/32/62/64/570326264.db2.gz KIQCZUYNUJFFKH-UHFFFAOYSA-N 0 0 387.892 4.979 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000003041269 570326765 /nfs/dbraw/zinc/32/67/65/570326765.db2.gz VBFPALVWODRKFN-UHFFFAOYSA-N 0 0 388.254 4.847 50 0 GJAARN CN(Cc1cccs1)C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000007706544 570326788 /nfs/dbraw/zinc/32/67/88/570326788.db2.gz BLLBRLWGAWIFLR-UHFFFAOYSA-N 0 0 393.537 4.838 50 0 GJAARN CCc1ccc(C(=O)[C@@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000026436247 570327178 /nfs/dbraw/zinc/32/71/78/570327178.db2.gz UTQMTDFYADHQHN-ACJLOTCBSA-N 0 0 396.468 4.508 50 0 GJAARN COc1cc(CNC(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000003073517 570327551 /nfs/dbraw/zinc/32/75/51/570327551.db2.gz 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CCOc1ccc(/C=C2/N=C(SCC)N(c3ccccc3)C2=O)cc1OC ZINC000004883202 570355922 /nfs/dbraw/zinc/35/59/22/570355922.db2.gz YRBVKQYQNZVWKI-GHRIWEEISA-N 0 0 382.485 4.591 50 0 GJAARN CSC1=N/C(=C/c2cc(Br)cs2)C(=O)N1c1ccccc1 ZINC000004883168 570355980 /nfs/dbraw/zinc/35/59/80/570355980.db2.gz LZIIQYQTPFFHSO-MDWZMJQESA-N 0 0 379.304 4.617 50 0 GJAARN Cc1cccc(Nc2nc(C(=O)N3CCc4ccccc43)nc3ccccc32)c1 ZINC000035429649 570357771 /nfs/dbraw/zinc/35/77/71/570357771.db2.gz ZCWKBJSBEHAOOA-UHFFFAOYSA-N 0 0 380.451 4.885 50 0 GJAARN Cc1ccc(S(=O)(=O)Oc2c3c(ccc2C)[C@H]2c4ccccc4C[C@@H]2N3)cc1 ZINC000004114308 570357958 /nfs/dbraw/zinc/35/79/58/570357958.db2.gz DLDDWBXKFOARQU-LEWJYISDSA-N 0 0 391.492 4.553 50 0 GJAARN CCOc1ccccc1CNC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429984 570358087 /nfs/dbraw/zinc/35/80/87/570358087.db2.gz JTEKOJQYBLBMOP-UHFFFAOYSA-N 0 0 398.466 4.702 50 0 GJAARN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008156084 570360138 /nfs/dbraw/zinc/36/01/38/570360138.db2.gz 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570364450 /nfs/dbraw/zinc/36/44/50/570364450.db2.gz GFFFTFAJIUKHPH-UHFFFAOYSA-N 0 0 395.499 4.665 50 0 GJAARN C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)Cc1ccccc1Cl ZINC000575618706 570364775 /nfs/dbraw/zinc/36/47/75/570364775.db2.gz BFRXYUSIEGZUOD-ZDUSSCGKSA-N 0 0 379.934 4.605 50 0 GJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000035476406 570365490 /nfs/dbraw/zinc/36/54/90/570365490.db2.gz UJAVMUMSZSHCLI-HXUWFJFHSA-N 0 0 375.921 4.745 50 0 GJAARN CCc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000035477255 570365859 /nfs/dbraw/zinc/36/58/59/570365859.db2.gz LRWDPQYDPISLKU-QGZVFWFLSA-N 0 0 397.521 4.617 50 0 GJAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccc(F)cc2)n1C1CC1 ZINC000035477243 570366009 /nfs/dbraw/zinc/36/60/09/570366009.db2.gz MUWMMNOSAWNQIV-UHFFFAOYSA-N 0 0 397.504 4.903 50 0 GJAARN Cc1nccn1CC1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1 ZINC000219545876 570366330 /nfs/dbraw/zinc/36/63/30/570366330.db2.gz PPFVGUIPDFAZPQ-UHFFFAOYSA-N 0 0 377.463 4.550 50 0 GJAARN COc1ccccc1C1(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)CC1 ZINC000575619205 570366952 /nfs/dbraw/zinc/36/69/52/570366952.db2.gz IQYIIRFYAOANCU-UHFFFAOYSA-N 0 0 387.483 4.565 50 0 GJAARN CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2cccs2)cc1 ZINC000575619310 570367296 /nfs/dbraw/zinc/36/72/96/570367296.db2.gz CRKGSYLZYNJPEU-UHFFFAOYSA-N 0 0 383.542 4.565 50 0 GJAARN Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1ccc2ccccc2c1 ZINC000023637170 570367559 /nfs/dbraw/zinc/36/75/59/570367559.db2.gz SEWPRTXOXVZUHS-MRXNPFEDSA-N 0 0 379.481 4.811 50 0 GJAARN Cn1cc([C@H]2CN(C(=O)c3ccc(-c4cccs4)cc3)Cc3ccccc32)cn1 ZINC000575619622 570367958 /nfs/dbraw/zinc/36/79/58/570367958.db2.gz NTGFCMULKUSSMO-JOCHJYFZSA-N 0 0 399.519 4.937 50 0 GJAARN Cn1cc([C@@H]2CN(C(=O)c3ccc(-c4cccs4)cc3)Cc3ccccc32)cn1 ZINC000575619625 570368028 /nfs/dbraw/zinc/36/80/28/570368028.db2.gz NTGFCMULKUSSMO-QFIPXVFZSA-N 0 0 399.519 4.937 50 0 GJAARN COc1ccc(OC)c([C@@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000010287120 570372374 /nfs/dbraw/zinc/37/23/74/570372374.db2.gz PJEOPQIITYMPLX-ZUOKHONESA-N 0 0 388.895 4.869 50 0 GJAARN CN(Cc1ccc(Cl)s1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000023841079 570373205 /nfs/dbraw/zinc/37/32/05/570373205.db2.gz JKXLJNBVYPSYNS-UHFFFAOYSA-N 0 0 391.953 4.615 50 0 GJAARN O=C(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000004395051 570373757 /nfs/dbraw/zinc/37/37/57/570373757.db2.gz ADRSXCJPNVWPCV-UHFFFAOYSA-N 0 0 381.278 4.527 50 0 GJAARN Cc1nc(C(C)(C)NC(=O)Nc2ccc(F)cc2C(F)(F)F)sc1C ZINC000150853811 570374074 /nfs/dbraw/zinc/37/40/74/570374074.db2.gz IXSGDCUFCAZVAA-UHFFFAOYSA-N 0 0 375.391 4.975 50 0 GJAARN C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCc2ccccc2C1 ZINC000023909382 570374930 /nfs/dbraw/zinc/37/49/30/570374930.db2.gz QXPJDRALLALXBY-CYBMUJFWSA-N 0 0 393.537 4.832 50 0 GJAARN CCOc1ccc(CNC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1 ZINC000004939591 570375897 /nfs/dbraw/zinc/37/58/97/570375897.db2.gz WHWDVRJMYSHLJQ-UHFFFAOYSA-N 0 0 393.464 4.645 50 0 GJAARN COc1cc(CN[C@H](C)c2ccccc2Br)cc(Cl)c1OC ZINC000022777726 570377290 /nfs/dbraw/zinc/37/72/90/570377290.db2.gz IMMKIBGHYUGSAN-LLVKDONJSA-N 0 0 384.701 4.971 50 0 GJAARN CCc1cc2c(ncnc2Sc2nnc(-c3ccccc3OC)n2CC)s1 ZINC000024060336 570378247 /nfs/dbraw/zinc/37/82/47/570378247.db2.gz BNILQQSGGVYAFX-UHFFFAOYSA-N 0 0 397.529 4.692 50 0 GJAARN Cc1nc(-c2ccc(Oc3nc(-c4ccncc4)nc4ccccc43)cc2)no1 ZINC000024102872 570378759 /nfs/dbraw/zinc/37/87/59/570378759.db2.gz PYIVQYXEEQQCDW-UHFFFAOYSA-N 0 0 381.395 4.843 50 0 GJAARN O=C(C(=O)N1CCCCCC1)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000004949118 570379351 /nfs/dbraw/zinc/37/93/51/570379351.db2.gz MSPAUTPLWYBYNV-UHFFFAOYSA-N 0 0 380.875 4.845 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 ZINC000004949619 570379670 /nfs/dbraw/zinc/37/96/70/570379670.db2.gz PCJNSRPESZRNQQ-JOCHJYFZSA-N 0 0 383.451 4.620 50 0 GJAARN Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000024963965 570380992 /nfs/dbraw/zinc/38/09/92/570380992.db2.gz 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570385916 /nfs/dbraw/zinc/38/59/16/570385916.db2.gz NTBXGURVXCFBJM-UHFFFAOYSA-N 0 0 377.444 4.711 50 0 GJAARN O=C(NCCc1ccccc1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000004971313 570386459 /nfs/dbraw/zinc/38/64/59/570386459.db2.gz PWJIAUFTNSOWAK-UHFFFAOYSA-N 0 0 378.472 4.863 50 0 GJAARN C[C@@H]1Sc2ccc(C(=O)N3CC[C@@H](C)Sc4ccccc43)cc2NC1=O ZINC000024584826 570386784 /nfs/dbraw/zinc/38/67/84/570386784.db2.gz CRUVAIRCCBPSNP-OLZOCXBDSA-N 0 0 384.526 4.650 50 0 GJAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1Cl ZINC000010958892 570388476 /nfs/dbraw/zinc/38/84/76/570388476.db2.gz UEOPYXXPVMKLEQ-UHFFFAOYSA-N 0 0 395.768 4.805 50 0 GJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCc1ccc2c(c1)OCO2 ZINC000024699603 570389955 /nfs/dbraw/zinc/38/99/55/570389955.db2.gz BRMPWYAZEWRJFX-UHFFFAOYSA-N 0 0 399.450 4.610 50 0 GJAARN COc1cccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)c1 ZINC000035534854 570390113 /nfs/dbraw/zinc/39/01/13/570390113.db2.gz SHHPSOBZPZVZPN-UHFFFAOYSA-N 0 0 385.876 4.607 50 0 GJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(F)cc1 ZINC000006340630 570390146 /nfs/dbraw/zinc/39/01/46/570390146.db2.gz FUKYSPULRXQPDU-HXUWFJFHSA-N 0 0 396.849 4.979 50 0 GJAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ccc(C)cc1 ZINC000035536384 570390463 /nfs/dbraw/zinc/39/04/63/570390463.db2.gz FNBMTOGNLPQZIF-UHFFFAOYSA-N 0 0 385.261 4.651 50 0 GJAARN COc1ccc(-c2nnc(-c3cccnc3NCc3ccccc3F)o2)cc1 ZINC000035537526 570390836 /nfs/dbraw/zinc/39/08/36/570390836.db2.gz MFUOPZJUDDGBRP-UHFFFAOYSA-N 0 0 376.391 4.558 50 0 GJAARN O=C(NC1CC1)c1cc(NCc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000024753607 570391228 /nfs/dbraw/zinc/39/12/28/570391228.db2.gz NRKKGLQLSJZEAL-UHFFFAOYSA-N 0 0 385.389 4.758 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2noc(C3CCCC3)n2)c1 ZINC000035539895 570391819 /nfs/dbraw/zinc/39/18/19/570391819.db2.gz NJKKEJAYIXLWMK-HNNXBMFYSA-N 0 0 377.444 4.800 50 0 GJAARN C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000024760727 570391932 /nfs/dbraw/zinc/39/19/32/570391932.db2.gz 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O=C(CCSc1nccc(C(F)(F)F)n1)Nc1c(Cl)cccc1Cl ZINC000024988307 570402004 /nfs/dbraw/zinc/40/20/04/570402004.db2.gz FHSUWBWUQFNWQB-UHFFFAOYSA-N 0 0 396.221 4.923 50 0 GJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000004749678 570402530 /nfs/dbraw/zinc/40/25/30/570402530.db2.gz AQCCYFHHPBQIDM-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000025055423 570404393 /nfs/dbraw/zinc/40/43/93/570404393.db2.gz BYGXUKPMSZNFGP-UHFFFAOYSA-N 0 0 375.428 4.520 50 0 GJAARN Cc1onc(-c2ccccn2)c1C(=O)NCC1(c2ccccc2Cl)CCC1 ZINC000121302578 570405469 /nfs/dbraw/zinc/40/54/69/570405469.db2.gz IDYBFMBAVGCQMM-UHFFFAOYSA-N 0 0 381.863 4.550 50 0 GJAARN Cc1cc(=O)oc2cc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)ccc12 ZINC000005051150 570406159 /nfs/dbraw/zinc/40/61/59/570406159.db2.gz KQDRSLJDUGHLLG-UHFFFAOYSA-N 0 0 389.432 4.975 50 0 GJAARN O=C(Cc1csc(-c2ccccn2)n1)NC1CCC(c2ccccc2)CC1 ZINC000025098586 570406175 /nfs/dbraw/zinc/40/61/75/570406175.db2.gz 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GJAARN COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583318 570416295 /nfs/dbraw/zinc/41/62/95/570416295.db2.gz NWOGZKVGKUPAQP-ZJSXRUAMSA-N 0 0 386.451 4.946 50 0 GJAARN CCOc1ccc([C@H](NC(=O)/C=C\c2ccco2)c2ccc(OC)cc2)cc1 ZINC000033784085 570416689 /nfs/dbraw/zinc/41/66/89/570416689.db2.gz LXGXNDDXJHNRIE-HVMBHNBBSA-N 0 0 377.440 4.606 50 0 GJAARN CN(Cc1ccsc1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011710484 570417721 /nfs/dbraw/zinc/41/77/21/570417721.db2.gz GLBYNPQHTUGICO-UHFFFAOYSA-N 0 0 375.453 4.737 50 0 GJAARN CC(=O)N[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000013018768 570419103 /nfs/dbraw/zinc/41/91/03/570419103.db2.gz GYXSNTUBUAKWKU-INIZCTEOSA-N 0 0 384.785 4.565 50 0 GJAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1OC ZINC000025781809 570419441 /nfs/dbraw/zinc/41/94/41/570419441.db2.gz XFZIGCVQWKSTKY-JTSKRJEESA-N 0 0 376.412 4.539 50 0 GJAARN COc1ccc(C)cc1N(C)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000004953746 570419758 /nfs/dbraw/zinc/41/97/58/570419758.db2.gz HIZRRGCPGFLPHN-UHFFFAOYSA-N 0 0 392.480 4.645 50 0 GJAARN OCCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 ZINC000252669152 570419970 /nfs/dbraw/zinc/41/99/70/570419970.db2.gz GQJFGCPSLOTCPL-UHFFFAOYSA-N 0 0 389.318 4.594 50 0 GJAARN Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl ZINC000001789713 570425080 /nfs/dbraw/zinc/42/50/80/570425080.db2.gz KTYLTZZQFBPZBC-UHFFFAOYSA-N 0 0 385.707 4.911 50 0 GJAARN CCOc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c(O)c1 ZINC000005142167 570425997 /nfs/dbraw/zinc/42/59/97/570425997.db2.gz KRKIKLQGPHVEOX-UHFFFAOYSA-N 0 0 375.222 4.736 50 0 GJAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3F)nc2c1 ZINC000005142297 570426001 /nfs/dbraw/zinc/42/60/01/570426001.db2.gz WGZDMJJMVZQBES-UHFFFAOYSA-N 0 0 393.443 4.686 50 0 GJAARN c1sc(-c2ccccc2)nc1CSc1nnc2c3ccccc3[nH]c2n1 ZINC000006454535 570426139 /nfs/dbraw/zinc/42/61/39/570426139.db2.gz FDEYPJKLCZSHMZ-UHFFFAOYSA-N 0 0 375.482 4.922 50 0 GJAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc5c(c4)OCO5)c23)C1 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ZINC000011913971 570446881 /nfs/dbraw/zinc/44/68/81/570446881.db2.gz NKMJDRWFSOGIOH-UHFFFAOYSA-N 0 0 377.400 4.831 50 0 GJAARN Cc1cc2c3nnc(SCC(=O)Nc4cccc(Cl)c4)nc3[nH]c2c(C)c1 ZINC000005577834 570447183 /nfs/dbraw/zinc/44/71/83/570447183.db2.gz UZBFZUYHJIOYDE-UHFFFAOYSA-N 0 0 397.891 4.507 50 0 GJAARN COc1ccc(-c2cc(NC(=O)c3oc4cc(C)ccc4c3C)on2)cc1OC ZINC000027985575 570447531 /nfs/dbraw/zinc/44/75/31/570447531.db2.gz LJBOGFHUCJEKEX-UHFFFAOYSA-N 0 0 392.411 4.974 50 0 GJAARN COc1ccc(C(=O)OCCNc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000001912351 570447962 /nfs/dbraw/zinc/44/79/62/570447962.db2.gz QBNUCDCGANUAGC-UHFFFAOYSA-N 0 0 399.450 4.574 50 0 GJAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1cc(=O)c2ccccc2o1 ZINC000027990851 570448316 /nfs/dbraw/zinc/44/83/16/570448316.db2.gz IFLZFXBXHOMXBL-UHFFFAOYSA-N 0 0 379.437 4.599 50 0 GJAARN Cc1c2ccccc2oc1C(=O)Nc1nonc1-c1ccc(Br)cc1 ZINC000027989999 570448352 /nfs/dbraw/zinc/44/83/52/570448352.db2.gz DUPGJFDCVVQXLU-UHFFFAOYSA-N 0 0 398.216 4.806 50 0 GJAARN CC(N=Nc1nc2ccccc2c(-c2ccccc2)n1)c1ccc2c(c1)OCO2 ZINC000252452593 570448819 /nfs/dbraw/zinc/44/88/19/570448819.db2.gz QMKAVCNXWHBUAF-UHFFFAOYSA-N 0 0 382.423 4.862 50 0 GJAARN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc2cc(C)c3ccccc3n21 ZINC000001924431 570450017 /nfs/dbraw/zinc/45/00/17/570450017.db2.gz GWHPRPUYBPIPGJ-HNNXBMFYSA-N 0 0 376.485 4.619 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000011999096 570452997 /nfs/dbraw/zinc/45/29/97/570452997.db2.gz HAPBCGVNQIGXIM-UHFFFAOYSA-N 0 0 392.846 4.582 50 0 GJAARN CCc1ccc([C@@H]2c3c(C)[nH]nc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000008024921 570453249 /nfs/dbraw/zinc/45/32/49/570453249.db2.gz KBXQXOPIWXGKCU-LJQANCHMSA-N 0 0 396.288 4.793 50 0 GJAARN CC(=O)N1CCC(C(=O)Nc2nc(-c3sc4ccccc4c3C)cs2)CC1 ZINC000012005357 570453918 /nfs/dbraw/zinc/45/39/18/570453918.db2.gz NIYDMBINCAHWAP-UHFFFAOYSA-N 0 0 399.541 4.530 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000028288490 570454880 /nfs/dbraw/zinc/45/48/80/570454880.db2.gz 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ZINC000005908149 570461641 /nfs/dbraw/zinc/46/16/41/570461641.db2.gz BUWZYNWNUYYWDY-RMLUDKJBSA-N 0 0 386.304 4.641 50 0 GJAARN O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000005944159 570462542 /nfs/dbraw/zinc/46/25/42/570462542.db2.gz BZLAYBNIFQVRCU-UHFFFAOYSA-N 0 0 396.718 4.632 50 0 GJAARN C[S@](=O)Cc1cccc(C(=O)Nc2cccc(C3SCCCS3)c2)c1 ZINC000028667099 570462677 /nfs/dbraw/zinc/46/26/77/570462677.db2.gz MIWMCEVBSTZKBO-RUZDIDTESA-N 0 0 391.583 4.686 50 0 GJAARN CCOc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)cc1 ZINC000064439043 570462937 /nfs/dbraw/zinc/46/29/37/570462937.db2.gz KAYJIXGEBFCBOU-UHFFFAOYSA-N 0 0 379.460 4.685 50 0 GJAARN Cc1ccc2[nH]c(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)nc2c1 ZINC000006516891 570464734 /nfs/dbraw/zinc/46/47/34/570464734.db2.gz WBJYZAMUXPMQIH-UHFFFAOYSA-N 0 0 381.288 4.612 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000029026721 570467217 /nfs/dbraw/zinc/46/72/17/570467217.db2.gz LDQXEFDIXVUSMV-QHCPKHFHSA-N 0 0 390.483 4.911 50 0 GJAARN CCOc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1 ZINC000064471749 570467350 /nfs/dbraw/zinc/46/73/50/570467350.db2.gz MFYABPAHLBIRSJ-UHFFFAOYSA-N 0 0 393.512 4.566 50 0 GJAARN Cc1nc(SCC(=O)N[C@@H](c2cccs2)C(C)C)[nH]c1Cc1ccccc1 ZINC000029239923 570470850 /nfs/dbraw/zinc/47/08/50/570470850.db2.gz WHDLBXHXSXHSPY-HXUWFJFHSA-N 0 0 399.585 4.976 50 0 GJAARN Cc1c(C(=O)Nc2ccc(SCc3cccnc3)cc2)[nH]c2c1C(=O)CCC2 ZINC000029357805 570472790 /nfs/dbraw/zinc/47/27/90/570472790.db2.gz NAOVGAULNXHJEN-UHFFFAOYSA-N 0 0 391.496 4.782 50 0 GJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1Cl ZINC000006549858 570473112 /nfs/dbraw/zinc/47/31/12/570473112.db2.gz GSNDISLZZCLZBW-UHFFFAOYSA-N 0 0 384.892 4.529 50 0 GJAARN Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000005164841 570473693 /nfs/dbraw/zinc/47/36/93/570473693.db2.gz XYTJWHSFAGZGJR-XXBNENTESA-N 0 0 388.398 4.797 50 0 GJAARN COc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)c(OC)c1 ZINC000029441525 570473645 /nfs/dbraw/zinc/47/36/45/570473645.db2.gz 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ZINC000072289891 570483028 /nfs/dbraw/zinc/48/30/28/570483028.db2.gz OVNAEPGOVKORSW-INIZCTEOSA-N 0 0 382.485 4.708 50 0 GJAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000006580910 570483246 /nfs/dbraw/zinc/48/32/46/570483246.db2.gz IMZILSSIXVFLJH-UHFFFAOYSA-N 0 0 396.368 4.898 50 0 GJAARN COc1cccc2c(Nc3cc(F)cc(F)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568494 570483606 /nfs/dbraw/zinc/48/36/06/570483606.db2.gz QHDRJJANWNGSPT-UHFFFAOYSA-N 0 0 397.425 4.891 50 0 GJAARN CCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)s1 ZINC000006574243 570483807 /nfs/dbraw/zinc/48/38/07/570483807.db2.gz UMKPHTYMPCUQSM-UHFFFAOYSA-N 0 0 390.512 4.542 50 0 GJAARN O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc2c(s1)CCCCCC2 ZINC000030129193 570486191 /nfs/dbraw/zinc/48/61/91/570486191.db2.gz GCJSTJWAKNWIAL-UHFFFAOYSA-N 0 0 382.529 4.782 50 0 GJAARN COC(=O)c1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000030210240 570486567 /nfs/dbraw/zinc/48/65/67/570486567.db2.gz IPVKUOIDXCBQHJ-UHFFFAOYSA-N 0 0 375.424 4.538 50 0 GJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(cccc3F)s2)c(C)c1 ZINC000030396142 570489013 /nfs/dbraw/zinc/48/90/13/570489013.db2.gz ZOEZHTANQYBACE-UHFFFAOYSA-N 0 0 384.476 4.676 50 0 GJAARN COc1ccc(-c2nc(C)c(C(=O)N(C)[C@H](C)CC(C)C)s2)cc1OC ZINC000030426295 570489113 /nfs/dbraw/zinc/48/91/13/570489113.db2.gz KOIOIEVYUPJGTA-CYBMUJFWSA-N 0 0 376.522 4.642 50 0 GJAARN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1C(F)(F)F ZINC000011070903 570489543 /nfs/dbraw/zinc/48/95/43/570489543.db2.gz BJPVMCONKPKELR-UHFFFAOYSA-N 0 0 382.769 4.738 50 0 GJAARN Cc1cccc(-c2noc(CN(C(=O)Cc3ccc(Cl)cc3)C(C)C)n2)c1 ZINC000006736955 570491227 /nfs/dbraw/zinc/49/12/27/570491227.db2.gz OFZKHXVDAFFSJW-UHFFFAOYSA-N 0 0 383.879 4.678 50 0 GJAARN CCCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3OC)s2)cc1 ZINC000006783476 570493360 /nfs/dbraw/zinc/49/33/60/570493360.db2.gz OVUVFVRYWSHQHW-UHFFFAOYSA-N 0 0 384.461 4.647 50 0 GJAARN CC(C)(C)C(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1 ZINC000006602837 570493627 /nfs/dbraw/zinc/49/36/27/570493627.db2.gz 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570503766 /nfs/dbraw/zinc/50/37/66/570503766.db2.gz AOBLYACCZFOPNZ-UHFFFAOYSA-N 0 0 395.919 4.988 50 0 GJAARN Cc1cccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N(C)C(C)C)n2)c1 ZINC000035988689 570504905 /nfs/dbraw/zinc/50/49/05/570504905.db2.gz HUQZHTBPQXYAII-SFHVURJKSA-N 0 0 388.515 4.788 50 0 GJAARN CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 ZINC000002706274 570505810 /nfs/dbraw/zinc/50/58/10/570505810.db2.gz GHVFJCQRAFBZLU-UHFFFAOYSA-N 0 0 385.562 4.859 50 0 GJAARN CC[C@@H](C)Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 ZINC000002706187 570506005 /nfs/dbraw/zinc/50/60/05/570506005.db2.gz ZJSLUKCWCVXTFS-GFCCVEGCSA-N 0 0 391.953 4.894 50 0 GJAARN COc1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1 ZINC000006623921 570508034 /nfs/dbraw/zinc/50/80/34/570508034.db2.gz STDOZXRGBBNEHQ-UHFFFAOYSA-N 0 0 391.423 4.654 50 0 biogenic GJAARN Cc1nc(C)c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)o1 ZINC000170647333 570508211 /nfs/dbraw/zinc/50/82/11/570508211.db2.gz OBBLOZJUYNWCDU-QGZVFWFLSA-N 0 0 393.874 4.988 50 0 GJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccccc3)C(=O)C(C)C)no2)c1 ZINC000036011859 570508961 /nfs/dbraw/zinc/50/89/61/570508961.db2.gz XWMRBYLLRDKWGP-UHFFFAOYSA-N 0 0 394.471 4.544 50 0 GJAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)o2)c(C)c1Cl ZINC000002761075 570511978 /nfs/dbraw/zinc/51/19/78/570511978.db2.gz JVIMXAWCENSIBQ-UHFFFAOYSA-N 0 0 382.222 4.839 50 0 GJAARN CCCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000002764585 570512608 /nfs/dbraw/zinc/51/26/08/570512608.db2.gz ITHBYUIKZKIBPH-OAHLLOKOSA-N 0 0 378.321 4.708 50 0 GJAARN CSc1cccc(NC(=O)Cn2c(C(=O)OC(C)C)cc3ccsc32)c1 ZINC000064659073 570513097 /nfs/dbraw/zinc/51/30/97/570513097.db2.gz YFZDDEOWYYYWLR-UHFFFAOYSA-N 0 0 388.514 4.629 50 0 GJAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000006647688 570515764 /nfs/dbraw/zinc/51/57/64/570515764.db2.gz WDFTTWSTQKEKDS-UHFFFAOYSA-N 0 0 380.879 4.768 50 0 GJAARN O=C(CSc1nc2cc(Cl)ccc2s1)NCCc1ccc(F)cc1 ZINC000006649348 570516107 /nfs/dbraw/zinc/51/61/07/570516107.db2.gz UPHBEJBLNOKCFE-UHFFFAOYSA-N 0 0 380.897 4.540 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)NCc4cccs4)csc3n2)cc1C ZINC000064676277 570516550 /nfs/dbraw/zinc/51/65/50/570516550.db2.gz PMSPEIAIRRIMHD-UHFFFAOYSA-N 0 0 381.526 4.600 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(OCC)cc3)cc2s1 ZINC000032959711 570516570 /nfs/dbraw/zinc/51/65/70/570516570.db2.gz XTMUCFHVJNIQJE-UHFFFAOYSA-N 0 0 397.500 4.615 50 0 GJAARN Cc1oc2ncnc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2c1C ZINC000032959811 570516732 /nfs/dbraw/zinc/51/67/32/570516732.db2.gz HDDKLZXSSXTGNS-UHFFFAOYSA-N 0 0 398.894 4.657 50 0 GJAARN COc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1NC(=O)c1ccccc1 ZINC000032998455 570517661 /nfs/dbraw/zinc/51/76/61/570517661.db2.gz HZEHTDSIFHYBEC-UHFFFAOYSA-N 0 0 378.403 4.647 50 0 GJAARN CCc1cc([C@@H]2CCCN2C(=O)c2c(C)onc2-c2ccccc2Cl)on1 ZINC000033086798 570519289 /nfs/dbraw/zinc/51/92/89/570519289.db2.gz YRLYKKCAPYDLKG-INIZCTEOSA-N 0 0 385.851 4.831 50 0 GJAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000002917630 570521306 /nfs/dbraw/zinc/52/13/06/570521306.db2.gz FJZWEZGUFVGTHH-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)N1CCc2ccccc21 ZINC000002917622 570521364 /nfs/dbraw/zinc/52/13/64/570521364.db2.gz LBMAKOVLAXIRLH-UHFFFAOYSA-N 0 0 387.917 4.540 50 0 GJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1 ZINC000033270635 570522751 /nfs/dbraw/zinc/52/27/51/570522751.db2.gz QSZKWJPXYRORNG-AWEZNQCLSA-N 0 0 378.270 4.677 50 0 GJAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000002973449 570524212 /nfs/dbraw/zinc/52/42/12/570524212.db2.gz JGJHMIONVIDABK-UHFFFAOYSA-N 0 0 388.920 4.769 50 0 GJAARN CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(OC)ccc2Cl)C1 ZINC000005235938 570524505 /nfs/dbraw/zinc/52/45/05/570524505.db2.gz OPKXUBBFFSMCNQ-CQSZACIVSA-N 0 0 383.879 4.629 50 0 GJAARN COc1ccc2ccccc2c1/C=C/[C@@]12NC(=O)CN1c1ccc(C)cc1C2(C)C ZINC000005249652 570525292 /nfs/dbraw/zinc/52/52/92/570525292.db2.gz YJBUDQYOPAHZKR-JBXKERDYSA-N 0 0 398.506 4.794 50 0 GJAARN Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065611 570526022 /nfs/dbraw/zinc/52/60/22/570526022.db2.gz NSNDGQNOGGFKDR-IBGZPJMESA-N 0 0 385.552 4.724 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1nccnc1-c1nc2ccccc2s1 ZINC000006663481 570526177 /nfs/dbraw/zinc/52/61/77/570526177.db2.gz QBEAMIFZKSONGG-UHFFFAOYSA-N 0 0 396.859 4.668 50 0 GJAARN CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CSC2)c1ccccc1 ZINC000003008288 570528037 /nfs/dbraw/zinc/52/80/37/570528037.db2.gz XZQNZQRGSOESGC-GOSISDBHSA-N 0 0 393.512 4.760 50 0 GJAARN Clc1ccc(OCc2nn3c(CSc4ccccc4)nnc3s2)cc1 ZINC000008393225 570530471 /nfs/dbraw/zinc/53/04/71/570530471.db2.gz MOQUNMITYZPADZ-UHFFFAOYSA-N 0 0 388.905 4.711 50 0 GJAARN COc1ccc(CCC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000032960629 570530735 /nfs/dbraw/zinc/53/07/35/570530735.db2.gz MKEOSNILHBBFMF-UHFFFAOYSA-N 0 0 399.494 4.928 50 0 GJAARN CN(C)c1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000032960622 570531013 /nfs/dbraw/zinc/53/10/13/570531013.db2.gz JTQRSUDSAUMECF-UHFFFAOYSA-N 0 0 384.483 4.666 50 0 GJAARN O=C(Nc1ccccc1F)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747672 570532359 /nfs/dbraw/zinc/53/23/59/570532359.db2.gz SPPYIHATUZTJSG-MRXNPFEDSA-N 0 0 388.349 4.523 50 0 GJAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)c4n[nH]c5c4CCCC5)cc3)nc2c1 ZINC000032960985 570532633 /nfs/dbraw/zinc/53/26/33/570532633.db2.gz NHKVBYDZTZWFPO-UHFFFAOYSA-N 0 0 399.498 4.511 50 0 GJAARN COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccs3)sc2c1 ZINC000005265113 570532675 /nfs/dbraw/zinc/53/26/75/570532675.db2.gz ZZGHAHNYYBOTRT-UHFFFAOYSA-N 0 0 381.482 4.608 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000005264390 570532725 /nfs/dbraw/zinc/53/27/25/570532725.db2.gz PJVKKXKMXJBHKR-UHFFFAOYSA-N 0 0 377.831 4.672 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 ZINC000072309805 570533230 /nfs/dbraw/zinc/53/32/30/570533230.db2.gz SPLAUOOUCOQQLJ-UHFFFAOYSA-N 0 0 388.475 4.655 50 0 GJAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2ccc(F)c(F)c2)CC2CC2)cc1 ZINC000006689133 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570657608 /nfs/dbraw/zinc/65/76/08/570657608.db2.gz RCPUARQDIACSEH-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN O=C1N=C(c2ccncc2)C(c2nc3ccccc3s2)[C@@H](c2ccccc2)N1 ZINC000005572273 570658124 /nfs/dbraw/zinc/65/81/24/570658124.db2.gz IMURLTYUVVVYMS-LJQANCHMSA-N 0 0 384.464 4.614 50 0 GJAARN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@H](C(=O)CC(C)C)C1 ZINC000012431233 570659704 /nfs/dbraw/zinc/65/97/04/570659704.db2.gz JXNOILKXETYPOI-HNNXBMFYSA-N 0 0 376.447 4.755 50 0 GJAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CCO)Cc1ccccc1 ZINC000012432389 570659965 /nfs/dbraw/zinc/65/99/65/570659965.db2.gz OBKBOKJMMYIRAO-UHFFFAOYSA-N 0 0 390.405 4.663 50 0 GJAARN CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2ccc(C)cc2n1 ZINC000033025954 570660944 /nfs/dbraw/zinc/66/09/44/570660944.db2.gz SXJLXUWYANZYRQ-UHFFFAOYSA-N 0 0 395.528 4.670 50 0 GJAARN O=C(Nc1ccccc1SCc1cc(=O)n2ccccc2n1)C1CCCCC1 ZINC000033026118 570661062 /nfs/dbraw/zinc/66/10/62/570661062.db2.gz NKAAHJSMXBQBDV-UHFFFAOYSA-N 0 0 393.512 4.506 50 0 GJAARN O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccccc1Oc1ccccc1 ZINC000005308621 570661620 /nfs/dbraw/zinc/66/16/20/570661620.db2.gz HESQCUSTSJVMHH-UHFFFAOYSA-N 0 0 393.464 4.825 50 0 GJAARN COc1ccc(N[C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)cc1 ZINC000012435261 570662155 /nfs/dbraw/zinc/66/21/55/570662155.db2.gz XWWHZJIETIHAGT-IBGZPJMESA-N 0 0 377.488 4.510 50 0 GJAARN CC(C)[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 ZINC000005453076 570663127 /nfs/dbraw/zinc/66/31/27/570663127.db2.gz KWGAPHOMSCHXCQ-LJQANCHMSA-N 0 0 391.414 4.576 50 0 GJAARN CN(CC[C@@H]1CCCCO1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000012439200 570663538 /nfs/dbraw/zinc/66/35/38/570663538.db2.gz GYDZRPVFRUQFET-NRFANRHFSA-N 0 0 391.515 4.641 50 0 GJAARN CC(C)CC(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006872099 570664402 /nfs/dbraw/zinc/66/44/02/570664402.db2.gz KUJSQLRVAVTNSK-HXUWFJFHSA-N 0 0 386.442 4.533 50 0 GJAARN CC(C)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006873662 570665234 /nfs/dbraw/zinc/66/52/34/570665234.db2.gz QEJOXXTUXYBAHD-LJQANCHMSA-N 0 0 388.870 4.657 50 0 GJAARN O=C(NCc1ccccc1)c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000065057902 570666595 /nfs/dbraw/zinc/66/65/95/570666595.db2.gz SHQXMLHEWNRBPD-UHFFFAOYSA-N 0 0 381.435 4.866 50 0 GJAARN COc1ccc(C=CC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000006053939 570668126 /nfs/dbraw/zinc/66/81/26/570668126.db2.gz AZJGHSGPXINJTL-MDWZMJQESA-N 0 0 384.431 4.706 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc(F)cc1Cl ZINC000013695033 570669009 /nfs/dbraw/zinc/66/90/09/570669009.db2.gz ZNVLAOGDTPCVFV-UHFFFAOYSA-N 0 0 386.854 4.811 50 0 GJAARN O=c1sc2ccccc2c2c1nc(CN1CCCCC1)n2Cc1ccccc1 ZINC000005614963 570669839 /nfs/dbraw/zinc/66/98/39/570669839.db2.gz ZGPUAZIUTWMWON-UHFFFAOYSA-N 0 0 389.524 4.645 50 0 GJAARN COc1ccc(Cl)cc1-n1c(N)c(C(=O)NC2CCCCC2)sc1=S ZINC000012416076 570669836 /nfs/dbraw/zinc/66/98/36/570669836.db2.gz MSJMWJCCJLPWFF-UHFFFAOYSA-N 0 0 397.953 4.575 50 0 GJAARN CSc1cccc(NC(=O)N2CCC(CO)(CCc3ccccc3)CC2)c1 ZINC000012470505 570672696 /nfs/dbraw/zinc/67/26/96/570672696.db2.gz ZWTMVFVGLKDJDU-UHFFFAOYSA-N 0 0 384.545 4.648 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCCC2)cc1 ZINC000012437896 570675910 /nfs/dbraw/zinc/67/59/10/570675910.db2.gz WDVLXYNFDMSMRT-UHFFFAOYSA-N 0 0 380.513 4.675 50 0 GJAARN Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CCS1 ZINC000219267133 570676216 /nfs/dbraw/zinc/67/62/16/570676216.db2.gz DUCPXFKSRUBSDR-JOCHJYFZSA-N 0 0 391.540 4.560 50 0 GJAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(C)cc(C)c4)c3)cn2n1 ZINC000012441200 570677098 /nfs/dbraw/zinc/67/70/98/570677098.db2.gz RDZLAOGYNIYWQR-UHFFFAOYSA-N 0 0 386.455 4.582 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cccs3)n2)cc1 ZINC000005636000 570677365 /nfs/dbraw/zinc/67/73/65/570677365.db2.gz YSLMMZXIJXFMKH-GFCCVEGCSA-N 0 0 386.498 4.618 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1OCC ZINC000006882228 570677731 /nfs/dbraw/zinc/67/77/31/570677731.db2.gz 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/nfs/dbraw/zinc/68/46/09/570684609.db2.gz DAGSZIKTBXAGQP-UHFFFAOYSA-N 0 0 397.866 4.662 50 0 GJAARN CC(C)N(C)c1ccc(CNc2cccc(NC(=O)c3cccs3)c2)cn1 ZINC000240555590 570685126 /nfs/dbraw/zinc/68/51/26/570685126.db2.gz GWNCDHRLIBIQRM-UHFFFAOYSA-N 0 0 380.517 4.852 50 0 GJAARN COc1cccc([C@@H](C)N(C)Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000012589048 570686138 /nfs/dbraw/zinc/68/61/38/570686138.db2.gz CNXOMKHQYYPQNL-CQSZACIVSA-N 0 0 384.451 4.999 50 0 GJAARN COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)CCc1ccccc1 ZINC000016031658 570686364 /nfs/dbraw/zinc/68/63/64/570686364.db2.gz JNKGACXEIDEDAG-IEZKXTBUSA-N 0 0 393.527 4.523 50 0 biogenic GJAARN Cc1coc(-c2ccc(C)c(NC(=O)N[C@H]3CCOc4c(C)cccc43)c2)n1 ZINC000241720953 570687452 /nfs/dbraw/zinc/68/74/52/570687452.db2.gz QTPKUUXHWFAMOY-SFHVURJKSA-N 0 0 377.444 4.912 50 0 GJAARN O=C(Nc1cccc2ccccc21)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065085138 570688573 /nfs/dbraw/zinc/68/85/73/570688573.db2.gz HIHPSGUFVMSXCY-UHFFFAOYSA-N 0 0 393.489 4.986 50 0 GJAARN CCc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)sc1C ZINC000005789018 570690240 /nfs/dbraw/zinc/69/02/40/570690240.db2.gz UCZUTCCXLPQYHF-UHFFFAOYSA-N 0 0 385.457 4.729 50 0 GJAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000012627509 570691879 /nfs/dbraw/zinc/69/18/79/570691879.db2.gz KPABTFAHEPSFPH-UHFFFAOYSA-N 0 0 397.434 4.696 50 0 GJAARN CC[C@@H](Sc1nncn2c3cc(C)oc3cc12)C(=O)Nc1ccccc1C ZINC000006894072 570693279 /nfs/dbraw/zinc/69/32/79/570693279.db2.gz RZIMHIFCDWFFDY-GOSISDBHSA-N 0 0 380.473 4.602 50 0 GJAARN O=C(CCCNC(=O)c1cccs1)Nc1ccc(Nc2ccccc2)cc1 ZINC000012631860 570693655 /nfs/dbraw/zinc/69/36/55/570693655.db2.gz HXXKDEGBOYUBJB-UHFFFAOYSA-N 0 0 379.485 4.640 50 0 GJAARN CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000012631768 570693784 /nfs/dbraw/zinc/69/37/84/570693784.db2.gz LKAOACIBDJXTKY-CQSZACIVSA-N 0 0 381.501 4.956 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c(Cl)c1 ZINC000033045147 570697861 /nfs/dbraw/zinc/69/78/61/570697861.db2.gz POIBTBWZPPMBJZ-ZDUSSCGKSA-N 0 0 386.908 4.508 50 0 GJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012696375 570698586 /nfs/dbraw/zinc/69/85/86/570698586.db2.gz ZREUTFRQWGQGFH-HZSPNIEDSA-N 0 0 390.578 4.612 50 0 GJAARN O=c1c2c(nc(SCc3cccc(F)c3)n1CCc1ccccc1)CCS2 ZINC000004358789 570698617 /nfs/dbraw/zinc/69/86/17/570698617.db2.gz SYMLFQMDBBWVSN-UHFFFAOYSA-N 0 0 398.528 4.566 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2cccc(Cl)c2)n1 ZINC000065114464 570699499 /nfs/dbraw/zinc/69/94/99/570699499.db2.gz DMIAAKUXTITARG-UHFFFAOYSA-N 0 0 398.919 4.524 50 0 GJAARN Cc1c(C(=O)Nc2cccc(Cl)c2SC(C)C)cnn1-c1ccccn1 ZINC000157540389 570701459 /nfs/dbraw/zinc/70/14/59/570701459.db2.gz QXVGTEDMTZSPBG-UHFFFAOYSA-N 0 0 386.908 4.982 50 0 GJAARN CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000057486566 570702324 /nfs/dbraw/zinc/70/23/24/570702324.db2.gz ZOLOPCPKFSUIGM-UHFFFAOYSA-N 0 0 390.418 4.545 50 0 GJAARN COc1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OC(C)C ZINC000017295227 570702491 /nfs/dbraw/zinc/70/24/91/570702491.db2.gz MDVIYNQKSMSXPL-UHFFFAOYSA-N 0 0 386.879 4.590 50 0 GJAARN COc1cc(OC)c(NC(=O)NCc2cccn2Cc2ccccc2)cc1Cl ZINC000006917693 570703541 /nfs/dbraw/zinc/70/35/41/570703541.db2.gz RSHRSCMZBVCAAA-UHFFFAOYSA-N 0 0 399.878 4.529 50 0 GJAARN CN(C)C(=O)c1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000046385225 570704404 /nfs/dbraw/zinc/70/44/04/570704404.db2.gz XHWSWUPNBLQBDH-UHFFFAOYSA-N 0 0 391.452 4.510 50 0 GJAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000017346262 570704978 /nfs/dbraw/zinc/70/49/78/570704978.db2.gz MSRGWOXQWMECLY-UHFFFAOYSA-N 0 0 382.466 4.847 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3cccc4cccnc43)n2)cc1F ZINC000018707009 570705244 /nfs/dbraw/zinc/70/52/44/570705244.db2.gz SYHFUILEBMAGFU-UHFFFAOYSA-N 0 0 379.416 4.758 50 0 GJAARN Cc1cc(C)c(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)c(C)c1 ZINC000065133871 570707014 /nfs/dbraw/zinc/70/70/14/570707014.db2.gz CQCFGTPNWDXAPX-UHFFFAOYSA-N 0 0 379.435 4.534 50 0 GJAARN COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(NC2CC2)n1 ZINC000017736130 570707456 /nfs/dbraw/zinc/70/74/56/570707456.db2.gz NSULNLLETITBOW-UHFFFAOYSA-N 0 0 379.485 4.708 50 0 GJAARN C[C@H](NC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000065136658 570707866 /nfs/dbraw/zinc/70/78/66/570707866.db2.gz QNMXMTJWXFSEBX-ZWKOTPCHSA-N 0 0 397.494 4.727 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(C)c(C)c3)c(C)s2)cs1 ZINC000065138158 570708074 /nfs/dbraw/zinc/70/80/74/570708074.db2.gz WXVAASFKQNMNCT-UHFFFAOYSA-N 0 0 392.571 4.584 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135181 570709214 /nfs/dbraw/zinc/70/92/14/570709214.db2.gz NYHBEUSCJLVVKB-GOSISDBHSA-N 0 0 377.875 4.817 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4ccc(C)c(F)c4)C3)n2)c1 ZINC000065135391 570709508 /nfs/dbraw/zinc/70/95/08/570709508.db2.gz XJUAUDNCAPZZCI-FQEVSTJZSA-N 0 0 389.474 4.919 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000065135374 570709525 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Cc1cc(C)c(-c2csc(NC(=O)Cc3cn4ccccc4n3)n2)c(C)c1 ZINC000012535911 570835819 /nfs/dbraw/zinc/83/58/19/570835819.db2.gz QTZAUIYBRRRXFQ-UHFFFAOYSA-N 0 0 376.485 4.564 50 0 GJAARN Clc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)c(Cl)c1 ZINC000007386547 570836031 /nfs/dbraw/zinc/83/60/31/570836031.db2.gz BHLJAFQFEAWYFY-UHFFFAOYSA-N 0 0 388.283 4.785 50 0 GJAARN CCn1c2ccccc2nc(-c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)c1=O ZINC000033171722 570836301 /nfs/dbraw/zinc/83/63/01/570836301.db2.gz WXPTVNBTJVQPEI-UHFFFAOYSA-N 0 0 397.478 4.953 50 0 GJAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101836534 570837202 /nfs/dbraw/zinc/83/72/02/570837202.db2.gz QEHMMTDTBAELKE-GOSISDBHSA-N 0 0 393.878 4.726 50 0 GJAARN Cc1nc2cc(NC(=O)CCc3c(C)nc4c(cnn4C(C)C)c3C)ccc2o1 ZINC000014251663 570838501 /nfs/dbraw/zinc/83/85/01/570838501.db2.gz DYRVTCYQVCWVND-UHFFFAOYSA-N 0 0 391.475 4.650 50 0 GJAARN O=C(Nc1nnc(-c2cccc(F)c2)o1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000043918891 570839810 /nfs/dbraw/zinc/83/98/10/570839810.db2.gz 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ZINC000012557960 570859970 /nfs/dbraw/zinc/85/99/70/570859970.db2.gz SJGPRXGPRCYERV-UHFFFAOYSA-N 0 0 380.517 4.649 50 0 GJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C)nn4[C@@H]3c3ccccc3)C2)cc1 ZINC000102715059 570860340 /nfs/dbraw/zinc/86/03/40/570860340.db2.gz UODIEKVFTSZTSA-HTAPYJJXSA-N 0 0 386.455 4.660 50 0 GJAARN O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cnn(Cc2ccccc2)c1 ZINC000014807409 570860606 /nfs/dbraw/zinc/86/06/06/570860606.db2.gz XOUHKYZMTRRHBD-UHFFFAOYSA-N 0 0 393.830 4.597 50 0 GJAARN O=C(Nc1ccc(Cl)cn1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033252418 570860829 /nfs/dbraw/zinc/86/08/29/570860829.db2.gz YPTIYEXLOMTXTJ-UHFFFAOYSA-N 0 0 394.793 4.843 50 0 GJAARN C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000012558912 570860898 /nfs/dbraw/zinc/86/08/98/570860898.db2.gz PCIFFHOGNFAKGL-HNNXBMFYSA-N 0 0 389.446 4.717 50 0 GJAARN CC1(C)Cc2cccc(OCCNC(=O)c3cc(Cl)ccc3Cl)c2O1 ZINC000024449066 570861421 /nfs/dbraw/zinc/86/14/21/570861421.db2.gz FKJCJTBJBHOVCF-UHFFFAOYSA-N 0 0 380.271 4.516 50 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ZINC000012563971 570869487 /nfs/dbraw/zinc/86/94/87/570869487.db2.gz LFLXUCAIUSZMLB-CYBMUJFWSA-N 0 0 379.485 4.760 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000012567064 570870734 /nfs/dbraw/zinc/87/07/34/570870734.db2.gz PZHZODKYEOTCHH-UHFFFAOYSA-N 0 0 395.506 4.722 50 0 GJAARN Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)cc2)n1 ZINC000014999512 570870742 /nfs/dbraw/zinc/87/07/42/570870742.db2.gz JCVPQZMSMRVHCS-UHFFFAOYSA-N 0 0 391.496 4.986 50 0 GJAARN Cc1c(CN2CC[C@H](c3ccc4c(c3)OCO4)Sc3ccccc32)cnn1C ZINC000015004296 570870758 /nfs/dbraw/zinc/87/07/58/570870758.db2.gz NWKXVVWWNCYRDP-OAQYLSRUSA-N 0 0 393.512 4.701 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)CSc3ncnc4sccc43)c2)cs1 ZINC000012567594 570871659 /nfs/dbraw/zinc/87/16/59/570871659.db2.gz UNKUKCLGEJDMFB-UHFFFAOYSA-N 0 0 398.538 4.854 50 0 GJAARN O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1c1ccc(F)cc1 ZINC000012568098 570872169 /nfs/dbraw/zinc/87/21/69/570872169.db2.gz PCDNEORRKBKAQG-QFIPXVFZSA-N 0 0 384.414 4.783 50 0 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Cc1cc(C(=O)COc2cccc3ccc(C)nc32)c(C)n1-c1nccs1 ZINC000014339446 570880588 /nfs/dbraw/zinc/88/05/88/570880588.db2.gz SSXBJJZJHVJWMM-UHFFFAOYSA-N 0 0 377.469 4.669 50 0 GJAARN O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000170624456 570880570 /nfs/dbraw/zinc/88/05/70/570880570.db2.gz LXVLLVFFGKZGKI-GOSISDBHSA-N 0 0 380.879 4.849 50 0 GJAARN Cc1noc2ncc(C(=O)N[C@H](C)c3sc(-c4ccc(C)cc4)nc3C)cc12 ZINC000170623100 570881333 /nfs/dbraw/zinc/88/13/33/570881333.db2.gz SMFYKPSNLHFRFJ-CYBMUJFWSA-N 0 0 392.484 4.763 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000004558288 570882076 /nfs/dbraw/zinc/88/20/76/570882076.db2.gz CBTZGAWWGXPLAD-UHFFFAOYSA-N 0 0 387.501 4.518 50 0 GJAARN O=C(OCc1nc(-c2cccc(Cl)c2)no1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000170628976 570882910 /nfs/dbraw/zinc/88/29/10/570882910.db2.gz IXJQBDOWBMYQSL-STQMWFEESA-N 0 0 390.773 4.515 50 0 GJAARN Cc1noc(C)c1[C@@H](C)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000170626606 570883773 /nfs/dbraw/zinc/88/37/73/570883773.db2.gz DNNAXRUEYFWVMZ-SECBINFHSA-N 0 0 395.406 4.925 50 0 GJAARN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2F)s1 ZINC000170630995 570884221 /nfs/dbraw/zinc/88/42/21/570884221.db2.gz PTLFHXHFVYZXCW-DYVFJYSZSA-N 0 0 376.497 4.520 50 0 GJAARN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000170629069 570884598 /nfs/dbraw/zinc/88/45/98/570884598.db2.gz FIJOJDKKZICKQI-WMLDXEAASA-N 0 0 397.425 4.598 50 0 GJAARN CCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000011240373 570888062 /nfs/dbraw/zinc/88/80/62/570888062.db2.gz JPDLGDXTCRBZEW-UHFFFAOYSA-N 0 0 379.435 4.541 50 0 GJAARN COc1cccc(N=C2NN=C(c3ccc(NC(=O)CC(C)C)cc3)CS2)c1 ZINC000012608556 570889589 /nfs/dbraw/zinc/88/95/89/570889589.db2.gz CABZMLZSOARGBA-UHFFFAOYSA-N 0 0 396.516 4.599 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1cc2c(c(Cl)c1)OCO2 ZINC000096861022 570891506 /nfs/dbraw/zinc/89/15/06/570891506.db2.gz IXMXGSGHBJJMEI-UTCJRWHESA-N 0 0 384.284 4.846 50 0 GJAARN Cc1ccccc1-c1nc(CNCc2cn(-c3ccccc3)nc2C(C)C)no1 ZINC000097101326 570894572 /nfs/dbraw/zinc/89/45/72/570894572.db2.gz LWPHTXBYTQRACT-UHFFFAOYSA-N 0 0 387.487 4.644 50 0 GJAARN CSc1ccc(CN(C)C(=O)CSCc2nc3ccccc3s2)cc1 ZINC000022442249 570894671 /nfs/dbraw/zinc/89/46/71/570894671.db2.gz DKGAFQJUJQYROZ-UHFFFAOYSA-N 0 0 388.583 4.910 50 0 GJAARN Cc1ccc(NC(=O)c2ccccc2NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000004576122 570896931 /nfs/dbraw/zinc/89/69/31/570896931.db2.gz HSOHAOFOBLXCPE-UHFFFAOYSA-N 0 0 388.467 4.882 50 0 GJAARN COC(=O)c1sccc1NC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000015606513 570898816 /nfs/dbraw/zinc/89/88/16/570898816.db2.gz NGAVFAPEDOSQCE-UHFFFAOYSA-N 0 0 385.416 4.505 50 0 GJAARN CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000013578957 570898848 /nfs/dbraw/zinc/89/88/48/570898848.db2.gz QFSRFVYFSRRSRY-IBGZPJMESA-N 0 0 396.512 4.548 50 0 GJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 ZINC000022481237 570899333 /nfs/dbraw/zinc/89/93/33/570899333.db2.gz SWSSCUICKVXPNN-HXUWFJFHSA-N 0 0 386.499 4.561 50 0 GJAARN CCCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000097151781 570900074 /nfs/dbraw/zinc/90/00/74/570900074.db2.gz PWUNGDZDRXYMIK-AWEZNQCLSA-N 0 0 383.883 4.516 50 0 GJAARN COc1ccc(Nc2nnc(SCc3cn4c(cccc4C)n3)s2)cc1 ZINC000012624052 570900136 /nfs/dbraw/zinc/90/01/36/570900136.db2.gz KFUIOSJRVWQFLO-UHFFFAOYSA-N 0 0 383.502 4.539 50 0 GJAARN CSc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000013737237 570901008 /nfs/dbraw/zinc/90/10/08/570901008.db2.gz VGLAYNOIEXLFJF-UHFFFAOYSA-N 0 0 375.925 4.724 50 0 GJAARN Cc1nc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)sc1C ZINC000023077886 570902004 /nfs/dbraw/zinc/90/20/04/570902004.db2.gz IKEFPIAZGIWNPU-UHFFFAOYSA-N 0 0 378.457 4.832 50 0 GJAARN COC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000004576682 570903967 /nfs/dbraw/zinc/90/39/67/570903967.db2.gz PRDAMDZKOZLHOT-NSHDSACASA-N 0 0 381.881 4.519 50 0 GJAARN CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCO4)[C@@H]12 ZINC000004025656 570903982 /nfs/dbraw/zinc/90/39/82/570903982.db2.gz QICBLZXMSFTNCM-QKSXVSAESA-N 0 0 388.573 4.936 50 0 biogenic GJAARN CCOc1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)c2ccccc12 ZINC000004577907 570905205 /nfs/dbraw/zinc/90/52/05/570905205.db2.gz XSCGRRQEXIQVIO-UHFFFAOYSA-N 0 0 399.556 4.733 50 0 GJAARN C(=NN=c1cc(N2CCCCCC2)[nH]c(N2CCCCCC2)n1)c1ccccc1 ZINC000004578455 570905486 /nfs/dbraw/zinc/90/54/86/570905486.db2.gz DZLCPDKSRYZORF-UHFFFAOYSA-N 0 0 392.551 4.683 50 0 GJAARN O=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609720 570906488 /nfs/dbraw/zinc/90/64/88/570906488.db2.gz IXGMUSVTRRHYPF-UHFFFAOYSA-N 0 0 392.821 4.979 50 0 GJAARN COc1ccccc1CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527221 570906551 /nfs/dbraw/zinc/90/65/51/570906551.db2.gz OSDQUZIPRBNRQD-MSQOXCFKSA-N 0 0 383.491 4.651 50 0 GJAARN Cc1ccc2cc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)c(C)nc2c1 ZINC000089665897 570908619 /nfs/dbraw/zinc/90/86/19/570908619.db2.gz HDOKDJYPWATNLE-YLJYHZDGSA-N 0 0 380.513 4.641 50 0 GJAARN CCc1ccc2nc(-c3ccc(C(=O)NCC4CCOCC4)cc3)cc(C)c2c1 ZINC000534642867 570909164 /nfs/dbraw/zinc/90/91/64/570909164.db2.gz WSKKMFCSHSPUGO-UHFFFAOYSA-N 0 0 388.511 4.929 50 0 GJAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1cccc(F)c1 ZINC000016011210 570911176 /nfs/dbraw/zinc/91/11/76/570911176.db2.gz WYFWNKLYVNVEIJ-UHFFFAOYSA-N 0 0 387.842 4.509 50 0 GJAARN CCC[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 ZINC000016008723 570911217 /nfs/dbraw/zinc/91/12/17/570911217.db2.gz GMLUPULKGOQUHT-CQSZACIVSA-N 0 0 390.277 4.743 50 0 GJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ncc(-c3ccccc3)o2)c1 ZINC000032912010 570914951 /nfs/dbraw/zinc/91/49/51/570914951.db2.gz FHPPSHPQJQBHBI-UHFFFAOYSA-N 0 0 393.443 4.619 50 0 GJAARN CCc1cc(-c2ccc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000534653797 570915134 /nfs/dbraw/zinc/91/51/34/570915134.db2.gz KXGUOVSZGCVUQM-OAHLLOKOSA-N 0 0 377.463 4.987 50 0 GJAARN C[C@H](OC(=O)c1ccccc1Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000016210017 570917814 /nfs/dbraw/zinc/91/78/14/570917814.db2.gz GBXSIAADVIWTPG-HNNXBMFYSA-N 0 0 385.423 4.585 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1Cc1ccccc1 ZINC000007577685 570918755 /nfs/dbraw/zinc/91/87/55/570918755.db2.gz JIUHWLWHASXUPX-UHFFFAOYSA-N 0 0 398.557 4.554 50 0 GJAARN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)C1 ZINC000089941657 570920277 /nfs/dbraw/zinc/92/02/77/570920277.db2.gz VZLFUVPNCKZOBG-GOSISDBHSA-N 0 0 376.456 4.687 50 0 GJAARN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[NH+]3CCC(C)CC3)c([O-])n2n1 ZINC000023157152 570920521 /nfs/dbraw/zinc/92/05/21/570920521.db2.gz QDDLQMDCVDVUAJ-SFHVURJKSA-N 0 0 384.549 4.750 50 0 GJAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000004588321 570923017 /nfs/dbraw/zinc/92/30/17/570923017.db2.gz UWUHAWTXBWUHOE-OAHLLOKOSA-N 0 0 395.503 4.929 50 0 GJAARN Cc1cc2sc(N)nc2cc1-c1cccc(C(=O)N2CC=C[C@H]2C(C)C)c1 ZINC000534675304 570923097 /nfs/dbraw/zinc/92/30/97/570923097.db2.gz OTLZUWLMKDYNMD-IBGZPJMESA-N 0 0 377.513 4.721 50 0 GJAARN Cc1ccc(NC(=O)COc2cccc3ccc(N4CCCCC4)nc32)cc1 ZINC000017042089 570925005 /nfs/dbraw/zinc/92/50/05/570925005.db2.gz ZHSLUHCCCOXIJA-UHFFFAOYSA-N 0 0 375.472 4.551 50 0 GJAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1C ZINC000017052805 570925628 /nfs/dbraw/zinc/92/56/28/570925628.db2.gz IEDMFJZBIDOYRF-UHFFFAOYSA-N 0 0 399.903 4.847 50 0 GJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2cccc(Cl)c2)CCS3)cc1 ZINC000017051272 570925646 /nfs/dbraw/zinc/92/56/46/570925646.db2.gz HMGFPUCCYYAGFW-UHFFFAOYSA-N 0 0 383.904 4.548 50 0 GJAARN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000017144195 570928661 /nfs/dbraw/zinc/92/86/61/570928661.db2.gz SRFDAWJCAMRPEL-KHYOSLBOSA-N 0 0 398.576 4.996 50 0 GJAARN O=C(NCc1cccnc1)c1sc2cccc(Br)c2c1Cl ZINC000016605003 570928747 /nfs/dbraw/zinc/92/87/47/570928747.db2.gz BZUOZCNYVZEYQN-UHFFFAOYSA-N 0 0 381.682 4.642 50 0 GJAARN CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000016643655 570929769 /nfs/dbraw/zinc/92/97/69/570929769.db2.gz WTMHVJRSMSSCHY-KRWDZBQOSA-N 0 0 379.504 4.867 50 0 GJAARN CCOc1ccc(C(=O)N(C)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000004078442 570930729 /nfs/dbraw/zinc/93/07/29/570930729.db2.gz GSZMKMFWOSTAGO-UHFFFAOYSA-N 0 0 397.544 4.681 50 0 GJAARN c1ccc2cc(OCc3nc4c5c6c(sc5ncn4n3)CCCC6)ccc2c1 ZINC000001059714 570930896 /nfs/dbraw/zinc/93/08/96/570930896.db2.gz MQWSGIUUKSFHCK-UHFFFAOYSA-N 0 0 386.480 4.950 50 0 GJAARN COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1 ZINC000016752244 570932597 /nfs/dbraw/zinc/93/25/97/570932597.db2.gz YWEWTYRNCVIPFM-UHFFFAOYSA-N 0 0 392.779 4.718 50 0 GJAARN Cc1ccc(-c2nc3ccc(Cl)cn3c2NC(=O)c2ccccc2O)cc1 ZINC000016753109 570932676 /nfs/dbraw/zinc/93/26/76/570932676.db2.gz NDHLVWUMAGGTAW-UHFFFAOYSA-N 0 0 377.831 4.921 50 0 GJAARN Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000046835117 570934695 /nfs/dbraw/zinc/93/46/95/570934695.db2.gz WWKVXWIQTKVPOM-OAHLLOKOSA-N 0 0 386.446 4.750 50 0 GJAARN CCc1noc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)n1 ZINC000012648122 570934842 /nfs/dbraw/zinc/93/48/42/570934842.db2.gz NKAANFCMPLPTNI-UHFFFAOYSA-N 0 0 396.516 4.525 50 0 GJAARN O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(CN2CCCC2=O)c1 ZINC000032924605 570936099 /nfs/dbraw/zinc/93/60/99/570936099.db2.gz MOJHQESFBARFRZ-UHFFFAOYSA-N 0 0 391.298 4.687 50 0 GJAARN CCOc1ccc(-c2cc(-c3nc(-c4ccc(OC)cc4)no3)n[nH]2)cc1Cl ZINC000046913903 570936532 /nfs/dbraw/zinc/93/65/32/570936532.db2.gz ULBXFMVEUPACPE-UHFFFAOYSA-N 0 0 396.834 4.854 50 0 GJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000032926695 570938578 /nfs/dbraw/zinc/93/85/78/570938578.db2.gz ZVCVLMSTAFGQJM-ZIAGYGMSSA-N 0 0 389.293 4.755 50 0 GJAARN CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 ZINC000002101699 570942643 /nfs/dbraw/zinc/94/26/43/570942643.db2.gz CZCARHUUZYJPRS-QHCPKHFHSA-N 0 0 389.536 4.775 50 0 biogenic GJAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000025092517 570943210 /nfs/dbraw/zinc/94/32/10/570943210.db2.gz ZVMQULVVTVKFTL-UHFFFAOYSA-N 0 0 389.455 4.965 50 0 GJAARN CSc1ccc(C)c(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000032932480 570945647 /nfs/dbraw/zinc/94/56/47/570945647.db2.gz QCARHCTTYGCBBL-NRFANRHFSA-N 0 0 390.508 4.827 50 0 GJAARN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1ccccc1N1CCCC1 ZINC000012650994 570946850 /nfs/dbraw/zinc/94/68/50/570946850.db2.gz DHSAIHYCAOTDIO-IBGZPJMESA-N 0 0 387.527 4.899 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)cc1 ZINC000012653217 570947577 /nfs/dbraw/zinc/94/75/77/570947577.db2.gz WYZZAPAQRZAYTQ-AWEZNQCLSA-N 0 0 379.485 4.621 50 0 GJAARN Cc1nc(NC(=O)[C@@H]2CCCc3ccccc32)sc1-c1nccn1C(F)F ZINC000025673539 570950093 /nfs/dbraw/zinc/95/00/93/570950093.db2.gz ULYUGHXAYTYVMO-CQSZACIVSA-N 0 0 388.443 4.769 50 0 GJAARN Cc1c2cc(Cl)c(OCc3ccc(Cl)cc3)cc2oc(=O)c1C[C@@H](C)O ZINC000001254458 570950467 /nfs/dbraw/zinc/95/04/67/570950467.db2.gz IGHHXNCDJZQBDR-LLVKDONJSA-N 0 0 393.266 4.911 50 0 GJAARN CC(C)c1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000018181606 570951179 /nfs/dbraw/zinc/95/11/79/570951179.db2.gz FFZITECHGJJKDJ-UHFFFAOYSA-N 0 0 386.908 4.979 50 0 GJAARN Cc1ccsc1CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033278937 570953337 /nfs/dbraw/zinc/95/33/37/570953337.db2.gz DDPJQUURFXPUCX-UHFFFAOYSA-N 0 0 389.480 4.746 50 0 GJAARN O=Cc1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000004739241 570953384 /nfs/dbraw/zinc/95/33/84/570953384.db2.gz IZSBTUPTJMPXAT-UHFFFAOYSA-N 0 0 388.030 4.742 50 0 GJAARN COc1ccc(NC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1 ZINC000033279046 570953462 /nfs/dbraw/zinc/95/34/62/570953462.db2.gz QVKHIWJRVNCETN-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN CSc1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1 ZINC000002119781 570953900 /nfs/dbraw/zinc/95/39/00/570953900.db2.gz XRCMOODFWMXBOT-MFOYZWKCSA-N 0 0 388.489 4.962 50 0 GJAARN Cc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1C ZINC000002122199 570955965 /nfs/dbraw/zinc/95/59/65/570955965.db2.gz QUMOHPUPORNINA-UHFFFAOYSA-N 0 0 375.468 4.954 50 0 biogenic GJAARN C[C@H](NC(=O)CSc1nccnc1Sc1ccccc1)c1ccccc1 ZINC000033288862 570955972 /nfs/dbraw/zinc/95/59/72/570955972.db2.gz XWFRYPDRDQGKAI-HNNXBMFYSA-N 0 0 381.526 4.597 50 0 GJAARN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)c1 ZINC000012090494 570958759 /nfs/dbraw/zinc/95/87/59/570958759.db2.gz UQAWXWMUHNESND-UHFFFAOYSA-N 0 0 391.471 4.829 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000032104137 570960438 /nfs/dbraw/zinc/96/04/38/570960438.db2.gz WHBNMISFISCEDS-UHFFFAOYSA-N 0 0 397.434 4.726 50 0 GJAARN Cc1nc(-c2ccccc2NC(=O)c2sc(-n3cccc3)nc2C)cs1 ZINC000208008131 570960744 /nfs/dbraw/zinc/96/07/44/570960744.db2.gz JLMPHSVIJUEYFW-UHFFFAOYSA-N 0 0 380.498 4.926 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3C)c(C)s2)sc1C ZINC000033290057 570960881 /nfs/dbraw/zinc/96/08/81/570960881.db2.gz GMXOHWKUTLMSGQ-UHFFFAOYSA-N 0 0 378.544 4.906 50 0 GJAARN CCN(CC)c1ccc(C(=O)Nc2ccc3c4c(cccc42)C(=O)N3CC)cc1 ZINC000004134714 570961623 /nfs/dbraw/zinc/96/16/23/570961623.db2.gz MOUDJEDNPWFXRL-UHFFFAOYSA-N 0 0 387.483 4.918 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 ZINC000033298802 570962642 /nfs/dbraw/zinc/96/26/42/570962642.db2.gz YJJIFZRKQOEHNL-UHFFFAOYSA-N 0 0 378.544 4.744 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCC4)cc2s1 ZINC000033298865 570962913 /nfs/dbraw/zinc/96/29/13/570962913.db2.gz STCBCESXGHWOPR-UHFFFAOYSA-N 0 0 390.555 4.698 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2s1 ZINC000033298862 570963049 /nfs/dbraw/zinc/96/30/49/570963049.db2.gz NLNREHYSJBXAEE-UHFFFAOYSA-N 0 0 378.544 4.826 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccc(F)cc3)cc12 ZINC000000637411 570963106 /nfs/dbraw/zinc/96/31/06/570963106.db2.gz ZSGPYPUEGBYMGO-UHFFFAOYSA-N 0 0 388.398 4.548 50 0 GJAARN CC1(C)CC(=O)C(C(c2ccccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000001230354 570965130 /nfs/dbraw/zinc/96/51/30/570965130.db2.gz CXSKLOJKEIVKCV-UHFFFAOYSA-N 0 0 384.472 4.878 50 0 GJAARN CN(Cc1ccsc1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000047585030 570965499 /nfs/dbraw/zinc/96/54/99/570965499.db2.gz SMBSIGPBSUXWLX-UHFFFAOYSA-N 0 0 396.468 4.720 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(OC(C)C)n1 ZINC000012225671 570968111 /nfs/dbraw/zinc/96/81/11/570968111.db2.gz AJQFUXGYOVMDDH-UHFFFAOYSA-N 0 0 380.423 4.707 50 0 GJAARN CCCOc1cc(Nc2ccc(NC(=O)c3cccc(OC)c3)cc2)nc(C)n1 ZINC000012225536 570968137 /nfs/dbraw/zinc/96/81/37/570968137.db2.gz YZQYNPIJVFSIKZ-UHFFFAOYSA-N 0 0 392.459 4.578 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)ns1)Nc1cccc(C(F)(F)F)c1 ZINC000004167268 570970542 /nfs/dbraw/zinc/97/05/42/570970542.db2.gz BNAIHVWZBTVMPW-UHFFFAOYSA-N 0 0 395.431 4.955 50 0 GJAARN Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3F)n2)cc1 ZINC000004167346 570970572 /nfs/dbraw/zinc/97/05/72/570970572.db2.gz HZEQAXOVQILTCI-UHFFFAOYSA-N 0 0 377.441 4.523 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(F)cc1C ZINC000033312629 570971230 /nfs/dbraw/zinc/97/12/30/570971230.db2.gz HVFOYLOQGVKBFA-LBPRGKRZSA-N 0 0 398.507 4.936 50 0 GJAARN C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1cccc2ccccc21 ZINC000004767421 570972367 /nfs/dbraw/zinc/97/23/67/570972367.db2.gz KBANFLRGQFLAQE-LLVKDONJSA-N 0 0 389.238 4.726 50 0 GJAARN Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3cccs3)N2)cc1 ZINC000019322221 570974377 /nfs/dbraw/zinc/97/43/77/570974377.db2.gz HYFASCUEGVCONF-UHFFFAOYSA-N 0 0 391.340 4.674 50 0 GJAARN O=C1[C@@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(Cl)c1 ZINC000001384519 570975184 /nfs/dbraw/zinc/97/51/84/570975184.db2.gz FTEZFODPRHSBKD-INIZCTEOSA-N 0 0 398.837 4.785 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146847 570976704 /nfs/dbraw/zinc/97/67/04/570976704.db2.gz ZQBMFSMAVXGKRK-ZDUSSCGKSA-N 0 0 376.865 4.957 50 0 GJAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(C)cc1 ZINC000004571506 570978121 /nfs/dbraw/zinc/97/81/21/570978121.db2.gz SETXYRQKEFIYTR-DEOSSOPVSA-N 0 0 393.531 4.654 50 0 GJAARN COc1ccc(-c2cn(C(=O)c3cccs3)nc2-c2ccc(OC)cc2)cc1 ZINC000001393529 570978468 /nfs/dbraw/zinc/97/84/68/570978468.db2.gz DNJULHZUYGXQCJ-UHFFFAOYSA-N 0 0 390.464 4.984 50 0 GJAARN O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1 ZINC000585147751 570978706 /nfs/dbraw/zinc/97/87/06/570978706.db2.gz YLVJWYYWPVWQCJ-AWEZNQCLSA-N 0 0 381.375 4.802 50 0 GJAARN Cc1ccc(C)n1[C@H](CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000001393760 570978735 /nfs/dbraw/zinc/97/87/35/570978735.db2.gz YTJTUJISQFRVIV-LJQANCHMSA-N 0 0 380.419 4.591 50 0 GJAARN O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1ccccc1 ZINC000033324940 570979064 /nfs/dbraw/zinc/97/90/64/570979064.db2.gz XVNZSXQAFOVRKV-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN O=C(CSc1cccc(Cl)c1Cl)Nc1nnc(C(F)(F)F)s1 ZINC000001397840 570980077 /nfs/dbraw/zinc/98/00/77/570980077.db2.gz TYDHEXZDXJGRFY-UHFFFAOYSA-N 0 0 388.223 4.595 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000012739591 570981309 /nfs/dbraw/zinc/98/13/09/570981309.db2.gz VKBVXAOXDUCHIA-GOSISDBHSA-N 0 0 399.878 4.744 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000585149023 570982597 /nfs/dbraw/zinc/98/25/97/570982597.db2.gz RKUROUGJFMWOHJ-HNNXBMFYSA-N 0 0 376.378 4.662 50 0 GJAARN CCCCCC(=O)N(CCC)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000004780696 570986559 /nfs/dbraw/zinc/98/65/59/570986559.db2.gz AJCBNLCSKVQIEA-UHFFFAOYSA-N 0 0 398.547 4.936 50 0 GJAARN Cc1[nH]c2ccc(Br)cc2c1CCNC(=S)NC1CCCCC1 ZINC000001410394 570986958 /nfs/dbraw/zinc/98/69/58/570986958.db2.gz KQNSWKNUULHNNM-UHFFFAOYSA-N 0 0 394.382 4.578 50 0 GJAARN CN(Cc1ccc(Cl)c(Cl)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012745035 570988090 /nfs/dbraw/zinc/98/80/90/570988090.db2.gz BWABFOLKWDQJCI-SFHVURJKSA-N 0 0 381.278 4.584 50 0 GJAARN CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3ccccc3CC(N)=O)o2)cc1 ZINC000252527773 570988423 /nfs/dbraw/zinc/98/84/23/570988423.db2.gz DIHJLJUPYZRMTR-UHFFFAOYSA-N 0 0 376.456 4.524 50 0 GJAARN CC(C)n1ncc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cnc21 ZINC000012746379 570989801 /nfs/dbraw/zinc/98/98/01/570989801.db2.gz FENWEIWQXPTCLL-UHFFFAOYSA-N 0 0 399.454 4.517 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C ZINC000004790897 570992528 /nfs/dbraw/zinc/99/25/28/570992528.db2.gz UNDPAOWBFRAMGA-ZDUSSCGKSA-N 0 0 396.541 4.621 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 ZINC000004801571 570995166 /nfs/dbraw/zinc/99/51/66/570995166.db2.gz ODFGKWWMUXPKBF-UHFFFAOYSA-N 0 0 379.485 4.541 50 0 GJAARN CCn1c(=O)c2cc3c(nc2nc1SCc1ccc(Cl)cc1)CCCC3 ZINC000002195742 570996764 /nfs/dbraw/zinc/99/67/64/570996764.db2.gz ZWWKTDSRPIECGS-UHFFFAOYSA-N 0 0 385.920 4.636 50 0 GJAARN CC[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002199575 570997125 /nfs/dbraw/zinc/99/71/25/570997125.db2.gz JXHFUTFQVLTFMH-INIZCTEOSA-N 0 0 386.908 4.645 50 0 GJAARN O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CC4)ccc3[nH]2)cc1)c1ccccc1 ZINC000090623750 570997589 /nfs/dbraw/zinc/99/75/89/570997589.db2.gz LMROEKCUDPNHDU-UHFFFAOYSA-N 0 0 396.450 4.831 50 0 GJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(Br)c1 ZINC000051354361 570999390 /nfs/dbraw/zinc/99/93/90/570999390.db2.gz DRJWXFDQPCJCRM-UHFFFAOYSA-N 0 0 375.144 4.992 50 0 GJAARN Cc1cc(CN(C)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000084117019 570999880 /nfs/dbraw/zinc/99/98/80/570999880.db2.gz KPAKEIGJGCJKQG-UHFFFAOYSA-N 0 0 381.276 4.685 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2cccs2)CC1 ZINC000019540080 571000411 /nfs/dbraw/zinc/00/04/11/571000411.db2.gz PVVPFXSWTPEYEB-UHFFFAOYSA-N 0 0 399.604 4.751 50 0 GJAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccccc3C)C2=O)cc1 ZINC000007615812 571001603 /nfs/dbraw/zinc/00/16/03/571001603.db2.gz MUQUIQWTYMKXEG-UHFFFAOYSA-N 0 0 392.480 4.639 50 0 GJAARN CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1C1CC1 ZINC000007618093 571002013 /nfs/dbraw/zinc/00/20/13/571002013.db2.gz CEMINGDOHXZOMC-UHFFFAOYSA-N 0 0 394.500 4.699 50 0 GJAARN O=C(c1cccc(F)c1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 ZINC000045933227 571002602 /nfs/dbraw/zinc/00/26/02/571002602.db2.gz UKEUSADZGKEWEW-UHFFFAOYSA-N 0 0 384.451 4.898 50 0 GJAARN Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000001431284 571003777 /nfs/dbraw/zinc/00/37/77/571003777.db2.gz NSOSGJVRLNYHNF-QAPCUYQASA-N 0 0 389.496 4.885 50 0 GJAARN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)oc2c1c(C)ccc2C ZINC000084147924 571004170 /nfs/dbraw/zinc/00/41/70/571004170.db2.gz DLIGAAGTTZUVBI-ZDUSSCGKSA-N 0 0 386.835 4.590 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)c2cc3c(nc(C)cc3C(F)(F)F)s2)c1 ZINC000002208341 571005713 /nfs/dbraw/zinc/00/57/13/571005713.db2.gz MEUCACDRJTXPPG-UHFFFAOYSA-N 0 0 393.390 4.834 50 0 GJAARN Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1C ZINC000084177743 571005739 /nfs/dbraw/zinc/00/57/39/571005739.db2.gz GCNVAMGZSGTQDO-OAQYLSRUSA-N 0 0 378.516 4.809 50 0 GJAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCc4cccc(Cl)c4)n3n2)cc1 ZINC000045972039 571006496 /nfs/dbraw/zinc/00/64/96/571006496.db2.gz PVNBTMXQYBAQCI-UHFFFAOYSA-N 0 0 396.903 4.593 50 0 GJAARN CCCn1c(=O)oc2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc21 ZINC000046010199 571010354 /nfs/dbraw/zinc/01/03/54/571010354.db2.gz UHCYPLDZBLWLOU-UHFFFAOYSA-N 0 0 379.338 4.667 50 0 GJAARN Cc1cccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000007654855 571012105 /nfs/dbraw/zinc/01/21/05/571012105.db2.gz WHBXGUBBMDPTCZ-UHFFFAOYSA-N 0 0 377.824 4.798 50 0 GJAARN CCOc1ccc(-c2csc(NC(=O)c3ccc(C)c(NC(C)=O)c3)n2)cc1 ZINC000046019462 571012165 /nfs/dbraw/zinc/01/21/65/571012165.db2.gz RHAPRNKAQJRPIC-UHFFFAOYSA-N 0 0 395.484 4.728 50 0 GJAARN Cc1ccc(C)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012762872 571013467 /nfs/dbraw/zinc/01/34/67/571013467.db2.gz BFZYYVQJANPNGZ-HSZRJFAPSA-N 0 0 376.525 4.951 50 0 GJAARN CC[C@H](C(=O)NC1CC1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037439874 571013825 /nfs/dbraw/zinc/01/38/25/571013825.db2.gz RNJALPVXCBDJTE-QGZVFWFLSA-N 0 0 387.549 4.645 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000046043676 571014118 /nfs/dbraw/zinc/01/41/18/571014118.db2.gz DRGLLICMNQKKTL-GOSISDBHSA-N 0 0 384.907 4.954 50 0 GJAARN Cc1ccccc1CN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)C1CCCC1 ZINC000091563366 571014963 /nfs/dbraw/zinc/01/49/63/571014963.db2.gz XNMHXHGHEVXUAD-UHFFFAOYSA-N 0 0 375.472 4.676 50 0 GJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc[nH]c1=S ZINC000011406296 571015615 /nfs/dbraw/zinc/01/56/15/571015615.db2.gz QCRXXRUXSKYZBG-UHFFFAOYSA-N 0 0 386.480 4.527 50 0 GJAARN Cc1nn(-c2cccc(C)c2C)c2c1C(=C(O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057287 571017134 /nfs/dbraw/zinc/01/71/34/571017134.db2.gz VVBTXZOZWFCZCN-LJQANCHMSA-N 0 0 387.483 4.723 50 0 GJAARN Cc1ccc([C@H](NS(=O)(=O)c2ccccc2Cl)c2cccs2)cc1 ZINC000007702470 571018613 /nfs/dbraw/zinc/01/86/13/571018613.db2.gz BQDIYZSWJHNVTE-SFHVURJKSA-N 0 0 377.918 4.778 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccccc2)cc1 ZINC000007709851 571019328 /nfs/dbraw/zinc/01/93/28/571019328.db2.gz OMGYDLUIAGCUAM-UHFFFAOYSA-N 0 0 385.510 4.788 50 0 GJAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2)cc1 ZINC000019595479 571021201 /nfs/dbraw/zinc/02/12/01/571021201.db2.gz XPTKEXDXFMFORE-HSZRJFAPSA-N 0 0 388.540 4.771 50 0 GJAARN CCCOc1ccc(C(=O)CCNc2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000019625222 571021619 /nfs/dbraw/zinc/02/16/19/571021619.db2.gz MJZMLYCYIZGNLD-UHFFFAOYSA-N 0 0 383.879 4.999 50 0 GJAARN CC(C)CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078903 571021708 /nfs/dbraw/zinc/02/17/08/571021708.db2.gz GVZPEAUJWCAWRI-UHFFFAOYSA-N 0 0 384.907 4.709 50 0 GJAARN COc1ccc2oc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)c2c1 ZINC000007724370 571022740 /nfs/dbraw/zinc/02/27/40/571022740.db2.gz ZIZBHNUVPYQSFR-UHFFFAOYSA-N 0 0 375.808 4.673 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)c(Cl)c1 ZINC000007725715 571023481 /nfs/dbraw/zinc/02/34/81/571023481.db2.gz SWRKCHHEYHRFDI-UHFFFAOYSA-N 0 0 379.243 4.820 50 0 GJAARN O=S(=O)(c1ccccc1C(F)(F)F)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000084581875 571024712 /nfs/dbraw/zinc/02/47/12/571024712.db2.gz KKWFRZNKKZJPPJ-QGZVFWFLSA-N 0 0 381.419 4.546 50 0 GJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccccc1Br ZINC000012772300 571026123 /nfs/dbraw/zinc/02/61/23/571026123.db2.gz KKDWKMLZOLPPMT-UHFFFAOYSA-N 0 0 390.668 4.600 50 0 GJAARN CCn1c(=S)n(CN2CCc3sccc3C2)nc1-c1cccc(Cl)c1 ZINC000012772856 571026588 /nfs/dbraw/zinc/02/65/88/571026588.db2.gz XBVPSIDEHNUNET-UHFFFAOYSA-N 0 0 390.965 4.832 50 0 GJAARN CC[C@@H](C)c1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 ZINC000007735498 571027141 /nfs/dbraw/zinc/02/71/41/571027141.db2.gz WRWVDABRHJRVOQ-CABCVRRESA-N 0 0 396.512 4.553 50 0 GJAARN CC(C)n1ncc2cc(C(=O)N[C@H](c3cccs3)c3ccccc3)cnc21 ZINC000012774272 571027296 /nfs/dbraw/zinc/02/72/96/571027296.db2.gz YYJQXBHWBABHEX-IBGZPJMESA-N 0 0 376.485 4.593 50 0 GJAARN CCN(CC)C(=S)SCc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000007737182 571027794 /nfs/dbraw/zinc/02/77/94/571027794.db2.gz KZGCDJKSYBFCGZ-UHFFFAOYSA-N 0 0 379.576 4.688 50 0 GJAARN CC(C)c1nc2ccc(N[C@H](C)C(=O)N3CCc4sccc4C3)cc2s1 ZINC000084631205 571028229 /nfs/dbraw/zinc/02/82/29/571028229.db2.gz BWXNCWLKXYLXDQ-CYBMUJFWSA-N 0 0 385.558 4.867 50 0 GJAARN Cc1ccc(-c2cnc(CCC(=O)N(C)c3nc4ccccc4s3)o2)cc1 ZINC000012775448 571028653 /nfs/dbraw/zinc/02/86/53/571028653.db2.gz VHWOWEUPRIELLR-UHFFFAOYSA-N 0 0 377.469 4.855 50 0 GJAARN CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F ZINC000037543629 571028932 /nfs/dbraw/zinc/02/89/32/571028932.db2.gz AGJZATZDGAVLLD-UHFFFAOYSA-N 0 0 399.260 4.542 50 0 GJAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NC(C)C ZINC000037547364 571029937 /nfs/dbraw/zinc/02/99/37/571029937.db2.gz ZERYSJRSYLOKQU-UHFFFAOYSA-N 0 0 399.441 4.708 50 0 GJAARN CCN(CC)C(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000037546792 571030064 /nfs/dbraw/zinc/03/00/64/571030064.db2.gz HQPONADVMWWMET-UHFFFAOYSA-N 0 0 391.515 4.989 50 0 GJAARN COc1cccc(CNC(=O)c2cccnc2Sc2ccc(C)cc2C)c1 ZINC000012778912 571031873 /nfs/dbraw/zinc/03/18/73/571031873.db2.gz IXLJDXQEDKGWKQ-UHFFFAOYSA-N 0 0 378.497 4.788 50 0 GJAARN CC(C)c1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)cc1 ZINC000091876922 571034777 /nfs/dbraw/zinc/03/47/77/571034777.db2.gz FVDAZAYJJRLZPC-XMMPIXPASA-N 0 0 382.548 4.597 50 0 GJAARN Cc1ccc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc(=O)n2c1 ZINC000007777917 571035821 /nfs/dbraw/zinc/03/58/21/571035821.db2.gz BMMWRGFJTSPQKL-UHFFFAOYSA-N 0 0 393.874 4.548 50 0 GJAARN CC[C@H](C)n1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O ZINC000007779608 571037082 /nfs/dbraw/zinc/03/70/82/571037082.db2.gz IYSZLKMSJWYOPO-AWEZNQCLSA-N 0 0 391.496 4.824 50 0 GJAARN O=C(Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1)c1cccs1 ZINC000007780550 571037655 /nfs/dbraw/zinc/03/76/55/571037655.db2.gz DPRKKCYIXNWRKY-UHFFFAOYSA-N 0 0 383.498 4.588 50 0 GJAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000007781094 571038624 /nfs/dbraw/zinc/03/86/24/571038624.db2.gz SCNIKXQOCDDDQB-UHFFFAOYSA-N 0 0 399.450 4.588 50 0 GJAARN COc1ccc(Cl)cc1C(=O)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219092667 571039620 /nfs/dbraw/zinc/03/96/20/571039620.db2.gz QFBYEWLMPCZADD-SFHVURJKSA-N 0 0 379.884 4.808 50 0 GJAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)nc2onc(C)c21 ZINC000084810524 571039890 /nfs/dbraw/zinc/03/98/90/571039890.db2.gz NNKYWPXZRITFDJ-UHFFFAOYSA-N 0 0 379.338 4.509 50 0 GJAARN O=C(Nc1ccccc1)Nc1cccc(N2CCn3c(nc4ccccc43)C2)c1 ZINC000015671410 571040164 /nfs/dbraw/zinc/04/01/64/571040164.db2.gz OWJMQNARMFGUFF-UHFFFAOYSA-N 0 0 383.455 4.701 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnn1-c1cccc(C)c1 ZINC000015673825 571041339 /nfs/dbraw/zinc/04/13/39/571041339.db2.gz IQMBGVRBRJNALL-UHFFFAOYSA-N 0 0 384.439 4.929 50 0 GJAARN Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)s1 ZINC000053153852 571043658 /nfs/dbraw/zinc/04/36/58/571043658.db2.gz SEKCYEUWYKSQDB-OAHLLOKOSA-N 0 0 381.501 4.703 50 0 GJAARN Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3ccc(Br)cc3)c1CO2 ZINC000015677647 571043813 /nfs/dbraw/zinc/04/38/13/571043813.db2.gz JYTHRIYEAOWLIS-UHFFFAOYSA-N 0 0 399.244 4.582 50 0 GJAARN O=C(Nc1cccc(C(=O)NCC(F)(F)F)c1)c1cc2cc(F)ccc2s1 ZINC000011463056 571047238 /nfs/dbraw/zinc/04/72/38/571047238.db2.gz QHDLNEHRNOLOOH-UHFFFAOYSA-N 0 0 396.365 4.585 50 0 GJAARN Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccncc3)nc3ccccc32)on1 ZINC000095358835 571053806 /nfs/dbraw/zinc/05/38/06/571053806.db2.gz ZYWLQFGVMCNLAB-OAQYLSRUSA-N 0 0 384.439 4.571 50 0 GJAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 ZINC000095361266 571055432 /nfs/dbraw/zinc/05/54/32/571055432.db2.gz NLKWFIDCGBCCMW-HNNXBMFYSA-N 0 0 377.891 4.804 50 0 GJAARN O=C(CCCc1ccc(Cl)cc1)N1CCC(c2nccn2CC2CC2)CC1 ZINC000095380818 571067686 /nfs/dbraw/zinc/06/76/86/571067686.db2.gz RJUOLXFDRQMERX-UHFFFAOYSA-N 0 0 385.939 4.675 50 0 GJAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000095511631 571082467 /nfs/dbraw/zinc/08/24/67/571082467.db2.gz UNDPYNHBQRDBPT-HNNXBMFYSA-N 0 0 384.911 4.838 50 0 GJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019537729 210259231 /nfs/dbraw/zinc/25/92/31/210259231.db2.gz KKLUWNBNMGQBKI-JLHYYAGUSA-N 0 0 396.534 4.676 50 0 GJAARN COCCn1c(SCc2ccccc2F)nnc1-c1c[nH]c2ccccc21 ZINC000004138687 230833017 /nfs/dbraw/zinc/83/30/17/230833017.db2.gz SEBXSSOHZGBPAT-UHFFFAOYSA-N 0 0 382.464 4.504 50 0 GJAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241644374 231038553 /nfs/dbraw/zinc/03/85/53/231038553.db2.gz PQGBIFMTTCGWLW-IERDGZPVSA-N 0 0 390.483 4.738 50 0 GJAARN CCn1nc(C)c([C@@H](C)NC(=O)N(Cc2cccnc2)C2CCCCC2)c1C ZINC000426396686 231214135 /nfs/dbraw/zinc/21/41/35/231214135.db2.gz WLXBFBDBCDMBSH-MRXNPFEDSA-N 0 0 383.540 4.520 50 0 GJAARN COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc3[nH]cnc3c2)cc1 ZINC000426633849 231248521 /nfs/dbraw/zinc/24/85/21/231248521.db2.gz IEGDHWQJWFHQBJ-FQEVSTJZSA-N 0 0 377.488 4.651 50 0 GJAARN C[C@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 ZINC000018182905 210217235 /nfs/dbraw/zinc/21/72/35/210217235.db2.gz SDCWCBCCXXJTKX-MJXNMMHHSA-N 0 0 396.874 4.518 50 0 GJAARN COc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 ZINC000018141791 210214998 /nfs/dbraw/zinc/21/49/98/210214998.db2.gz QCYDFBYWJOJOQH-CQSZACIVSA-N 0 0 379.847 4.795 50 0 GJAARN O=C(NCCSCc1ccco1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000018076004 210212586 /nfs/dbraw/zinc/21/25/86/210212586.db2.gz QHVFKUXPJZOALO-UHFFFAOYSA-N 0 0 389.480 4.553 50 0 GJAARN CCCc1ccc(OCc2ccc(C3N=NC(=S)N3C[C@H]3CCCO3)o2)cc1 ZINC000017081750 210203999 /nfs/dbraw/zinc/20/39/99/210203999.db2.gz NWKXZYPWRKIIMA-QGZVFWFLSA-N 0 0 399.516 4.537 50 0 GJAARN CCc1c(C)scc1-c1nnc(SCC(=O)Nc2ccccc2)n1CC ZINC000017078991 210202357 /nfs/dbraw/zinc/20/23/57/210202357.db2.gz WHCDIKXUTXZULB-UHFFFAOYSA-N 0 0 386.546 4.628 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000016973093 210200374 /nfs/dbraw/zinc/20/03/74/210200374.db2.gz BJOOFVCINRVBJM-UHFFFAOYSA-N 0 0 386.451 4.541 50 0 GJAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000016840793 210199305 /nfs/dbraw/zinc/19/93/05/210199305.db2.gz WYSSLSZPUYDASR-UHFFFAOYSA-N 0 0 387.892 4.970 50 0 GJAARN CCCOc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)c2ccccc12 ZINC000016780641 210197494 /nfs/dbraw/zinc/19/74/94/210197494.db2.gz 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CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccsc4)C3)C2=O)cc1 ZINC000015065352 210145926 /nfs/dbraw/zinc/14/59/26/210145926.db2.gz YWFOBYPXCBXNGQ-QHCPKHFHSA-N 0 0 396.556 4.526 50 0 GJAARN CC[C@H](Nc1ncnc2sc(C(=O)N3CCCC3)c(C)c21)c1cccs1 ZINC000014999192 210143648 /nfs/dbraw/zinc/14/36/48/210143648.db2.gz BALYCVSOGGXCJP-ZDUSSCGKSA-N 0 0 386.546 4.860 50 0 GJAARN O=C(Oc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000015013404 210143683 /nfs/dbraw/zinc/14/36/83/210143683.db2.gz MOCOBIZUGKSBOK-UHFFFAOYSA-N 0 0 396.245 4.590 50 0 GJAARN CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000014609536 210121093 /nfs/dbraw/zinc/12/10/93/210121093.db2.gz YXMMINQLBKWPSO-UHFFFAOYSA-N 0 0 398.466 4.894 50 0 GJAARN CCOc1cc(C(=O)Nc2ncc(C)s2)ccc1OCCOc1ccccc1 ZINC000014661816 210122411 /nfs/dbraw/zinc/12/24/11/210122411.db2.gz YMIVOJBGPVPPRN-UHFFFAOYSA-N 0 0 398.484 4.560 50 0 GJAARN CC[C@@H](CO)Nc1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC000014250583 210114558 /nfs/dbraw/zinc/11/45/58/210114558.db2.gz 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/nfs/dbraw/zinc/29/93/82/209299382.db2.gz MJPFXULVWLTHOS-UHFFFAOYSA-N 0 0 397.301 4.870 50 0 GJAARN O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000001078759 209298274 /nfs/dbraw/zinc/29/82/74/209298274.db2.gz ZWRFYGFZOAZQCW-UHFFFAOYSA-N 0 0 395.261 4.623 50 0 GJAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000001079361 209297733 /nfs/dbraw/zinc/29/77/33/209297733.db2.gz ZPHAJYLLFDERIJ-UHFFFAOYSA-N 0 0 386.476 4.669 50 0 GJAARN Cc1nn([C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1Br ZINC000001070560 209297125 /nfs/dbraw/zinc/29/71/25/209297125.db2.gz ZZBAIUQJIDWQME-SNVBAGLBSA-N 0 0 384.705 4.814 50 0 GJAARN Cc1[nH]c2ccc(F)cc2c1CCNS(=O)(=O)c1cc(C(C)C)ccc1C ZINC000001074519 209296954 /nfs/dbraw/zinc/29/69/54/209296954.db2.gz ULVPSLGFJYYQGC-UHFFFAOYSA-N 0 0 388.508 4.568 50 0 GJAARN CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000001066785 209295892 /nfs/dbraw/zinc/29/58/92/209295892.db2.gz PBEVMHPGDGVRJF-AWEZNQCLSA-N 0 0 385.411 4.501 50 0 GJAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1N1CCOCC1 ZINC000001065355 209295496 /nfs/dbraw/zinc/29/54/96/209295496.db2.gz RDTRHOYRLHCZPJ-UHFFFAOYSA-N 0 0 397.327 4.561 50 0 GJAARN CCOC(=O)c1cnn2c1N[C@H](c1ccc(C(C)C)cc1)C[C@H]2C(F)(F)F ZINC000001071566 209296280 /nfs/dbraw/zinc/29/62/80/209296280.db2.gz YTHKWYQPULVTLD-HOTGVXAUSA-N 0 0 381.398 4.844 50 0 GJAARN Cn1cc(Br)c(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1 ZINC000001037580 209291952 /nfs/dbraw/zinc/29/19/52/209291952.db2.gz NTSBSCQOCVJNCQ-UHFFFAOYSA-N 0 0 390.668 4.755 50 0 GJAARN COc1cc(NC(=O)c2c3ccccc3nnc2-c2ccccc2)cc(OC)c1 ZINC000001039983 209292905 /nfs/dbraw/zinc/29/29/05/209292905.db2.gz QBSBKJOQLVYXOV-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN CCOC(=O)c1sc(SCC(=O)c2ccc(Cl)cc2Cl)nc1C ZINC000001047416 209292672 /nfs/dbraw/zinc/29/26/72/209292672.db2.gz TUQSESBLCVABPU-UHFFFAOYSA-N 0 0 390.313 4.910 50 0 GJAARN O=C(CSc1ncc(C(F)(F)F)cc1C(F)(F)F)Nc1ccccc1 ZINC000001047999 209293665 /nfs/dbraw/zinc/29/36/65/209293665.db2.gz NSZLRELDNZELRD-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/28/79/35/209287935.db2.gz RZJTYSAZYMRSHE-HNNXBMFYSA-N 0 0 388.305 4.900 50 0 GJAARN COC(Cn1c(SCc2ccccc2Cl)nnc1-c1ccccc1)OC ZINC000001031598 209289814 /nfs/dbraw/zinc/28/98/14/209289814.db2.gz CBRLLRJXRRONQU-UHFFFAOYSA-N 0 0 389.908 4.510 50 0 GJAARN CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(Cl)ccc21 ZINC000001024519 209289866 /nfs/dbraw/zinc/28/98/66/209289866.db2.gz VJKCLYJOIXMANL-UHFFFAOYSA-N 0 0 394.780 4.946 50 0 GJAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1Br ZINC000001017159 209289450 /nfs/dbraw/zinc/28/94/50/209289450.db2.gz BNOBQQUDCIVBRE-TVQRCGJNSA-N 0 0 375.104 4.520 50 0 GJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 ZINC000000984868 209285929 /nfs/dbraw/zinc/28/59/29/209285929.db2.gz SDTIHMLZLCKOLP-HXUWFJFHSA-N 0 0 386.542 4.801 50 0 GJAARN CCNc1ccccc1C(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000000991891 209285715 /nfs/dbraw/zinc/28/57/15/209285715.db2.gz LRHXMTJSFZWXON-UHFFFAOYSA-N 0 0 389.451 4.737 50 0 GJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(=O)OC)cc1 ZINC000000949065 209282651 /nfs/dbraw/zinc/28/26/51/209282651.db2.gz BRJNWRQRSHFFIO-UHFFFAOYSA-N 0 0 378.428 4.559 50 0 GJAARN CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000000949951 209282293 /nfs/dbraw/zinc/28/22/93/209282293.db2.gz UUISJTZFLGYPHV-UHFFFAOYSA-N 0 0 386.908 4.690 50 0 GJAARN CCOc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000000939981 209281086 /nfs/dbraw/zinc/28/10/86/209281086.db2.gz MZEYPMNMJGKRTC-UHFFFAOYSA-N 0 0 394.345 4.895 50 0 biogenic GJAARN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000000942588 209281192 /nfs/dbraw/zinc/28/11/92/209281192.db2.gz VQZXFNJSWHFWTC-LJQANCHMSA-N 0 0 396.439 4.923 50 0 GJAARN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000000942587 209280581 /nfs/dbraw/zinc/28/05/81/209280581.db2.gz VQZXFNJSWHFWTC-IBGZPJMESA-N 0 0 396.439 4.923 50 0 GJAARN CCc1ccccc1NC1=C(Cl)C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000000941296 209280283 /nfs/dbraw/zinc/28/02/83/209280283.db2.gz NWKBTVYFRUSIKQ-UHFFFAOYSA-N 0 0 395.673 4.992 50 0 GJAARN O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(F)cc1 ZINC000000937473 209280420 /nfs/dbraw/zinc/28/04/20/209280420.db2.gz LWJILQZVZPLDFZ-UHFFFAOYSA-N 0 0 398.488 4.718 50 0 GJAARN CC[C@@H](C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000901080 209277963 /nfs/dbraw/zinc/27/79/63/209277963.db2.gz CUHNRKKWXFFOAW-VXGBXAGGSA-N 0 0 383.439 4.558 50 0 GJAARN CCOc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000000881509 209276578 /nfs/dbraw/zinc/27/65/78/209276578.db2.gz HTGAUXBTURCHNG-UHFFFAOYSA-N 0 0 391.496 4.724 50 0 GJAARN O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NCc1ccccn1 ZINC000009523619 209275346 /nfs/dbraw/zinc/27/53/46/209275346.db2.gz BENRHADETXVHQG-UHFFFAOYSA-N 0 0 389.886 4.597 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1Cl)COC(C)(C)C2 ZINC000000866576 209274546 /nfs/dbraw/zinc/27/45/46/209274546.db2.gz RMQSPYSCNGIWQY-UHFFFAOYSA-N 0 0 393.892 4.682 50 0 GJAARN CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(CC)CC)c1ccccc1CC2 ZINC000000869960 209274211 /nfs/dbraw/zinc/27/42/11/209274211.db2.gz PKVSXVOAGGXVLM-UHFFFAOYSA-N 0 0 381.476 4.954 50 0 biogenic GJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1OC ZINC000000855013 209272583 /nfs/dbraw/zinc/27/25/83/209272583.db2.gz RNJXOTVZQLOACR-UHFFFAOYSA-N 0 0 381.453 4.853 50 0 GJAARN O=c1c2ccccc2nc(CSc2ccccn2)n1-c1ccccc1Cl ZINC000000828946 209270497 /nfs/dbraw/zinc/27/04/97/209270497.db2.gz UTCBHPYMGPZGFK-UHFFFAOYSA-N 0 0 379.872 4.726 50 0 GJAARN C[C@H](NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21)c1ccccc1 ZINC000000818532 209269524 /nfs/dbraw/zinc/26/95/24/209269524.db2.gz UUJXPTHUSLPCJX-INIZCTEOSA-N 0 0 388.492 4.811 50 0 GJAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCC[C@@H]4C)c3n2)cc1 ZINC000000815322 209268089 /nfs/dbraw/zinc/26/80/89/209268089.db2.gz NVPUMSULWSYBAH-AWEZNQCLSA-N 0 0 384.430 4.657 50 0 GJAARN Cc1cccc(C(=O)N[C@@H](Nc2ccccc2F)C(Cl)(Cl)Cl)c1 ZINC000000824896 209269487 /nfs/dbraw/zinc/26/94/87/209269487.db2.gz DNYZCXBCXDVVSD-OAHLLOKOSA-N 0 0 375.658 4.672 50 0 GJAARN Cc1ccc(F)cc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000000803920 209267148 /nfs/dbraw/zinc/26/71/48/209267148.db2.gz GCCYWCSNEPJGOD-UHFFFAOYSA-N 0 0 378.432 4.640 50 0 GJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)NCc1ccc(Cl)cc1 ZINC000000803918 209266736 /nfs/dbraw/zinc/26/67/36/209266736.db2.gz VDEFADNQFPVXOB-UHFFFAOYSA-N 0 0 394.887 4.524 50 0 GJAARN COC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000000715537 209261732 /nfs/dbraw/zinc/26/17/32/209261732.db2.gz GRGCXORMKXVICK-UHFFFAOYSA-N 0 0 382.419 4.557 50 0 GJAARN CCOC(=O)c1cnn2c1nc(-c1ccc3ccccc3c1)cc2C(F)(F)F ZINC000000721183 209262560 /nfs/dbraw/zinc/26/25/60/209262560.db2.gz VDLKMBVSFAPMGS-UHFFFAOYSA-N 0 0 385.345 4.745 50 0 GJAARN Cc1cc(C)n(-c2ncnc3scc(-c4ccc(Br)cc4)c32)n1 ZINC000000707049 209261107 /nfs/dbraw/zinc/26/11/07/209261107.db2.gz ADYLBGMEMMPRKY-UHFFFAOYSA-N 0 0 385.290 4.923 50 0 GJAARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1F ZINC000000703766 209260514 /nfs/dbraw/zinc/26/05/14/209260514.db2.gz CLBQWKRNDWCAEB-UHFFFAOYSA-N 0 0 388.236 4.931 50 0 GJAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1 ZINC000000703872 209260536 /nfs/dbraw/zinc/26/05/36/209260536.db2.gz ZDQAMGBZVJEZID-SFHVURJKSA-N 0 0 385.442 4.744 50 0 GJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(Cl)c1)Nc1ccccc1-2 ZINC000000683738 209258822 /nfs/dbraw/zinc/25/88/22/209258822.db2.gz BNHAHSQCBJDNGF-INIZCTEOSA-N 0 0 386.864 4.513 50 0 GJAARN CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000000664048 209257146 /nfs/dbraw/zinc/25/71/46/209257146.db2.gz RBIAJAHXHOYAEX-KBPBESRZSA-N 0 0 392.956 4.500 50 0 GJAARN Cc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)OC(C)C)c1C ZINC000000668772 209256929 /nfs/dbraw/zinc/25/69/29/209256929.db2.gz KPQARNBRYJOUHL-UHFFFAOYSA-N 0 0 396.306 4.945 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(Cl)cc2F)cc(OCC)c1OCC ZINC000000657337 209255504 /nfs/dbraw/zinc/25/55/04/209255504.db2.gz XVXVWIVQIVQCOP-UHFFFAOYSA-N 0 0 381.831 4.928 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 ZINC000000633149 209253292 /nfs/dbraw/zinc/25/32/92/209253292.db2.gz YUUJAYGZEWMISP-UHFFFAOYSA-N 0 0 399.450 4.809 50 0 GJAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1 ZINC000000633929 209252733 /nfs/dbraw/zinc/25/27/33/209252733.db2.gz IRCGBXNMCPLAFL-UHFFFAOYSA-N 0 0 378.906 4.542 50 0 GJAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000000635794 209252771 /nfs/dbraw/zinc/25/27/71/209252771.db2.gz NAWVBLZNAIAHLQ-VXKWHMMOSA-N 0 0 398.491 4.861 50 0 GJAARN CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000643871 209253644 /nfs/dbraw/zinc/25/36/44/209253644.db2.gz AZJWJWVHJSFBQK-OAHLLOKOSA-N 0 0 384.545 4.901 50 0 GJAARN O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1Sc1ccccc1 ZINC000000643375 209253737 /nfs/dbraw/zinc/25/37/37/209253737.db2.gz QPXRRRSYDYJQAD-UHFFFAOYSA-N 0 0 392.505 4.853 50 0 GJAARN O=C(COc1cccc(Cl)c1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000000629894 209251951 /nfs/dbraw/zinc/25/19/51/209251951.db2.gz BUPSFDMTQAFXMK-UHFFFAOYSA-N 0 0 387.863 4.847 50 0 GJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2Cl)NC(=O)N1 ZINC000000626446 209251124 /nfs/dbraw/zinc/25/11/24/209251124.db2.gz DUUIQLCVZDSIRH-SFHVURJKSA-N 0 0 376.884 4.624 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](Nc2ccccc2Cl)C(=O)c2ccccc2)cc1 ZINC000000622981 209249937 /nfs/dbraw/zinc/24/99/37/209249937.db2.gz VROMYFMJSQIRBJ-OAQYLSRUSA-N 0 0 378.859 4.699 50 0 GJAARN CCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1OC(=O)C(C)(C)C ZINC000100597935 209244937 /nfs/dbraw/zinc/24/49/37/209244937.db2.gz BUYDWMBIMWBQGN-UYRXBGFRSA-N 0 0 394.471 4.849 50 0 GJAARN CCCCn1nc(C)c(/C=C\C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1Cl ZINC000096401211 209240209 /nfs/dbraw/zinc/24/02/09/209240209.db2.gz ARVPISYXZCHIHH-UPZNUWHASA-N 0 0 381.854 4.814 50 0 GJAARN COC(=O)c1cc2c3ccccc3[nH]c2c(-c2cccc(Br)c2)n1 ZINC000005957495 209233345 /nfs/dbraw/zinc/23/33/45/209233345.db2.gz OTLARVHEQRFRQK-UHFFFAOYSA-N 0 0 381.229 4.932 50 0 biogenic GJAARN COc1ccccc1-c1coc2cc(OC(=O)c3ccccc3C)ccc2c1=O ZINC000000946548 209227557 /nfs/dbraw/zinc/22/75/57/209227557.db2.gz ODWLWNPLEQNSCQ-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 biogenic GJAARN Fc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263616062 209225085 /nfs/dbraw/zinc/22/50/85/209225085.db2.gz GTZIECXDBWPYFI-GOSISDBHSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1ccc(C)c(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000000993875 209287154 /nfs/dbraw/zinc/28/71/54/209287154.db2.gz GHHINWKZYQBAJX-UHFFFAOYSA-N 0 0 385.632 4.814 50 0 GJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2OC)c1 ZINC000245256801 209217695 /nfs/dbraw/zinc/21/76/95/209217695.db2.gz TUMMYJOEZSOHAQ-QPPBQGQZSA-N 0 0 386.451 4.946 50 0 GJAARN Cn1cc(CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c2ccccc21 ZINC000253395576 209217361 /nfs/dbraw/zinc/21/73/61/209217361.db2.gz AMJVHJDOAWRDHN-QFIPXVFZSA-N 0 0 386.499 4.741 50 0 biogenic GJAARN O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(CCc2ccccn2)c1 ZINC000098064872 212076304 /nfs/dbraw/zinc/07/63/04/212076304.db2.gz YLKABKXAWARZBH-FYWRMAATSA-N 0 0 398.915 4.933 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000005243682 212064703 /nfs/dbraw/zinc/06/47/03/212064703.db2.gz WVUJXJMKIVPSBH-UHFFFAOYSA-N 0 0 379.416 4.589 50 0 GJAARN COc1cccc(-c2cn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=N)n2C)c1 ZINC000334157501 212042344 /nfs/dbraw/zinc/04/23/44/212042344.db2.gz CWVFMNNMMRFUNB-UHFFFAOYSA-N 0 0 397.478 4.532 50 0 GJAARN Cc1c(-c2ccccc2)nn(C)c1NC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000299776749 212034691 /nfs/dbraw/zinc/03/46/91/212034691.db2.gz GWLPFTPOZDRGGP-IBGZPJMESA-N 0 0 375.476 4.550 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)NCCSC(C)(C)C)cn1 ZINC000299786801 212036726 /nfs/dbraw/zinc/03/67/26/212036726.db2.gz PPRLLKZICUHAFJ-UHFFFAOYSA-N 0 0 375.494 4.536 50 0 GJAARN Cc1ccc(-c2ccncc2)cc1NC(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000096315896 203832971 /nfs/dbraw/zinc/83/29/71/203832971.db2.gz FAXDSHIGDWNMNS-NTMALXAHSA-N 0 0 380.451 4.895 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)n2cc(C)ccc12 ZINC000000626846 203841961 /nfs/dbraw/zinc/84/19/61/203841961.db2.gz GULBSJZWFYJBTK-UHFFFAOYSA-N 0 0 376.239 4.962 50 0 GJAARN Cc1cccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1C ZINC000000646278 203844793 /nfs/dbraw/zinc/84/47/93/203844793.db2.gz ZMYOMHLSDQEMMH-KRWDZBQOSA-N 0 0 386.757 4.766 50 0 GJAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000001172893 203893094 /nfs/dbraw/zinc/89/30/94/203893094.db2.gz BSYKEWWUPYXMKJ-GFCCVEGCSA-N 0 0 376.909 4.615 50 0 GJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000000841956 203858812 /nfs/dbraw/zinc/85/88/12/203858812.db2.gz MQIKRBUOIVQHJQ-JOCHJYFZSA-N 0 0 380.451 4.863 50 0 GJAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1OC ZINC000000916785 203864697 /nfs/dbraw/zinc/86/46/97/203864697.db2.gz MUJFEBDHDMUXDH-HTAPYJJXSA-N 0 0 376.412 4.539 50 0 GJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3c(C)cccc3C)cs2)cc1 ZINC000009625386 203864972 /nfs/dbraw/zinc/86/49/72/203864972.db2.gz VCQFLSASSQLPEA-UHFFFAOYSA-N 0 0 394.500 4.894 50 0 GJAARN CCOc1ccccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000000956495 203868178 /nfs/dbraw/zinc/86/81/78/203868178.db2.gz VDUKXNFRQZMXNL-UHFFFAOYSA-N 0 0 377.440 4.682 50 0 GJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000000972712 203869763 /nfs/dbraw/zinc/86/97/63/203869763.db2.gz JYVUBDBKEXDQOB-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN Cc1cccc(N2CCN(C(=O)/C=C/c3c(Cl)cccc3Cl)CC2)c1C ZINC000000997332 203871275 /nfs/dbraw/zinc/87/12/75/203871275.db2.gz LICLTDXTFSYVBE-MDZDMXLPSA-N 0 0 389.326 4.972 50 0 GJAARN CCOC(=O)c1sc(COc2ccc(C3SCCS3)cc2)nc1C ZINC000001047441 203877557 /nfs/dbraw/zinc/87/75/57/203877557.db2.gz WPGOKBVGIDTWKG-UHFFFAOYSA-N 0 0 381.544 4.686 50 0 GJAARN COc1ccc([C@@H](NC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000001131459 203887807 /nfs/dbraw/zinc/88/78/07/203887807.db2.gz ROEZAEYGTHWKSI-FQEVSTJZSA-N 0 0 396.284 4.977 50 0 GJAARN C[C@H]1CN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C[C@H](C)O1 ZINC000001142178 203888767 /nfs/dbraw/zinc/88/87/67/203888767.db2.gz BPOHPHAZXZWCSR-ROUUACIJSA-N 0 0 381.516 4.813 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc3ccccc32)c(C)c1 ZINC000001154331 203890139 /nfs/dbraw/zinc/89/01/39/203890139.db2.gz GFXQSOJJOANUKX-QFIPXVFZSA-N 0 0 385.467 4.723 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000001154834 203890368 /nfs/dbraw/zinc/89/03/68/203890368.db2.gz OWTSLPXQWNEWMN-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1ccccc1Br ZINC000001162823 203891137 /nfs/dbraw/zinc/89/11/37/203891137.db2.gz KFSLRFWIPVMBNT-UHFFFAOYSA-N 0 0 388.290 4.585 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)c1cccnc1SCCC(F)=C(F)F ZINC000001402587 203906415 /nfs/dbraw/zinc/90/64/15/203906415.db2.gz REENIEBZAHBDHH-UHFFFAOYSA-N 0 0 382.363 4.622 50 0 GJAARN CCCCOC(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 ZINC000001871169 203922204 /nfs/dbraw/zinc/92/22/04/203922204.db2.gz UYKJLXHEJNMNOW-UHFFFAOYSA-N 0 0 397.500 4.705 50 0 GJAARN O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cccc(Cl)c1Cl ZINC000001949668 203923439 /nfs/dbraw/zinc/92/34/39/203923439.db2.gz NABHXWHEBDGYOJ-MLPAPPSSSA-N 0 0 397.601 4.900 50 0 GJAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2F)c(-c2ccccc2)c1=O ZINC000002197228 203929986 /nfs/dbraw/zinc/92/99/86/203929986.db2.gz WZVBTIVJKGTEJS-UHFFFAOYSA-N 0 0 399.425 4.599 50 0 GJAARN CCc1ccc(-c2nc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn3n2)cc1 ZINC000002215730 203930846 /nfs/dbraw/zinc/93/08/46/203930846.db2.gz JAJDCUOOBUQPQS-UHFFFAOYSA-N 0 0 388.862 4.654 50 0 GJAARN Cc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)[C@H]2CCOC(C)(C)C2)cc1 ZINC000002299068 203936272 /nfs/dbraw/zinc/93/62/72/203936272.db2.gz BDSWUGIHYGTWRP-VQTJNVASSA-N 0 0 391.511 4.970 50 0 GJAARN Cc1nn(-c2ccccc2C)c2sc(C(=O)NCc3ccc(C)cc3)cc12 ZINC000002410227 203943440 /nfs/dbraw/zinc/94/34/40/203943440.db2.gz TVPXKYZSSDDLMJ-UHFFFAOYSA-N 0 0 375.497 4.942 50 0 GJAARN Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1Cl ZINC000002427878 203944139 /nfs/dbraw/zinc/94/41/39/203944139.db2.gz IXWXLPPOVROKCD-UHFFFAOYSA-N 0 0 384.814 4.623 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c(Br)cccc12 ZINC000001216625 203898424 /nfs/dbraw/zinc/89/84/24/203898424.db2.gz NXMVFPFFBDMRMZ-UHFFFAOYSA-N 0 0 384.229 4.626 50 0 GJAARN O=C(NC1CCCCCC1)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000002787886 203963169 /nfs/dbraw/zinc/96/31/69/203963169.db2.gz LUAASGBDQDEXOZ-UHFFFAOYSA-N 0 0 382.291 4.679 50 0 GJAARN O=C1O[C@](Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc21 ZINC000002893092 203972162 /nfs/dbraw/zinc/97/21/62/203972162.db2.gz IGCDQVLGLJPBHQ-HXUWFJFHSA-N 0 0 380.241 4.933 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)cc1)Nc1ccccc1-2 ZINC000002915859 203973324 /nfs/dbraw/zinc/97/33/24/203973324.db2.gz VPOPETLAHVFUDN-SFHVURJKSA-N 0 0 380.473 4.640 50 0 GJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1Cl ZINC000003230241 203990128 /nfs/dbraw/zinc/99/01/28/203990128.db2.gz VFAROGSVWBCCAW-UHFFFAOYSA-N 0 0 394.858 4.557 50 0 GJAARN Fc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1 ZINC000002622405 203951742 /nfs/dbraw/zinc/95/17/42/203951742.db2.gz QWOWEYAAVVYOHE-UHFFFAOYSA-N 0 0 383.604 4.871 50 0 GJAARN CC1CCN(Cn2nc(-c3cccc(F)c3)n(-c3ccccc3)c2=S)CC1 ZINC000004320377 204037879 /nfs/dbraw/zinc/03/78/79/204037879.db2.gz UUDCFBLAEUBLIT-UHFFFAOYSA-N 0 0 382.508 4.899 50 0 GJAARN COCCNc1nnc(SCc2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000003332695 203999102 /nfs/dbraw/zinc/99/91/02/203999102.db2.gz OEEIEQBCIZBDDC-UHFFFAOYSA-N 0 0 398.966 4.666 50 0 GJAARN Fc1ccc(OCCCSc2nnc(NCc3ccccc3)s2)cc1 ZINC000003353609 204000147 /nfs/dbraw/zinc/00/01/47/204000147.db2.gz MUKMEERZTOJQCJ-UHFFFAOYSA-N 0 0 375.494 4.851 50 0 GJAARN O=C(CN1c2cccc3cccc(c23)C1=O)NC(c1ccccc1)c1ccccc1 ZINC000003347171 204000835 /nfs/dbraw/zinc/00/08/35/204000835.db2.gz XIOCUMLOWMXYIV-UHFFFAOYSA-N 0 0 392.458 4.706 50 0 GJAARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 ZINC000003374012 204002359 /nfs/dbraw/zinc/00/23/59/204002359.db2.gz MLDFNZNCNUMZPV-UHFFFAOYSA-N 0 0 385.419 4.797 50 0 GJAARN Cc1cccc(-c2nnc(SCc3cc(=O)oc4c(C)c(C)ccc34)n2C)c1 ZINC000003391167 204003737 /nfs/dbraw/zinc/00/37/37/204003737.db2.gz FLJOCLQGQYZDNY-UHFFFAOYSA-N 0 0 391.496 4.806 50 0 GJAARN O=C(Cc1ccsc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000003419475 204005405 /nfs/dbraw/zinc/00/54/05/204005405.db2.gz XVZOWXYRLCDJGI-OAQYLSRUSA-N 0 0 384.428 4.781 50 0 GJAARN Cn1c(=O)c2c3c(sc2nc1SCc1c(F)cccc1Cl)CCC3 ZINC000003445468 204007730 /nfs/dbraw/zinc/00/77/30/204007730.db2.gz BJLRMNJOAGSWGV-UHFFFAOYSA-N 0 0 380.897 4.569 50 0 GJAARN O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(C(F)(F)F)cc1 ZINC000003446209 204008326 /nfs/dbraw/zinc/00/83/26/204008326.db2.gz QAZLYAJLHSCMRS-UHFFFAOYSA-N 0 0 376.205 4.914 50 0 GJAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1C(F)(F)F ZINC000003475193 204009205 /nfs/dbraw/zinc/00/92/05/204009205.db2.gz LVMRXHINTHOIMM-UHFFFAOYSA-N 0 0 385.392 4.548 50 0 GJAARN Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1Cc1cccs1 ZINC000003493740 204009928 /nfs/dbraw/zinc/00/99/28/204009928.db2.gz DNLKOEUEKMHMGC-UHFFFAOYSA-N 0 0 393.464 4.583 50 0 aggregator GJAARN COc1ccc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000003504419 204010024 /nfs/dbraw/zinc/01/00/24/204010024.db2.gz FMMJLAUYGMXSHC-UHFFFAOYSA-N 0 0 389.495 4.884 50 0 GJAARN O=C(Nc1ccccc1)c1ccccc1OCc1nnc(-c2cccs2)o1 ZINC000003503779 204010316 /nfs/dbraw/zinc/01/03/16/204010316.db2.gz BROYFATXPGVDDI-UHFFFAOYSA-N 0 0 377.425 4.629 50 0 GJAARN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2SCC(C)C)cc1 ZINC000003511943 204011510 /nfs/dbraw/zinc/01/15/10/204011510.db2.gz CHXXDHVIULKEET-ZDLGFXPLSA-N 0 0 394.496 4.857 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@@H](NC(=O)Cc2cccs2)c2ccccc2)cc1 ZINC000003615567 204015237 /nfs/dbraw/zinc/01/52/37/204015237.db2.gz ASANOERJDLMADI-QFIPXVFZSA-N 0 0 392.524 4.910 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N2CCC(C)CC2)cc1 ZINC000003614381 204015836 /nfs/dbraw/zinc/01/58/36/204015836.db2.gz UAJLFSGGSFDSFY-HSZRJFAPSA-N 0 0 394.515 4.950 50 0 GJAARN CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004064403 204025240 /nfs/dbraw/zinc/02/52/40/204025240.db2.gz ZYPZUNSVMUIZNX-INIZCTEOSA-N 0 0 385.291 4.745 50 0 GJAARN C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1ccccc1 ZINC000004134819 204029449 /nfs/dbraw/zinc/02/94/49/204029449.db2.gz CBYLONQVHNNZGI-NSHDSACASA-N 0 0 389.274 4.863 50 0 GJAARN O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1F ZINC000004225246 204033549 /nfs/dbraw/zinc/03/35/49/204033549.db2.gz TYHOQPLIKWWQNO-LJQANCHMSA-N 0 0 399.469 4.939 50 0 GJAARN CCSc1nc2ccccc2n1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000004264146 204035895 /nfs/dbraw/zinc/03/58/95/204035895.db2.gz LBEVAJFFERYVSL-ZHACJKMWSA-N 0 0 398.484 4.528 50 0 GJAARN Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)no1 ZINC000004705497 204066931 /nfs/dbraw/zinc/06/69/31/204066931.db2.gz FCOFTEIMULPZFX-UHFFFAOYSA-N 0 0 390.468 4.567 50 0 GJAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)C1(C)C ZINC000004717199 204067498 /nfs/dbraw/zinc/06/74/98/204067498.db2.gz ODVRQBMHIDGPLA-AZUAARDMSA-N 0 0 395.572 4.697 50 0 GJAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1nccs1 ZINC000004724531 204069581 /nfs/dbraw/zinc/06/95/81/204069581.db2.gz NSWQAOWDOBCLIO-FLIBITNWSA-N 0 0 390.443 4.787 50 0 GJAARN COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733607 204070471 /nfs/dbraw/zinc/07/04/71/204070471.db2.gz LIBAHFQQLLYMKS-UHFFFAOYSA-N 0 0 387.439 4.833 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2F)C1C(=O)OCC ZINC000004735579 204071089 /nfs/dbraw/zinc/07/10/89/204071089.db2.gz CUXUJEXWGZBFBU-FQEVSTJZSA-N 0 0 379.435 4.808 50 0 GJAARN CC1=Nc2nc3ccccc3n2[C@@H](c2cc(F)cc(F)c2)C1C(=O)OC(C)C ZINC000004742027 204072405 /nfs/dbraw/zinc/07/24/05/204072405.db2.gz YIVDDNBFAOWJSX-IBGZPJMESA-N 0 0 383.398 4.555 50 0 GJAARN CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004816669 204077895 /nfs/dbraw/zinc/07/78/95/204077895.db2.gz CFBOJDMGDJBKLH-MOPGFXCFSA-N 0 0 380.879 4.717 50 0 GJAARN CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004816670 204078323 /nfs/dbraw/zinc/07/83/23/204078323.db2.gz CFBOJDMGDJBKLH-RTBURBONSA-N 0 0 380.879 4.717 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000004811319 204078347 /nfs/dbraw/zinc/07/83/47/204078347.db2.gz QDFYVWRFPZHCGO-ISKFKSNPSA-N 0 0 386.451 4.946 50 0 GJAARN Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3C(=O)c3ccccc32)cc1 ZINC000004818967 204078842 /nfs/dbraw/zinc/07/88/42/204078842.db2.gz HABJWTMJQUIKSY-UHFFFAOYSA-N 0 0 376.459 4.778 50 0 GJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000004834840 204080949 /nfs/dbraw/zinc/08/09/49/204080949.db2.gz APWUUQHCHZXLEP-UHFFFAOYSA-N 0 0 393.390 4.795 50 0 GJAARN O=c1c2c(-c3ccc(Br)cc3)csc2ncn1-c1ccccc1 ZINC000004833879 204081250 /nfs/dbraw/zinc/08/12/50/204081250.db2.gz YNPJWAYRDDIFNO-UHFFFAOYSA-N 0 0 383.270 4.877 50 0 GJAARN COc1cc(NC(=O)c2ccccc2Oc2ccccc2)cc(OC)c1OC ZINC000004834731 204081338 /nfs/dbraw/zinc/08/13/38/204081338.db2.gz KGRIYDYEUOVAOZ-UHFFFAOYSA-N 0 0 379.412 4.757 50 0 GJAARN COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)c1 ZINC000004841155 204082361 /nfs/dbraw/zinc/08/23/61/204082361.db2.gz VAYPBEALOQAQPK-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc(Br)c1 ZINC000004873808 204084445 /nfs/dbraw/zinc/08/44/45/204084445.db2.gz LOTSHBWGSOVVBK-UHFFFAOYSA-N 0 0 388.290 4.570 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1OC ZINC000004880909 204085273 /nfs/dbraw/zinc/08/52/73/204085273.db2.gz GBFGFCUGQFYLPS-UHFFFAOYSA-N 0 0 392.333 4.630 50 0 GJAARN CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000004875272 204085303 /nfs/dbraw/zinc/08/53/03/204085303.db2.gz MWADNPYAIBPPHE-UHFFFAOYSA-N 0 0 383.853 4.689 50 0 GJAARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)N=C2SC)cc1 ZINC000004883188 204086618 /nfs/dbraw/zinc/08/66/18/204086618.db2.gz SMNKAKWTZGTAKE-XSFVSMFZSA-N 0 0 396.512 4.979 50 0 GJAARN COc1ccccc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000004885456 204087408 /nfs/dbraw/zinc/08/74/08/204087408.db2.gz URMFDJYIZHJHEX-UHFFFAOYSA-N 0 0 385.895 4.574 50 0 GJAARN CCOc1ccc(CNC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1 ZINC000004901221 204088217 /nfs/dbraw/zinc/08/82/17/204088217.db2.gz NJXLVRZFZJCQKM-UHFFFAOYSA-N 0 0 392.480 4.787 50 0 GJAARN CCOc1ccccc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000004909618 204090165 /nfs/dbraw/zinc/09/01/65/204090165.db2.gz AESPVYTZOURBKL-UHFFFAOYSA-N 0 0 399.922 4.964 50 0 GJAARN Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000004920704 204092513 /nfs/dbraw/zinc/09/25/13/204092513.db2.gz KFAPICJTIFBFTA-UHFFFAOYSA-N 0 0 375.350 4.635 50 0 GJAARN O=C1c2ccccc2[C@H](Nc2ccc(Br)cc2F)N1c1cccnc1 ZINC000004918085 204090810 /nfs/dbraw/zinc/09/08/10/204090810.db2.gz SRMFOCTTWOUXRS-GOSISDBHSA-N 0 0 398.235 4.754 50 0 GJAARN CCc1nc(SCc2cccc(C)c2)n(C)c(=O)c1Cc1cccc(C)c1 ZINC000004489935 204046890 /nfs/dbraw/zinc/04/68/90/204046890.db2.gz GYCMKWDOAQKZBV-UHFFFAOYSA-N 0 0 378.541 4.843 50 0 GJAARN Cc1cc(NC(=O)CSc2ccccc2)ccc1NC(=O)Cc1cccs1 ZINC000004487592 204047590 /nfs/dbraw/zinc/04/75/90/204047590.db2.gz QTPKZUJRZFBSRC-UHFFFAOYSA-N 0 0 396.537 4.969 50 0 GJAARN O=C(N[C@@H]1CCCc2ccccc21)c1cc2c(s1)c1ccccc1oc2=O ZINC000004563714 204053548 /nfs/dbraw/zinc/05/35/48/204053548.db2.gz UPRDJEHYJGXFCP-QGZVFWFLSA-N 0 0 375.449 4.815 50 0 GJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(CC)cc4)c3)nn12 ZINC000004556479 204053752 /nfs/dbraw/zinc/05/37/52/204053752.db2.gz PNPHXCLJDZSGGG-UHFFFAOYSA-N 0 0 391.500 4.538 50 0 GJAARN CCCCN1c2ccccc2[C@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)C1=O ZINC000004554964 204053876 /nfs/dbraw/zinc/05/38/76/204053876.db2.gz BWOFNWHJUJWILB-RUZDIDTESA-N 0 0 393.527 4.836 50 0 GJAARN CCOc1cc(C(=O)N[C@H](C)c2ccc(CC)cc2)cc(OCC)c1OCC ZINC000004573170 204055216 /nfs/dbraw/zinc/05/52/16/204055216.db2.gz BHFUGPWHCXEANN-MRXNPFEDSA-N 0 0 385.504 4.936 50 0 GJAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)cc3)n3ccccc23)cc1 ZINC000004585214 204055605 /nfs/dbraw/zinc/05/56/05/204055605.db2.gz YCKVDVIEMKWDQP-UHFFFAOYSA-N 0 0 383.451 4.622 50 0 GJAARN COc1cccc(C2=N/C(=C\c3ccccc3OCc3ccc(C)cc3)C(=O)O2)c1 ZINC000004592763 204056294 /nfs/dbraw/zinc/05/62/94/204056294.db2.gz KNJLDZXDWXAWGH-JCMHNJIXSA-N 0 0 399.446 4.927 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3ccccc3n2)cc1OC ZINC000004611811 204058700 /nfs/dbraw/zinc/05/87/00/204058700.db2.gz PUERRDXTUCPOCV-INIZCTEOSA-N 0 0 390.483 4.791 50 0 GJAARN O=C(Cc1cccs1)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000004660035 204060659 /nfs/dbraw/zinc/06/06/59/204060659.db2.gz WMOZGQUFXWHSKB-UHFFFAOYSA-N 0 0 398.915 4.555 50 0 GJAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Br)cc1 ZINC000004688533 204063843 /nfs/dbraw/zinc/06/38/43/204063843.db2.gz DQTQVLVJKPFAJN-UHFFFAOYSA-N 0 0 379.685 4.955 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc(C)c(Oc2nc(Cc3ccccc3)ns2)c1 ZINC000004929292 204091683 /nfs/dbraw/zinc/09/16/83/204091683.db2.gz RUTLAULLCDBHRE-HNNXBMFYSA-N 0 0 381.501 4.758 50 0 GJAARN CC[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000004687452 204064735 /nfs/dbraw/zinc/06/47/35/204064735.db2.gz OQAQPHJVAWDADM-SGEFVQMOSA-N 0 0 386.904 4.954 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1c(F)cccc1Cl ZINC000005099332 204111273 /nfs/dbraw/zinc/11/12/73/204111273.db2.gz ZZALTMPLMGBWEP-UHFFFAOYSA-N 0 0 398.821 4.917 50 0 GJAARN O=C(Cc1cccc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005094312 204111435 /nfs/dbraw/zinc/11/14/35/204111435.db2.gz ONDZSQANFCPBEP-UHFFFAOYSA-N 0 0 398.428 4.750 50 0 GJAARN C[C@@H](NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000005357869 204128101 /nfs/dbraw/zinc/12/81/01/204128101.db2.gz HUMGMRUBCLKIFW-MLUODQQZSA-N 0 0 396.490 4.891 50 0 biogenic GJAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 ZINC000005136417 204113582 /nfs/dbraw/zinc/11/35/82/204113582.db2.gz FXMORNQTRUBTCY-UHFFFAOYSA-N 0 0 390.405 4.893 50 0 GJAARN Cc1cc2sc(N3CCC(C(=O)NCc4ccccc4F)CC3)nc2c(C)c1 ZINC000005137139 204114531 /nfs/dbraw/zinc/11/45/31/204114531.db2.gz JMRKCAFNWDZYMQ-UHFFFAOYSA-N 0 0 397.519 4.585 50 0 GJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2)c1 ZINC000005157731 204114900 /nfs/dbraw/zinc/11/49/00/204114900.db2.gz ACOVWVRQYXXCPT-LADGPHEKSA-N 0 0 386.451 4.946 50 0 GJAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)Nc3ccccc3)c(C)c12 ZINC000005150795 204115351 /nfs/dbraw/zinc/11/53/51/204115351.db2.gz QSGPEDYNGRHETD-UHFFFAOYSA-N 0 0 384.483 4.917 50 0 GJAARN Fc1ccc(-n2ncc3c4nc(-c5ccc(Cl)c(Cl)c5)nn4cnc32)cc1 ZINC000005157142 204115667 /nfs/dbraw/zinc/11/56/67/204115667.db2.gz CIPAQUAYWGDCEK-UHFFFAOYSA-N 0 0 399.216 4.576 50 0 GJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)cc1 ZINC000005163265 204117078 /nfs/dbraw/zinc/11/70/78/204117078.db2.gz YPPJZKUHUKOMQJ-LJQANCHMSA-N 0 0 397.478 4.614 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCCC2 ZINC000005198669 204117877 /nfs/dbraw/zinc/11/78/77/204117877.db2.gz BMCDATFUKZCTHG-UHFFFAOYSA-N 0 0 387.501 4.843 50 0 GJAARN CCc1ccc(-c2nc(SCC(=O)c3cc(C)n(C4CC4)c3C)n[nH]2)cc1 ZINC000005180482 204117974 /nfs/dbraw/zinc/11/79/74/204117974.db2.gz YQFFNDYVOWHAMK-UHFFFAOYSA-N 0 0 380.517 4.762 50 0 GJAARN O=C1Nc2cc(Cl)c(Cl)cc2N(O)N1c1ccc(Br)cc1 ZINC000005200992 204118195 /nfs/dbraw/zinc/11/81/95/204118195.db2.gz DIJCFOFFLMIZTK-UHFFFAOYSA-N 0 0 389.036 4.919 50 0 GJAARN Cc1ccc(Sc2ncccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000005218235 204120199 /nfs/dbraw/zinc/12/01/99/204120199.db2.gz JZHANKKTGYDGST-UHFFFAOYSA-N 0 0 387.508 4.995 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1)Nc1ccccc1-2 ZINC000005309549 204124385 /nfs/dbraw/zinc/12/43/85/204124385.db2.gz XTVPBPWZYGPSCV-SFHVURJKSA-N 0 0 380.473 4.640 50 0 GJAARN COc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1Cl ZINC000004923597 204092729 /nfs/dbraw/zinc/09/27/29/204092729.db2.gz JRECHHDZZFAGEG-UHFFFAOYSA-N 0 0 379.851 4.838 50 0 GJAARN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCCC(C)C)cc2N(C)C1=O ZINC000004932211 204093743 /nfs/dbraw/zinc/09/37/43/204093743.db2.gz YGQFINZAWRDTQI-STZFKDTASA-N 0 0 394.540 4.881 50 0 GJAARN Cc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1F ZINC000004937751 204094103 /nfs/dbraw/zinc/09/41/03/204094103.db2.gz YLDSMURDPLVWJT-GYHWCHFESA-N 0 0 393.439 4.946 50 0 GJAARN COc1ccc(N(C)C(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1 ZINC000004939389 204094632 /nfs/dbraw/zinc/09/46/32/204094632.db2.gz BTHGERSAKMRSPW-UHFFFAOYSA-N 0 0 379.437 4.601 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000004959057 204096493 /nfs/dbraw/zinc/09/64/93/204096493.db2.gz JIXWSHNIDIZROV-UHFFFAOYSA-N 0 0 377.346 4.991 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000004949006 204096577 /nfs/dbraw/zinc/09/65/77/204096577.db2.gz JRVICUMAAIXZBF-OAQYLSRUSA-N 0 0 397.471 4.692 50 0 GJAARN CCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)CC)cc1)[C@H](C)CC ZINC000004977801 204099085 /nfs/dbraw/zinc/09/90/85/204099085.db2.gz CKVKLWFKUTZIDL-QGZVFWFLSA-N 0 0 383.554 4.513 50 0 GJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccccc1F ZINC000005016890 204103161 /nfs/dbraw/zinc/10/31/61/204103161.db2.gz ZLPMVRXFVUWCII-UHFFFAOYSA-N 0 0 392.455 4.826 50 0 GJAARN C[C@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000005019059 204103360 /nfs/dbraw/zinc/10/33/60/204103360.db2.gz VCWJAZLQLMVXRH-NSHDSACASA-N 0 0 398.311 4.734 50 0 GJAARN C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc2c(c1)OCCO2 ZINC000005050925 204107649 /nfs/dbraw/zinc/10/76/49/204107649.db2.gz XADWRNAKNHNSLZ-CYBMUJFWSA-N 0 0 393.464 4.570 50 0 GJAARN Cc1oc(-c2ccccc2C)nc1CSCC(=O)N1CCc2ccccc2C1 ZINC000005057454 204108821 /nfs/dbraw/zinc/10/88/21/204108821.db2.gz QHCOVOMICYPHRR-UHFFFAOYSA-N 0 0 392.524 4.777 50 0 GJAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OC(C)C ZINC000005703046 204148079 /nfs/dbraw/zinc/14/80/79/204148079.db2.gz BTKUCMWMHGOVDX-JYRVWZFOSA-N 0 0 377.849 4.542 50 0 GJAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H](C)CC)cc1 ZINC000005736974 204149022 /nfs/dbraw/zinc/14/90/22/204149022.db2.gz FVYFSIYBJASOJN-SCLBCKFNSA-N 0 0 389.521 4.513 50 0 GJAARN COc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C)cc1 ZINC000005848623 204154799 /nfs/dbraw/zinc/15/47/99/204154799.db2.gz SASPVRIPCIRAJA-UHFFFAOYSA-N 0 0 390.306 4.546 50 0 GJAARN 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CCOc1ccc(NC(=O)NCc2cccn2Cc2cc(C)ccc2C)cc1 ZINC000009722784 204322166 /nfs/dbraw/zinc/32/21/66/204322166.db2.gz PWBNWGVFHOGHKW-UHFFFAOYSA-N 0 0 377.488 4.874 50 0 GJAARN Cc1ccccc1-c1noc(-c2cc3cc(C(C)(C)C)cc(O)c3oc2=O)n1 ZINC000009941191 204328011 /nfs/dbraw/zinc/32/80/11/204328011.db2.gz VGSVLFWVYGWYNC-UHFFFAOYSA-N 0 0 376.412 4.822 50 0 GJAARN COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 ZINC000010156632 204332222 /nfs/dbraw/zinc/33/22/22/204332222.db2.gz YXCDIIGBMIAMQA-HNNXBMFYSA-N 0 0 377.419 4.589 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000010258802 204332523 /nfs/dbraw/zinc/33/25/23/204332523.db2.gz NRYCQFDQZCAKOL-UHFFFAOYSA-N 0 0 396.293 4.872 50 0 GJAARN COc1cc(CCC2CCN(C(=O)Nc3ccccc3OC)CC2)cc(OC)c1 ZINC000010407277 204334785 /nfs/dbraw/zinc/33/47/85/204334785.db2.gz OCBDSIUIKXNHDQ-UHFFFAOYSA-N 0 0 398.503 4.589 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(COc2ccccc2)o1 ZINC000010540484 204335923 /nfs/dbraw/zinc/33/59/23/204335923.db2.gz 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COc1ccccc1[C@H]1c2cccn2CCCN1Cc1cccc(OC)c1OC ZINC000036347719 205012615 /nfs/dbraw/zinc/01/26/15/205012615.db2.gz HGXTUUZZCJVOGO-QHCPKHFHSA-N 0 0 392.499 4.509 50 0 GJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000035319222 204986829 /nfs/dbraw/zinc/98/68/29/204986829.db2.gz DSFBMBCHCAFCRI-QGZVFWFLSA-N 0 0 398.850 4.768 50 0 GJAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NC1CCCCC1 ZINC000035515019 204992765 /nfs/dbraw/zinc/99/27/65/204992765.db2.gz JCHSEBTWBNSWCM-MRXNPFEDSA-N 0 0 375.472 4.513 50 0 GJAARN COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn32)c1 ZINC000035616557 204994354 /nfs/dbraw/zinc/99/43/54/204994354.db2.gz BMFUTZBYIQCMQG-UHFFFAOYSA-N 0 0 375.428 4.776 50 0 GJAARN CCn1nc(C)c(-c2nn3c(nnc3-c3cc(Cl)cc(Cl)c3)s2)c1C ZINC000036360832 205014601 /nfs/dbraw/zinc/01/46/01/205014601.db2.gz QLZXVVKMKGVDEE-UHFFFAOYSA-N 0 0 393.303 4.660 50 0 GJAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)cc1OC ZINC000036365328 205015117 /nfs/dbraw/zinc/01/51/17/205015117.db2.gz 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ZINC000037133331 205022001 /nfs/dbraw/zinc/02/20/01/205022001.db2.gz BPXDSDGXPOTRRW-UHFFFAOYSA-N 0 0 394.814 4.983 50 0 GJAARN CC[C@H](C(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1)c1ccccc1 ZINC000036759726 205022100 /nfs/dbraw/zinc/02/21/00/205022100.db2.gz MFDIDECVQKKJBP-SFHVURJKSA-N 0 0 392.421 4.730 50 0 GJAARN COc1cccc(Cn2c(C(=O)NCc3ccccc3F)cc3sccc32)c1 ZINC000037525707 205026786 /nfs/dbraw/zinc/02/67/86/205026786.db2.gz AMXROGBZPURBLW-UHFFFAOYSA-N 0 0 394.471 4.829 50 0 GJAARN CCCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C)cc1 ZINC000037545033 205028080 /nfs/dbraw/zinc/02/80/80/205028080.db2.gz YUQVVJOKPFFXBW-UHFFFAOYSA-N 0 0 391.334 4.962 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(Oc2cccc(C)c2)c1CCC(=O)NC1CC1 ZINC000037546998 205028636 /nfs/dbraw/zinc/02/86/36/205028636.db2.gz MEVXOSXVVBVAHB-UHFFFAOYSA-N 0 0 389.499 4.801 50 0 GJAARN Cc1cccc(NC(=O)[C@@H]2CCN(c3ccccc3Cc3ccccc3)C2=O)c1 ZINC000037573925 205029399 /nfs/dbraw/zinc/02/93/99/205029399.db2.gz HIOBVYMBDLGIQH-QFIPXVFZSA-N 0 0 384.479 4.577 50 0 GJAARN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000037580749 205029449 /nfs/dbraw/zinc/02/94/49/205029449.db2.gz DIZSEDVSABDKKJ-UHFFFAOYSA-N 0 0 376.422 4.512 50 0 GJAARN Clc1ccc(/C=C/c2nn3c(CN4CCCCC4)nnc3s2)c(Cl)c1 ZINC000039389253 205042780 /nfs/dbraw/zinc/04/27/80/205042780.db2.gz HOWWPVWACOUXKE-FNORWQNLSA-N 0 0 394.331 4.649 50 0 GJAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Br)c[nH]1 ZINC000039984241 205043983 /nfs/dbraw/zinc/04/39/83/205043983.db2.gz ACMNUJICHHYDSN-GOSISDBHSA-N 0 0 384.229 4.558 50 0 GJAARN CC(C)C[C@@H](NC(=O)CCCOc1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000040050496 205047775 /nfs/dbraw/zinc/04/77/75/205047775.db2.gz ZJVJXTKLUBANGJ-HXUWFJFHSA-N 0 0 383.467 4.765 50 0 GJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000040057817 205049001 /nfs/dbraw/zinc/04/90/01/205049001.db2.gz CKOBNUKBAZODBL-UHFFFAOYSA-N 0 0 383.442 4.511 50 0 GJAARN O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000040073419 205049969 /nfs/dbraw/zinc/04/99/69/205049969.db2.gz 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ZINC000041817503 205080490 /nfs/dbraw/zinc/08/04/90/205080490.db2.gz REGVGGMBYYFLHJ-UHFFFAOYSA-N 0 0 399.903 4.557 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837401 205086917 /nfs/dbraw/zinc/08/69/17/205086917.db2.gz UQSYZPZPYHDOMU-UHFFFAOYSA-N 0 0 376.641 4.745 50 0 GJAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000044979126 205090356 /nfs/dbraw/zinc/09/03/56/205090356.db2.gz XCSIMNWWEXAJGB-MRXNPFEDSA-N 0 0 389.858 4.510 50 0 GJAARN CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1ccccc1Cl ZINC000041089904 205077177 /nfs/dbraw/zinc/07/71/77/205077177.db2.gz KIGOZQLDHXDYDE-UHFFFAOYSA-N 0 0 399.878 4.634 50 0 GJAARN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)N1CCC[C@H]1c1ccccc1 ZINC000048097468 205112397 /nfs/dbraw/zinc/11/23/97/205112397.db2.gz MSDCXNAEHGIJGV-NRFANRHFSA-N 0 0 377.488 4.682 50 0 GJAARN CN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(F)c(F)c1 ZINC000048249247 205114111 /nfs/dbraw/zinc/11/41/11/205114111.db2.gz SIBQASBVXIAJHP-UHFFFAOYSA-N 0 0 383.320 4.666 50 0 GJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1 ZINC000048302654 205118354 /nfs/dbraw/zinc/11/83/54/205118354.db2.gz SUYPSYYBMYADJK-UHFFFAOYSA-N 0 0 386.439 4.759 50 0 GJAARN Cc1ccc([C@@H](NC(=O)COCc2nc3ccccc3s2)C(F)(F)F)cc1 ZINC000048304106 205118937 /nfs/dbraw/zinc/11/89/37/205118937.db2.gz IHIVRDDDNOHRDC-GOSISDBHSA-N 0 0 394.418 4.541 50 0 GJAARN COc1ccc(Nc2ccccc2C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000048332634 205119653 /nfs/dbraw/zinc/11/96/53/205119653.db2.gz WBNJYBDHHZGSEL-CQSZACIVSA-N 0 0 378.394 4.853 50 0 GJAARN CC(C)c1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 ZINC000048326275 205120454 /nfs/dbraw/zinc/12/04/54/205120454.db2.gz OPNPGPKXRZVCSS-UHFFFAOYSA-N 0 0 375.266 4.919 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc3c(c2)CCC3)n1 ZINC000048990371 205124081 /nfs/dbraw/zinc/12/40/81/205124081.db2.gz NRMRLAOXUZJUGF-UHFFFAOYSA-N 0 0 386.499 4.797 50 0 GJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(OC)c(O)c2)cc1 ZINC000046076314 205105276 /nfs/dbraw/zinc/10/52/76/205105276.db2.gz GRLGYCKUMMFCNN-OAHLLOKOSA-N 0 0 381.453 4.612 50 0 GJAARN Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000055370844 205147463 /nfs/dbraw/zinc/14/74/63/205147463.db2.gz ZBRIRFCNAIRJRZ-UHFFFAOYSA-N 0 0 376.460 4.655 50 0 GJAARN CCc1ccc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447613 205148465 /nfs/dbraw/zinc/14/84/65/205148465.db2.gz LYHJEACKGZESEW-DEOSSOPVSA-N 0 0 397.526 4.755 50 0 GJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412127 205156292 /nfs/dbraw/zinc/15/62/92/205156292.db2.gz FTHXLQGEYYKBNZ-UHFFFAOYSA-N 0 0 381.741 4.881 50 0 GJAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412641 205157351 /nfs/dbraw/zinc/15/73/51/205157351.db2.gz KBZOUFHGYKLWMQ-UHFFFAOYSA-N 0 0 381.741 4.881 50 0 GJAARN C[C@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000057455890 205158149 /nfs/dbraw/zinc/15/81/49/205158149.db2.gz MGFYUUMYAXDYBU-LBPRGKRZSA-N 0 0 390.965 4.910 50 0 GJAARN O=C(OCc1cc(-c2cccs2)on1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000062589288 205186292 /nfs/dbraw/zinc/18/62/92/205186292.db2.gz LGPHVPJZBSEMFT-UHFFFAOYSA-N 0 0 385.832 4.599 50 0 GJAARN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000063274269 205186383 /nfs/dbraw/zinc/18/63/83/205186383.db2.gz OWQVHNQAXLZHSI-HUUCEWRRSA-N 0 0 388.439 4.576 50 0 GJAARN C[C@H]1CCCN(C(=O)c2cc(-c3cnn(C(C)(C)C)c3)nc3ccccc32)C1 ZINC000063872150 205187243 /nfs/dbraw/zinc/18/72/43/205187243.db2.gz PWMOWMDRTQLQKD-INIZCTEOSA-N 0 0 376.504 4.725 50 0 GJAARN Cc1ccc(NC(=O)[C@H](C)n2c(=S)[nH]nc2-c2cccs2)cc1Cl ZINC000064334328 205188692 /nfs/dbraw/zinc/18/86/92/205188692.db2.gz QCTVWDVZHNYKFE-JTQLQIEISA-N 0 0 378.910 4.831 50 0 GJAARN Cc1ccc2nc(-c3cnc(C(C)(C)C)nc3)cc(C(=O)N(C)C(C)C)c2c1 ZINC000063869221 205187754 /nfs/dbraw/zinc/18/77/54/205187754.db2.gz QHTOZGDIGZGXJU-UHFFFAOYSA-N 0 0 376.504 4.778 50 0 GJAARN CCN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000057563256 205159773 /nfs/dbraw/zinc/15/97/73/205159773.db2.gz KRARIKFUPIXUTP-UHFFFAOYSA-N 0 0 375.497 4.674 50 0 GJAARN CCC[C@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 ZINC000063855843 205187951 /nfs/dbraw/zinc/18/79/51/205187951.db2.gz QPCBZINZJUNECK-INIZCTEOSA-N 0 0 376.504 4.959 50 0 GJAARN CSc1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2N2CCCC2)c1 ZINC000058007043 205162574 /nfs/dbraw/zinc/16/25/74/205162574.db2.gz UARMSVFZWLTHQZ-UHFFFAOYSA-N 0 0 395.484 4.759 50 0 GJAARN COc1ccc(Oc2ncccc2NC(=O)NCCSC2CCCC2)cc1 ZINC000058105614 205164369 /nfs/dbraw/zinc/16/43/69/205164369.db2.gz SJDFHQHZWJDLFD-UHFFFAOYSA-N 0 0 387.505 4.680 50 0 GJAARN CCOc1ccc(NC(=S)N2CCCN(Cc3cccc(Cl)c3)C2)cc1 ZINC000058096580 205165009 /nfs/dbraw/zinc/16/50/09/205165009.db2.gz KDFVZDOGCZOZRT-UHFFFAOYSA-N 0 0 389.952 4.601 50 0 GJAARN C[C@H](NCc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000058160538 205165199 /nfs/dbraw/zinc/16/51/99/205165199.db2.gz ICKLUSBKSYFWTG-VIFPVBQESA-N 0 0 375.658 4.903 50 0 GJAARN CSc1nc(C(=O)OCC(=O)c2sc3ccccc3c2C)c2ccccn21 ZINC000058320961 205171410 /nfs/dbraw/zinc/17/14/10/205171410.db2.gz MOPMRXZYEQVKEO-UHFFFAOYSA-N 0 0 396.493 4.619 50 0 GJAARN Cc1cc(C)n2cc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)o3)nc2n1 ZINC000058357872 205173382 /nfs/dbraw/zinc/17/33/82/205173382.db2.gz VXRGJRXTCSKPSH-UHFFFAOYSA-N 0 0 393.516 4.986 50 0 GJAARN COc1ccccc1N1CC[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000058407594 205174617 /nfs/dbraw/zinc/17/46/17/205174617.db2.gz DFDRMHFZEGHEDI-GFCCVEGCSA-N 0 0 385.817 4.701 50 0 GJAARN Cc1ccc([C@@H](O)CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 ZINC000058415566 205174944 /nfs/dbraw/zinc/17/49/44/205174944.db2.gz ZCHOCFYKUUWNAR-INIZCTEOSA-N 0 0 394.521 4.797 50 0 GJAARN O=C(COc1ccc2ccccc2c1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000058412291 205175077 /nfs/dbraw/zinc/17/50/77/205175077.db2.gz UGEOFHLYXRKQNE-UHFFFAOYSA-N 0 0 382.410 4.736 50 0 GJAARN Cc1ccc2nc(-c3cnn(C(C)C)c3)c(C)c(C(=O)N3CCCCC3)c2c1 ZINC000063883031 205188624 /nfs/dbraw/zinc/18/86/24/205188624.db2.gz AXQOXUNGWGYDGW-UHFFFAOYSA-N 0 0 376.504 4.922 50 0 GJAARN FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@](F)(Cl)Br ZINC000063148546 205185468 /nfs/dbraw/zinc/18/54/68/205185468.db2.gz CNQPZAGOLNLMLO-BIZFKFMOSA-N 0 0 392.746 4.771 50 0 GJAARN CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(F)(F)F ZINC000062264583 205185476 /nfs/dbraw/zinc/18/54/76/205185476.db2.gz XFANBTQXCWFWOE-UHFFFAOYSA-N 0 0 386.292 4.943 50 0 GJAARN Cc1nc2cc(-c3noc(Cc4cccs4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890519 205199629 /nfs/dbraw/zinc/19/96/29/205199629.db2.gz VCOPJYVAQBYGQM-UHFFFAOYSA-N 0 0 392.484 4.522 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1 ZINC000064956008 205202658 /nfs/dbraw/zinc/20/26/58/205202658.db2.gz APKSAKVPYXTHPZ-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN Cc1cccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 ZINC000064969121 205203431 /nfs/dbraw/zinc/20/34/31/205203431.db2.gz PQSODUJOWSSMQL-UHFFFAOYSA-N 0 0 385.467 4.520 50 0 GJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1 ZINC000064980061 205204091 /nfs/dbraw/zinc/20/40/91/205204091.db2.gz AZPARZCSFQQAAD-UHFFFAOYSA-N 0 0 375.432 4.662 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989550 205204290 /nfs/dbraw/zinc/20/42/90/205204290.db2.gz PRSYQBHELFGZKB-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN CCC(CC)C(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000064989667 205204413 /nfs/dbraw/zinc/20/44/13/205204413.db2.gz RKMKUEACAVBFIA-UHFFFAOYSA-N 0 0 384.907 4.595 50 0 GJAARN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccccc2Br)on1 ZINC000064985080 205204495 /nfs/dbraw/zinc/20/44/95/205204495.db2.gz XHQRFWMRKRXHDT-OAHLLOKOSA-N 0 0 378.270 4.930 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989150 205204686 /nfs/dbraw/zinc/20/46/86/205204686.db2.gz LOUCCZMYRDYNCB-UHFFFAOYSA-N 0 0 396.853 4.789 50 0 GJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)c1 ZINC000065058679 205208232 /nfs/dbraw/zinc/20/82/32/205208232.db2.gz GLYPDYSIJJPBIL-DEOSSOPVSA-N 0 0 393.531 4.562 50 0 GJAARN COc1ccc(-c2nc(-c3ccc(C(=O)NC4CCCCC4)s3)no2)cc1 ZINC000065062889 205210064 /nfs/dbraw/zinc/21/00/64/205210064.db2.gz DQZBYKCMOJLEJY-UHFFFAOYSA-N 0 0 383.473 4.536 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NC3CCCCCC3)C2)cc1 ZINC000065136209 205211392 /nfs/dbraw/zinc/21/13/92/205211392.db2.gz ROZQEOTYXRUMPT-IBGZPJMESA-N 0 0 385.552 4.858 50 0 GJAARN Cc1ccccc1Cn1cc(-c2nc(-c3cccc(Cl)c3)no2)ccc1=O ZINC000065134436 205211879 /nfs/dbraw/zinc/21/18/79/205211879.db2.gz PHITUAYEEIQNIQ-UHFFFAOYSA-N 0 0 377.831 4.575 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)c1 ZINC000065135423 205211896 /nfs/dbraw/zinc/21/18/96/205211896.db2.gz MXUOLWGMPZZEMF-IBGZPJMESA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NC3CCCCCC3)C2)cc1 ZINC000065136207 205211929 /nfs/dbraw/zinc/21/19/29/205211929.db2.gz ROZQEOTYXRUMPT-LJQANCHMSA-N 0 0 385.552 4.858 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135685 205212307 /nfs/dbraw/zinc/21/23/07/205212307.db2.gz SCRYYOYMVUXOED-SFHVURJKSA-N 0 0 375.447 4.611 50 0 GJAARN CCSc1ccc(-c2cccc(NC(=O)Nc3ccc(OC)cc3)c2)nn1 ZINC000065185946 205217290 /nfs/dbraw/zinc/21/72/90/205217290.db2.gz FEGOSPKNLODJTC-UHFFFAOYSA-N 0 0 380.473 4.908 50 0 GJAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)c1 ZINC000065135375 205212366 /nfs/dbraw/zinc/21/23/66/205212366.db2.gz LMBNCMMDTBKQBM-QGZVFWFLSA-N 0 0 393.437 4.750 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccc4C)n3)C2)cc1 ZINC000065148232 205213299 /nfs/dbraw/zinc/21/32/99/205213299.db2.gz XKLVLGIQWGWNQP-FQEVSTJZSA-N 0 0 386.499 4.857 50 0 GJAARN C[C@@H](NC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000065136661 205213649 /nfs/dbraw/zinc/21/36/49/205213649.db2.gz QNMXMTJWXFSEBX-QZTJIDSGSA-N 0 0 397.494 4.727 50 0 GJAARN Cc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)c(C)c1 ZINC000065165146 205214444 /nfs/dbraw/zinc/21/44/44/205214444.db2.gz YOQLXTATOJHCGN-UHFFFAOYSA-N 0 0 378.501 4.674 50 0 GJAARN COc1cc(NC(=O)c2sc(Nc3cccc(C)c3)nc2C)cc(OC)c1 ZINC000065184613 205216281 /nfs/dbraw/zinc/21/62/81/205216281.db2.gz ZBRDZARCKZWKOB-UHFFFAOYSA-N 0 0 383.473 4.773 50 0 GJAARN CN(C)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471618 205189890 /nfs/dbraw/zinc/18/98/90/205189890.db2.gz NOBJMGAUMLNVHD-UHFFFAOYSA-N 0 0 392.478 4.810 50 0 GJAARN COc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(F)c(F)c3)c2c1 ZINC000064474001 205190887 /nfs/dbraw/zinc/19/08/87/205190887.db2.gz BSJYBIDADSWYAY-UHFFFAOYSA-N 0 0 397.425 4.891 50 0 GJAARN CCC(C)(C)NC(=O)c1cccc(-c2cc(Oc3ccc(OC)cc3)ncn2)c1 ZINC000064578376 205191235 /nfs/dbraw/zinc/19/12/35/205191235.db2.gz HTHVNCBUNBREOW-UHFFFAOYSA-N 0 0 391.471 4.863 50 0 GJAARN COc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)cs1 ZINC000064677187 205193146 /nfs/dbraw/zinc/19/31/46/205193146.db2.gz WTRJUYLZWQPSBT-UHFFFAOYSA-N 0 0 389.480 4.926 50 0 GJAARN O=C(C1CCCC1)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747126 205193887 /nfs/dbraw/zinc/19/38/87/205193887.db2.gz JEUSFFZAGROCEV-HNNXBMFYSA-N 0 0 379.382 4.609 50 0 GJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(N2CCCC2)n1 ZINC000064801435 205195814 /nfs/dbraw/zinc/19/58/14/205195814.db2.gz JKRNSHOMPSHIGR-UHFFFAOYSA-N 0 0 388.475 4.773 50 0 GJAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4cc(C)cc(C)c4)CC3)n2)cc1 ZINC000064818224 205196557 /nfs/dbraw/zinc/19/65/57/205196557.db2.gz BAAFOVUMEMNRSR-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1csc(-c2ncccn2)n1 ZINC000064830029 205197146 /nfs/dbraw/zinc/19/71/46/205197146.db2.gz WXFNWCQSXGLAAW-MHZLTWQESA-N 0 0 399.585 4.963 50 0 GJAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)cc1F ZINC000064840120 205198558 /nfs/dbraw/zinc/19/85/58/205198558.db2.gz SFZZQUIJMMOOBS-UHFFFAOYSA-N 0 0 388.830 4.544 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3cccc(F)c3)cs2)c2cccnc21 ZINC000065240993 205221819 /nfs/dbraw/zinc/22/18/19/205221819.db2.gz SGNFSYLTKPMGJB-UHFFFAOYSA-N 0 0 380.448 4.500 50 0 GJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1 ZINC000067299260 205245148 /nfs/dbraw/zinc/24/51/48/205245148.db2.gz FFFWQXBLESMRGH-FLFQWRMESA-N 0 0 394.814 4.547 50 0 GJAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)Nc1ccc(C)c(F)c1 ZINC000065297759 205227912 /nfs/dbraw/zinc/22/79/12/205227912.db2.gz OIFKPSWDTOZDDK-UHFFFAOYSA-N 0 0 399.491 4.971 50 0 GJAARN Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000065320523 205230153 /nfs/dbraw/zinc/23/01/53/205230153.db2.gz RKZYJTLJHUOTJS-SFHVURJKSA-N 0 0 381.863 4.605 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000065320495 205230889 /nfs/dbraw/zinc/23/08/89/205230889.db2.gz IYMFDGMACCNIIY-KBXCAEBGSA-N 0 0 397.862 4.521 50 0 GJAARN Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2CCCN2CCCC2=O)c1 ZINC000065370116 205231978 /nfs/dbraw/zinc/23/19/78/205231978.db2.gz FXGMTCGGVRLBOW-UHFFFAOYSA-N 0 0 377.463 4.677 50 0 GJAARN CN(C)c1nc2sc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2s1 ZINC000065552310 205237704 /nfs/dbraw/zinc/23/77/04/205237704.db2.gz UGCUROVRWAZHLH-UHFFFAOYSA-N 0 0 387.317 4.565 50 0 GJAARN COC(=O)Nc1ccc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 ZINC000065585095 205237867 /nfs/dbraw/zinc/23/78/67/205237867.db2.gz VZNVMIMGBAPAKO-HNNXBMFYSA-N 0 0 391.427 4.652 50 0 GJAARN Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000065541418 205237914 /nfs/dbraw/zinc/23/79/14/205237914.db2.gz AASCNKIAPSVFIF-GOSISDBHSA-N 0 0 398.484 4.610 50 0 GJAARN O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000065817930 205240002 /nfs/dbraw/zinc/24/00/02/205240002.db2.gz NZXBPAXCYHTEJH-DOTOQJQBSA-N 0 0 379.426 4.638 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccn1 ZINC000067259366 205243826 /nfs/dbraw/zinc/24/38/26/205243826.db2.gz SCOBZQGELXSPOE-UHFFFAOYSA-N 0 0 393.899 4.786 50 0 GJAARN O=C(c1cnc2ccc(F)cc2c1NCCc1ccc(Cl)cc1)N1CCCC1 ZINC000067288282 205244045 /nfs/dbraw/zinc/24/40/45/205244045.db2.gz MDMLGFGMHLOAPQ-UHFFFAOYSA-N 0 0 397.881 4.918 50 0 GJAARN CCSc1ccc(-c2cccc(NC(=O)c3cccnc3SC)c2)nn1 ZINC000065185884 205217675 /nfs/dbraw/zinc/21/76/75/205217675.db2.gz ZZKIBEFYVRCYGC-UHFFFAOYSA-N 0 0 382.514 4.625 50 0 GJAARN Fc1ccc(-c2n[nH]cc2Cn2cnc(-c3ccccc3)c2[C@H]2CCOC2)cc1 ZINC000067756321 205258963 /nfs/dbraw/zinc/25/89/63/205258963.db2.gz MDWIICAYOYRCQP-SFHVURJKSA-N 0 0 388.446 4.632 50 0 GJAARN Cc1ccoc1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067802943 205259835 /nfs/dbraw/zinc/25/98/35/205259835.db2.gz QYIXYKQDYRFOTO-UHFFFAOYSA-N 0 0 383.831 4.649 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N1CCC(CSCc2ccco2)CC1 ZINC000090608384 205274657 /nfs/dbraw/zinc/27/46/57/205274657.db2.gz UGLPHAYFUKHZKX-UHFFFAOYSA-N 0 0 382.485 4.720 50 0 GJAARN COc1ccc2[nH]c(Cn3cnc(-c4ccccc4)c3-c3ccc(CO)o3)cc2c1 ZINC000067907840 205266016 /nfs/dbraw/zinc/26/60/16/205266016.db2.gz PXZDYINHSGJKKU-UHFFFAOYSA-N 0 0 399.450 4.841 50 0 GJAARN COc1ccc(CCC(=O)NCc2sc(-c3ccccc3F)nc2C)cc1 ZINC000090592911 205274105 /nfs/dbraw/zinc/27/41/05/205274105.db2.gz XAYPFNQAYJGSLF-UHFFFAOYSA-N 0 0 384.476 4.515 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 ZINC000067339615 205247037 /nfs/dbraw/zinc/24/70/37/205247037.db2.gz NCDZHSGLORXIDP-PKNBQFBNSA-N 0 0 379.412 4.660 50 0 GJAARN COCCn1ccc2c1cccc2NC(=O)c1cc(C(C)C)nc2onc(C)c21 ZINC000071288107 205280924 /nfs/dbraw/zinc/28/09/24/205280924.db2.gz JHLKZZXXEWAXTJ-UHFFFAOYSA-N 0 0 392.459 4.508 50 0 GJAARN COc1cccc(CNC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)c1 ZINC000071326603 205282161 /nfs/dbraw/zinc/28/21/61/205282161.db2.gz STZOCXKGSQPLOX-UHFFFAOYSA-N 0 0 381.501 4.751 50 0 GJAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000071575473 205284792 /nfs/dbraw/zinc/28/47/92/205284792.db2.gz RRTSDXBIKARFRL-GOSISDBHSA-N 0 0 389.499 4.576 50 0 GJAARN COCC1(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)CCC1 ZINC000071771112 205296565 /nfs/dbraw/zinc/29/65/65/205296565.db2.gz BTOKGUMFAJFFGB-INIZCTEOSA-N 0 0 383.454 4.693 50 0 GJAARN CCOC(=O)c1sc2ncnc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c2c1C ZINC000071795514 205298021 /nfs/dbraw/zinc/29/80/21/205298021.db2.gz KWLWEDYYNDSHCL-QWRGUYRKSA-N 0 0 387.427 4.709 50 0 GJAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000071844189 205298425 /nfs/dbraw/zinc/29/84/25/205298425.db2.gz YECOARUIDYTSBF-ROUUACIJSA-N 0 0 395.528 4.916 50 0 GJAARN C[C@H]1Cc2ccccc2N1C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000071912503 205299757 /nfs/dbraw/zinc/29/97/57/205299757.db2.gz UJNSFDIOLVDSLK-HNNXBMFYSA-N 0 0 377.419 4.674 50 0 GJAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)NCc1ccc(Cl)cc1 ZINC000090610611 205275368 /nfs/dbraw/zinc/27/53/68/205275368.db2.gz WHKNGBPEMOSOOI-UHFFFAOYSA-N 0 0 390.917 4.693 50 0 GJAARN O=C(c1ccccc1Br)N1CCC(CSCc2ccco2)CC1 ZINC000090608351 205275382 /nfs/dbraw/zinc/27/53/82/205275382.db2.gz RNWMYFQBUUBMIX-UHFFFAOYSA-N 0 0 394.334 4.828 50 0 GJAARN COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Nc4c3cnn4C(C)C)o2)cc1 ZINC000071283590 205279136 /nfs/dbraw/zinc/27/91/36/205279136.db2.gz GJUHEDVKZWLXJA-HNNXBMFYSA-N 0 0 379.416 4.634 50 0 GJAARN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000072310606 205322851 /nfs/dbraw/zinc/32/28/51/205322851.db2.gz WOSHGJDZGIGEAO-BBRMVZONSA-N 0 0 393.325 4.869 50 0 GJAARN Fc1ccc(CN2CCC[C@]3(CCN(c4nc5ccccc5o4)C3)C2)cc1F ZINC000072154599 205312963 /nfs/dbraw/zinc/31/29/63/205312963.db2.gz KBGGKVSOFNCXGG-QFIPXVFZSA-N 0 0 383.442 4.599 50 0 GJAARN Cc1ccc(NC(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc1F ZINC000077197434 205357556 /nfs/dbraw/zinc/35/75/56/205357556.db2.gz FCVSNVPTDYQSLZ-UHFFFAOYSA-N 0 0 395.438 4.560 50 0 GJAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000072401741 205344358 /nfs/dbraw/zinc/34/43/58/205344358.db2.gz CNYOQOUKXWQYIR-UHFFFAOYSA-N 0 0 396.903 4.575 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 ZINC000072400340 205344551 /nfs/dbraw/zinc/34/45/51/205344551.db2.gz HEXKIWIYMPTMJN-QAPCUYQASA-N 0 0 397.544 4.823 50 0 GJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)ccc1O ZINC000072404920 205344851 /nfs/dbraw/zinc/34/48/51/205344851.db2.gz LQXMBFXLJSXSKX-FQEVSTJZSA-N 0 0 379.485 4.840 50 0 GJAARN COc1ccc(-c2nc(C)sc2C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 ZINC000072405352 205345757 /nfs/dbraw/zinc/34/57/57/205345757.db2.gz FIYSEVDYTLFEIN-UHFFFAOYSA-N 0 0 384.505 4.774 50 0 GJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCc2n[nH]cc2C1 ZINC000072408776 205347148 /nfs/dbraw/zinc/34/71/48/205347148.db2.gz ITPXGHWMOWJKHN-UHFFFAOYSA-N 0 0 386.455 4.724 50 0 GJAARN Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4F)o3)CCCCCC2)no1 ZINC000084280740 205393714 /nfs/dbraw/zinc/39/37/14/205393714.db2.gz LEXPMGHVJOBENW-UHFFFAOYSA-N 0 0 383.423 4.757 50 0 GJAARN CCN(C(=O)[C@H](C)[S@@](=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000078556047 205376116 /nfs/dbraw/zinc/37/61/16/205376116.db2.gz YLYSVNUUJOKYJF-RKNYENMMSA-N 0 0 384.328 4.684 50 0 GJAARN O=C(c1cccc(NCc2nnc(-c3ccccc3)o2)c1)N1CCc2ccccc21 ZINC000079068385 205380688 /nfs/dbraw/zinc/38/06/88/205380688.db2.gz XYNXUVHYAXTOSQ-UHFFFAOYSA-N 0 0 396.450 4.552 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)ccn2)C12CCCC2 ZINC000079484116 205383910 /nfs/dbraw/zinc/38/39/10/205383910.db2.gz HEIYTSXNVQYONC-LAUBAEHRSA-N 0 0 391.515 4.679 50 0 GJAARN CC(C)n1cc(CCCC(=O)NCc2nc3ccccc3n2C)c2ccccc21 ZINC000079490419 205384081 /nfs/dbraw/zinc/38/40/81/205384081.db2.gz SZRVFSRTFBGQMQ-UHFFFAOYSA-N 0 0 388.515 4.748 50 0 GJAARN O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(Oc2ccccc2)CC1 ZINC000084553553 205395567 /nfs/dbraw/zinc/39/55/67/205395567.db2.gz OWUTVBCRAAFADW-OALUTQOASA-N 0 0 389.417 4.879 50 0 GJAARN Cc1ccc2cc(C(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)c(C)nc2c1 ZINC000089665899 205407952 /nfs/dbraw/zinc/40/79/52/205407952.db2.gz HDOKDJYPWATNLE-FXAWDEMLSA-N 0 0 380.513 4.641 50 0 GJAARN Cc1ccc(-c2cc(C(=O)NCC[C@@H](c3ccco3)c3ccc(F)cc3)[nH]n2)o1 ZINC000091643350 205418870 /nfs/dbraw/zinc/41/88/70/205418870.db2.gz LWWPRNYOGHKZMU-QGZVFWFLSA-N 0 0 393.418 4.662 50 0 GJAARN CCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OCc1cccnc1 ZINC000024442458 211794011 /nfs/dbraw/zinc/79/40/11/211794011.db2.gz NUMUYJBNTCGICQ-KRWDZBQOSA-N 0 0 388.467 4.651 50 0 GJAARN C[C@@H](Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21)C(C)(C)O ZINC000058162248 211779238 /nfs/dbraw/zinc/77/92/38/211779238.db2.gz AYICTJHQZIQKPO-CQSZACIVSA-N 0 0 390.512 4.992 50 0 GJAARN C[C@@H](OC(=O)/C=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000096499314 205567992 /nfs/dbraw/zinc/56/79/92/205567992.db2.gz SMPJPDAOUTWUCD-MQGYJPLLSA-N 0 0 395.789 4.525 50 0 GJAARN COc1cc(/C=C\C(=O)N2CCc3sccc3[C@H]2C)ccc1OC(F)F ZINC000096920673 205576563 /nfs/dbraw/zinc/57/65/63/205576563.db2.gz SZBIOSFGWQRUAW-TXNVCOODSA-N 0 0 379.428 4.517 50 0 GJAARN CC(C)c1cccc(N(C)C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)c1 ZINC000097547411 205592537 /nfs/dbraw/zinc/59/25/37/205592537.db2.gz BIAINUDSWPYXGY-UHFFFAOYSA-N 0 0 380.469 4.939 50 0 GJAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCc1ccccc1 ZINC000096386164 205564487 /nfs/dbraw/zinc/56/44/87/205564487.db2.gz ZSTQNGLQSGNHSB-UHFFFAOYSA-N 0 0 381.479 4.837 50 0 GJAARN CCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1 ZINC000096386776 205565414 /nfs/dbraw/zinc/56/54/14/205565414.db2.gz YVBXIKDBMXZVHQ-UHFFFAOYSA-N 0 0 389.499 4.668 50 0 GJAARN CCOC(=O)c1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 ZINC000098086985 205602663 /nfs/dbraw/zinc/60/26/63/205602663.db2.gz YDWGCQHJFNUGAB-UHFFFAOYSA-N 0 0 389.451 4.737 50 0 GJAARN CC(=O)C(Sc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn21)=C(C)O ZINC000101158416 205617680 /nfs/dbraw/zinc/61/76/80/205617680.db2.gz RDFFCXUMAFQSAZ-UHFFFAOYSA-N 0 0 395.528 4.641 50 0 GJAARN O=C(Nc1oc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000101192143 205618388 /nfs/dbraw/zinc/61/83/88/205618388.db2.gz BHMDPCUVMOTFPZ-UHFFFAOYSA-N 0 0 391.423 4.708 50 0 biogenic GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(O)cc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101996689 205628858 /nfs/dbraw/zinc/62/88/58/205628858.db2.gz CYSQSVAGOLJPOX-NVPYSNMXSA-N 0 0 395.458 4.635 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946391 205629008 /nfs/dbraw/zinc/62/90/08/205629008.db2.gz DPPYFMLPIDTIAN-QGZVFWFLSA-N 0 0 395.890 4.815 50 0 GJAARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](c3cccs3)CC1=N2 ZINC000102713536 205633910 /nfs/dbraw/zinc/63/39/10/205633910.db2.gz QBBKSTSZUCMONY-WLRWDXFRSA-N 0 0 398.438 4.991 50 0 GJAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(C)cc2)cc1 ZINC000044086535 205661844 /nfs/dbraw/zinc/66/18/44/205661844.db2.gz DQDXMJRZBXETKQ-UHFFFAOYSA-N 0 0 379.529 4.773 50 0 GJAARN Cc1ccc(Sc2ccc(NC(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)cc2)cc1C ZINC000048288170 205665886 /nfs/dbraw/zinc/66/58/86/205665886.db2.gz NDTMPTKFDSYKKL-NHCUHLMSSA-N 0 0 377.513 4.930 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)Nc2ccccc2-n2nc(C)cc2C)cc1F ZINC000048345429 205666853 /nfs/dbraw/zinc/66/68/53/205666853.db2.gz KFQBFJUJZNOCIM-OAHLLOKOSA-N 0 0 382.439 4.520 50 0 GJAARN Cc1sc2nc(C)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1C ZINC000001340326 205708158 /nfs/dbraw/zinc/70/81/58/205708158.db2.gz VAOUJWOMKMRDCE-LLVKDONJSA-N 0 0 383.542 4.686 50 0 GJAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3cccs3)C[C@@H]21 ZINC000001322151 205709126 /nfs/dbraw/zinc/70/91/26/205709126.db2.gz GEGZPNAYWBGVQD-HRAATJIYSA-N 0 0 384.501 4.586 50 0 biogenic GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Br)c(F)c1 ZINC000121412608 205684005 /nfs/dbraw/zinc/68/40/05/205684005.db2.gz XZKCFFFFCFXBOG-UHFFFAOYSA-N 0 0 388.240 4.643 50 0 GJAARN O=C(Nc1cc(-c2ccccc2)ns1)c1cccnc1Nc1cccc(F)c1 ZINC000125004507 205686137 /nfs/dbraw/zinc/68/61/37/205686137.db2.gz UNQIWRHEDGTUBR-UHFFFAOYSA-N 0 0 390.443 4.762 50 0 GJAARN COc1ccc([C@@H](NC(=O)C(C)C)c2c(OC(C)=O)ccc3ccccc32)cc1 ZINC000000855824 205696994 /nfs/dbraw/zinc/69/69/94/205696994.db2.gz DTBUQHMWBIFJMN-HSZRJFAPSA-N 0 0 391.467 4.635 50 0 GJAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1C ZINC000000858846 205697431 /nfs/dbraw/zinc/69/74/31/205697431.db2.gz OFBNSGXYEYUMMB-UHFFFAOYSA-N 0 0 382.467 4.868 50 0 GJAARN COc1cccc(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)c1 ZINC000004276057 205743679 /nfs/dbraw/zinc/74/36/79/205743679.db2.gz WVFBDQCQQSHCBV-UHFFFAOYSA-N 0 0 387.395 4.790 50 0 GJAARN Cc1cc(C)cc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1 ZINC000004585490 205750271 /nfs/dbraw/zinc/75/02/71/205750271.db2.gz QGMIQYMJSMMNIY-UHFFFAOYSA-N 0 0 383.451 4.563 50 0 GJAARN O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000021487224 211742967 /nfs/dbraw/zinc/74/29/67/211742967.db2.gz HSKDHXQMROJTBD-HNNXBMFYSA-N 0 0 392.113 4.556 50 0 GJAARN COc1cc(/C=C/C(=O)N(C)Cc2ccc(SC)cc2)ccc1OC(F)F ZINC000006085432 205772604 /nfs/dbraw/zinc/77/26/04/205772604.db2.gz XCVVTYNFLMKUSV-YRNVUSSQSA-N 0 0 393.455 4.690 50 0 GJAARN O=C(Nc1cc(F)ccc1OC(F)F)c1cnn(-c2cccc(Cl)c2)c1 ZINC000159132632 205803637 /nfs/dbraw/zinc/80/36/37/205803637.db2.gz NISVYVXLXMEPRB-UHFFFAOYSA-N 0 0 381.741 4.519 50 0 GJAARN COc1cc(C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1 ZINC000008112920 205790926 /nfs/dbraw/zinc/79/09/26/205790926.db2.gz IPPOAAVQTZMXCJ-UHFFFAOYSA-N 0 0 377.440 4.844 50 0 GJAARN COc1ccc(-n2ccc(C(=O)N(c3ccc(C)cn3)C3CCCCC3)n2)cc1 ZINC000108202360 205823246 /nfs/dbraw/zinc/82/32/46/205823246.db2.gz LXHSCLXFLYJBIB-UHFFFAOYSA-N 0 0 390.487 4.564 50 0 GJAARN CC(C)=Cc1ccc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 ZINC000215709379 211740266 /nfs/dbraw/zinc/74/02/66/211740266.db2.gz CQOMUYBKTFVPMG-UHFFFAOYSA-N 0 0 392.406 4.968 50 0 GJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1C ZINC000013009888 205884353 /nfs/dbraw/zinc/88/43/53/205884353.db2.gz HZSHCNHXZVJJPW-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cccc(O)c3)C[C@@H]21 ZINC000013036468 205885055 /nfs/dbraw/zinc/88/50/55/205885055.db2.gz UXOLMIYVGFZAIQ-LAUBAEHRSA-N 0 0 378.453 4.705 50 0 GJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000011139671 205863536 /nfs/dbraw/zinc/86/35/36/205863536.db2.gz TZAJBAYPVDAXMC-UHFFFAOYSA-N 0 0 396.796 4.667 50 0 GJAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1F)c1nc2ccccc2[nH]1 ZINC000015610946 205900434 /nfs/dbraw/zinc/90/04/34/205900434.db2.gz QQMBDTQSRCRIRS-INIZCTEOSA-N 0 0 390.256 4.592 50 0 GJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCCC2)c1 ZINC000021897468 205938080 /nfs/dbraw/zinc/93/80/80/205938080.db2.gz XOKDTAHIFGBLGW-UHFFFAOYSA-N 0 0 375.472 4.564 50 0 GJAARN O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000022766089 205964724 /nfs/dbraw/zinc/96/47/24/205964724.db2.gz YZBHQADPQLNXKY-OAQYLSRUSA-N 0 0 398.478 4.556 50 0 GJAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000027824437 206018335 /nfs/dbraw/zinc/01/83/35/206018335.db2.gz YSNIWDWXGBYDJA-GASCZTMLSA-N 0 0 387.973 4.884 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 ZINC000028236404 206039378 /nfs/dbraw/zinc/03/93/78/206039378.db2.gz SMQLULVBWVGKNO-UHFFFAOYSA-N 0 0 385.803 4.801 50 0 GJAARN COc1ccc(Cl)cc1-c1cc(NC(=O)c2cccc(F)c2Cl)n[nH]1 ZINC000225429245 206047491 /nfs/dbraw/zinc/04/74/91/206047491.db2.gz BSQKXKFVMQZBKY-UHFFFAOYSA-N 0 0 380.206 4.784 50 0 GJAARN NC(=O)c1ccc(NCc2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000225498024 206053404 /nfs/dbraw/zinc/05/34/04/206053404.db2.gz FQZLVMJLHOYHGJ-UHFFFAOYSA-N 0 0 384.838 4.769 50 0 GJAARN O=S(=O)(c1cccc2ccccc21)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208045046 211702351 /nfs/dbraw/zinc/70/23/51/211702351.db2.gz MKDUZWFFWPSTFV-HXUWFJFHSA-N 0 0 383.538 4.709 50 0 GJAARN O=C(c1ccco1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180953 206071456 /nfs/dbraw/zinc/07/14/56/206071456.db2.gz SWGFQOVJJXUSBW-UHFFFAOYSA-N 0 0 386.904 4.620 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000029241351 206056910 /nfs/dbraw/zinc/05/69/10/206056910.db2.gz XRHFYXUDPWGVLK-UHFFFAOYSA-N 0 0 378.482 4.889 50 0 GJAARN O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)C(c1ccccc1)c1ccccc1 ZINC000225571565 206057391 /nfs/dbraw/zinc/05/73/91/206057391.db2.gz SHPQHIGMWUPIGZ-UHFFFAOYSA-N 0 0 396.372 4.519 50 0 GJAARN Cc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)n2C)cc1 ZINC000029292255 206058229 /nfs/dbraw/zinc/05/82/29/206058229.db2.gz WOVGHXZWIZFDEX-UHFFFAOYSA-N 0 0 397.891 4.786 50 0 GJAARN O=C(NCc1ccnc(-c2ccco2)c1)C1c2ccccc2Oc2ccccc21 ZINC000225655322 206064562 /nfs/dbraw/zinc/06/45/62/206064562.db2.gz DBDUYYWMZVHDIA-UHFFFAOYSA-N 0 0 382.419 4.896 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1csc2ccccc21 ZINC000225693752 206067850 /nfs/dbraw/zinc/06/78/50/206067850.db2.gz SOLHSEYFYJXWDG-QGZVFWFLSA-N 0 0 389.904 4.562 50 0 GJAARN Cc1cc(CSc2nc3ccccc3c(=O)n2-c2cc(C)ccc2C)on1 ZINC000032393009 206089200 /nfs/dbraw/zinc/08/92/00/206089200.db2.gz LTHFVKGZWJGMOP-UHFFFAOYSA-N 0 0 377.469 4.591 50 0 GJAARN CCc1ccc([C@H](NCC(=O)N[C@@H](C)c2ccccc2)c2cccs2)cc1 ZINC000029939441 206073155 /nfs/dbraw/zinc/07/31/55/206073155.db2.gz LKICQLZRSSVPIC-SBUREZEXSA-N 0 0 378.541 4.867 50 0 GJAARN O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccnc1-c1cccs1 ZINC000225761628 206073723 /nfs/dbraw/zinc/07/37/23/206073723.db2.gz TYBVTDBLAKXYPK-UHFFFAOYSA-N 0 0 376.403 4.688 50 0 GJAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccnc2-c2cccs2)c1C ZINC000225762735 206074475 /nfs/dbraw/zinc/07/44/75/206074475.db2.gz RLVPAWBRHZVHQS-UHFFFAOYSA-N 0 0 386.542 4.522 50 0 GJAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000032721700 206090469 /nfs/dbraw/zinc/09/04/69/206090469.db2.gz DHWCXKZEZPIKEL-UHFFFAOYSA-N 0 0 381.435 4.570 50 0 GJAARN c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cs1 ZINC000013036189 211697624 /nfs/dbraw/zinc/69/76/24/211697624.db2.gz IDJMWUPOOHOZJT-DYESRHJHSA-N 0 0 376.437 4.719 50 0 GJAARN CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 ZINC000013695290 211700812 /nfs/dbraw/zinc/70/08/12/211700812.db2.gz PKZZTQPORFFXSP-UHFFFAOYSA-N 0 0 390.405 4.893 50 0 GJAARN CCc1nc(-c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cs1 ZINC000030448254 206077703 /nfs/dbraw/zinc/07/77/03/206077703.db2.gz MKZSRLXQPTZLPR-UHFFFAOYSA-N 0 0 392.528 4.578 50 0 GJAARN Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)NC(=O)c2cccs2)cc1 ZINC000031296948 206086595 /nfs/dbraw/zinc/08/65/95/206086595.db2.gz MHYPXXKOEDKBEX-HNNXBMFYSA-N 0 0 380.469 4.606 50 0 GJAARN COc1ccc([C@@]2(CCN(Cc3ccco3)C(C)=O)CCOC(C)(C)C2)cc1 ZINC000032124172 206088248 /nfs/dbraw/zinc/08/82/48/206088248.db2.gz ZCAXDZYYPZXIJY-QHCPKHFHSA-N 0 0 385.504 4.554 50 0 biogenic GJAARN CC(=O)Nc1cccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 ZINC000032360364 206088401 /nfs/dbraw/zinc/08/84/01/206088401.db2.gz RANBGIBAZDFZFI-QFIPXVFZSA-N 0 0 390.508 4.795 50 0 GJAARN CSc1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 ZINC000033331624 206098089 /nfs/dbraw/zinc/09/80/89/206098089.db2.gz SFBINIUISMIRCF-UHFFFAOYSA-N 0 0 383.473 4.599 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@@H](/C=C\c1ccco1)Nc1ccccc1-2 ZINC000034201471 206099471 /nfs/dbraw/zinc/09/94/71/206099471.db2.gz LEJNBVCHXBEIKE-MQNTZWLQSA-N 0 0 380.473 4.868 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)c3c(C)noc3C(C)C)s2)cs1 ZINC000032837335 206092544 /nfs/dbraw/zinc/09/25/44/206092544.db2.gz ZAWOMGBCNHTGQW-UHFFFAOYSA-N 0 0 375.519 4.572 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000032808957 206092763 /nfs/dbraw/zinc/09/27/63/206092763.db2.gz WMBHZDWEXRFXHJ-OAHLLOKOSA-N 0 0 394.471 4.760 50 0 GJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1OCCOc1ccccc1 ZINC000032958340 206094015 /nfs/dbraw/zinc/09/40/15/206094015.db2.gz XRNJRXCYSPAXMU-HSZRJFAPSA-N 0 0 387.479 4.952 50 0 GJAARN CNc1snc(C)c1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000032903687 206095610 /nfs/dbraw/zinc/09/56/10/206095610.db2.gz KWTJDSKNNATOOI-OAHLLOKOSA-N 0 0 396.541 4.598 50 0 GJAARN Cc1noc(Cc2ccccc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000096097055 206114564 /nfs/dbraw/zinc/11/45/64/206114564.db2.gz ARYSAXZJZDHUKA-UHFFFAOYSA-N 0 0 397.434 4.845 50 0 GJAARN CO[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(C)s1 ZINC000096104737 206116289 /nfs/dbraw/zinc/11/62/89/206116289.db2.gz XLFCGDXUKODPKV-IBGZPJMESA-N 0 0 379.481 4.798 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)NCCCCOc1ccc(Cl)cc1 ZINC000012799523 211691052 /nfs/dbraw/zinc/69/10/52/211691052.db2.gz DWPGEAQXYZPCDY-UHFFFAOYSA-N 0 0 382.287 4.656 50 0 GJAARN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C/c1cnn(Cc2ccccc2)c1 ZINC000096935746 206123542 /nfs/dbraw/zinc/12/35/42/206123542.db2.gz FRGCZAPNOCUQBB-QGMBQPNBSA-N 0 0 398.249 4.583 50 0 GJAARN Cc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)cc1 ZINC000252483879 206138604 /nfs/dbraw/zinc/13/86/04/206138604.db2.gz FKNPWBIJGXZKKX-UHFFFAOYSA-N 0 0 380.757 4.500 50 0 GJAARN COc1ccc(Nc2ncncc2-c2nc(-c3cccs3)no2)cc1Cl ZINC000252495268 206139465 /nfs/dbraw/zinc/13/94/65/206139465.db2.gz OOVAKMKDTHYZEO-UHFFFAOYSA-N 0 0 385.836 4.661 50 0 GJAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012697012 211687691 /nfs/dbraw/zinc/68/76/91/211687691.db2.gz UNNRRZKPNGRMTD-FRRDWIJNSA-N 0 0 397.466 4.919 50 0 GJAARN Cc1nc(C(=O)Nc2cccc3ccccc32)nn1-c1ccc(OC(F)F)cc1 ZINC000261490503 206182550 /nfs/dbraw/zinc/18/25/50/206182550.db2.gz ABLNDUPIHNYLLN-UHFFFAOYSA-N 0 0 394.381 4.583 50 0 GJAARN CCn1cc(-c2cccc(C(=O)N(C)CCSc3ccc(C)cc3)c2)cn1 ZINC000299766308 206186013 /nfs/dbraw/zinc/18/60/13/206186013.db2.gz NBXKZDWVTHYOFO-UHFFFAOYSA-N 0 0 379.529 4.743 50 0 GJAARN Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(C)Cc2cc(C)cc(C)n2)c1 ZINC000299795849 206191872 /nfs/dbraw/zinc/19/18/72/206191872.db2.gz MNNIDTPZSLXJGM-UHFFFAOYSA-N 0 0 384.430 4.538 50 0 GJAARN CCCc1nc(CNC(=O)c2cccc(-c3c(C)nn(CC)c3C)c2)cs1 ZINC000299799180 206192074 /nfs/dbraw/zinc/19/20/74/206192074.db2.gz VPSMLSZPYJQERL-UHFFFAOYSA-N 0 0 382.533 4.526 50 0 GJAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000206988125 211672650 /nfs/dbraw/zinc/67/26/50/211672650.db2.gz OXHUAGHMENTEGC-GOSISDBHSA-N 0 0 379.447 4.955 50 0 GJAARN O=C(c1ccccc1Br)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010880631 211670488 /nfs/dbraw/zinc/67/04/88/211670488.db2.gz RVWWNIPUZYILMF-UHFFFAOYSA-N 0 0 383.289 4.950 50 0 GJAARN O=C(c1ccccc1Br)N1CCC(c2nc3ccccc3o2)CC1 ZINC000008673432 211629668 /nfs/dbraw/zinc/62/96/68/211629668.db2.gz FXCNSPCSKQMGRH-UHFFFAOYSA-N 0 0 385.261 4.610 50 0 GJAARN CN(C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000006834024 211580951 /nfs/dbraw/zinc/58/09/51/211580951.db2.gz GSWIGBAGBSVXCO-UHFFFAOYSA-N 0 0 379.843 4.613 50 0 GJAARN Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2F)c1C ZINC000007179601 211582896 /nfs/dbraw/zinc/58/28/96/211582896.db2.gz RTNOMVDTQPQQJK-CQSZACIVSA-N 0 0 387.455 4.887 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000004851766 211551943 /nfs/dbraw/zinc/55/19/43/211551943.db2.gz OONKIMBJWBGABX-UHFFFAOYSA-N 0 0 378.428 4.963 50 0 GJAARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000004871114 211553619 /nfs/dbraw/zinc/55/36/19/211553619.db2.gz OKBZCQOAZNRUQV-GWCFXTLKSA-N 0 0 383.872 4.546 50 0 GJAARN CCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)cc1 ZINC000004167528 211535951 /nfs/dbraw/zinc/53/59/51/211535951.db2.gz SBZLKXNSCFCCQE-UHFFFAOYSA-N 0 0 385.514 4.507 50 0 GJAARN CCOc1ccc(C(=O)N2CCN=C2SCc2ccc(C)cc2)cc1OCC ZINC000004120369 211530856 /nfs/dbraw/zinc/53/08/56/211530856.db2.gz VTORSUYSTQGPMB-UHFFFAOYSA-N 0 0 398.528 4.538 50 0 GJAARN Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1cccnc1Cl ZINC000004063077 211528982 /nfs/dbraw/zinc/52/89/82/211528982.db2.gz RPZKUQPIJPOQCM-UHFFFAOYSA-N 0 0 380.860 4.967 50 0 GJAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccccc1)OCc1ccccc1 ZINC000001972370 211511065 /nfs/dbraw/zinc/51/10/65/211511065.db2.gz FDHCNNFAOKMTBK-UHFFFAOYSA-N 0 0 386.403 4.582 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000000954887 211499044 /nfs/dbraw/zinc/49/90/44/211499044.db2.gz DCCUSCSZUSIMNN-UHFFFAOYSA-N 0 0 388.467 4.882 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000000935620 211497588 /nfs/dbraw/zinc/49/75/88/211497588.db2.gz CZYICRHMGLPPLW-CQSZACIVSA-N 0 0 375.852 4.540 50 0 GJAARN COc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000814829 211490939 /nfs/dbraw/zinc/49/09/39/211490939.db2.gz YGMJAEZZWWSJJM-LBPRGKRZSA-N 0 0 399.541 4.698 50 0 GJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(C)c3)C2)cc1 ZINC000102578802 211410402 /nfs/dbraw/zinc/41/04/02/211410402.db2.gz JTKACBHEXOEHJQ-HTAPYJJXSA-N 0 0 386.455 4.660 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C\c1ccccc1)CC2 ZINC000098053383 211378839 /nfs/dbraw/zinc/37/88/39/211378839.db2.gz WEQPYXKVKPOCDO-JKCKFMQZSA-N 0 0 399.490 4.891 50 0 GJAARN COc1ccc(-c2c(NC(=O)c3cccs3)oc3ccccc3c2=O)cc1 ZINC000101192113 211396410 /nfs/dbraw/zinc/39/64/10/211396410.db2.gz YNVLFHZQDSONKJ-UHFFFAOYSA-N 0 0 377.421 4.782 50 0 GJAARN O=C1O[C@@H](C(=CNc2ccc(Oc3ccccc3)cc2)[N+](=O)[O-])c2ccccc21 ZINC000100472800 211387225 /nfs/dbraw/zinc/38/72/25/211387225.db2.gz FUMVHXULYBNZFV-JCZXDDDQSA-N 0 0 388.379 4.921 50 0 GJAARN Cc1ccccc1-c1nc(CN[C@@H](C)CCc2ccc(OC(F)F)cc2)no1 ZINC000097164462 211361077 /nfs/dbraw/zinc/36/10/77/211361077.db2.gz VYDIIWWQWPHIJT-HNNXBMFYSA-N 0 0 387.430 4.757 50 0 GJAARN COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1Cl ZINC000097165209 211359827 /nfs/dbraw/zinc/35/98/27/211359827.db2.gz SKUOXZFNNIORMN-SFHVURJKSA-N 0 0 380.831 4.933 50 0 GJAARN Clc1ccc(OCc2cccnc2)c(CNc2ccc3c(c2)OCCO3)c1 ZINC000097465897 211365143 /nfs/dbraw/zinc/36/51/43/211365143.db2.gz LDWJVYVXNQMHHP-UHFFFAOYSA-N 0 0 382.847 4.697 50 0 GJAARN CCOc1ccc(/C=C\C(=O)N(C)Cc2cccc3ccccc32)cc1OC ZINC000097026498 211355012 /nfs/dbraw/zinc/35/50/12/211355012.db2.gz NJPPQHBBMAAIJA-SQFISAMPSA-N 0 0 375.468 4.919 50 0 GJAARN COC(=O)/C=C\c1ccc(OCc2ncc(-c3cccc(Cl)c3)o2)c(OC)c1 ZINC000096988739 211355031 /nfs/dbraw/zinc/35/50/31/211355031.db2.gz UDPWBMUAMXAKRL-CLFYSBASSA-N 0 0 399.830 4.769 50 0 GJAARN O=C(/C=C\c1cccc(F)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000096936351 211353714 /nfs/dbraw/zinc/35/37/14/211353714.db2.gz VOKDWKOLKNNCFV-WTKPLQERSA-N 0 0 392.352 4.845 50 0 GJAARN COc1cccc(/C=C\C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000096920862 211350754 /nfs/dbraw/zinc/35/07/54/211350754.db2.gz NUMAZWIXGBCVMR-ZXEGGCGDSA-N 0 0 375.493 4.944 50 0 GJAARN CN(Cc1ccco1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000096817238 211347508 /nfs/dbraw/zinc/34/75/08/211347508.db2.gz QHGHVOVVOHJYAC-PFONDFGASA-N 0 0 397.478 4.863 50 0 GJAARN O=C(/C=C\c1cccs1)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1 ZINC000096794983 211347205 /nfs/dbraw/zinc/34/72/05/211347205.db2.gz CZGQMSOYTQBSMJ-SEYXRHQNSA-N 0 0 380.513 4.704 50 0 GJAARN COc1ccc(-c2csc3[nH]c(C=Cc4ccsc4)nc(=O)c23)cc1OC ZINC000096759326 211346898 /nfs/dbraw/zinc/34/68/98/211346898.db2.gz BQNGDOODKKXXBJ-UTCJRWHESA-N 0 0 396.493 4.901 50 0 GJAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccco1 ZINC000096551406 211343252 /nfs/dbraw/zinc/34/32/52/211343252.db2.gz KINOGTVZCBHINV-RAXLEYEMSA-N 0 0 387.414 4.601 50 0 GJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)Cc2cccc(F)c2)cc1OCC ZINC000096398995 211342339 /nfs/dbraw/zinc/34/23/39/211342339.db2.gz WSMNWNCGQSIPHA-UHFFFAOYSA-N 0 0 397.450 4.503 50 0 GJAARN CCn1c(-c2cc(NC(=O)CCc3cccc(OC)c3)n[nH]2)cc2ccccc21 ZINC000096400258 211342077 /nfs/dbraw/zinc/34/20/77/211342077.db2.gz UJKYNXUXZAVMMI-UHFFFAOYSA-N 0 0 388.471 4.631 50 0 GJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000096323933 211334514 /nfs/dbraw/zinc/33/45/14/211334514.db2.gz HHXCQXDYFCLRGN-UHFFFAOYSA-N 0 0 375.325 4.862 50 0 GJAARN COc1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC000096323926 211334197 /nfs/dbraw/zinc/33/41/97/211334197.db2.gz INSPQYWFBQGARM-UHFFFAOYSA-N 0 0 387.361 4.732 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc(C)c2)no1 ZINC000096294217 211331874 /nfs/dbraw/zinc/33/18/74/211331874.db2.gz FDJVKYWHNTYREP-UTKZUKDTSA-N 0 0 377.488 4.881 50 0 GJAARN Cc1ccccc1Cn1c(C(=O)NC2CC2)cc2scc(Br)c21 ZINC000096280415 211329444 /nfs/dbraw/zinc/32/94/44/211329444.db2.gz OYOISEOPBVRXSR-UHFFFAOYSA-N 0 0 389.318 4.714 50 0 GJAARN Cc1ccc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)cc1 ZINC000096277443 211329495 /nfs/dbraw/zinc/32/94/95/211329495.db2.gz BENVGGRHBHNEHZ-NRFANRHFSA-N 0 0 383.451 4.759 50 0 GJAARN COc1cccc(-c2cc(CN(Cc3ccco3)C(=O)C3CCCC3)no2)c1 ZINC000096279805 211329249 /nfs/dbraw/zinc/32/92/49/211329249.db2.gz VQDABNPXPMZIJF-UHFFFAOYSA-N 0 0 380.444 4.662 50 0 GJAARN CC(C)c1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1 ZINC000096386902 211339962 /nfs/dbraw/zinc/33/99/62/211339962.db2.gz OVLBHGGSFBCHNY-JOCHJYFZSA-N 0 0 399.494 4.613 50 0 GJAARN Clc1ccc(OCc2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193900 211317632 /nfs/dbraw/zinc/31/76/32/211317632.db2.gz WTBCQEULMZWTOD-UHFFFAOYSA-N 0 0 382.832 4.831 50 0 GJAARN Cc1noc(C)c1CCC(=O)Nc1nc(-c2c(C)n(C)c3ccccc32)cs1 ZINC000096231031 211322057 /nfs/dbraw/zinc/32/20/57/211322057.db2.gz LWHUXANOARBATH-UHFFFAOYSA-N 0 0 394.500 4.786 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)N1CC[C@H](c2nc3ccncc3n2C(C)C)C1 ZINC000096125319 211304627 /nfs/dbraw/zinc/30/46/27/211304627.db2.gz UJURTZNGZKLAIT-HNNXBMFYSA-N 0 0 397.910 4.995 50 0 GJAARN Cc1ccc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)c(Cl)c1 ZINC000096125278 211304425 /nfs/dbraw/zinc/30/44/25/211304425.db2.gz MDXGRBJANKLJJX-OAHLLOKOSA-N 0 0 397.910 4.995 50 0 GJAARN Cc1nn(C(C)C)c(C)c1CN(C)C(=O)Nc1cccc(-c2cccnc2)c1 ZINC000096133264 211304490 /nfs/dbraw/zinc/30/44/90/211304490.db2.gz RLZNYVJLUZKCHU-UHFFFAOYSA-N 0 0 377.492 4.807 50 0 GJAARN O=C(N[C@H]1CCCc2c3cc(F)ccc3[nH]c21)C1(c2ccccc2)CCOCC1 ZINC000096117960 211302999 /nfs/dbraw/zinc/30/29/99/211302999.db2.gz XSLDWKZUZFIZQA-NRFANRHFSA-N 0 0 392.474 4.549 50 0 GJAARN Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cccnc1C 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Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCSc4c(F)cccc43)cc2)n1 ZINC000095392529 211236488 /nfs/dbraw/zinc/23/64/88/211236488.db2.gz VGOCBWQZXYUJLN-FQEVSTJZSA-N 0 0 395.503 4.654 50 0 GJAARN O=C(NCc1nc2ccccc2s1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000095469936 211246026 /nfs/dbraw/zinc/24/60/26/211246026.db2.gz MQQUVYAUJJNQJV-STQMWFEESA-N 0 0 376.403 4.735 50 0 GJAARN Cc1cnc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(C)c1 ZINC000095468438 211245098 /nfs/dbraw/zinc/24/50/98/211245098.db2.gz URTOZZJAGFGJNO-UHFFFAOYSA-N 0 0 398.260 4.901 50 0 GJAARN CN(Cc1ccc([S@@](C)=O)cc1)c1ccc2ccc(Cl)c(Cl)c2n1 ZINC000095462976 211244587 /nfs/dbraw/zinc/24/45/87/211244587.db2.gz VVAWSFATWUAPFU-DEOSSOPVSA-N 0 0 379.312 4.915 50 0 GJAARN Cn1cc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)ccc1=O ZINC000095369244 211228124 /nfs/dbraw/zinc/22/81/24/211228124.db2.gz AHABZGYWZLKKIB-UHFFFAOYSA-N 0 0 395.528 4.517 50 0 GJAARN CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3cc[nH]c(=S)n3)cc2)n1 ZINC000091695781 211203675 /nfs/dbraw/zinc/20/36/75/211203675.db2.gz 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Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccccc1F)CC(=O)N2 ZINC000021661015 210390297 /nfs/dbraw/zinc/39/02/97/210390297.db2.gz WPUYTFBNQYROTI-CQSZACIVSA-N 0 0 392.459 4.712 50 0 GJAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1 ZINC000021662789 210390129 /nfs/dbraw/zinc/39/01/29/210390129.db2.gz FEVDPDDOTQBOEN-UHFFFAOYSA-N 0 0 395.462 4.790 50 0 GJAARN Cc1c2ccccc2sc1C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000021637135 210387297 /nfs/dbraw/zinc/38/72/97/210387297.db2.gz JKNIGGJTYWAXHV-OAHLLOKOSA-N 0 0 376.485 4.624 50 0 GJAARN O=c1c(NCCc2ccc(Cl)cc2)nccn1-c1cccc(C(F)(F)F)c1 ZINC000021537000 210385750 /nfs/dbraw/zinc/38/57/50/210385750.db2.gz AFIQTAIWUIPDNC-UHFFFAOYSA-N 0 0 393.796 4.559 50 0 GJAARN COc1cccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000021538369 210385615 /nfs/dbraw/zinc/38/56/15/210385615.db2.gz VIDWHYAQFHAOHB-OAQYLSRUSA-N 0 0 389.430 4.764 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000021537924 210385715 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Cc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)s1 ZINC000021806044 210395203 /nfs/dbraw/zinc/39/52/03/210395203.db2.gz HEAMNUYXNXSVHJ-UHFFFAOYSA-N 0 0 387.530 4.890 50 0 GJAARN Cc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000021787683 210394017 /nfs/dbraw/zinc/39/40/17/210394017.db2.gz RNDLLZGDZCZBFL-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)cc1 ZINC000021800508 210393676 /nfs/dbraw/zinc/39/36/76/210393676.db2.gz OMXZOGXBWZBDBI-CQSZACIVSA-N 0 0 385.851 4.721 50 0 GJAARN Cc1cc(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)ccc1Br ZINC000021108212 210378230 /nfs/dbraw/zinc/37/82/30/210378230.db2.gz FPKONGXEQWIROT-LJQANCHMSA-N 0 0 394.272 4.924 50 0 GJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(F)cc2Cl)cc1 ZINC000021107056 210376404 /nfs/dbraw/zinc/37/64/04/210376404.db2.gz KOWHRARKIKXBPE-FQEVSTJZSA-N 0 0 397.837 4.649 50 0 GJAARN Cc1csc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000021335045 210382501 /nfs/dbraw/zinc/38/25/01/210382501.db2.gz WQPJTMCXICJTFI-UHFFFAOYSA-N 0 0 378.906 4.773 50 0 GJAARN CC[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(OC)cc1 ZINC000021385754 210381830 /nfs/dbraw/zinc/38/18/30/210381830.db2.gz MLQQUFWDKSPISS-LJQANCHMSA-N 0 0 382.435 4.689 50 0 GJAARN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N(C)c3ccc(C)cc3)c2)on1 ZINC000020979044 210371704 /nfs/dbraw/zinc/37/17/04/210371704.db2.gz PCXLDHZEBOLQIZ-UHFFFAOYSA-N 0 0 384.501 4.907 50 0 GJAARN CCCc1nc(-n2cccc2)sc1C(=O)NCCc1ccc(SC)cc1 ZINC000020946500 210371427 /nfs/dbraw/zinc/37/14/27/210371427.db2.gz ROSFEDQNDUCBLH-UHFFFAOYSA-N 0 0 385.558 4.581 50 0 GJAARN COc1ccc(-c2noc(CSCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000020931023 210371224 /nfs/dbraw/zinc/37/12/24/210371224.db2.gz FYMRQKVRMHXCEC-UHFFFAOYSA-N 0 0 397.500 4.741 50 0 GJAARN CCN(C(=O)c1noc2c1COc1ccccc1-2)c1cc(Cl)ccc1OC ZINC000020901936 210367202 /nfs/dbraw/zinc/36/72/02/210367202.db2.gz KPPVCGINHUNKCQ-UHFFFAOYSA-N 0 0 384.819 4.563 50 0 GJAARN CCOc1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1 ZINC000020865392 210365748 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COc1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1Cl ZINC000020437470 210332916 /nfs/dbraw/zinc/33/29/16/210332916.db2.gz HXNMZSUGJHCAMM-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2)c1 ZINC000019855211 210303354 /nfs/dbraw/zinc/30/33/54/210303354.db2.gz JOGAATZPDGEUGG-UHFFFAOYSA-N 0 0 382.467 4.617 50 0 GJAARN O=C(CSc1nc2cc(Cl)ccc2o1)Nc1nc2ccccc2s1 ZINC000019851194 210302623 /nfs/dbraw/zinc/30/26/23/210302623.db2.gz ZQZHJZHSRXHBKC-UHFFFAOYSA-N 0 0 375.862 4.822 50 0 GJAARN O=C(CC1=CCCCC1)N1CCC[C@H]1c1ccc(C(=O)Nc2ccccn2)s1 ZINC000019840930 210301509 /nfs/dbraw/zinc/30/15/09/210301509.db2.gz HIXNWAMQADCGIA-KRWDZBQOSA-N 0 0 395.528 4.949 50 0 GJAARN CCc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2OC)no1 ZINC000019816342 210300704 /nfs/dbraw/zinc/30/07/04/210300704.db2.gz PNYCWHKSDPIWSY-UHFFFAOYSA-N 0 0 379.460 4.577 50 0 GJAARN C[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000019600720 210275866 /nfs/dbraw/zinc/27/58/66/210275866.db2.gz 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CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000011914660 221136642 /nfs/dbraw/zinc/13/66/42/221136642.db2.gz PYNHZVONYGRRDQ-GOSISDBHSA-N 0 0 382.435 4.531 50 0 GJAARN Cc1nc(S[C@H](C)C(=O)c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1C ZINC000012553000 221205823 /nfs/dbraw/zinc/20/58/23/221205823.db2.gz HLNNMTOJOPSXPO-RHSMWYFYSA-N 0 0 378.925 4.696 50 0 GJAARN COc1ccc(Nc2nn(CN(C)Cc3sccc3C)c(=S)s2)cc1 ZINC000012558126 221207239 /nfs/dbraw/zinc/20/72/39/221207239.db2.gz ISRSXPMCXMZVTP-UHFFFAOYSA-N 0 0 392.575 4.886 50 0 GJAARN O=C(Nc1ccnn1Cc1ccccc1Br)c1cc2ccccc2o1 ZINC000012808668 221235168 /nfs/dbraw/zinc/23/51/68/221235168.db2.gz HRQCJOBNOSFLCE-UHFFFAOYSA-N 0 0 396.244 4.692 50 0 GJAARN COc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c32)cc1N1CCCCC1=O ZINC000040094577 132395400 /nfs/dbraw/zinc/39/54/00/132395400.db2.gz WUMTUDBWQWPAKD-UHFFFAOYSA-N 0 0 391.471 4.563 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1F)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000063888814 136156530 /nfs/dbraw/zinc/15/65/30/136156530.db2.gz 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/nfs/dbraw/zinc/20/39/47/136203947.db2.gz AAHIYCOGKGHVJH-UHFFFAOYSA-N 0 0 397.525 4.724 50 0 GJAARN CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1 ZINC000027778880 221659995 /nfs/dbraw/zinc/65/99/95/221659995.db2.gz WUHAAIMSPZPVFE-CYBMUJFWSA-N 0 0 384.505 4.871 50 0 GJAARN COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(Cl)c2)c1 ZINC000040267089 221917630 /nfs/dbraw/zinc/91/76/30/221917630.db2.gz IMMITLPNKNLRNL-OAHLLOKOSA-N 0 0 383.835 4.667 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(F)c4)c3N)n2)cc1C ZINC000064664525 222078506 /nfs/dbraw/zinc/07/85/06/222078506.db2.gz AXKRZUVEWYBBQI-UHFFFAOYSA-N 0 0 379.464 4.704 50 0 GJAARN CC[C@@H](NC(=O)NCCc1coc(-c2ccc(C)cc2)n1)c1ccc(OC)cc1 ZINC000072083960 222206296 /nfs/dbraw/zinc/20/62/96/222206296.db2.gz DFHXIBKBQMCAFS-OAQYLSRUSA-N 0 0 393.487 4.652 50 0 GJAARN CCNc1nc2c(s1)[C@H](c1ccc(OCc3cccc(F)c3)cc1)CC(=O)N2 ZINC000035324881 517669150 /nfs/dbraw/zinc/66/91/50/517669150.db2.gz HXJRSQNPLRKMKU-KRWDZBQOSA-N 0 0 397.475 4.767 50 0 GJAARN O=C(NCCSCc1cccs1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000032753148 534401617 /nfs/dbraw/zinc/40/16/17/534401617.db2.gz ZXSABGJIWWYECV-UHFFFAOYSA-N 0 0 399.512 4.781 50 0 GJAARN Cc1noc([C@@H]2CCCN2C(=O)c2cccc(-c3ccc(C)c(Cl)c3)c2)n1 ZINC000426497489 534451628 /nfs/dbraw/zinc/45/16/28/534451628.db2.gz WJCAEGYSLNUHHV-IBGZPJMESA-N 0 0 381.863 4.984 50 0 GJAARN CCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000248376069 521287780 /nfs/dbraw/zinc/28/77/80/521287780.db2.gz BXJRUGUVBIWBJI-ONILKBQJSA-N 0 0 392.543 4.729 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)[C@H]1C ZINC000245228395 524306528 /nfs/dbraw/zinc/30/65/28/524306528.db2.gz VJYHHKMHISXAIU-JTDSTZFVSA-N 0 0 391.939 4.636 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)C12CCCCC2 ZINC000072401950 527956871 /nfs/dbraw/zinc/95/68/71/527956871.db2.gz JXPFRWDEVJTNNF-OAQYLSRUSA-N 0 0 391.515 4.619 50 0 GJAARN CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc(F)c(F)c(F)c3F)cc21 ZINC000003219019 528129212 /nfs/dbraw/zinc/12/92/12/528129212.db2.gz YEUIKJSJNYGXCK-UHFFFAOYSA-N 0 0 396.292 4.694 50 0 GJAARN COC1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000096104513 536758023 /nfs/dbraw/zinc/75/80/23/536758023.db2.gz WERSZNLCZYFWJN-UHFFFAOYSA-N 0 0 393.409 4.965 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000000636908 570212560 /nfs/dbraw/zinc/21/25/60/570212560.db2.gz KTFIQTRRWHHMGH-UHFFFAOYSA-N 0 0 384.284 4.973 50 0 GJAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(Cl)cc1 ZINC000000625299 570211153 /nfs/dbraw/zinc/21/11/53/570211153.db2.gz KUPPURTUDQUJNZ-SFHVURJKSA-N 0 0 386.904 4.613 50 0 GJAARN Cc1nc2n(n1)[C@@H](c1ccc(C)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000000633711 570212472 /nfs/dbraw/zinc/21/24/72/570212472.db2.gz JRKSVMOCRSKHBL-GOSISDBHSA-N 0 0 381.277 4.713 50 0 GJAARN Cc1nn(C)c(Cl)c1CN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019745477 570213614 /nfs/dbraw/zinc/21/36/14/570213614.db2.gz QUVQMBANTBUZLB-FQEVSTJZSA-N 0 0 385.870 4.657 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC[C@@H]2C)cc1 ZINC000000644174 570213996 /nfs/dbraw/zinc/21/39/96/570213996.db2.gz UOEPXTBCYDKLIR-AWEZNQCLSA-N 0 0 386.879 4.616 50 0 GJAARN NC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2 ZINC000000656860 570215072 /nfs/dbraw/zinc/21/50/72/570215072.db2.gz YPUMJSFWUGEOFL-VAWYXSNFSA-N 0 0 388.920 4.811 50 0 GJAARN CCc1c(C)sc(NC(=O)c2cc3ccccc3oc2=O)c1C(=O)OC(C)C ZINC000000657183 570215129 /nfs/dbraw/zinc/21/51/29/570215129.db2.gz VQETVNZHBOPWOF-UHFFFAOYSA-N 0 0 399.468 4.543 50 0 GJAARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)o3)c2C(=O)OC(C)C)C1 ZINC000000667512 570215458 /nfs/dbraw/zinc/21/54/58/570215458.db2.gz CROXCYAFGVHAHP-CYBMUJFWSA-N 0 0 375.490 4.982 50 0 GJAARN CC1(C)C[C@@H](NC(=O)c2cccs2)C[C@](C)(CNC(=O)c2cccs2)C1 ZINC000000668832 570215520 /nfs/dbraw/zinc/21/55/20/570215520.db2.gz POELBCUWPASYPJ-VLIAUNLRSA-N 0 0 390.574 4.554 50 0 GJAARN COc1ccc(CCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000674221 570216019 /nfs/dbraw/zinc/21/60/19/570216019.db2.gz MKMYSENFQGJGPQ-JOCHJYFZSA-N 0 0 377.509 4.888 50 0 biogenic GJAARN O=C(Oc1ccc(Cl)cc1Br)c1ccc(Br)o1 ZINC000000676659 570216071 /nfs/dbraw/zinc/21/60/71/570216071.db2.gz YWEJBUXKFUUPCN-UHFFFAOYSA-N 0 0 380.419 4.677 50 0 GJAARN CCCN(CCC)C(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000015720995 570218352 /nfs/dbraw/zinc/21/83/52/570218352.db2.gz LKSAVIVJIBUPLD-NRFANRHFSA-N 0 0 382.479 4.562 50 0 GJAARN CC[C@@H](NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)c1cc(C)ccn1 ZINC000096167124 570218351 /nfs/dbraw/zinc/21/83/51/570218351.db2.gz WAGDBNXBBONCFL-LJQANCHMSA-N 0 0 380.492 4.792 50 0 GJAARN Clc1ccccc1OCc1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096193904 570218825 /nfs/dbraw/zinc/21/88/25/570218825.db2.gz CEPKWCNMTSWLRP-UHFFFAOYSA-N 0 0 382.832 4.831 50 0 GJAARN COc1ccc(C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1Br ZINC000000724153 570220380 /nfs/dbraw/zinc/22/03/80/570220380.db2.gz WQTAFNBXTNHQJL-UHFFFAOYSA-N 0 0 391.290 4.937 50 0 GJAARN CC(=O)c1cccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)c1 ZINC000019816272 570221538 /nfs/dbraw/zinc/22/15/38/570221538.db2.gz CITUSMDIVYBOSR-UHFFFAOYSA-N 0 0 383.835 4.554 50 0 GJAARN CCNC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCCC2 ZINC000000730327 570221580 /nfs/dbraw/zinc/22/15/80/570221580.db2.gz RPZYLTIFJOMXHO-UHFFFAOYSA-N 0 0 382.485 4.684 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000000780307 570222694 /nfs/dbraw/zinc/22/26/94/570222694.db2.gz DNRBVTQMPHFQBN-UHFFFAOYSA-N 0 0 379.803 4.561 50 0 GJAARN Cc1nn2c(ncc(C(=O)NC3CCCCCC3)c2C)c1-c1cccc(C)c1 ZINC000015733095 570223684 /nfs/dbraw/zinc/22/36/84/570223684.db2.gz ACHJZLZOAZPSJX-UHFFFAOYSA-N 0 0 376.504 4.774 50 0 GJAARN CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 ZINC000000797151 570223919 /nfs/dbraw/zinc/22/39/19/570223919.db2.gz SKCLVNTZOWQSMK-UHFFFAOYSA-N 0 0 384.819 4.836 50 0 GJAARN COc1cc(-c2ccccc2)nc(Oc2cccc(Cl)c2C(OC)OC)n1 ZINC000085388952 570224894 /nfs/dbraw/zinc/22/48/94/570224894.db2.gz PDOZQFGMUZNZQU-UHFFFAOYSA-N 0 0 386.835 4.889 50 0 GJAARN Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2cnn(C(C)C)c2n1 ZINC000048263744 570224998 /nfs/dbraw/zinc/22/49/98/570224998.db2.gz RDHOUPSVWCKEOM-QFIPXVFZSA-N 0 0 399.498 4.577 50 0 GJAARN CCOC(=O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000821053 570225213 /nfs/dbraw/zinc/22/52/13/570225213.db2.gz LYHKRGXUYRBKPJ-UHFFFAOYSA-N 0 0 385.467 4.873 50 0 GJAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000000882155 570227865 /nfs/dbraw/zinc/22/78/65/570227865.db2.gz IUTOGNZKHRRABF-UHFFFAOYSA-N 0 0 387.936 4.766 50 0 GJAARN O=S(=O)(c1ccccc1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000023305944 570228114 /nfs/dbraw/zinc/22/81/14/570228114.db2.gz FAIARYVLPAUFLC-UHFFFAOYSA-N 0 0 391.536 4.997 50 0 GJAARN CC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000006051615 570228954 /nfs/dbraw/zinc/22/89/54/570228954.db2.gz YQBRKVSOKZFVMJ-CQSZACIVSA-N 0 0 390.512 4.986 50 0 GJAARN Cc1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2ccc(F)cc2n1 ZINC000048291107 570229381 /nfs/dbraw/zinc/22/93/81/570229381.db2.gz YJOFZVCJDAQKIQ-HSZRJFAPSA-N 0 0 385.442 4.939 50 0 GJAARN Cc1cc(I)ccc1NC(=O)/C=C/c1ccccc1Cl ZINC000000940156 570230318 /nfs/dbraw/zinc/23/03/18/570230318.db2.gz SZXNUSHYZZMNCJ-RMKNXTFCSA-N 0 0 397.643 4.905 50 0 GJAARN O=C(OCc1ccc2nonc2c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000974302 570232597 /nfs/dbraw/zinc/23/25/97/570232597.db2.gz LBBPUERFZHYEGM-UHFFFAOYSA-N 0 0 381.391 4.795 50 0 GJAARN CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc12 ZINC000019942968 570232802 /nfs/dbraw/zinc/23/28/02/570232802.db2.gz OHMWYPLKQFDLSN-IRXDYDNUSA-N 0 0 375.534 4.685 50 0 GJAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nnc(SCCC(C)C)n21 ZINC000000985193 570233348 /nfs/dbraw/zinc/23/33/48/570233348.db2.gz UXORJWBDPSRUDG-UHFFFAOYSA-N 0 0 398.557 4.850 50 0 GJAARN Cc1c(C)n(C(=O)CSc2nnc3sc4ccccc4n23)c2ccccc12 ZINC000000986286 570233359 /nfs/dbraw/zinc/23/33/59/570233359.db2.gz QFARREGEVOTTFX-UHFFFAOYSA-N 0 0 392.509 4.948 50 0 GJAARN O=C(Oc1cccc2ccccc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000991720 570233535 /nfs/dbraw/zinc/23/35/35/570233535.db2.gz CTTNVVTWGJDTOT-UHFFFAOYSA-N 0 0 393.398 4.860 50 0 GJAARN COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000000992985 570233957 /nfs/dbraw/zinc/23/39/57/570233957.db2.gz UYWFYNKGCMTDIS-KRWDZBQOSA-N 0 0 389.451 4.906 50 0 GJAARN CCc1c(C)sc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C(N)=O ZINC000000996178 570234407 /nfs/dbraw/zinc/23/44/07/570234407.db2.gz LSTLRDZUXNATJZ-UHFFFAOYSA-N 0 0 392.480 4.594 50 0 GJAARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CC1 ZINC000000999227 570234828 /nfs/dbraw/zinc/23/48/28/570234828.db2.gz PRVBVITZLIFATO-UHFFFAOYSA-N 0 0 394.290 4.703 50 0 GJAARN O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000001013032 570235209 /nfs/dbraw/zinc/23/52/09/570235209.db2.gz MJNAGJQSHCWOGP-VIZOYTHASA-N 0 0 380.252 4.936 50 0 GJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000247735624 570235216 /nfs/dbraw/zinc/23/52/16/570235216.db2.gz KPZBQPDPSFOFHY-IXDOHACOSA-N 0 0 394.544 4.635 50 0 GJAARN COc1c(Cl)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Br ZINC000001018416 570235258 /nfs/dbraw/zinc/23/52/58/570235258.db2.gz VJCKGCQAWKDFOU-WDZFZDKYSA-N 0 0 390.686 4.556 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Cl)c1 ZINC000051364568 570235637 /nfs/dbraw/zinc/23/56/37/570235637.db2.gz WWKLELSBIOBNPV-INIZCTEOSA-N 0 0 378.859 4.807 50 0 GJAARN COC(=O)c1c(C)csc1NC(=O)CSCc1c(F)cccc1Cl ZINC000001025411 570235652 /nfs/dbraw/zinc/23/56/52/570235652.db2.gz HRJLZBMDRBGBNF-UHFFFAOYSA-N 0 0 387.885 4.508 50 0 GJAARN CC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816845 570236179 /nfs/dbraw/zinc/23/61/79/570236179.db2.gz MYUFUSQOGBNFNF-MSOLQXFVSA-N 0 0 387.270 4.672 50 0 GJAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCCc1cccs1 ZINC000023311167 570236384 /nfs/dbraw/zinc/23/63/84/570236384.db2.gz LXIMYUWZEYIPQH-UHFFFAOYSA-N 0 0 380.391 4.703 50 0 GJAARN Cc1c2ccccc2oc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001055441 570238982 /nfs/dbraw/zinc/23/89/82/570238982.db2.gz DSZZNTYNFPTENH-UHFFFAOYSA-N 0 0 388.389 4.722 50 0 GJAARN COC(=O)c1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001084557 570241371 /nfs/dbraw/zinc/24/13/71/570241371.db2.gz YYTLYYPVAYFHRP-UHFFFAOYSA-N 0 0 390.508 4.872 50 0 GJAARN Cc1c(C[NH2+]CCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000015776937 570241310 /nfs/dbraw/zinc/24/13/10/570241310.db2.gz LKMQKPRQGHOORB-UHFFFAOYSA-N 0 0 394.490 4.631 50 0 GJAARN COc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000001110559 570242636 /nfs/dbraw/zinc/24/26/36/570242636.db2.gz SUWGOGPSXPRWLG-UHFFFAOYSA-N 0 0 385.423 4.593 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000001113475 570242656 /nfs/dbraw/zinc/24/26/56/570242656.db2.gz SZKGGEVHKLXDDN-PKNBQFBNSA-N 0 0 396.830 4.846 50 0 GJAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCC=C(C)C)cc2oc1=O ZINC000001119975 570243481 /nfs/dbraw/zinc/24/34/81/570243481.db2.gz ZTSMWMHDEWBSND-UHFFFAOYSA-N 0 0 378.852 4.596 50 0 GJAARN COC(=O)c1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000001120717 570243743 /nfs/dbraw/zinc/24/37/43/570243743.db2.gz JXZMXHZEQJHLHO-QFIPXVFZSA-N 0 0 389.451 4.908 50 0 GJAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Nc1nccs1 ZINC000001125078 570244147 /nfs/dbraw/zinc/24/41/47/570244147.db2.gz XNUCRDQYQVTGBI-NSHDSACASA-N 0 0 388.518 4.610 50 0 GJAARN CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccc(F)cc2)cc1 ZINC000001125254 570244296 /nfs/dbraw/zinc/24/42/96/570244296.db2.gz OIFLEDQBHIIPQZ-SFTDATJTSA-N 0 0 383.463 4.876 50 0 GJAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000048365223 570245465 /nfs/dbraw/zinc/24/54/65/570245465.db2.gz NPIIOVKSFAVMDE-IBGZPJMESA-N 0 0 388.305 4.754 50 0 GJAARN Cc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1-c1ccccc1 ZINC000006110491 570245761 /nfs/dbraw/zinc/24/57/61/570245761.db2.gz RXIAHNMTDLOLFQ-UHFFFAOYSA-N 0 0 393.299 4.613 50 0 GJAARN O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000001132502 570246312 /nfs/dbraw/zinc/24/63/12/570246312.db2.gz YQSNJIYVZKJZJU-HSZRJFAPSA-N 0 0 388.854 4.604 50 0 GJAARN CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cccc2ccccc21 ZINC000048366407 570246374 /nfs/dbraw/zinc/24/63/74/570246374.db2.gz DQWMCRCYXFGYPM-UHFFFAOYSA-N 0 0 387.888 4.563 50 0 GJAARN C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(OCc2ccccn2)c1 ZINC000048374348 570247677 /nfs/dbraw/zinc/24/76/77/570247677.db2.gz JOHSEWYHGZYDLA-KRWDZBQOSA-N 0 0 385.467 4.562 50 0 GJAARN O=C(NCc1ccccn1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 ZINC000001144362 570248188 /nfs/dbraw/zinc/24/81/88/570248188.db2.gz OGNLGCYGYYXCDZ-UHFFFAOYSA-N 0 0 387.266 4.897 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2csc(-c3ccccn3)n2)N1c1ccccc1 ZINC000048375261 570249237 /nfs/dbraw/zinc/24/92/37/570249237.db2.gz LDOXUDCXYWKCBS-HXUWFJFHSA-N 0 0 384.464 4.976 50 0 GJAARN CSc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001160251 570251838 /nfs/dbraw/zinc/25/18/38/570251838.db2.gz KEXGZMPQJLGKFO-UHFFFAOYSA-N 0 0 383.538 4.800 50 0 GJAARN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(F)c(F)c2F)c1C(F)(F)F ZINC000120637130 570252540 /nfs/dbraw/zinc/25/25/40/570252540.db2.gz ATDNJEUMZSWIIS-UHFFFAOYSA-N 0 0 399.294 4.869 50 0 GJAARN O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000001509215 570253513 /nfs/dbraw/zinc/25/35/13/570253513.db2.gz DWNQRWHWCUVEOV-UHFFFAOYSA-N 0 0 396.446 4.586 50 0 GJAARN O=C(CCSc1nc2ccccc2o1)Nc1ccccc1Br ZINC000001175114 570254091 /nfs/dbraw/zinc/25/40/91/570254091.db2.gz BZYWEINXXHJYOQ-UHFFFAOYSA-N 0 0 377.263 4.711 50 0 GJAARN Cc1nc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc4ccccc4c3)cc2s1 ZINC000048800963 570254276 /nfs/dbraw/zinc/25/42/76/570254276.db2.gz FSNLQCZCXNVFNL-ZDUSSCGKSA-N 0 0 389.480 4.574 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000001176657 570254487 /nfs/dbraw/zinc/25/44/87/570254487.db2.gz CTHLKUONWVJXOO-UHFFFAOYSA-N 0 0 390.370 4.657 50 0 GJAARN COc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl ZINC000001178571 570254513 /nfs/dbraw/zinc/25/45/13/570254513.db2.gz OEQZZWJHAJEXHQ-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN COc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000001179867 570254652 /nfs/dbraw/zinc/25/46/52/570254652.db2.gz YLLRVAAABCQSTL-SOFGYWHQSA-N 0 0 381.284 4.528 50 0 GJAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1 ZINC000001180129 570254905 /nfs/dbraw/zinc/25/49/05/570254905.db2.gz QVERHLOHHLNXMU-UHFFFAOYSA-N 0 0 376.909 4.778 50 0 GJAARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCc2ccccc2F)[C@H]3CCC1 ZINC000020407726 570254981 /nfs/dbraw/zinc/25/49/81/570254981.db2.gz YTYAVJOYIIGHRM-QFIPXVFZSA-N 0 0 376.475 4.941 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000001180285 570255019 /nfs/dbraw/zinc/25/50/19/570255019.db2.gz YTLLSUBGPURCRB-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN CC(=O)c1c(C)n(Cc2ccccc2)c(=S)nc1NCCc1ccccc1 ZINC000001181760 570255505 /nfs/dbraw/zinc/25/55/05/570255505.db2.gz WQJMUXWRJYBLJU-UHFFFAOYSA-N 0 0 377.513 4.827 50 0 GJAARN CC(=O)c1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001182882 570255902 /nfs/dbraw/zinc/25/59/02/570255902.db2.gz LHGPSHSNVZUMOJ-UHFFFAOYSA-N 0 0 388.492 4.534 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1 ZINC000001184197 570256223 /nfs/dbraw/zinc/25/62/23/570256223.db2.gz NWMZTGJVJAQHGG-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001184267 570256242 /nfs/dbraw/zinc/25/62/42/570256242.db2.gz VGRGUIKGCUDYME-UHFFFAOYSA-N 0 0 379.803 4.561 50 0 GJAARN Brc1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 ZINC000001195060 570257277 /nfs/dbraw/zinc/25/72/77/570257277.db2.gz VYCFOVWEBMKFIY-UHFFFAOYSA-N 0 0 380.039 4.929 50 0 GJAARN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000001234473 570259587 /nfs/dbraw/zinc/25/95/87/570259587.db2.gz BHRFLJHKYPUOJM-UHFFFAOYSA-N 0 0 379.437 4.898 50 0 GJAARN O=C(NCc1cccc(Cl)c1)c1ccccc1C(=O)c1ccc2c(c1)CCC2 ZINC000001399537 570261929 /nfs/dbraw/zinc/26/19/29/570261929.db2.gz LAEITECNPUBWDE-UHFFFAOYSA-N 0 0 389.882 4.990 50 0 GJAARN Cc1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000043037417 570262056 /nfs/dbraw/zinc/26/20/56/570262056.db2.gz BWJSFLQCQPPZPH-MSOLQXFVSA-N 0 0 378.472 4.618 50 0 GJAARN COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001411723 570262407 /nfs/dbraw/zinc/26/24/07/570262407.db2.gz KQJAVJBCVVTVOC-UHFFFAOYSA-N 0 0 376.368 4.539 50 0 GJAARN O=C1[C@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1 ZINC000001437057 570263132 /nfs/dbraw/zinc/26/31/32/570263132.db2.gz GFBAPUHTSGRVHK-ZBFHGGJFSA-N 0 0 395.336 4.741 50 0 GJAARN Cc1cccc(Cl)c1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 ZINC000098211361 570263896 /nfs/dbraw/zinc/26/38/96/570263896.db2.gz NSLTWKAVINBGPB-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN COc1ccc([C@@H]2N3CCC[C@H]3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000085988088 570264391 /nfs/dbraw/zinc/26/43/91/570264391.db2.gz UJAGDNHRYPBPLC-ZWKOTPCHSA-N 0 0 377.271 4.512 50 0 GJAARN CCOc1ccc(/C=C2/NCCc3cc(OCC)c(OCC)cc32)cc1OCC ZINC000100042629 570265445 /nfs/dbraw/zinc/26/54/45/570265445.db2.gz OMFNSKIUKYOYRG-DEDYPNTBSA-N 0 0 397.515 4.925 50 0 world GJAARN COc1ccc([C@H]2CCCCCN2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012851742 570266271 /nfs/dbraw/zinc/26/62/71/570266271.db2.gz SQYFUXLLUVNUBI-HXUWFJFHSA-N 0 0 397.906 4.702 50 0 GJAARN O=C(c1ccc2c(c1)CCCC2)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049431190 570268249 /nfs/dbraw/zinc/26/82/49/570268249.db2.gz QQMSLDLHGAZRAL-UHFFFAOYSA-N 0 0 392.524 4.859 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000001800702 570268654 /nfs/dbraw/zinc/26/86/54/570268654.db2.gz SUWJUMAIKCPDNX-UHFFFAOYSA-N 0 0 389.451 4.938 50 0 GJAARN COc1ccccc1-c1cc(C(F)F)c2c(=O)[nH]c(=S)n(C(C)C)c2n1 ZINC000020603949 570270663 /nfs/dbraw/zinc/27/06/63/570270663.db2.gz LVHTVAGYXBMJQM-UHFFFAOYSA-N 0 0 377.416 4.648 50 0 GJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc(F)cc1 ZINC000023322267 570270925 /nfs/dbraw/zinc/27/09/25/570270925.db2.gz NGFDDOCJHVOLGG-UHFFFAOYSA-N 0 0 383.444 4.907 50 0 GJAARN CCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000020606427 570271286 /nfs/dbraw/zinc/27/12/86/570271286.db2.gz ZQXVPTSRLKVSNJ-JOCHJYFZSA-N 0 0 395.478 4.773 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1C1CC1 ZINC000006128919 570272399 /nfs/dbraw/zinc/27/23/99/570272399.db2.gz LNPHYQBHLKMISQ-UHFFFAOYSA-N 0 0 392.528 4.873 50 0 GJAARN Cc1cccc(NC(=O)c2ccn([C@H](C)C(=O)Nc3cccc(C)c3C)n2)c1C ZINC000020617549 570272829 /nfs/dbraw/zinc/27/28/29/570272829.db2.gz TXIITTGVUBWMQQ-GOSISDBHSA-N 0 0 390.487 4.569 50 0 GJAARN CC[C@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(OC)cc1 ZINC000020616974 570273006 /nfs/dbraw/zinc/27/30/06/570273006.db2.gz KMMJELRTIXINAW-ZDUSSCGKSA-N 0 0 397.422 4.543 50 0 GJAARN CCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC ZINC000002081641 570273682 /nfs/dbraw/zinc/27/36/82/570273682.db2.gz HGJZFVNVRGOLJW-YBEGLDIGSA-N 0 0 389.810 4.621 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1cccs1 ZINC000005175792 570275809 /nfs/dbraw/zinc/27/58/09/570275809.db2.gz GGPXEJFOAULABV-GOSISDBHSA-N 0 0 379.481 4.623 50 0 GJAARN COC(=O)c1ccc(COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)o1 ZINC000000630401 570278289 /nfs/dbraw/zinc/27/82/89/570278289.db2.gz BOMHMJQICPSPKK-UHFFFAOYSA-N 0 0 390.391 4.727 50 0 biogenic GJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)c1ccccc1Cl ZINC000002190824 570278439 /nfs/dbraw/zinc/27/84/39/570278439.db2.gz AQAGQNSJOLUGDC-UHFFFAOYSA-N 0 0 379.843 4.807 50 0 GJAARN Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 ZINC000002198935 570278844 /nfs/dbraw/zinc/27/88/44/570278844.db2.gz ZBGDDZZNEXOKPU-MRXNPFEDSA-N 0 0 391.858 4.603 50 0 GJAARN CCOCCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn21 ZINC000006748668 570281929 /nfs/dbraw/zinc/28/19/29/570281929.db2.gz BYJROPUHXKWHDX-UHFFFAOYSA-N 0 0 393.512 4.681 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012881232 570282786 /nfs/dbraw/zinc/28/27/86/570282786.db2.gz MDWUSBDCJZLFRO-UHFFFAOYSA-N 0 0 395.890 4.727 50 0 GJAARN COc1ccc2c(CCNC(=O)C(c3ccccc3)c3ccccc3)c[nH]c2c1 ZINC000002332530 570282943 /nfs/dbraw/zinc/28/29/43/570282943.db2.gz RDQHQUHBPUPILH-UHFFFAOYSA-N 0 0 384.479 4.667 50 0 GJAARN CCCOc1cccc(-c2nnc(NC(=O)Nc3ccccc3OC)s2)c1 ZINC000002335352 570283318 /nfs/dbraw/zinc/28/33/18/570283318.db2.gz DBCUOYMFTQXWJU-UHFFFAOYSA-N 0 0 384.461 4.647 50 0 GJAARN Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 ZINC000006788684 570284041 /nfs/dbraw/zinc/28/40/41/570284041.db2.gz VXAYEZNWZKIWLJ-UHFFFAOYSA-N 0 0 382.876 4.592 50 0 GJAARN Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000015883049 570284355 /nfs/dbraw/zinc/28/43/55/570284355.db2.gz ZKAHNKYPTRIAFU-UHFFFAOYSA-N 0 0 384.838 4.558 50 0 GJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cccc(F)c3)c12 ZINC000012884903 570284761 /nfs/dbraw/zinc/28/47/61/570284761.db2.gz MPEVBOGVFDGEMB-UHFFFAOYSA-N 0 0 393.393 4.749 50 0 GJAARN O=C(N[C@@H](Nc1ccc2ccccc2c1)C(=O)c1ccccc1)c1cccs1 ZINC000000655670 570284913 /nfs/dbraw/zinc/28/49/13/570284913.db2.gz IBMISQLAQVJSNZ-JOCHJYFZSA-N 0 0 386.476 4.952 50 0 GJAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 ZINC000012890078 570285911 /nfs/dbraw/zinc/28/59/11/570285911.db2.gz MDCXAUWZPCLMIN-UHFFFAOYSA-N 0 0 385.769 4.701 50 0 GJAARN Clc1ccc(-c2noc(CN3CCC(c4nc5ccccc5o4)CC3)n2)cc1 ZINC000012893311 570286152 /nfs/dbraw/zinc/28/61/52/570286152.db2.gz WUCVYBIQWACENC-UHFFFAOYSA-N 0 0 394.862 4.911 50 0 GJAARN CCc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000014077531 570287542 /nfs/dbraw/zinc/28/75/42/570287542.db2.gz PTPKXUPEICOWBN-HNNXBMFYSA-N 0 0 392.528 4.826 50 0 GJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000000666436 570288068 /nfs/dbraw/zinc/28/80/68/570288068.db2.gz JQQGLZNVRFWXNK-OAQYLSRUSA-N 0 0 384.435 4.715 50 0 GJAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3Cl)c2C(N)=O)C1 ZINC000014093866 570289308 /nfs/dbraw/zinc/28/93/08/570289308.db2.gz BNJZKIUISBOQNW-MRVPVSSYSA-N 0 0 383.300 4.531 50 0 GJAARN Cc1ccc(N2C(=O)N(Cc3cc4ccccc4nc3Cl)C(=O)[C@H]2C)cc1 ZINC000021235875 570289379 /nfs/dbraw/zinc/28/93/79/570289379.db2.gz DKDADIZBFXVFGU-CQSZACIVSA-N 0 0 379.847 4.554 50 0 GJAARN Cc1cccc([C@@H](CCO)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000002535310 570290317 /nfs/dbraw/zinc/29/03/17/570290317.db2.gz YFZBPLJXYWECDV-XMMPIXPASA-N 0 0 387.479 4.957 50 0 GJAARN CC(C)c1ccc(C2=N/C(=C/c3ccc(Br)s3)C(=O)O2)cc1 ZINC000000678670 570290403 /nfs/dbraw/zinc/29/04/03/570290403.db2.gz IXPNRLUVCYOLKB-NTEUORMPSA-N 0 0 376.275 4.979 50 0 GJAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccccc2)cc1 ZINC000021464860 570291262 /nfs/dbraw/zinc/29/12/62/570291262.db2.gz YVZYCFVLVUXOGU-UHFFFAOYSA-N 0 0 388.492 4.746 50 0 GJAARN O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccccc1F ZINC000000686527 570291771 /nfs/dbraw/zinc/29/17/71/570291771.db2.gz CYGVVHRMNYYVFR-WQRHYEAKSA-N 0 0 396.805 4.832 50 0 GJAARN CCCCN(Cc1cc2ccccc2o1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000002595839 570291901 /nfs/dbraw/zinc/29/19/01/570291901.db2.gz JCLKDFNBNRUZRQ-UHFFFAOYSA-N 0 0 387.501 4.823 50 0 GJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cnc2ccccc2c1)CCCCC3 ZINC000000691697 570292049 /nfs/dbraw/zinc/29/20/49/570292049.db2.gz RUJCECXEDXMQNR-UHFFFAOYSA-N 0 0 388.496 4.948 50 0 GJAARN Cc1cc(C(=O)COc2ccc(Br)cc2)c(C)n1-c1nccs1 ZINC000012918957 570293389 /nfs/dbraw/zinc/29/33/89/570293389.db2.gz QBZHUAMSURDBRK-UHFFFAOYSA-N 0 0 391.290 4.575 50 0 GJAARN CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000021791941 570295883 /nfs/dbraw/zinc/29/58/83/570295883.db2.gz CTCRVSDYIFMUTC-IBGZPJMESA-N 0 0 386.879 4.815 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)Oc3ccccc3Br)no2)cc1 ZINC000021786644 570295985 /nfs/dbraw/zinc/29/59/85/570295985.db2.gz WUWVYVMOMPLVSE-UHFFFAOYSA-N 0 0 388.217 4.722 50 0 GJAARN COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000216139287 570296505 /nfs/dbraw/zinc/29/65/05/570296505.db2.gz DZKNTBXSTVCOGQ-UGKGYDQZSA-N 0 0 391.858 4.986 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000000707632 570297400 /nfs/dbraw/zinc/29/74/00/570297400.db2.gz CQFQPTFAKDMWCC-UHFFFAOYSA-N 0 0 380.149 4.910 50 0 GJAARN CC[C@H](C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1)c1ccccc1 ZINC000005240093 570298541 /nfs/dbraw/zinc/29/85/41/570298541.db2.gz ZTIBLBQMBZBYPE-NRFANRHFSA-N 0 0 397.478 4.826 50 0 GJAARN CCCCCOc1ccc([C@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000015942315 570298620 /nfs/dbraw/zinc/29/86/20/570298620.db2.gz PATRGQJCCXOKSK-DQEYMECFSA-N 0 0 397.559 4.579 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000002764164 570299514 /nfs/dbraw/zinc/29/95/14/570299514.db2.gz PNQPJPVIFWUZFK-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN CCCc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 ZINC000000716813 570303057 /nfs/dbraw/zinc/30/30/57/570303057.db2.gz NSSUZANATSNUPY-UHFFFAOYSA-N 0 0 375.291 4.825 50 0 GJAARN COCc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1 ZINC000000719844 570303454 /nfs/dbraw/zinc/30/34/54/570303454.db2.gz BZVFVXRYRYQKRQ-UHFFFAOYSA-N 0 0 381.284 4.871 50 0 GJAARN CCNC(=O)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 ZINC000034712019 570303479 /nfs/dbraw/zinc/30/34/79/570303479.db2.gz SGMKOKDHVPHPPU-UHFFFAOYSA-N 0 0 390.867 4.931 50 0 GJAARN COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1ccccc1 ZINC000034712282 570303503 /nfs/dbraw/zinc/30/35/03/570303503.db2.gz GJDZABXTMLICPK-UHFFFAOYSA-N 0 0 382.485 4.536 50 0 GJAARN CC(C)CNC(=O)c1csc(-c2cccc(OCc3ccc(F)cc3)c2)n1 ZINC000034712729 570303728 /nfs/dbraw/zinc/30/37/28/570303728.db2.gz HJRSNAGIIZWBBL-UHFFFAOYSA-N 0 0 384.476 4.914 50 0 GJAARN CCCOc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000002844635 570307615 /nfs/dbraw/zinc/30/76/15/570307615.db2.gz FDGSUUUYWDOTRU-VBKFSLOCSA-N 0 0 386.245 4.582 50 0 GJAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000002848347 570307978 /nfs/dbraw/zinc/30/79/78/570307978.db2.gz ZWBCRANTIKRLPV-UHFFFAOYSA-N 0 0 386.373 4.892 50 0 GJAARN Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1-c1cc2ccccc2oc1=O ZINC000002856039 570309878 /nfs/dbraw/zinc/30/98/78/570309878.db2.gz JAJAWCZLUHNFRP-UHFFFAOYSA-N 0 0 399.402 4.749 50 0 GJAARN COc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1Cl ZINC000002861874 570311673 /nfs/dbraw/zinc/31/16/73/570311673.db2.gz ZYPVXONYKJSPPT-UHFFFAOYSA-N 0 0 386.698 4.842 50 0 GJAARN CC(C)n1nccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000022289868 570312291 /nfs/dbraw/zinc/31/22/91/570312291.db2.gz AADNLGQYYDGAGA-UHFFFAOYSA-N 0 0 388.475 4.709 50 0 GJAARN COc1cc(N)c(Cl)cc1C(=O)OCc1cc2ccc(C)cc2nc1Cl ZINC000012938818 570313158 /nfs/dbraw/zinc/31/31/58/570313158.db2.gz RLDSMRDJQSPEGM-UHFFFAOYSA-N 0 0 391.254 4.798 50 0 GJAARN COC(=O)c1ccc(C)c(NC(=O)c2sc3cc(OC)ccc3c2Cl)c1 ZINC000002872719 570314106 /nfs/dbraw/zinc/31/41/06/570314106.db2.gz DVCQGFBZHBTTRN-UHFFFAOYSA-N 0 0 389.860 4.911 50 0 GJAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1 ZINC000002874606 570314414 /nfs/dbraw/zinc/31/44/14/570314414.db2.gz BMUWSFTUTHJQBY-UHFFFAOYSA-N 0 0 389.411 4.631 50 0 GJAARN Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)Nc1ccccn1 ZINC000012324589 570315093 /nfs/dbraw/zinc/31/50/93/570315093.db2.gz ZUMZBULXQCDQNT-UHFFFAOYSA-N 0 0 379.363 4.664 50 0 GJAARN CCC1=Nc2cc(C(=O)NC[C@H]3CCCO3)ccc2Sc2ccc(C)cc21 ZINC000006185481 570316882 /nfs/dbraw/zinc/31/68/82/570316882.db2.gz OZBZTFRTERAWIZ-MRXNPFEDSA-N 0 0 380.513 4.899 50 0 GJAARN COc1ccc(-n2ncc3c2ncnc3Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000000756735 570317035 /nfs/dbraw/zinc/31/70/35/570317035.db2.gz DKVDPNNAZHJUCH-UHFFFAOYSA-N 0 0 386.242 4.875 50 0 GJAARN CC1=C[C@@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C ZINC000000758963 570317832 /nfs/dbraw/zinc/31/78/32/570317832.db2.gz HNJMMPWWHNRBHV-FFNHNOQQSA-N 0 0 397.559 4.622 50 0 biogenic GJAARN CCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1)Nc1ccccc1-2 ZINC000002911533 570318067 /nfs/dbraw/zinc/31/80/67/570318067.db2.gz ORDPNEDADAPPNE-GOSISDBHSA-N 0 0 380.473 4.552 50 0 GJAARN O=C(CCC(=O)c1cccs1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000016180510 570319328 /nfs/dbraw/zinc/31/93/28/570319328.db2.gz HRQSSPMRWNESNX-UHFFFAOYSA-N 0 0 383.444 4.959 50 0 GJAARN Cc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000014611188 570320015 /nfs/dbraw/zinc/32/00/15/570320015.db2.gz WDJIECFIIDJHJW-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN Cc1cccc(COc2cccc(-c3nc(C(=O)NCC4CC4)cs3)c2)c1 ZINC000034717402 570320537 /nfs/dbraw/zinc/32/05/37/570320537.db2.gz HOUZMIIPFYPQBV-UHFFFAOYSA-N 0 0 378.497 4.837 50 0 GJAARN Cc1ccc(C[C@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@H]2C)cc1 ZINC000100174030 570320985 /nfs/dbraw/zinc/32/09/85/570320985.db2.gz PRZOYCUDJDYFQE-JVJUCQNHSA-N 0 0 379.544 4.765 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)CCCSc1ccccc1)c1ccc(Cl)cc1 ZINC000016262021 570321439 /nfs/dbraw/zinc/32/14/39/570321439.db2.gz KDANPRFTTFRKER-HXUWFJFHSA-N 0 0 399.947 4.852 50 0 GJAARN CCCCc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 ZINC000002978472 570321463 /nfs/dbraw/zinc/32/14/63/570321463.db2.gz NYUJPOUTFYTJMJ-UHFFFAOYSA-N 0 0 391.334 4.919 50 0 GJAARN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000023334913 570321745 /nfs/dbraw/zinc/32/17/45/570321745.db2.gz NRHCEAIFXQEIBE-UHFFFAOYSA-N 0 0 383.451 4.682 50 0 GJAARN COc1cc(C=O)ccc1OCCCOc1ccc(Cl)cc1Br ZINC000002985651 570323059 /nfs/dbraw/zinc/32/30/59/570323059.db2.gz NHDFWWKXJBFGIK-UHFFFAOYSA-N 0 0 399.668 4.772 50 0 GJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010546310 570324590 /nfs/dbraw/zinc/32/45/90/570324590.db2.gz ZXPSHKLPOOZMKR-MRXNPFEDSA-N 0 0 389.430 4.982 50 0 GJAARN CCc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)c1 ZINC000035319243 570325575 /nfs/dbraw/zinc/32/55/75/570325575.db2.gz LTPCBTIQNKOLNR-LJQANCHMSA-N 0 0 392.459 4.677 50 0 GJAARN CCOc1ccc(Nc2nc(N)c(C(=O)c3c[nH]c4ccccc43)s2)cc1 ZINC000032947372 570325964 /nfs/dbraw/zinc/32/59/64/570325964.db2.gz FMHCWHSUMQFFCA-UHFFFAOYSA-N 0 0 378.457 4.580 50 0 GJAARN O=C(Nc1cccc(N2CCCN(Cc3cc(F)ccc3F)C2=O)c1)C1CCC1 ZINC000034735430 570327878 /nfs/dbraw/zinc/32/78/78/570327878.db2.gz HXZDCDQGTJINQA-UHFFFAOYSA-N 0 0 399.441 4.536 50 0 GJAARN Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)C(C)C)C2=O)c1 ZINC000034735256 570327961 /nfs/dbraw/zinc/32/79/61/570327961.db2.gz QEJBOHMLFCCLIJ-UHFFFAOYSA-N 0 0 379.504 4.730 50 0 GJAARN Cc1n[nH]c(C)c1CCCCCCOc1ccc(I)cc1 ZINC000003106053 570328711 /nfs/dbraw/zinc/32/87/11/570328711.db2.gz PISMNBCJRYKHSS-UHFFFAOYSA-N 0 0 398.288 4.813 50 0 GJAARN O=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)Nc1ccc(Cl)cc1 ZINC000003105978 570328723 /nfs/dbraw/zinc/32/87/23/570328723.db2.gz DATXOCUHTOLDJB-UHFFFAOYSA-N 0 0 385.074 4.878 50 0 GJAARN CCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)cc1 ZINC000023643430 570329279 /nfs/dbraw/zinc/32/92/79/570329279.db2.gz DVDZFOKWDNRZBF-UHFFFAOYSA-N 0 0 378.447 4.994 50 0 GJAARN CCSc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 ZINC000575611890 570335688 /nfs/dbraw/zinc/33/56/88/570335688.db2.gz ZVAKWQZYQFSXPV-IBGZPJMESA-N 0 0 383.538 4.991 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2F)cc1OC ZINC000034793943 570336611 /nfs/dbraw/zinc/33/66/11/570336611.db2.gz PGVCNTMPVSVAKF-UHFFFAOYSA-N 0 0 397.450 4.684 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(F)c2)cc1OC ZINC000034793945 570336659 /nfs/dbraw/zinc/33/66/59/570336659.db2.gz DSXKMJLVARTVDT-UHFFFAOYSA-N 0 0 397.450 4.684 50 0 GJAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 ZINC000007548147 570336931 /nfs/dbraw/zinc/33/69/31/570336931.db2.gz AKNYVJWPXMJSSF-UHFFFAOYSA-N 0 0 378.497 4.812 50 0 GJAARN CC[C@H](C(=O)Nc1c(C)[nH]nc1CCc1ccc(OC)cc1)c1ccccc1 ZINC000034795166 570337445 /nfs/dbraw/zinc/33/74/45/570337445.db2.gz MVQMDCQZWWFEMB-FQEVSTJZSA-N 0 0 377.488 4.644 50 0 GJAARN CC(C)(C)C(=O)NC1CCN(c2nc3ccccc3n2C2CCCCC2)CC1 ZINC000034907138 570339467 /nfs/dbraw/zinc/33/94/67/570339467.db2.gz YEPJVNMQOARWBE-UHFFFAOYSA-N 0 0 382.552 4.673 50 0 GJAARN O=C(NC1CCCCC1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906670 570339489 /nfs/dbraw/zinc/33/94/89/570339489.db2.gz FRFSUAATWMRNIU-SFHVURJKSA-N 0 0 394.563 4.817 50 0 GJAARN COc1ccccc1[C@@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000022990546 570339908 /nfs/dbraw/zinc/33/99/08/570339908.db2.gz PHTOAVBENUYXFF-GFCCVEGCSA-N 0 0 381.501 4.685 50 0 GJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCc3sccc3[C@H]2C)o1 ZINC000023967963 570340315 /nfs/dbraw/zinc/34/03/15/570340315.db2.gz RYALUVDKTMIJBS-CYBMUJFWSA-N 0 0 392.484 4.881 50 0 GJAARN O=C(NCc1ccccc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000023042871 570341572 /nfs/dbraw/zinc/34/15/72/570341572.db2.gz DSRCCQFSCVBQSM-UHFFFAOYSA-N 0 0 385.442 4.668 50 0 GJAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000011694517 570342874 /nfs/dbraw/zinc/34/28/74/570342874.db2.gz DZDXTQCZNFDYGW-CYBMUJFWSA-N 0 0 381.432 4.608 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 ZINC000006218324 570343064 /nfs/dbraw/zinc/34/30/64/570343064.db2.gz ZJPZBLJXORFNCT-UHFFFAOYSA-N 0 0 396.424 4.933 50 0 GJAARN CCn1nc(C(=O)NCCc2cccs2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902056 570343673 /nfs/dbraw/zinc/34/36/73/570343673.db2.gz GGNNITYIUYXSDB-UHFFFAOYSA-N 0 0 381.545 4.902 50 0 GJAARN CCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)Nc1cccc(Cl)c1 ZINC000034902588 570343999 /nfs/dbraw/zinc/34/39/99/570343999.db2.gz ARWGVKJNNKJUKO-UHFFFAOYSA-N 0 0 399.878 4.883 50 0 GJAARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)COc2ccc(Cl)cc2)o1 ZINC000034914881 570344028 /nfs/dbraw/zinc/34/40/28/570344028.db2.gz BKGLKPILOZWQHN-UHFFFAOYSA-N 0 0 395.846 4.882 50 0 GJAARN O=C(Nc1ccccc1F)N[C@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000032949052 570344219 /nfs/dbraw/zinc/34/42/19/570344219.db2.gz NOJDWJDVIQVRAC-GOSISDBHSA-N 0 0 392.430 4.530 50 0 GJAARN COc1cc(C(=O)Nc2ccnn2Cc2ccccc2)cc(Cl)c1OC(C)C ZINC000023141935 570346218 /nfs/dbraw/zinc/34/62/18/570346218.db2.gz WODDWZYSZMEAPJ-UHFFFAOYSA-N 0 0 399.878 4.633 50 0 GJAARN COc1ccc2oc(-c3csc(NC(=O)c4ccccc4OC)n3)cc2c1 ZINC000010883170 570346226 /nfs/dbraw/zinc/34/62/26/570346226.db2.gz NBRUGPPAWNAKOT-UHFFFAOYSA-N 0 0 380.425 4.826 50 0 GJAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1ccc(F)cc1 ZINC000034912656 570346266 /nfs/dbraw/zinc/34/62/66/570346266.db2.gz LVMWTKSRDNSUOI-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN COc1cccc(-c2nc3ccccn3c2NC(=O)CSc2ccccc2)c1 ZINC000034913386 570347113 /nfs/dbraw/zinc/34/71/13/570347113.db2.gz VJLKHYAOWXRRKX-UHFFFAOYSA-N 0 0 389.480 4.741 50 0 GJAARN O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000003612665 570348999 /nfs/dbraw/zinc/34/89/99/570348999.db2.gz RPZUSTILCGJDPP-UHFFFAOYSA-N 0 0 377.918 4.564 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399386 570349583 /nfs/dbraw/zinc/34/95/83/570349583.db2.gz RSGVTIIZPKYPGK-UHFFFAOYSA-N 0 0 377.875 4.688 50 0 biogenic GJAARN Cc1cccc(NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)c1 ZINC000035398396 570349670 /nfs/dbraw/zinc/34/96/70/570349670.db2.gz JLUNXIBRBVIHIN-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN O=C(CCC1CCCC1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399463 570350116 /nfs/dbraw/zinc/35/01/16/570350116.db2.gz QUMIQHDMLONMOR-UHFFFAOYSA-N 0 0 381.495 4.830 50 0 biogenic GJAARN O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1cccc(F)c1 ZINC000035400187 570350267 /nfs/dbraw/zinc/35/02/67/570350267.db2.gz RMJCLDGGSLKHMA-UHFFFAOYSA-N 0 0 383.426 4.587 50 0 GJAARN CCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OC(C)C)cc1 ZINC000006265237 570353569 /nfs/dbraw/zinc/35/35/69/570353569.db2.gz LDAJRIAODYMKGN-FZKQIMNGSA-N 0 0 389.521 4.749 50 0 GJAARN COc1cccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 ZINC000004885499 570355261 /nfs/dbraw/zinc/35/52/61/570355261.db2.gz JQEAOIRPSBJOBV-UHFFFAOYSA-N 0 0 385.895 4.574 50 0 GJAARN CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000004133542 570358987 /nfs/dbraw/zinc/35/89/87/570358987.db2.gz ICEKADLMYDOOAN-IGGJQXEISA-N 0 0 397.302 4.695 50 0 GJAARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1Cl ZINC000024931514 570359364 /nfs/dbraw/zinc/35/93/64/570359364.db2.gz BDNJQLVLRITCGA-LJQANCHMSA-N 0 0 383.854 4.531 50 0 GJAARN CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2ccsc2)cc1 ZINC000575617948 570361903 /nfs/dbraw/zinc/36/19/03/570361903.db2.gz BIVRKFGMOCEWHE-UHFFFAOYSA-N 0 0 383.542 4.565 50 0 GJAARN O=C1c2ccccc2[C@H](Nc2ccccc2Br)N1Cc1ccco1 ZINC000004914546 570363941 /nfs/dbraw/zinc/36/39/41/570363941.db2.gz RRKCAKSPFZJHGL-GOSISDBHSA-N 0 0 383.245 4.809 50 0 GJAARN CCCCn1c(CN2CCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000035476080 570365450 /nfs/dbraw/zinc/36/54/50/570365450.db2.gz SWLKPZIYAFMADW-UHFFFAOYSA-N 0 0 382.552 4.951 50 0 GJAARN Cc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000035475949 570365636 /nfs/dbraw/zinc/36/56/36/570365636.db2.gz ZNYZTJLSHHSFHN-UHFFFAOYSA-N 0 0 399.538 4.888 50 0 biogenic GJAARN CC(C)(C)c1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000004299515 570365963 /nfs/dbraw/zinc/36/59/63/570365963.db2.gz LNHFNUMBVNEEHU-UHFFFAOYSA-N 0 0 383.511 4.863 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)c2cccc(OC(F)F)c2)cc1OCC ZINC000006309258 570367656 /nfs/dbraw/zinc/36/76/56/570367656.db2.gz JGJRIGFLIVJVMT-ZDUSSCGKSA-N 0 0 379.403 4.576 50 0 GJAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)ccc21 ZINC000023655612 570368685 /nfs/dbraw/zinc/36/86/85/570368685.db2.gz LHVJEVALUFMUIL-UHFFFAOYSA-N 0 0 389.893 4.542 50 0 GJAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(C(F)(F)F)nc1 ZINC000575620207 570368971 /nfs/dbraw/zinc/36/89/71/570368971.db2.gz OTXBOEOEEZWDBJ-UHFFFAOYSA-N 0 0 386.377 4.553 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1oc2ccccc2c1COC ZINC000023686283 570369186 /nfs/dbraw/zinc/36/91/86/570369186.db2.gz JUYQXYPGWOCKIY-UHFFFAOYSA-N 0 0 387.457 4.632 50 0 GJAARN O=C(NCc1nccnc1-c1ccsc1)c1ccc(-c2cccs2)cc1 ZINC000575621172 570370833 /nfs/dbraw/zinc/37/08/33/570370833.db2.gz YSDGJTQOUWPEPK-UHFFFAOYSA-N 0 0 377.494 4.864 50 0 GJAARN Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NC3CCCC3)C2=O)cc1 ZINC000004932842 570372345 /nfs/dbraw/zinc/37/23/45/570372345.db2.gz LISPCDUTGQKCEN-KGENOOAVSA-N 0 0 392.524 4.534 50 0 GJAARN COCc1cc(C)nc2sc(C(=O)Nc3c(Cl)cccc3Cl)c(N)c21 ZINC000004932013 570373049 /nfs/dbraw/zinc/37/30/49/570373049.db2.gz PWLCJPKBGJGNCR-UHFFFAOYSA-N 0 0 396.299 4.892 50 0 GJAARN C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000023864456 570374121 /nfs/dbraw/zinc/37/41/21/570374121.db2.gz PSPZKFZIQCFSML-SECBINFHSA-N 0 0 386.757 4.527 50 0 GJAARN O=c1[nH]c(CN2CCC[C@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 ZINC000023883116 570374859 /nfs/dbraw/zinc/37/48/59/570374859.db2.gz OLITVBRYUFPJKJ-INIZCTEOSA-N 0 0 396.903 4.523 50 0 GJAARN Cc1ccc(-n2cnnc2S[C@H](C)c2nc(C(C)(C)C)no2)cc1Cl ZINC000024046351 570377923 /nfs/dbraw/zinc/37/79/23/570377923.db2.gz IFLWSLOEZYCMNV-LLVKDONJSA-N 0 0 377.901 4.763 50 0 GJAARN Cc1nnc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)o1 ZINC000024073825 570378212 /nfs/dbraw/zinc/37/82/12/570378212.db2.gz WQUYUDNKHCXRNY-UHFFFAOYSA-N 0 0 393.226 4.621 50 0 GJAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)cc1 ZINC000024101391 570378837 /nfs/dbraw/zinc/37/88/37/570378837.db2.gz CFRUNZDOJJEVDC-UHFFFAOYSA-N 0 0 380.469 4.742 50 0 GJAARN CC(C)OC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000000829546 570378841 /nfs/dbraw/zinc/37/88/41/570378841.db2.gz RIRVKLOSUNROEJ-UHFFFAOYSA-N 0 0 389.786 4.695 50 0 GJAARN O=C(c1ccccc1)c1ccc2c3c1cccc3C(=O)N(Nc1ccccc1)C2=O ZINC000000829901 570378936 /nfs/dbraw/zinc/37/89/36/570378936.db2.gz MHNURGOEZGIGCT-UHFFFAOYSA-N 0 0 392.414 4.694 50 0 GJAARN Cc1cc(Cl)cc2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc21 ZINC000022890514 570378978 /nfs/dbraw/zinc/37/89/78/570378978.db2.gz SVRLGUUYZATGJT-HNNXBMFYSA-N 0 0 378.925 4.960 50 0 GJAARN CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2)n(C)c1=S ZINC000024177801 570380075 /nfs/dbraw/zinc/38/00/75/570380075.db2.gz SGLXDGZTCXQGLH-UHFFFAOYSA-N 0 0 378.954 4.813 50 0 GJAARN N=c1sccn1CC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000135713438 570381783 /nfs/dbraw/zinc/38/17/83/570381783.db2.gz CUUYXMMKWUAIHQ-UHFFFAOYSA-N 0 0 398.557 4.839 50 0 GJAARN Cc1oc(C(C)C)cc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000220235852 570383830 /nfs/dbraw/zinc/38/38/30/570383830.db2.gz HKGGKTKMEXBMOM-QRFVXNFXSA-N 0 0 378.472 4.502 50 0 GJAARN Cc1sc(NC(=O)[C@H](C)n2cnc3ccccc32)nc1-c1ccc(F)c(F)c1 ZINC000031835576 570386481 /nfs/dbraw/zinc/38/64/81/570386481.db2.gz IPPOCYNXHZFRCE-NSHDSACASA-N 0 0 398.438 4.946 50 0 GJAARN O=C(c1ccc(Cl)o1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000024592897 570387150 /nfs/dbraw/zinc/38/71/50/570387150.db2.gz KFSCNCBRYGWRII-UHFFFAOYSA-N 0 0 375.833 4.613 50 0 GJAARN Cn1cc(-c2ccccc2)nc1SCC(=O)c1ccc(Br)s1 ZINC000004632179 570389075 /nfs/dbraw/zinc/38/90/75/570389075.db2.gz JZLRLXQXWAMRQQ-UHFFFAOYSA-N 0 0 393.331 4.886 50 0 GJAARN CCOc1ccccc1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000004992420 570390842 /nfs/dbraw/zinc/39/08/42/570390842.db2.gz CFDHNYJIJLPSDW-UHFFFAOYSA-N 0 0 378.472 4.626 50 0 GJAARN COc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1Cl ZINC000024745940 570390922 /nfs/dbraw/zinc/39/09/22/570390922.db2.gz KTHMPSXGTNSRFQ-UHFFFAOYSA-N 0 0 392.839 4.776 50 0 GJAARN CCOc1ccc(-n2ccnc(SCc3ccc(F)cc3Cl)c2=O)cc1 ZINC000012361017 570391491 /nfs/dbraw/zinc/39/14/91/570391491.db2.gz ZXTNGOPFOCQESX-UHFFFAOYSA-N 0 0 390.867 4.716 50 0 GJAARN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Br)cc1 ZINC000035539734 570391767 /nfs/dbraw/zinc/39/17/67/570391767.db2.gz AVRLWRMXHKNXLL-UHFFFAOYSA-N 0 0 384.233 4.629 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c2)no1 ZINC000035539493 570391973 /nfs/dbraw/zinc/39/19/73/570391973.db2.gz WGVNCOXUEITZEF-UHFFFAOYSA-N 0 0 398.422 4.550 50 0 GJAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)NCCC1=CCCCC1 ZINC000004997122 570392521 /nfs/dbraw/zinc/39/25/21/570392521.db2.gz UXJWIOVUANSLSI-CQSZACIVSA-N 0 0 396.516 4.705 50 0 GJAARN O=C(NCCc1cccs1)c1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000024775198 570392998 /nfs/dbraw/zinc/39/29/98/570392998.db2.gz NWQWXHDYNNSASQ-UHFFFAOYSA-N 0 0 387.508 4.632 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000035528984 570393496 /nfs/dbraw/zinc/39/34/96/570393496.db2.gz BXGQTWBBGVEHRD-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN CCCCn1c2nnc(SCc3cccc(C)c3)n2c2ccsc2c1=O ZINC000035529091 570393526 /nfs/dbraw/zinc/39/35/26/570393526.db2.gz KUSIVAHOTQHAOJ-UHFFFAOYSA-N 0 0 384.530 4.507 50 0 GJAARN CCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000005003014 570393561 /nfs/dbraw/zinc/39/35/61/570393561.db2.gz LBNWXQNVWOOOEP-LICLKQGHSA-N 0 0 398.462 4.963 50 0 GJAARN CCN(CC)C(=O)c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000006331216 570393750 /nfs/dbraw/zinc/39/37/50/570393750.db2.gz YSRQPFHDHCVGMJ-UHFFFAOYSA-N 0 0 379.287 4.657 50 0 GJAARN CC(=O)N(c1nc(CN2CCCc3ccccc32)cs1)c1ccccc1F ZINC000032819270 570394467 /nfs/dbraw/zinc/39/44/67/570394467.db2.gz AQKNLSRPENRSLA-UHFFFAOYSA-N 0 0 381.476 4.920 50 0 GJAARN CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc1 ZINC000005005959 570394536 /nfs/dbraw/zinc/39/45/36/570394536.db2.gz NKCDKQOAOAIFEY-UHFFFAOYSA-N 0 0 378.472 4.626 50 0 GJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)CCC)cc1 ZINC000004700580 570394719 /nfs/dbraw/zinc/39/47/19/570394719.db2.gz OIURDBHELOYLOL-KRWDZBQOSA-N 0 0 382.570 4.652 50 0 GJAARN CCOc1ccc(OCCCOc2ccc(I)cc2)cc1 ZINC000004701933 570394879 /nfs/dbraw/zinc/39/48/79/570394879.db2.gz IPJWDCDVOIOAGA-UHFFFAOYSA-N 0 0 398.240 4.538 50 0 GJAARN COc1ccc(OCCOCCOc2cc(C)c(C)cc2Br)cc1 ZINC000004701993 570395087 /nfs/dbraw/zinc/39/50/87/570395087.db2.gz LACKFXZRZFKRGP-UHFFFAOYSA-N 0 0 395.293 4.549 50 0 GJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccc(F)c(F)c1 ZINC000035555025 570395687 /nfs/dbraw/zinc/39/56/87/570395687.db2.gz JYDLILFQWKLWHC-UHFFFAOYSA-N 0 0 375.400 4.905 50 0 GJAARN CCN(Cc1ccc(Br)s1)C(=O)c1cccc2ncccc21 ZINC000032901218 570395955 /nfs/dbraw/zinc/39/59/55/570395955.db2.gz RHLGLKAIUQYIPU-UHFFFAOYSA-N 0 0 375.291 4.721 50 0 GJAARN CC(=O)Nc1cccc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)c1 ZINC000035555122 570396108 /nfs/dbraw/zinc/39/61/08/570396108.db2.gz FSJLDSUWPJQQFC-UHFFFAOYSA-N 0 0 396.472 4.585 50 0 GJAARN O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000005015158 570396512 /nfs/dbraw/zinc/39/65/12/570396512.db2.gz KFEIVDHXAOEHIX-UHFFFAOYSA-N 0 0 390.464 4.884 50 0 GJAARN Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C)c3cccs3)c2)cs1 ZINC000032879836 570396603 /nfs/dbraw/zinc/39/66/03/570396603.db2.gz LNOUYVGRTZOFTR-MYSGNRETSA-N 0 0 384.526 4.983 50 0 GJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)C1(C)C ZINC000004721859 570397506 /nfs/dbraw/zinc/39/75/06/570397506.db2.gz DOAPFWMHYCYJDH-RTWAWAEBSA-N 0 0 376.500 4.794 50 0 GJAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C ZINC000004717215 570397592 /nfs/dbraw/zinc/39/75/92/570397592.db2.gz CJNLULVRNIRSID-PZJWPPBQSA-N 0 0 376.500 4.794 50 0 GJAARN O=C(NCCOc1cccc(Cl)c1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000004717717 570397610 /nfs/dbraw/zinc/39/76/10/570397610.db2.gz AXVNKFBXFOUEQA-UHFFFAOYSA-N 0 0 383.319 4.640 50 0 GJAARN Cc1nccn1-c1ccc(NC(=O)c2cc3ccccc3cc2OC(F)F)cn1 ZINC000122814463 570398216 /nfs/dbraw/zinc/39/82/16/570398216.db2.gz CUGLFNKRNNKPLL-UHFFFAOYSA-N 0 0 394.381 4.583 50 0 GJAARN CCc1ccccc1Nc1nnc(SCc2ccoc2C(=O)OC)s1 ZINC000024926180 570398709 /nfs/dbraw/zinc/39/87/09/570398709.db2.gz FRBFVCOWQPRAFN-UHFFFAOYSA-N 0 0 375.475 4.516 50 0 GJAARN O=C(CCCc1cccs1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024932795 570399035 /nfs/dbraw/zinc/39/90/35/570399035.db2.gz XTAGMBKJXLRCGD-HXUWFJFHSA-N 0 0 379.529 4.509 50 0 GJAARN C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1C)CCc1ccccc1-3 ZINC000005024904 570399120 /nfs/dbraw/zinc/39/91/20/570399120.db2.gz PINRYNYXRVPPFU-PKNBQFBNSA-N 0 0 388.945 4.995 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2c3ccccc3nc2N1 ZINC000004735670 570399546 /nfs/dbraw/zinc/39/95/46/570399546.db2.gz VQVMTVSAJOKHDW-QFIPXVFZSA-N 0 0 396.450 4.670 50 0 GJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@@H]1COc2ccccc2C1 ZINC000024964395 570399913 /nfs/dbraw/zinc/39/99/13/570399913.db2.gz SHOPYMFHBMHECH-UNMCSNQZSA-N 0 0 396.490 4.667 50 0 GJAARN CC(C)C(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 ZINC000024969774 570400387 /nfs/dbraw/zinc/40/03/87/570400387.db2.gz QFRHAWJCFUUZBO-UHFFFAOYSA-N 0 0 376.485 4.503 50 0 GJAARN O=C(c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000024974603 570400460 /nfs/dbraw/zinc/40/04/60/570400460.db2.gz YHKJGPCYFCZOIT-HXUWFJFHSA-N 0 0 397.521 4.759 50 0 GJAARN COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000024973299 570400528 /nfs/dbraw/zinc/40/05/28/570400528.db2.gz AWMMAXXRBFEHAM-UHFFFAOYSA-N 0 0 398.484 4.574 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cccc(CC)c3)C2)s1 ZINC000033078368 570401573 /nfs/dbraw/zinc/40/15/73/570401573.db2.gz ATOPBWNZQUPVLQ-INIZCTEOSA-N 0 0 394.544 4.671 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3cccc(CC)c3)C2)s1 ZINC000033078367 570401588 /nfs/dbraw/zinc/40/15/88/570401588.db2.gz ATOPBWNZQUPVLQ-MRXNPFEDSA-N 0 0 394.544 4.671 50 0 GJAARN CC(=O)N(c1nc(CSc2nccn2C)cs1)c1c(C)cc(C)cc1C ZINC000006369405 570401851 /nfs/dbraw/zinc/40/18/51/570401851.db2.gz ZEZDZDVQEQNILS-UHFFFAOYSA-N 0 0 386.546 4.779 50 0 GJAARN O=C(NC1CCCC1)c1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1 ZINC000033131077 570401914 /nfs/dbraw/zinc/40/19/14/570401914.db2.gz HITZKSLJVGHDEU-UHFFFAOYSA-N 0 0 377.419 4.747 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139967 570402189 /nfs/dbraw/zinc/40/21/89/570402189.db2.gz AMUIXXRCJVHJFN-HNNXBMFYSA-N 0 0 379.485 4.948 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 ZINC000006384095 570402785 /nfs/dbraw/zinc/40/27/85/570402785.db2.gz UTTFAQLYXBXKDB-MRXNPFEDSA-N 0 0 378.472 4.713 50 0 GJAARN O=c1oc2cc(OCc3cc4c(cc3Cl)OCO4)ccc2c2c1CCCC2 ZINC000004755013 570403003 /nfs/dbraw/zinc/40/30/03/570403003.db2.gz JXNWDPJVYGQLFP-UHFFFAOYSA-N 0 0 384.815 4.633 50 0 GJAARN CCOc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O ZINC000004755084 570403061 /nfs/dbraw/zinc/40/30/61/570403061.db2.gz CQXNWDSCQVCUKC-VQHVLOKHSA-N 0 0 386.245 4.978 50 0 GJAARN Cc1cc(C(F)(F)Cl)nc2sc(C(=O)c3ccc(F)cc3F)c(N)c21 ZINC000006400180 570404863 /nfs/dbraw/zinc/40/48/63/570404863.db2.gz MKRWOCWUZCPUGV-UHFFFAOYSA-N 0 0 388.773 4.984 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1 ZINC000033298829 570405378 /nfs/dbraw/zinc/40/53/78/570405378.db2.gz BNFKIMCRFBVPHG-UHFFFAOYSA-N 0 0 378.544 4.577 50 0 GJAARN O=C(NCC1(c2ccccc2)CCCC1)c1ccccc1OCc1ccncc1 ZINC000025082789 570405927 /nfs/dbraw/zinc/40/59/27/570405927.db2.gz KWRSEMRBWRZVEV-UHFFFAOYSA-N 0 0 386.495 4.902 50 0 GJAARN CC1(C)C[C@H](n2c(=O)c3ccccc3nc2SCCc2ccccc2)CCO1 ZINC000004795362 570405960 /nfs/dbraw/zinc/40/59/60/570405960.db2.gz OSXFKGDAGJBZAU-GOSISDBHSA-N 0 0 394.540 4.861 50 0 GJAARN CCc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2ccccc2)no1 ZINC000033331267 570406731 /nfs/dbraw/zinc/40/67/31/570406731.db2.gz FUJFLIORYXBAKP-UHFFFAOYSA-N 0 0 394.431 4.814 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c(C)[nH]1 ZINC000025146550 570406802 /nfs/dbraw/zinc/40/68/02/570406802.db2.gz WMHQRQGESBTBPV-UHFFFAOYSA-N 0 0 386.496 4.660 50 0 GJAARN CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000025159093 570407601 /nfs/dbraw/zinc/40/76/01/570407601.db2.gz QSCNPOYWPPOMGQ-GHTZIAJQSA-N 0 0 397.494 4.583 50 0 GJAARN COc1ccc(N(Cc2ccccc2)C(=O)c2nc(SC)ncc2Cl)cc1 ZINC000004820985 570408497 /nfs/dbraw/zinc/40/84/97/570408497.db2.gz CGZPKMNJGFKMNV-UHFFFAOYSA-N 0 0 399.903 4.708 50 0 GJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc(Cl)cc1 ZINC000004819654 570408592 /nfs/dbraw/zinc/40/85/92/570408592.db2.gz VZLTVBIWGAUXNN-UHFFFAOYSA-N 0 0 392.842 4.508 50 0 GJAARN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Br)ccc1Cl ZINC000025047765 570409037 /nfs/dbraw/zinc/40/90/37/570409037.db2.gz PWYZMUFISROIEY-CMPLNLGQSA-N 0 0 384.623 4.953 50 0 GJAARN O=C(N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)c1ccccn1 ZINC000000836882 570409277 /nfs/dbraw/zinc/40/92/77/570409277.db2.gz VWUNBPSXWCMXTP-QGZVFWFLSA-N 0 0 394.689 4.773 50 0 GJAARN Cc1ccc(-c2cc3nc(-c4ccc(Br)cc4)cc(N)n3n2)cc1 ZINC000004832007 570409468 /nfs/dbraw/zinc/40/94/68/570409468.db2.gz LHNPEHXHXPQMFY-UHFFFAOYSA-N 0 0 379.261 4.716 50 0 GJAARN O=C(CSCC(=O)Nc1ccc2c(c1)oc1ccccc12)Nc1ccccc1 ZINC000004851292 570411930 /nfs/dbraw/zinc/41/19/30/570411930.db2.gz CPDYAUSELXPWCJ-UHFFFAOYSA-N 0 0 390.464 4.896 50 0 GJAARN Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(Cl)cc2)CSC3)c1 ZINC000005077659 570413213 /nfs/dbraw/zinc/41/32/13/570413213.db2.gz RROPBIMXVAVXBJ-UHFFFAOYSA-N 0 0 383.904 4.762 50 0 GJAARN O[C@@H](c1ccccc1)C1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000025454414 570414009 /nfs/dbraw/zinc/41/40/09/570414009.db2.gz PWYDVZKUZVVGQG-SFHVURJKSA-N 0 0 387.405 4.599 50 0 GJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3Cl)c12 ZINC000013002295 570414215 /nfs/dbraw/zinc/41/42/15/570414215.db2.gz XEUOTQLFFZBDBV-UHFFFAOYSA-N 0 0 384.798 4.582 50 0 GJAARN O=C(Nc1cc(Br)ccc1O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000004880506 570414805 /nfs/dbraw/zinc/41/48/05/570414805.db2.gz AFNHUFKLDXIDSL-UHFFFAOYSA-N 0 0 393.624 4.715 50 0 GJAARN Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cn1 ZINC000004881058 570415093 /nfs/dbraw/zinc/41/50/93/570415093.db2.gz YQGVFKDAYYSNRS-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN COc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)cc1OC(F)F ZINC000013005823 570415116 /nfs/dbraw/zinc/41/51/16/570415116.db2.gz JCBFKZDGIHSOKP-UHFFFAOYSA-N 0 0 380.372 4.574 50 0 GJAARN CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1cccc(Cl)c1 ZINC000013010055 570416143 /nfs/dbraw/zinc/41/61/43/570416143.db2.gz CZDQUTCVNBIKHR-NSHDSACASA-N 0 0 377.901 4.978 50 0 GJAARN CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000004913120 570417503 /nfs/dbraw/zinc/41/75/03/570417503.db2.gz RWADYZHYYTVSDS-OAHLLOKOSA-N 0 0 384.303 4.850 50 0 GJAARN CCc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)cc1 ZINC000006124498 570418030 /nfs/dbraw/zinc/41/80/30/570418030.db2.gz NWVJVNKLOYTQII-UHFFFAOYSA-N 0 0 395.462 4.815 50 0 GJAARN O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1cc2ccccc2o1 ZINC000004945046 570419202 /nfs/dbraw/zinc/41/92/02/570419202.db2.gz PWVKCVOGQYJJPK-UHFFFAOYSA-N 0 0 382.375 4.854 50 0 GJAARN COc1ccc2nc(C)c(C(=O)Nc3ccc(-c4nccs4)cc3)cc2c1 ZINC000025804293 570419827 /nfs/dbraw/zinc/41/98/27/570419827.db2.gz OYSWFOROAVCRAB-UHFFFAOYSA-N 0 0 375.453 4.928 50 0 GJAARN O=C(c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000025898879 570420529 /nfs/dbraw/zinc/42/05/29/570420529.db2.gz YGTKJRPZZIIMGW-QFIPXVFZSA-N 0 0 391.492 4.697 50 0 GJAARN Cn1c2ccccc2c2cc([C@@H]3[NH2+][C@H](C(=O)[O-])Cc4c5ccccc5[nH]c43)ccc21 ZINC000001787663 570424661 /nfs/dbraw/zinc/42/46/61/570424661.db2.gz NGQNWWAYSMYTDE-REWPJTCUSA-N 0 0 395.462 4.501 50 0 biogenic GJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 ZINC000005136294 570424770 /nfs/dbraw/zinc/42/47/70/570424770.db2.gz IGPXFJCGVUCPBL-UHFFFAOYSA-N 0 0 376.481 4.902 50 0 GJAARN COc1cccc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)c1 ZINC000006451738 570425795 /nfs/dbraw/zinc/42/57/95/570425795.db2.gz LXKLLEGIXLYMEU-UHFFFAOYSA-N 0 0 385.832 4.866 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1c(=S)[nH]nc1-c1cccs1 ZINC000064334594 570426942 /nfs/dbraw/zinc/42/69/42/570426942.db2.gz NZFCWHQILKCGKU-SNVBAGLBSA-N 0 0 378.910 4.831 50 0 GJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cc(C)ccc4C)csc3n2)cc1 ZINC000005146873 570427043 /nfs/dbraw/zinc/42/70/43/570427043.db2.gz NMBVYYPREGTRNS-UHFFFAOYSA-N 0 0 391.496 4.869 50 0 GJAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCc3ccccc3)c(C)c12 ZINC000005150586 570428513 /nfs/dbraw/zinc/42/85/13/570428513.db2.gz XZRMOWXZELTZMV-UHFFFAOYSA-N 0 0 398.510 4.595 50 0 GJAARN O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239274624 570428810 /nfs/dbraw/zinc/42/88/10/570428810.db2.gz ALQWNGCYQQTPAT-CXSMSNRLSA-N 0 0 393.486 4.925 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000005101186 570429347 /nfs/dbraw/zinc/42/93/47/570429347.db2.gz LKSWZKSXTALPGW-UHFFFAOYSA-N 0 0 388.895 4.608 50 0 GJAARN CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000100676484 570430219 /nfs/dbraw/zinc/43/02/19/570430219.db2.gz NOJVJYOXMCSLSP-UHFFFAOYSA-N 0 0 381.428 4.524 50 0 GJAARN COc1cccc(CNC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)c1 ZINC000032952993 570431614 /nfs/dbraw/zinc/43/16/14/570431614.db2.gz DLPOMJRYYQSAQQ-UHFFFAOYSA-N 0 0 383.451 4.544 50 0 GJAARN CSc1ncc(Cl)c(C(c2ccccc2)(c2ccccc2)n2ccnc2)n1 ZINC000005297947 570433323 /nfs/dbraw/zinc/43/33/23/570433323.db2.gz NLEJMMOFLMHUIS-UHFFFAOYSA-N 0 0 392.915 4.889 50 0 GJAARN COc1cccc([C@@H]2C[C@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 ZINC000072270311 570434876 /nfs/dbraw/zinc/43/48/76/570434876.db2.gz NUICLNMFNXEAMK-LEWJYISDSA-N 0 0 392.524 4.840 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000027583198 570436760 /nfs/dbraw/zinc/43/67/60/570436760.db2.gz GYPCWBGRFXXYNT-UHFFFAOYSA-N 0 0 395.390 4.971 50 0 GJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)cc1 ZINC000027630879 570437810 /nfs/dbraw/zinc/43/78/10/570437810.db2.gz YHWDRHNZHUGTTE-UHFFFAOYSA-N 0 0 399.494 4.595 50 0 GJAARN Cc1cc(O[C@@H](C)C(=O)N[C@H](c2nccn2C)c2ccccc2)ccc1C(C)C ZINC000044369912 570440269 /nfs/dbraw/zinc/44/02/69/570440269.db2.gz CBCDABIQNHXJFT-AVRDEDQJSA-N 0 0 391.515 4.525 50 0 GJAARN C/C=C(\C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl ZINC000022654381 570441327 /nfs/dbraw/zinc/44/13/27/570441327.db2.gz MPWBXKRRFRBHBM-UTHCBZGRSA-N 0 0 385.891 4.798 50 0 GJAARN C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000248118997 570441347 /nfs/dbraw/zinc/44/13/47/570441347.db2.gz MNVZAXASRIFKJS-ZHRRBRCNSA-N 0 0 396.581 4.977 50 0 GJAARN CCc1ccc2c(CSc3nnc(C)n3-c3ccccc3)cc(=O)oc2c1 ZINC000089289511 570442365 /nfs/dbraw/zinc/44/23/65/570442365.db2.gz ZDLZSXIXYBJXDA-UHFFFAOYSA-N 0 0 377.469 4.537 50 0 GJAARN CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@](C)(C3SCCS3)C[C@H]12 ZINC000252427794 570442417 /nfs/dbraw/zinc/44/24/17/570442417.db2.gz GEFRKHXTFACOQE-IFKFXWNZSA-N 0 0 398.634 4.718 50 0 GJAARN CCCSc1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1 ZINC000027795441 570443496 /nfs/dbraw/zinc/44/34/96/570443496.db2.gz XDRDHTJVZQHBDN-UHFFFAOYSA-N 0 0 380.311 4.610 50 0 GJAARN COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000027795696 570443539 /nfs/dbraw/zinc/44/35/39/570443539.db2.gz AKGGZWZVTNVLMJ-UHFFFAOYSA-N 0 0 385.847 4.862 50 0 GJAARN CSc1ccc(CN(C)Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)cc1 ZINC000006475746 570446488 /nfs/dbraw/zinc/44/64/88/570446488.db2.gz VRQIZTUZMKPMER-UHFFFAOYSA-N 0 0 393.434 4.708 50 0 GJAARN Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000011914544 570447629 /nfs/dbraw/zinc/44/76/29/570447629.db2.gz GMQLMGVDBYKCQZ-UHFFFAOYSA-N 0 0 380.875 4.964 50 0 GJAARN CC(C)c1cc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c(O)c(C(C)C)c1 ZINC000032956596 570448894 /nfs/dbraw/zinc/44/88/94/570448894.db2.gz QOLOUXJSZFTXGB-INIZCTEOSA-N 0 0 383.488 4.501 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000027993934 570448972 /nfs/dbraw/zinc/44/89/72/570448972.db2.gz IVCIPHXDLDYZSG-UHFFFAOYSA-N 0 0 394.540 4.845 50 0 GJAARN COc1ccccc1NC=C1c2ccccc2C(=O)N(c2ccc(C)cc2)C1=O ZINC000005647296 570449790 /nfs/dbraw/zinc/44/97/90/570449790.db2.gz SRWUPPJLOIAYDT-HMMYKYKNSA-N 0 0 384.435 4.644 50 0 GJAARN Cc1cc(C)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)c1 ZINC000001924404 570450005 /nfs/dbraw/zinc/45/00/05/570450005.db2.gz KNIQCKRQLRJGTH-UHFFFAOYSA-N 0 0 390.512 4.847 50 0 GJAARN COc1ccc(-c2ccc(C(=O)NC(C(C)C)C(C)C)s2)c(OC)c1OC ZINC000022655614 570451894 /nfs/dbraw/zinc/45/18/94/570451894.db2.gz KBDVBXCHKIEPNW-UHFFFAOYSA-N 0 0 391.533 4.851 50 0 GJAARN O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(C2SCCCS2)cc1 ZINC000028257109 570453668 /nfs/dbraw/zinc/45/36/68/570453668.db2.gz IITAQGDWXQAHTK-UHFFFAOYSA-N 0 0 399.537 4.901 50 0 GJAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2)c1 ZINC000028291331 570456018 /nfs/dbraw/zinc/45/60/18/570456018.db2.gz RCJJILXARBGJOI-SFHVURJKSA-N 0 0 377.488 4.769 50 0 GJAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292973 570457190 /nfs/dbraw/zinc/45/71/90/570457190.db2.gz GAUIRIAYCVDZEA-HXUWFJFHSA-N 0 0 382.410 4.751 50 0 GJAARN Cc1c(C)n(C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)c2ccccc12 ZINC000028297116 570457553 /nfs/dbraw/zinc/45/75/53/570457553.db2.gz DGBWCDMZVRGXLT-OAHLLOKOSA-N 0 0 387.405 4.688 50 0 GJAARN C[C@H](NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)cc1 ZINC000028408566 570459598 /nfs/dbraw/zinc/45/95/98/570459598.db2.gz PQABWWKFFKBQFK-AWEZNQCLSA-N 0 0 397.862 4.746 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000006507884 570460493 /nfs/dbraw/zinc/46/04/93/570460493.db2.gz HXMVXPGSANCYSY-UHFFFAOYSA-N 0 0 394.525 4.915 50 0 GJAARN Cc1cccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)no2)c1 ZINC000028580722 570461596 /nfs/dbraw/zinc/46/15/96/570461596.db2.gz RCCSIYGSKAXOEG-HNNXBMFYSA-N 0 0 379.460 4.749 50 0 GJAARN O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc2c(c1)OCCO2 ZINC000006509907 570461888 /nfs/dbraw/zinc/46/18/88/570461888.db2.gz YAKMRTIXIICIQQ-UHFFFAOYSA-N 0 0 385.872 4.995 50 0 GJAARN Cc1csc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000028638050 570462078 /nfs/dbraw/zinc/46/20/78/570462078.db2.gz DDCYWDMAWLOJLC-UHFFFAOYSA-N 0 0 384.301 4.507 50 0 GJAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c1 ZINC000006127451 570466647 /nfs/dbraw/zinc/46/66/47/570466647.db2.gz NWOGZKVGKUPAQP-URXFXBBRSA-N 0 0 386.451 4.946 50 0 GJAARN CC(C)n1ncc2cc(C(=O)O[C@H](C)c3nc4ccccc4n3C(F)F)cnc21 ZINC000054277393 570469736 /nfs/dbraw/zinc/46/97/36/570469736.db2.gz RFDPACKDKHZSRB-GFCCVEGCSA-N 0 0 399.401 4.675 50 0 GJAARN COc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccco2)cc1 ZINC000006230644 570472605 /nfs/dbraw/zinc/47/26/05/570472605.db2.gz XMCQKHFUVLEEQI-UHFFFAOYSA-N 0 0 393.468 4.837 50 0 GJAARN CC(C)(C)c1ccc(-c2nnc(Sc3nccc(C(F)(F)F)n3)o2)cc1 ZINC000029439189 570473794 /nfs/dbraw/zinc/47/37/94/570473794.db2.gz VNAIZYDQXUBLCO-UHFFFAOYSA-N 0 0 380.395 4.994 50 0 GJAARN CCOC(=O)C1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892939 570474333 /nfs/dbraw/zinc/47/43/33/570474333.db2.gz WDJSSWQGBPPQDV-UHFFFAOYSA-N 0 0 399.560 4.617 50 0 GJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 ZINC000029516055 570475313 /nfs/dbraw/zinc/47/53/13/570475313.db2.gz LAUJWEGEZMMNAH-IAGOWNOFSA-N 0 0 379.529 4.745 50 0 GJAARN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCc2ccccc2C1 ZINC000029504144 570475366 /nfs/dbraw/zinc/47/53/66/570475366.db2.gz DVJGUPYZWVKFEA-UHFFFAOYSA-N 0 0 378.497 4.782 50 0 GJAARN CCOc1ccccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)CC(C)C)c1 ZINC000035925048 570479754 /nfs/dbraw/zinc/47/97/54/570479754.db2.gz VUWSFVBAEDEBKN-JOCHJYFZSA-N 0 0 398.528 4.849 50 0 GJAARN Cc1noc(C)c1CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000029820501 570480754 /nfs/dbraw/zinc/48/07/54/570480754.db2.gz NNSWMVLJOKUTFW-KRWDZBQOSA-N 0 0 382.291 4.591 50 0 GJAARN Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)c(C)c3Cl)c2n1 ZINC000006485579 570481383 /nfs/dbraw/zinc/48/13/83/570481383.db2.gz POLOIRJWVKKNSC-UHFFFAOYSA-N 0 0 382.268 4.926 50 0 GJAARN CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000022660869 570483864 /nfs/dbraw/zinc/48/38/64/570483864.db2.gz KREBUXLXOHHESU-AWEZNQCLSA-N 0 0 389.517 4.846 50 0 GJAARN COc1ccc(CCN2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)cc1 ZINC000006585870 570484017 /nfs/dbraw/zinc/48/40/17/570484017.db2.gz JXBZKLVNPQQLMW-UHFFFAOYSA-N 0 0 398.510 4.525 50 0 GJAARN COc1ccc(C(=O)NCCc2ccc3oc4ccccc4c3c2)cc1OC ZINC000006668151 570486979 /nfs/dbraw/zinc/48/69/79/570486979.db2.gz FOWKVIXUXOBAFR-UHFFFAOYSA-N 0 0 375.424 4.576 50 0 GJAARN CC(=O)Nc1cccc([C@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000030273806 570487721 /nfs/dbraw/zinc/48/77/21/570487721.db2.gz LGSCMNHKGXSDGR-NSHDSACASA-N 0 0 385.514 4.629 50 0 GJAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000054287547 570490194 /nfs/dbraw/zinc/49/01/94/570490194.db2.gz UOCDFBBLJDQKFC-UHFFFAOYSA-N 0 0 392.802 4.830 50 0 GJAARN c1ccc([C@H](NCc2cccc(OCc3ccccn3)c2)c2ccccn2)cc1 ZINC000030544686 570490835 /nfs/dbraw/zinc/49/08/35/570490835.db2.gz KBOAZTGUBJJFAQ-VWLOTQADSA-N 0 0 381.479 4.935 50 0 GJAARN Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc3c(n2)CCCC3)ccc1F ZINC000089540670 570492640 /nfs/dbraw/zinc/49/26/40/570492640.db2.gz BVEFDEACHYCFTE-UHFFFAOYSA-N 0 0 393.418 4.506 50 0 GJAARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000006856616 570496590 /nfs/dbraw/zinc/49/65/90/570496590.db2.gz HAZOFFAHGHEMFH-JOCHJYFZSA-N 0 0 377.394 4.893 50 0 GJAARN O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CNc1ccccc1C(F)(F)F ZINC000003087951 570502791 /nfs/dbraw/zinc/50/27/91/570502791.db2.gz HDDLYMLONHITRP-DHDCSXOGSA-N 0 0 396.365 4.950 50 0 GJAARN CCC(=O)c1cccc(-c2cccc(C(=O)N(C)[C@@H]3CCOC(C)(C)C3)c2)c1 ZINC000426628738 570502928 /nfs/dbraw/zinc/50/29/28/570502928.db2.gz INUYRSHTHOLBGP-OAQYLSRUSA-N 0 0 379.500 4.976 50 0 GJAARN COc1ccc2c(C)cc3nnc(SCCOc4ccccc4F)n3c2c1 ZINC000006623571 570507271 /nfs/dbraw/zinc/50/72/71/570507271.db2.gz GLFMOJLMXYTCTM-UHFFFAOYSA-N 0 0 383.448 4.510 50 0 GJAARN O=C(CSc1nccn1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000002723007 570509010 /nfs/dbraw/zinc/50/90/10/570509010.db2.gz DOVVMFALEPCWMH-UHFFFAOYSA-N 0 0 378.284 4.910 50 0 GJAARN Cc1ccc2nc(NC(=O)CSc3nccn3-c3cccc(C)c3)sc2c1 ZINC000002723030 570509041 /nfs/dbraw/zinc/50/90/41/570509041.db2.gz HTGTZCRNBJQBHG-UHFFFAOYSA-N 0 0 394.525 4.830 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1Cl ZINC000002723646 570509354 /nfs/dbraw/zinc/50/93/54/570509354.db2.gz FGGXKGJQYMCDBO-UHFFFAOYSA-N 0 0 375.856 4.704 50 0 GJAARN CCOc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 ZINC000002723693 570509393 /nfs/dbraw/zinc/50/93/93/570509393.db2.gz ZPLFWACMCXBYRS-UHFFFAOYSA-N 0 0 387.892 4.655 50 0 GJAARN O=c1[nH]c2cc(-c3noc(Cc4ccc(Cl)cc4)n3)ccc2n1C1CCCC1 ZINC000064661844 570512605 /nfs/dbraw/zinc/51/26/05/570512605.db2.gz MPTRZDBLYSPEOB-UHFFFAOYSA-N 0 0 394.862 4.739 50 0 GJAARN Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)o2)c1 ZINC000005219323 570513824 /nfs/dbraw/zinc/51/38/24/570513824.db2.gz MGAFERBRAUHNMY-QGZVFWFLSA-N 0 0 395.528 4.583 50 0 GJAARN COc1cc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)ccc1OC(F)F ZINC000006641925 570513763 /nfs/dbraw/zinc/51/37/63/570513763.db2.gz BZJBQIQBIVNCQR-UHFFFAOYSA-N 0 0 376.403 4.814 50 0 GJAARN CCc1c(C)scc1C(=O)Nc1sc(Cc2ccccc2)cc1C(N)=O ZINC000002755047 570513905 /nfs/dbraw/zinc/51/39/05/570513905.db2.gz QFBBYQFYKGEOQI-UHFFFAOYSA-N 0 0 384.526 4.622 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3c(C)cccc3C)cc2s1 ZINC000032959704 570516589 /nfs/dbraw/zinc/51/65/89/570516589.db2.gz XADIOBKBVRHPOM-UHFFFAOYSA-N 0 0 381.501 4.833 50 0 GJAARN Cc1ccc2[nH]c(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)nc2c1 ZINC000006649733 570516669 /nfs/dbraw/zinc/51/66/69/570516669.db2.gz SWPUGQQARKHZJF-ZDUSSCGKSA-N 0 0 396.541 4.793 50 0 GJAARN Cc1nc(-c2cccc(-c3noc(-c4cncc(Br)c4)n3)c2)cs1 ZINC000064676990 570516892 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GJAARN COc1ccc(OC)c(Nc2nc3ccc(C)cc3nc2-n2nc(C)cc2C)c1 ZINC000006786073 570592518 /nfs/dbraw/zinc/59/25/18/570592518.db2.gz DCTNXXAWXKRJNF-UHFFFAOYSA-N 0 0 389.459 4.502 50 0 GJAARN Cc1cccc(NC(=O)[C@H](C)n2nc(C)c3sc4ccccc4c3c2=O)c1C ZINC000006799075 570598741 /nfs/dbraw/zinc/59/87/41/570598741.db2.gz YLXMKELUBAGXNP-HNNXBMFYSA-N 0 0 391.496 4.736 50 0 GJAARN COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1 ZINC000003299071 570603796 /nfs/dbraw/zinc/60/37/96/570603796.db2.gz XJQHZNYOYKWQFD-UHFFFAOYSA-N 0 0 385.514 4.882 50 0 GJAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(CCO)Cc1cccs1 ZINC000012073628 570604699 /nfs/dbraw/zinc/60/46/99/570604699.db2.gz YAZWKJURUVVLSG-UHFFFAOYSA-N 0 0 396.434 4.725 50 0 GJAARN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(Cc2nccs2)C1 ZINC000012074843 570605051 /nfs/dbraw/zinc/60/50/51/570605051.db2.gz BWLZUMSCBIXZQL-SFHVURJKSA-N 0 0 395.503 4.800 50 0 GJAARN CCN(CC)C(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003334261 570605396 /nfs/dbraw/zinc/60/53/96/570605396.db2.gz RYAAISFFFZYDJP-UHFFFAOYSA-N 0 0 386.495 4.939 50 0 GJAARN Cc1ccc(N[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000006804135 570606706 /nfs/dbraw/zinc/60/67/06/570606706.db2.gz FOXUTHBULVTJFW-UXHICEINSA-N 0 0 392.952 4.658 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1c(C)nn(-c2ccccc2)c1-n1cccc1 ZINC000006807071 570607511 /nfs/dbraw/zinc/60/75/11/570607511.db2.gz HCANBKQPJKOJGR-UHFFFAOYSA-N 0 0 384.483 4.634 50 0 GJAARN O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 ZINC000003443004 570608122 /nfs/dbraw/zinc/60/81/22/570608122.db2.gz RKLBDOFVUIXTCI-UHFFFAOYSA-N 0 0 391.945 4.902 50 0 GJAARN CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000012094179 570608204 /nfs/dbraw/zinc/60/82/04/570608204.db2.gz FAERYDBUYMBFSZ-KRWDZBQOSA-N 0 0 396.512 4.738 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000003451467 570608652 /nfs/dbraw/zinc/60/86/52/570608652.db2.gz OUTDQQVSSKPEDE-UHFFFAOYSA-N 0 0 376.384 4.672 50 0 GJAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC000005482939 570610915 /nfs/dbraw/zinc/61/09/15/570610915.db2.gz DZWIGNOSHKVYBN-SNVBAGLBSA-N 0 0 378.762 4.679 50 0 GJAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(Cl)cc1 ZINC000005483100 570610948 /nfs/dbraw/zinc/61/09/48/570610948.db2.gz FFODJBCKILTTBX-UHFFFAOYSA-N 0 0 380.856 4.661 50 0 GJAARN CC[C@H](C)NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)c(C)c2)c1C ZINC000006808936 570611088 /nfs/dbraw/zinc/61/10/88/570611088.db2.gz UHANPFRPBFLHMH-INIZCTEOSA-N 0 0 392.547 4.810 50 0 GJAARN COc1cccc(Cn2ncc3ccc(C(=O)N[C@H](C)c4ccc(C)cc4)cc32)c1 ZINC000064955745 570611847 /nfs/dbraw/zinc/61/18/47/570611847.db2.gz QBDIIYXQFDBYAZ-GOSISDBHSA-N 0 0 399.494 4.893 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000225757644 570613735 /nfs/dbraw/zinc/61/37/35/570613735.db2.gz QINCDKSPGRBOJD-UHFFFAOYSA-N 0 0 392.396 4.512 50 0 GJAARN CCNC(=O)c1c(NC(=O)Cc2coc3cc(C)ccc23)sc2c1CCCC2 ZINC000006809930 570613961 /nfs/dbraw/zinc/61/39/61/570613961.db2.gz UBIURXKOLMXSTJ-UHFFFAOYSA-N 0 0 396.512 4.612 50 0 GJAARN O=C(c1cccc(F)c1)N1CCC[C@@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315240 570614045 /nfs/dbraw/zinc/61/40/45/570614045.db2.gz FIGVBDJWFBYLDQ-GOSISDBHSA-N 0 0 381.369 4.666 50 0 GJAARN Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000004057934 570614316 /nfs/dbraw/zinc/61/43/16/570614316.db2.gz FMHXDMDVAWGLAA-UHFFFAOYSA-N 0 0 377.473 4.535 50 0 GJAARN Cc1ccc(Cn2cccc2CNS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000064959409 570614442 /nfs/dbraw/zinc/61/44/42/570614442.db2.gz VULQQWUPCANMAW-UHFFFAOYSA-N 0 0 396.556 4.522 50 0 GJAARN CCOC(=O)c1sc(NC(=O)c2ccccc2Oc2ccccc2)nc1C ZINC000004070007 570614687 /nfs/dbraw/zinc/61/46/87/570614687.db2.gz VJZZCDZQSYZMIS-UHFFFAOYSA-N 0 0 382.441 4.673 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000033004016 570618022 /nfs/dbraw/zinc/61/80/22/570618022.db2.gz YRHBDTGENGCTPD-UHFFFAOYSA-N 0 0 380.350 4.791 50 0 GJAARN O=C1/C(=C\c2ccccc2)N=C2SC=C(c3ccc(Br)cc3)N12 ZINC000004168664 570621081 /nfs/dbraw/zinc/62/10/81/570621081.db2.gz UDQSUVZPTZEFQD-XNTDXEJSSA-N 0 0 383.270 4.734 50 0 GJAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012194569 570622816 /nfs/dbraw/zinc/62/28/16/570622816.db2.gz KKXRNXMJXBUPIB-KNQAVFIVSA-N 0 0 388.423 4.617 50 0 GJAARN CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004283595 570624450 /nfs/dbraw/zinc/62/44/50/570624450.db2.gz QYNXBOURKPKWIA-HIGJEIRPSA-N 0 0 389.923 4.643 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CN3CCCC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340965 570625348 /nfs/dbraw/zinc/62/53/48/570625348.db2.gz KLOIZAAVTTZKJF-JOCHJYFZSA-N 0 0 395.934 4.730 50 0 GJAARN CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004362720 570626452 /nfs/dbraw/zinc/62/64/52/570626452.db2.gz SQYRTFAGKFAVIH-CQSZACIVSA-N 0 0 375.852 4.559 50 0 GJAARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000004597493 570628998 /nfs/dbraw/zinc/62/89/98/570628998.db2.gz WHTHBIIAVJGNSA-HXUWFJFHSA-N 0 0 394.906 4.847 50 0 GJAARN Clc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 ZINC000006829870 570629163 /nfs/dbraw/zinc/62/91/63/570629163.db2.gz OBIJYYWCRPOVLL-UHFFFAOYSA-N 0 0 376.803 4.770 50 0 GJAARN O=C(Nc1cccc(N2CCn3c(nc4cc(Cl)ccc43)C2)c1)c1ccco1 ZINC000033018573 570631228 /nfs/dbraw/zinc/63/12/28/570631228.db2.gz CLNLHWCBOIXVNO-UHFFFAOYSA-N 0 0 392.846 4.555 50 0 GJAARN C[C@H]1Cc2ccc(CNC(=O)CCc3ccccc3)cc2N1C(=O)c1ccccc1 ZINC000064989886 570632780 /nfs/dbraw/zinc/63/27/80/570632780.db2.gz HESNOOZLSJLKHF-IBGZPJMESA-N 0 0 398.506 4.527 50 0 GJAARN Cc1nonc1[C@H]1CCCN1C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000012302031 570636662 /nfs/dbraw/zinc/63/66/62/570636662.db2.gz QATZBNNKCDMHMR-QGZVFWFLSA-N 0 0 380.448 4.544 50 0 GJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cccc(C)c1 ZINC000006834439 570637142 /nfs/dbraw/zinc/63/71/42/570637142.db2.gz WMBCKAWHPQASSN-UHFFFAOYSA-N 0 0 388.492 4.995 50 0 GJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cc(C)ccn3)cs2)c1C ZINC000033019406 570639553 /nfs/dbraw/zinc/63/95/53/570639553.db2.gz YHDUEFWQIXTUTR-UHFFFAOYSA-N 0 0 397.548 4.563 50 0 GJAARN CCCc1ccc2oc(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)c(C)c2c1 ZINC000012320696 570642792 /nfs/dbraw/zinc/64/27/92/570642792.db2.gz SCJRWNWUOOHICR-FQEVSTJZSA-N 0 0 392.499 4.910 50 0 GJAARN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)ccc1O ZINC000065002279 570644005 /nfs/dbraw/zinc/64/40/05/570644005.db2.gz FYVWTVUGMULNCT-CYBMUJFWSA-N 0 0 398.528 4.907 50 0 GJAARN COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1 ZINC000012391955 570644838 /nfs/dbraw/zinc/64/48/38/570644838.db2.gz ZHPPBUYNJJNZHG-UHFFFAOYSA-N 0 0 381.432 5.000 50 0 GJAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(Br)cc1F)C[C@H](C)O2 ZINC000006842785 570644952 /nfs/dbraw/zinc/64/49/52/570644952.db2.gz QPUOGWCNMSMPDS-NSHDSACASA-N 0 0 379.229 4.716 50 0 GJAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3c(F)cccc3F)ccc21 ZINC000033020553 570646236 /nfs/dbraw/zinc/64/62/36/570646236.db2.gz TVPIRLZDDFLGQN-UHFFFAOYSA-N 0 0 391.421 4.889 50 0 GJAARN COc1cccc(CC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)c1 ZINC000033020518 570646315 /nfs/dbraw/zinc/64/63/15/570646315.db2.gz GAJJBVRNDVPXHV-UHFFFAOYSA-N 0 0 399.494 4.548 50 0 GJAARN COc1cccc(CN(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)c1 ZINC000012373618 570648861 /nfs/dbraw/zinc/64/88/61/570648861.db2.gz NKSPPJKAPHZRID-UHFFFAOYSA-N 0 0 399.494 4.890 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2c1OC ZINC000065023009 570649395 /nfs/dbraw/zinc/64/93/95/570649395.db2.gz DVJPUZRZQQHZSP-UHFFFAOYSA-N 0 0 390.848 4.994 50 0 GJAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N(C)C1CCCCC1 ZINC000065031608 570651992 /nfs/dbraw/zinc/65/19/92/570651992.db2.gz NYKAHAXSNSXINE-QGZVFWFLSA-N 0 0 389.499 4.855 50 0 GJAARN C[C@@]1(C(=O)NCCCn2c3ccccc3c3ccccc32)CC1(Cl)Cl ZINC000012402155 570652700 /nfs/dbraw/zinc/65/27/00/570652700.db2.gz YDUSUCVUBQBXTA-IBGZPJMESA-N 0 0 375.299 4.885 50 0 GJAARN Cc1ccsc1-c1nnc2sc(-c3cccc(Br)c3)nn21 ZINC000012409478 570655613 /nfs/dbraw/zinc/65/56/13/570655613.db2.gz FAHXQNRYYCXIRI-UHFFFAOYSA-N 0 0 377.292 4.652 50 0 GJAARN COc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(F)cc1 ZINC000012419396 570657809 /nfs/dbraw/zinc/65/78/09/570657809.db2.gz YZIFHLBMNQFCEB-MRXNPFEDSA-N 0 0 383.444 4.949 50 0 GJAARN CN(Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012430784 570658946 /nfs/dbraw/zinc/65/89/46/570658946.db2.gz CSSNYHCNBWXARB-UHFFFAOYSA-N 0 0 377.536 4.500 50 0 GJAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4C)csc3n2)cc1 ZINC000005147013 570659100 /nfs/dbraw/zinc/65/91/00/570659100.db2.gz WWVNSDBZZZEMQG-UHFFFAOYSA-N 0 0 391.496 4.951 50 0 GJAARN Cc1c(=O)c2cccc(C(=O)OCC(=O)C(C)(C)C)c2oc1-c1ccccc1 ZINC000005245707 570660150 /nfs/dbraw/zinc/66/01/50/570660150.db2.gz SSXGONZFFXXWSG-UHFFFAOYSA-N 0 0 378.424 4.540 50 0 GJAARN CCc1cccc(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000005584493 570661634 /nfs/dbraw/zinc/66/16/34/570661634.db2.gz VERCGESTHFOJHX-UHFFFAOYSA-N 0 0 387.526 4.523 50 0 GJAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccco2)n1 ZINC000012434840 570661724 /nfs/dbraw/zinc/66/17/24/570661724.db2.gz MMPHSRDTOABDKP-XMMPIXPASA-N 0 0 385.467 4.571 50 0 GJAARN CC(C)CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000000850730 570662615 /nfs/dbraw/zinc/66/26/15/570662615.db2.gz FADCHELRHXUPDF-CYBMUJFWSA-N 0 0 387.958 4.658 50 0 GJAARN O=C(c1cccs1)N(Cc1ccccc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000006872843 570664790 /nfs/dbraw/zinc/66/47/90/570664790.db2.gz POMXWFRKBFXYDZ-IBGZPJMESA-N 0 0 394.471 4.723 50 0 GJAARN O=C(Nc1cc(-c2cccc(Cl)c2)no1)c1noc2c1COc1ccccc1-2 ZINC000033028844 570666916 /nfs/dbraw/zinc/66/69/16/570666916.db2.gz ABOUGSDAIMBTCV-UHFFFAOYSA-N 0 0 393.786 4.795 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2C)C1 ZINC000065058721 570667504 /nfs/dbraw/zinc/66/75/04/570667504.db2.gz QZLLEUICUGRQHT-XMMPIXPASA-N 0 0 393.531 4.508 50 0 GJAARN CCn1nc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C ZINC000013703183 570670152 /nfs/dbraw/zinc/67/01/52/570670152.db2.gz BVHPDLJAOFQIGL-UHFFFAOYSA-N 0 0 381.288 4.894 50 0 GJAARN O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012420858 570672138 /nfs/dbraw/zinc/67/21/38/570672138.db2.gz SGFWKWNXRBEFIE-HXUWFJFHSA-N 0 0 384.464 4.683 50 0 GJAARN Cc1cc(C(=O)NCCCOC(C)C)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036806 570672477 /nfs/dbraw/zinc/67/24/77/570672477.db2.gz LXCDDPRGJXRFDD-UHFFFAOYSA-N 0 0 380.463 4.894 50 0 GJAARN Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)on1 ZINC000012422387 570673005 /nfs/dbraw/zinc/67/30/05/570673005.db2.gz PENWAWGOUKYZJO-UHFFFAOYSA-N 0 0 389.436 4.590 50 0 GJAARN CC(C)n1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012478948 570674274 /nfs/dbraw/zinc/67/42/74/570674274.db2.gz LJCKXFCAMFISHW-QGZVFWFLSA-N 0 0 379.426 4.578 50 0 GJAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)c2c1 ZINC000012437853 570675892 /nfs/dbraw/zinc/67/58/92/570675892.db2.gz BHDYKFCPZNVBSP-UHFFFAOYSA-N 0 0 394.540 4.929 50 0 GJAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000012441133 570677119 /nfs/dbraw/zinc/67/71/19/570677119.db2.gz IMPXRZGMRHVXBF-UHFFFAOYSA-N 0 0 395.890 4.599 50 0 GJAARN CCOCCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 ZINC000012442679 570677571 /nfs/dbraw/zinc/67/75/71/570677571.db2.gz QJXBATQZLLPLGB-UHFFFAOYSA-N 0 0 399.874 4.692 50 0 biogenic GJAARN O=C(Nc1cccc(F)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000032578527 570677586 /nfs/dbraw/zinc/67/75/86/570677586.db2.gz IWXFBFVKOQCARC-UHFFFAOYSA-N 0 0 389.386 4.707 50 0 GJAARN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(Br)cnc1Cl ZINC000060359018 570679132 /nfs/dbraw/zinc/67/91/32/570679132.db2.gz XUMBXEUJTBSBMX-LBPRGKRZSA-N 0 0 395.728 4.984 50 0 GJAARN COc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1Cl ZINC000238899435 570679896 /nfs/dbraw/zinc/67/98/96/570679896.db2.gz GJXGUCGGSXKTPK-QGZVFWFLSA-N 0 0 385.851 4.526 50 0 GJAARN Cc1cc2c(cc(C(=O)NCc3ccccc3)n2CCCOc2ccccc2)o1 ZINC000004345693 570680037 /nfs/dbraw/zinc/68/00/37/570680037.db2.gz LXSXZYWMAQBHGX-UHFFFAOYSA-N 0 0 388.467 4.942 50 0 GJAARN COc1ccc(-c2noc([C@@H](NC(=O)c3cccc(Cl)c3)C(C)C)n2)cc1 ZINC000238937069 570680295 /nfs/dbraw/zinc/68/02/95/570680295.db2.gz TVASQUDFVFUVPA-KRWDZBQOSA-N 0 0 385.851 4.526 50 0 GJAARN Cc1ccc(C)c(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1 ZINC000006886683 570681107 /nfs/dbraw/zinc/68/11/07/570681107.db2.gz RWTLJLRRXWGUFS-UHFFFAOYSA-N 0 0 379.481 4.731 50 0 GJAARN CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000036397506 570681723 /nfs/dbraw/zinc/68/17/23/570681723.db2.gz HUMGGEZMUHULGH-UHFFFAOYSA-N 0 0 381.834 4.982 50 0 GJAARN Cc1cccc(C)c1OCc1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)no1 ZINC000012573912 570681810 /nfs/dbraw/zinc/68/18/10/570681810.db2.gz VWVLVTUFFFGJEU-FQEVSTJZSA-N 0 0 390.483 4.890 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000239274647 570682218 /nfs/dbraw/zinc/68/22/18/570682218.db2.gz AMPROBWNLJZHSM-GMAHTHKFSA-N 0 0 390.870 5.591 50 0 GJAARN COc1ccc(-c2nnc(NC(=O)c3ccc(OCC(C)C)cc3)s2)cc1 ZINC000526052438 570683177 /nfs/dbraw/zinc/68/31/77/570683177.db2.gz OKRJVBUGKKOTFH-UHFFFAOYSA-N 0 0 383.473 4.501 50 0 GJAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)s1 ZINC000012579002 570683562 /nfs/dbraw/zinc/68/35/62/570683562.db2.gz FYMVZBBAHCYWMB-QGZVFWFLSA-N 0 0 391.492 4.839 50 0 GJAARN Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)c1cccc2ncccc21 ZINC000055133111 570684713 /nfs/dbraw/zinc/68/47/13/570684713.db2.gz SIELFECYUGVSPK-UHFFFAOYSA-N 0 0 376.847 4.694 50 0 GJAARN CSc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1 ZINC000169775687 570684748 /nfs/dbraw/zinc/68/47/48/570684748.db2.gz VUAWLFHPVGFIJZ-UHFFFAOYSA-N 0 0 375.457 4.528 50 0 GJAARN Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)CCS1 ZINC000219301218 570686648 /nfs/dbraw/zinc/68/66/48/570686648.db2.gz AIAOVNOAAIFWTO-CQSZACIVSA-N 0 0 387.979 4.579 50 0 GJAARN COc1ccccc1N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000055292160 570690336 /nfs/dbraw/zinc/69/03/36/570690336.db2.gz LBMFQQRDEDWZCB-UHFFFAOYSA-N 0 0 388.511 4.596 50 0 GJAARN Cc1cc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)c3c(C)noc3n2)c(C)o1 ZINC000012627800 570691896 /nfs/dbraw/zinc/69/18/96/570691896.db2.gz FOSJBIQSGOYBQZ-UHFFFAOYSA-N 0 0 387.399 4.537 50 0 GJAARN CC[C@@H](Sc1nncn2c3ccoc3cc12)C(=O)Nc1cc(C)ccc1C ZINC000006893999 570693434 /nfs/dbraw/zinc/69/34/34/570693434.db2.gz ODYRQVUKISOWKY-GOSISDBHSA-N 0 0 380.473 4.602 50 0 GJAARN CN(CCCSc1ccccc1)C(=O)c1ccc(CSc2ncccn2)o1 ZINC000055384903 570693379 /nfs/dbraw/zinc/69/33/79/570693379.db2.gz CQBPYWMPILLBMN-UHFFFAOYSA-N 0 0 399.541 4.616 50 0 GJAARN CC[C@H](Sc1nnc(C)n2c3cc(C)oc3cc12)C(=O)Nc1ccccc1F ZINC000006894185 570693762 /nfs/dbraw/zinc/69/37/62/570693762.db2.gz MEAIPEPXIHRVAK-SFHVURJKSA-N 0 0 398.463 4.741 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)cc1 ZINC000006894446 570693782 /nfs/dbraw/zinc/69/37/82/570693782.db2.gz DMQVKQZKGSMNCF-UHFFFAOYSA-N 0 0 391.423 4.940 50 0 GJAARN O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc(F)cc1F ZINC000004355615 570694250 /nfs/dbraw/zinc/69/42/50/570694250.db2.gz BHJIANGWHVTHQU-UHFFFAOYSA-N 0 0 391.830 4.806 50 0 GJAARN CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(C)c(F)c3)nn2)cc1 ZINC000004355992 570694526 /nfs/dbraw/zinc/69/45/26/570694526.db2.gz CSSTZQJUDSABSM-UHFFFAOYSA-N 0 0 397.475 4.721 50 0 GJAARN O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(F)cc1Cl ZINC000207965336 570695489 /nfs/dbraw/zinc/69/54/89/570695489.db2.gz WSGIWDNAHPWGFM-INIZCTEOSA-N 0 0 381.881 4.614 50 0 GJAARN Cc1ccc2nc(NC(=O)CSc3ccc(-c4ccccc4)nn3)sc2c1 ZINC000004355420 570698230 /nfs/dbraw/zinc/69/82/30/570698230.db2.gz ZAFFKXFJFJRWLT-UHFFFAOYSA-N 0 0 392.509 4.793 50 0 GJAARN Cc1nc(C)c(-c2ccc(SCC(=O)c3ccc(Cl)cc3)nn2)s1 ZINC000004358393 570698232 /nfs/dbraw/zinc/69/82/32/570698232.db2.gz LWKKHEDXYXUCOT-UHFFFAOYSA-N 0 0 375.906 4.845 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccnc2Oc2ccccc2)cc1Cl ZINC000065111065 570699241 /nfs/dbraw/zinc/69/92/41/570699241.db2.gz ZNUULJWAQUWVIE-UHFFFAOYSA-N 0 0 385.876 4.962 50 0 GJAARN CCc1csc(-c2csc(S(=O)(=O)N(CC)c3ccccc3)c2)n1 ZINC000065116787 570700919 /nfs/dbraw/zinc/70/09/19/570700919.db2.gz DAMVUTXONCUQJV-UHFFFAOYSA-N 0 0 378.544 4.649 50 0 GJAARN Cc1ccc(SC2CCN(Cc3nc(CCc4ccccc4)no3)CC2)cc1 ZINC000012708215 570701038 /nfs/dbraw/zinc/70/10/38/570701038.db2.gz SKJLYDPJAOPQFI-UHFFFAOYSA-N 0 0 393.556 4.920 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000017178249 570701577 /nfs/dbraw/zinc/70/15/77/570701577.db2.gz RVRPFHMJOZALBW-UHFFFAOYSA-N 0 0 392.405 4.810 50 0 GJAARN CCC[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000060368303 570703384 /nfs/dbraw/zinc/70/33/84/570703384.db2.gz DVVNRJVFTVGMAE-IUODEOHRSA-N 0 0 388.430 4.576 50 0 GJAARN Cc1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)n1-c1ccccc1C ZINC000057981370 570705053 /nfs/dbraw/zinc/70/50/53/570705053.db2.gz DQPLXNUJJLZSLP-UHFFFAOYSA-N 0 0 390.915 4.902 50 0 GJAARN COc1ccc(C)cc1NCCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000058022980 570707421 /nfs/dbraw/zinc/70/74/21/570707421.db2.gz VXDIHZPROOHWRT-JOCHJYFZSA-N 0 0 398.503 4.912 50 0 GJAARN COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000032623671 570708198 /nfs/dbraw/zinc/70/81/98/570708198.db2.gz WHPHOXBFBQBPOW-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN CCN(CCC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000058140910 570710458 /nfs/dbraw/zinc/71/04/58/570710458.db2.gz NMMARUFCIBFXFK-UHFFFAOYSA-N 0 0 377.366 4.613 50 0 GJAARN Cc1cccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccccc3)C(=O)O2)c1 ZINC000001082859 570712033 /nfs/dbraw/zinc/71/20/33/570712033.db2.gz KSNHYMZMRLYRNB-HMMYKYKNSA-N 0 0 383.403 4.559 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000012787680 570712824 /nfs/dbraw/zinc/71/28/24/570712824.db2.gz LXCDKFHDBHHDQU-SFHVURJKSA-N 0 0 388.467 4.504 50 0 GJAARN COc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000058165248 570713335 /nfs/dbraw/zinc/71/33/35/570713335.db2.gz WJYTWBIDZCMXIR-QGZVFWFLSA-N 0 0 376.456 4.777 50 0 GJAARN Cc1ccccc1CN(C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012792239 570714359 /nfs/dbraw/zinc/71/43/59/570714359.db2.gz FEHZOXPLFYASII-CQSZACIVSA-N 0 0 379.485 4.746 50 0 GJAARN CCCn1cc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000065156625 570714636 /nfs/dbraw/zinc/71/46/36/570714636.db2.gz CGJIWNDUNIPFDR-UHFFFAOYSA-N 0 0 390.409 4.829 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3ccc(Br)cc23)cc1 ZINC000012794199 570715231 /nfs/dbraw/zinc/71/52/31/570715231.db2.gz DNXSAZRLJRXNRZ-LJQANCHMSA-N 0 0 399.288 4.916 50 0 GJAARN COc1ccc(-c2ncc(C(=O)Nc3cccc(C)c3)c(-c3ccncc3)n2)cc1 ZINC000065153932 570716786 /nfs/dbraw/zinc/71/67/86/570716786.db2.gz UUJOPVFIQWWEQA-UHFFFAOYSA-N 0 0 396.450 4.775 50 0 GJAARN Cc1c(F)cccc1NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153700 570716851 /nfs/dbraw/zinc/71/68/51/570716851.db2.gz XJUUMXDRUKWIQG-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000012798929 570717207 /nfs/dbraw/zinc/71/72/07/570717207.db2.gz IVTCWUDGVUPTGK-CQSZACIVSA-N 0 0 386.904 4.795 50 0 GJAARN Cc1c(C(=O)Nc2cc(F)ccc2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000006947995 570718106 /nfs/dbraw/zinc/71/81/06/570718106.db2.gz TWKZKAHJGJAPGQ-UHFFFAOYSA-N 0 0 398.507 4.998 50 0 GJAARN O=C(NCCc1ccc(C(F)(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000017918978 570719115 /nfs/dbraw/zinc/71/91/15/570719115.db2.gz ZRQDEUJBWVRNDV-UHFFFAOYSA-N 0 0 391.418 4.526 50 0 GJAARN COc1ccc(-c2ncccc2CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000065171187 570720148 /nfs/dbraw/zinc/72/01/48/570720148.db2.gz MZQKCLCPOWNMCM-UHFFFAOYSA-N 0 0 386.373 4.706 50 0 biogenic GJAARN Cc1ccc(F)cc1NC(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165247 570720932 /nfs/dbraw/zinc/72/09/32/570720932.db2.gz USLMYRJHJBILPS-UHFFFAOYSA-N 0 0 382.464 4.505 50 0 GJAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1c(F)cccc1Cl ZINC000004375392 570721206 /nfs/dbraw/zinc/72/12/06/570721206.db2.gz VGUAJSRTDNUFTG-UHFFFAOYSA-N 0 0 378.831 4.714 50 0 GJAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000004375430 570721284 /nfs/dbraw/zinc/72/12/84/570721284.db2.gz PPSUOAUBAQKZBU-UHFFFAOYSA-N 0 0 384.520 4.824 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)[C@@H](SCc2ccccc2)C(C)C)c(OC)c1 ZINC000058306774 570725840 /nfs/dbraw/zinc/72/58/40/570725840.db2.gz SDSDTYMSTRRWTF-IERDGZPVSA-N 0 0 387.545 4.839 50 0 GJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccccc1F ZINC000065194824 570726216 /nfs/dbraw/zinc/72/62/16/570726216.db2.gz UFOVHNZMPLABRB-UHFFFAOYSA-N 0 0 396.447 4.661 50 0 GJAARN Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)Nc1ccc(C)cc1F ZINC000065194936 570727521 /nfs/dbraw/zinc/72/75/21/570727521.db2.gz CRSAXOFXQCRYQH-UHFFFAOYSA-N 0 0 394.406 4.501 50 0 GJAARN Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)s1 ZINC000058341987 570727653 /nfs/dbraw/zinc/72/76/53/570727653.db2.gz MAJKQSBDSRBGDB-OAHLLOKOSA-N 0 0 397.327 4.997 50 0 GJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cc(C)ccc3C)nn2)s1 ZINC000004392176 570727753 /nfs/dbraw/zinc/72/77/53/570727753.db2.gz JFHNZHOSNSLNDS-UHFFFAOYSA-N 0 0 384.530 4.565 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12 ZINC000058366297 570729258 /nfs/dbraw/zinc/72/92/58/570729258.db2.gz ZPSJNWGGBGWEPP-UHFFFAOYSA-N 0 0 392.846 4.735 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccco1)Cc1ccccc1 ZINC000032664849 570730900 /nfs/dbraw/zinc/73/09/00/570730900.db2.gz ISPFDOCATGVEHY-UHFFFAOYSA-N 0 0 398.890 4.891 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c(Cl)c2)CCCC4)cc1 ZINC000000940636 570731576 /nfs/dbraw/zinc/73/15/76/570731576.db2.gz QCXUDVUWQYQBFR-UHFFFAOYSA-N 0 0 391.876 4.774 50 0 GJAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3Cl)C2=O)cc1Cl ZINC000000941245 570731783 /nfs/dbraw/zinc/73/17/83/570731783.db2.gz YPBJUXVTASACRJ-UHFFFAOYSA-N 0 0 381.646 4.738 50 0 GJAARN O=c1cc(-c2cc(Br)cc3c2OCOC3)oc2ccc(Cl)cc12 ZINC000000940970 570731801 /nfs/dbraw/zinc/73/18/01/570731801.db2.gz MADUWAYVCBCOOU-UHFFFAOYSA-N 0 0 393.620 4.742 50 0 GJAARN COc1ccc(NC(=O)N2CC=C(c3cn(C(C)C)c4ncccc34)CC2)cc1 ZINC000065211835 570732032 /nfs/dbraw/zinc/73/20/32/570732032.db2.gz SUFPIYOKVUHSCR-UHFFFAOYSA-N 0 0 390.487 4.947 50 0 GJAARN COc1ccc(CN(C)Cn2nc(Nc3ccccc3F)sc2=S)cc1 ZINC000012971297 570732974 /nfs/dbraw/zinc/73/29/74/570732974.db2.gz TZJCAZKJBXOCEI-UHFFFAOYSA-N 0 0 390.509 4.655 50 0 GJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(CC)cc1 ZINC000000949619 570735634 /nfs/dbraw/zinc/73/56/34/570735634.db2.gz OGOLNAWKGAKONG-UHFFFAOYSA-N 0 0 378.428 4.504 50 0 GJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 ZINC000007004114 570735704 /nfs/dbraw/zinc/73/57/04/570735704.db2.gz BLAXFPWAYUSJTJ-UHFFFAOYSA-N 0 0 386.430 4.998 50 0 aggregator GJAARN Cc1ccc(-c2nc(CN3c4cccc5cccc(c45)S3(=O)=O)cs2)cc1 ZINC000007005299 570736603 /nfs/dbraw/zinc/73/66/03/570736603.db2.gz CAPCERMMKAWTOL-UHFFFAOYSA-N 0 0 392.505 4.981 50 0 GJAARN C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl ZINC000012982864 570736766 /nfs/dbraw/zinc/73/67/66/570736766.db2.gz KQLCXUDCHMPGAT-LLVKDONJSA-N 0 0 392.311 4.932 50 0 GJAARN CC(C)Cn1cc(NC(=O)NCc2ccccc2Cl)c2ccccc2c1=O ZINC000007000978 570736966 /nfs/dbraw/zinc/73/69/66/570736966.db2.gz NYUUKBZIRVHESM-UHFFFAOYSA-N 0 0 383.879 4.633 50 0 GJAARN CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000012988169 570738113 /nfs/dbraw/zinc/73/81/13/570738113.db2.gz USUUMVIKOPAKFK-UHFFFAOYSA-N 0 0 381.375 4.564 50 0 GJAARN O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)Oc1ccccc1Cl ZINC000000956959 570738391 /nfs/dbraw/zinc/73/83/91/570738391.db2.gz XLRHWADGRKEQIB-OAHLLOKOSA-N 0 0 394.132 4.769 50 0 GJAARN C[C@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012992439 570738435 /nfs/dbraw/zinc/73/84/35/570738435.db2.gz KBTYZWYRZQVUPD-OAHLLOKOSA-N 0 0 375.497 4.845 50 0 GJAARN Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1C ZINC000000954899 570740052 /nfs/dbraw/zinc/74/00/52/570740052.db2.gz HZXNCQPYBKIWPX-VQHVLOKHSA-N 0 0 378.255 4.805 50 0 GJAARN Cc1cc(Cl)ccc1Nc1ncnc2ccc(I)cc21 ZINC000000955110 570740102 /nfs/dbraw/zinc/74/01/02/570740102.db2.gz OAPUNCWBVSRGPA-UHFFFAOYSA-N 0 0 395.631 4.940 50 0 GJAARN C[C@@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000032687950 570740748 /nfs/dbraw/zinc/74/07/48/570740748.db2.gz UAGIKDGRBFACCQ-CYBMUJFWSA-N 0 0 377.893 4.591 50 0 GJAARN COc1ccc(NCN2C(=O)S/C(=C\c3ccc(SC)cc3)C2=O)cc1 ZINC000000971671 570740837 /nfs/dbraw/zinc/74/08/37/570740837.db2.gz FHHVIVLNAVRNDJ-BOPFTXTBSA-N 0 0 386.498 4.523 50 0 GJAARN COCc1cc(C)nc2sc(C(=O)Nc3ccc(Cl)cc3Cl)c(N)c21 ZINC000000974258 570741280 /nfs/dbraw/zinc/74/12/80/570741280.db2.gz TXWAZUNEYMNYIP-UHFFFAOYSA-N 0 0 396.299 4.892 50 0 GJAARN C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCOc1ccc(Cl)cc1 ZINC000013041616 570743821 /nfs/dbraw/zinc/74/38/21/570743821.db2.gz GNFGWURNDJRGHG-MRXNPFEDSA-N 0 0 382.891 4.831 50 0 GJAARN CC[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)c2ccccc2S1 ZINC000033059361 570744244 /nfs/dbraw/zinc/74/42/44/570744244.db2.gz HVLNECFXGRRROY-OAHLLOKOSA-N 0 0 391.334 4.779 50 0 GJAARN CC[C@@H]1CN(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2S1 ZINC000033059355 570744295 /nfs/dbraw/zinc/74/42/95/570744295.db2.gz BYPFLVSGFSLPOI-CQSZACIVSA-N 0 0 376.909 4.678 50 0 GJAARN CCc1cccc(NC(=O)c2sc(-c3cn(C)c4ncccc34)nc2C)c1 ZINC000065240823 570744913 /nfs/dbraw/zinc/74/49/13/570744913.db2.gz OGYHQUIOJXPVHS-UHFFFAOYSA-N 0 0 376.485 4.820 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)NCc3ccc(F)cc3)s2)c2cccnc21 ZINC000065240896 570744979 /nfs/dbraw/zinc/74/49/79/570744979.db2.gz CEQXRNQVNPXTFU-UHFFFAOYSA-N 0 0 394.475 4.557 50 0 GJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)Nc1cc(F)ccc1C ZINC000065240845 570744997 /nfs/dbraw/zinc/74/49/97/570744997.db2.gz JMXNKENLFFBPCH-UHFFFAOYSA-N 0 0 380.448 4.705 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000001000831 570744980 /nfs/dbraw/zinc/74/49/80/570744980.db2.gz IKAZWZNOXJMROM-KRWDZBQOSA-N 0 0 397.906 4.916 50 0 GJAARN Cn1c(=S)n(CN2CC[C@H]3CCCC[C@@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000013071834 570745208 /nfs/dbraw/zinc/74/52/08/570745208.db2.gz SUUKMYRYSFDUBL-GDBMZVCRSA-N 0 0 376.957 4.741 50 0 GJAARN Cc1c(F)cccc1NC(=O)c1ccc2c(c1)Sc1ncccc1C(=O)N2C ZINC000065241311 570745361 /nfs/dbraw/zinc/74/53/61/570745361.db2.gz LUIMHVBUABCAHG-UHFFFAOYSA-N 0 0 393.443 4.523 50 0 GJAARN CCOc1ccc(CN(C)Cn2nc3c(Cl)cc(Cl)cn3c2=S)cc1 ZINC000013073734 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CCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3c(C)cc(C)cc3n2)cn1 ZINC000063845693 570750884 /nfs/dbraw/zinc/75/08/84/570750884.db2.gz DUKCXCWGZIMOSW-KRWDZBQOSA-N 0 0 376.504 4.750 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c1 ZINC000036616277 570751983 /nfs/dbraw/zinc/75/19/83/570751983.db2.gz NZNABPDBDLCPKZ-UHFFFAOYSA-N 0 0 398.466 4.551 50 0 GJAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 ZINC000063883671 570752808 /nfs/dbraw/zinc/75/28/08/570752808.db2.gz FIYAYVLPLMJYOQ-SFHVURJKSA-N 0 0 376.504 4.657 50 0 GJAARN CCc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000036616735 570753391 /nfs/dbraw/zinc/75/33/91/570753391.db2.gz CYQFBZRWKPEBHX-UHFFFAOYSA-N 0 0 388.446 4.991 50 0 GJAARN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12 ZINC000036616898 570753773 /nfs/dbraw/zinc/75/37/73/570753773.db2.gz BKPBXTWAIDTJCF-MRXNPFEDSA-N 0 0 396.494 4.844 50 0 GJAARN COc1ccccc1-c1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(C(C)C)c2n1 ZINC000036617066 570753927 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O=C(NCc1cncc(-c2ccsc2)c1)c1cccc(Oc2ccccn2)c1 ZINC000206947960 570756691 /nfs/dbraw/zinc/75/66/91/570756691.db2.gz WKZOROVPJYUGCC-UHFFFAOYSA-N 0 0 387.464 4.927 50 0 GJAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3)c12 ZINC000036613276 570757170 /nfs/dbraw/zinc/75/71/70/570757170.db2.gz URHFJKNPFLTXMZ-UHFFFAOYSA-N 0 0 382.467 4.918 50 0 GJAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000032718937 570758411 /nfs/dbraw/zinc/75/84/11/570758411.db2.gz DQJLQUILTULJFL-MRXNPFEDSA-N 0 0 383.831 4.512 50 0 GJAARN O=C(Nc1ccccc1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915473 570758639 /nfs/dbraw/zinc/75/86/39/570758639.db2.gz LXJHPNHVNBTCCG-UHFFFAOYSA-N 0 0 385.467 4.776 50 0 GJAARN Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2)cc1 ZINC000013563777 570758840 /nfs/dbraw/zinc/75/88/40/570758840.db2.gz VEAIKLMQJOILRU-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN CCN1c2ccc(NC(=O)c3ccccc3F)cc2Sc2ncccc2C1=O ZINC000065258453 570760085 /nfs/dbraw/zinc/76/00/85/570760085.db2.gz 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Cc1cc(C(=O)CSc2nnc(-c3ccccc3C)n2C)c(C)c(C)c1C ZINC000005859289 570797719 /nfs/dbraw/zinc/79/77/19/570797719.db2.gz UHWLLJZJNLYPQD-UHFFFAOYSA-N 0 0 379.529 4.999 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000065320532 570797978 /nfs/dbraw/zinc/79/79/78/570797978.db2.gz PPZITJPXWIFCHU-GOSISDBHSA-N 0 0 381.863 4.984 50 0 GJAARN C[C@@H]1CCN(C(=O)COC(=O)c2c(F)cccc2Cl)c2ccccc2S1 ZINC000005872083 570799814 /nfs/dbraw/zinc/79/98/14/570799814.db2.gz ZDVYRHNJPITHLO-GFCCVEGCSA-N 0 0 393.867 4.553 50 0 GJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCCc1ccccc1 ZINC000005918991 570803633 /nfs/dbraw/zinc/80/36/33/570803633.db2.gz HNKVWNYMNWOVBZ-UHFFFAOYSA-N 0 0 388.492 4.729 50 0 GJAARN COc1ccc(-c2nc(C(=O)N(C)[C@H](C)c3ccccc3)cs2)cc1OC ZINC000018124947 570804490 /nfs/dbraw/zinc/80/44/90/570804490.db2.gz PNRBFRQVWRSKAQ-CQSZACIVSA-N 0 0 382.485 4.661 50 0 GJAARN Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000032771756 570805493 /nfs/dbraw/zinc/80/54/93/570805493.db2.gz 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CCOc1c2cc(NC(=O)Cc3ccccc3C)ccc2sc1C(=O)OC ZINC000033123418 570815282 /nfs/dbraw/zinc/81/52/82/570815282.db2.gz XWKIINWQVYEIJO-UHFFFAOYSA-N 0 0 383.469 4.576 50 0 GJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc(Cl)nc3)cc12 ZINC000101222155 570816590 /nfs/dbraw/zinc/81/65/90/570816590.db2.gz HBKADJCGXJHRHX-UHFFFAOYSA-N 0 0 380.879 4.834 50 0 GJAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c1 ZINC000007236835 570819541 /nfs/dbraw/zinc/81/95/41/570819541.db2.gz JBIZGPOTNZSQJA-INIZCTEOSA-N 0 0 380.513 4.958 50 0 GJAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000060461668 570820293 /nfs/dbraw/zinc/82/02/93/570820293.db2.gz INPGPZKXLXYTPJ-RTBURBONSA-N 0 0 398.572 4.883 50 0 GJAARN COc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2cccnc2)c(OC)c1 ZINC000033130716 570821125 /nfs/dbraw/zinc/82/11/25/570821125.db2.gz UCHUVWWTILEMJE-UHFFFAOYSA-N 0 0 388.427 4.891 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1F)c1ccccc1OCc1cn2ccccc2n1 ZINC000012506716 570822273 /nfs/dbraw/zinc/82/22/73/570822273.db2.gz 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Cc1cc(C)c(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c(C)c1 ZINC000033172669 570837056 /nfs/dbraw/zinc/83/70/56/570837056.db2.gz FEQVZBGNLPXLFL-UHFFFAOYSA-N 0 0 394.475 4.906 50 0 GJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(C)c3C)c2c1 ZINC000033172552 570837100 /nfs/dbraw/zinc/83/71/00/570837100.db2.gz PAGQYQQSLIASBR-UHFFFAOYSA-N 0 0 376.485 4.767 50 0 GJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3cc4ccccc4o3)co2)n1 ZINC000004518850 570837359 /nfs/dbraw/zinc/83/73/59/570837359.db2.gz VODZLRPYYDNNSW-UHFFFAOYSA-N 0 0 399.449 4.662 50 0 GJAARN Cc1ccc(C)c(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3)C(=O)C2)c1 ZINC000101916195 570837558 /nfs/dbraw/zinc/83/75/58/570837558.db2.gz WYQLMEOGDAKRBO-UHFFFAOYSA-N 0 0 397.478 4.800 50 0 GJAARN Cc1nc2sc3c(c2c(SCC(=O)N2c4ccccc4C[C@H]2C)n1)CCC3 ZINC000003220327 570839002 /nfs/dbraw/zinc/83/90/02/570839002.db2.gz PPIFFGFESOGYJO-GFCCVEGCSA-N 0 0 395.553 4.558 50 0 GJAARN S=C(Nc1cccc(NC(=S)NC2CCCCC2)c1)NC1CCCCC1 ZINC000003231685 570839706 /nfs/dbraw/zinc/83/97/06/570839706.db2.gz 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GJAARN CCOC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000015021659 570872391 /nfs/dbraw/zinc/87/23/91/570872391.db2.gz KXDKACKOPKUCBU-UHFFFAOYSA-N 0 0 382.463 4.900 50 0 GJAARN O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](C1CCCCC1)Nc1ccccc1-2 ZINC000170614807 570872556 /nfs/dbraw/zinc/87/25/56/570872556.db2.gz PSLCUHUQSLPFRS-HXUWFJFHSA-N 0 0 376.435 4.616 50 0 GJAARN Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003498845 570872988 /nfs/dbraw/zinc/87/29/88/570872988.db2.gz RFLQBIWAWPHYCL-HNNXBMFYSA-N 0 0 380.517 4.632 50 0 GJAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2cccc(C)c2C)C1 ZINC000015071483 570876919 /nfs/dbraw/zinc/87/69/19/570876919.db2.gz WGNWVHBFDNEOMI-DEOSSOPVSA-N 0 0 394.515 4.723 50 0 GJAARN C[C@H](c1cccs1)N(C)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000015074888 570878355 /nfs/dbraw/zinc/87/83/55/570878355.db2.gz YICRYEHIHWNLMJ-GFCCVEGCSA-N 0 0 381.423 4.934 50 0 GJAARN O=C(c1ccc(Br)cc1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447581 570880028 /nfs/dbraw/zinc/88/00/28/570880028.db2.gz VZAGKPRAHRMQOE-UHFFFAOYSA-N 0 0 378.213 4.715 50 0 GJAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccccc3Cl)c2)C1 ZINC000033264103 570881872 /nfs/dbraw/zinc/88/18/72/570881872.db2.gz NKMSBKVKPZITLB-QGZVFWFLSA-N 0 0 385.895 4.501 50 0 GJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)C1 ZINC000033264295 570882347 /nfs/dbraw/zinc/88/23/47/570882347.db2.gz RHEDRMSFHOVSAB-GOSISDBHSA-N 0 0 399.922 4.890 50 0 GJAARN CC(C)n1c2ccc(C(=O)NC[C@H]3Cc4ccccc43)cc2nc1C(F)(F)F ZINC000170627190 570883059 /nfs/dbraw/zinc/88/30/59/570883059.db2.gz OLNCYCYULSNKKF-OAHLLOKOSA-N 0 0 387.405 4.706 50 0 GJAARN O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000170630640 570884290 /nfs/dbraw/zinc/88/42/90/570884290.db2.gz SDZZZXHCJKQTIB-QGZVFWFLSA-N 0 0 383.536 4.551 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2ccccc2CC1 ZINC000170629032 570884691 /nfs/dbraw/zinc/88/46/91/570884691.db2.gz SVINEOIHMWPFIN-UHFFFAOYSA-N 0 0 384.838 4.684 50 0 GJAARN Cc1occc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000032889011 570885886 /nfs/dbraw/zinc/88/58/86/570885886.db2.gz POOLYAWCPSZDRB-UHFFFAOYSA-N 0 0 378.306 4.704 50 0 GJAARN C[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1Cl ZINC000012601623 570887109 /nfs/dbraw/zinc/88/71/09/570887109.db2.gz AQEYBIXATSHDNW-ZDUSSCGKSA-N 0 0 396.903 4.691 50 0 GJAARN CN(C(=O)Nc1ccc(F)cc1F)[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012603527 570887226 /nfs/dbraw/zinc/88/72/26/570887226.db2.gz HTLQDUZYPQSMOK-QGZVFWFLSA-N 0 0 390.821 4.605 50 0 GJAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1Cl ZINC000012601620 570887357 /nfs/dbraw/zinc/88/73/57/570887357.db2.gz AQEYBIXATSHDNW-CYBMUJFWSA-N 0 0 396.903 4.691 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)s2)c1 ZINC000012603836 570887753 /nfs/dbraw/zinc/88/77/53/570887753.db2.gz YFZRJQUUZHMQNQ-IIAWOOMASA-N 0 0 390.578 4.623 50 0 GJAARN O=C(Nc1c(-c2ccccc2)nc2sccn21)c1ccc2ncsc2c1 ZINC000012604500 570888078 /nfs/dbraw/zinc/88/80/78/570888078.db2.gz NAEOKELYTUEMLD-UHFFFAOYSA-N 0 0 376.466 4.925 50 0 GJAARN Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1 ZINC000004563910 570890877 /nfs/dbraw/zinc/89/08/77/570890877.db2.gz ICVRWLPGAPZWGH-UHFFFAOYSA-N 0 0 391.496 4.650 50 0 GJAARN COc1ccc(SCCC(=O)Nc2nc3c(cc(F)cc3F)s2)cc1 ZINC000010219626 570892807 /nfs/dbraw/zinc/89/28/07/570892807.db2.gz FQMUBGBMRBSWAT-UHFFFAOYSA-N 0 0 380.441 4.704 50 0 GJAARN COc1cccc(CSc2nnc(-c3ccc(OCC(C)C)cc3)n2C)c1 ZINC000013325580 570895460 /nfs/dbraw/zinc/89/54/60/570895460.db2.gz QZWGGPOFIVSCEL-UHFFFAOYSA-N 0 0 383.517 4.818 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2nccnc2-c2nc3ccccc3s2)c(C)c1 ZINC000015583768 570898392 /nfs/dbraw/zinc/89/83/92/570898392.db2.gz SIGJVCOTTHUBLS-UHFFFAOYSA-N 0 0 388.496 4.642 50 0 GJAARN CCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000097151780 570900206 /nfs/dbraw/zinc/90/02/06/570900206.db2.gz PWUNGDZDRXYMIK-CQSZACIVSA-N 0 0 383.883 4.516 50 0 GJAARN COC(=O)c1cc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)ccc1F ZINC000032903647 570900381 /nfs/dbraw/zinc/90/03/81/570900381.db2.gz RJAVAAMYDGCHGM-UHFFFAOYSA-N 0 0 390.823 4.642 50 0 GJAARN O=C(NCc1ccco1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724655 570902841 /nfs/dbraw/zinc/90/28/41/570902841.db2.gz QUMJUIJZNAOCRW-JOCHJYFZSA-N 0 0 389.430 4.757 50 0 GJAARN O=C(Nc1cccnc1)c1cccnc1Sc1ccc(Br)cc1 ZINC000032904762 570902843 /nfs/dbraw/zinc/90/28/43/570902843.db2.gz ISNIEJCYIDWYTQ-UHFFFAOYSA-N 0 0 386.274 4.643 50 0 GJAARN Cc1cc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc(C)c1Cl ZINC000015832383 570906084 /nfs/dbraw/zinc/90/60/84/570906084.db2.gz NJOQSKQOUFXMBF-UHFFFAOYSA-N 0 0 386.904 4.776 50 0 GJAARN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000014609531 570906359 /nfs/dbraw/zinc/90/63/59/570906359.db2.gz IKLLSUKDQALFJS-UHFFFAOYSA-N 0 0 398.466 4.894 50 0 GJAARN C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O ZINC000004027827 570907867 /nfs/dbraw/zinc/90/78/67/570907867.db2.gz GWXDJKCRYNAAKC-HIOJCNTLSA-N 0 0 396.502 4.593 50 0 biogenic GJAARN Cc1ccc2nc(C)cc(C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)c2c1 ZINC000089657509 570908421 /nfs/dbraw/zinc/90/84/21/570908421.db2.gz GCQANJQBPGDOKZ-FGZHOGPDSA-N 0 0 378.447 4.641 50 0 GJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2cc(C)ccc2C)[C@H](C)C(C)C)n1 ZINC000104961984 570910671 /nfs/dbraw/zinc/91/06/71/570910671.db2.gz DIXRHJWBHTZFDS-RBUKOAKNSA-N 0 0 385.552 4.866 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022590193 570911608 /nfs/dbraw/zinc/91/16/08/570911608.db2.gz PAFCEUPVYXZJSG-UHFFFAOYSA-N 0 0 392.449 4.512 50 0 GJAARN Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2ccccc2c(=O)n1C ZINC000016840552 570912936 /nfs/dbraw/zinc/91/29/36/570912936.db2.gz BVMDSUYFKAQOFT-UHFFFAOYSA-N 0 0 397.887 4.843 50 0 GJAARN O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1Br ZINC000016090246 570913741 /nfs/dbraw/zinc/91/37/41/570913741.db2.gz MXLJHUKCWYGAKR-UHFFFAOYSA-N 0 0 389.270 4.884 50 0 GJAARN COc1ccccc1-c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1 ZINC000005736403 570914131 /nfs/dbraw/zinc/91/41/31/570914131.db2.gz FDYJUAZPHVGSNZ-QGZVFWFLSA-N 0 0 381.501 4.604 50 0 GJAARN CC[C@@H](C)N(Cc1ccccc1C)C(=O)c1ccc(-c2cncc(=O)[nH]2)cc1 ZINC000534653896 570914990 /nfs/dbraw/zinc/91/49/90/570914990.db2.gz WHQJJKKXBJQZMR-QGZVFWFLSA-N 0 0 375.472 4.599 50 0 GJAARN CC[C@@H](NC(=O)c1ccc(-c2cc(C)c(C)[nH]c2=O)cc1)c1ccc(C)cn1 ZINC000534653891 570915095 /nfs/dbraw/zinc/91/50/95/570915095.db2.gz SXWBICOKLPUBGB-HXUWFJFHSA-N 0 0 375.472 4.656 50 0 GJAARN CC[C@H](C)N(Cc1ccccc1C)C(=O)c1ccc(-c2cncc(=O)[nH]2)cc1 ZINC000534653893 570915239 /nfs/dbraw/zinc/91/52/39/570915239.db2.gz WHQJJKKXBJQZMR-KRWDZBQOSA-N 0 0 375.472 4.599 50 0 GJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3)c3ccccn32)cc1C ZINC000004585203 570916263 /nfs/dbraw/zinc/91/62/63/570916263.db2.gz GDYNXQMNXVDPEE-UHFFFAOYSA-N 0 0 383.451 4.622 50 0 GJAARN O=C(OCc1nc(-c2ccsc2)no1)c1cccnc1Sc1ccccc1 ZINC000016907340 570917174 /nfs/dbraw/zinc/91/71/74/570917174.db2.gz JUDBYUYCBXUEBW-UHFFFAOYSA-N 0 0 395.465 4.701 50 0 GJAARN C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nnc(-c2ccccc2)o1 ZINC000016210600 570917675 /nfs/dbraw/zinc/91/76/75/570917675.db2.gz OOMJYXJZFWEJFK-VIFPVBQESA-N 0 0 378.215 4.544 50 0 GJAARN O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 ZINC000023142943 570918257 /nfs/dbraw/zinc/91/82/57/570918257.db2.gz KCQOECQMDFWOJE-AWEZNQCLSA-N 0 0 398.919 4.714 50 0 GJAARN COc1ccc2[nH]cc(C3=CCN(Cc4csc([C@@H](C)OC)n4)CC3)c2c1 ZINC000089913569 570919047 /nfs/dbraw/zinc/91/90/47/570919047.db2.gz MCFVFHCHTSSZJQ-CQSZACIVSA-N 0 0 383.517 4.630 50 0 GJAARN CC[C@@H](c1ccncc1)N(C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000089947964 570920748 /nfs/dbraw/zinc/92/07/48/570920748.db2.gz ATWXFXVXWCVFSE-LBPRGKRZSA-N 0 0 393.310 4.539 50 0 GJAARN CCOc1ccccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 ZINC000016312548 570922403 /nfs/dbraw/zinc/92/24/03/570922403.db2.gz UUCQAMDHZIGODX-UHFFFAOYSA-N 0 0 393.512 4.518 50 0 GJAARN CCCC1CCC(C2=N/C(=C\c3cc(OC)c(OC)cc3OC)C(=O)O2)CC1 ZINC000004588493 570923358 /nfs/dbraw/zinc/92/33/58/570923358.db2.gz MOSKCRWBLWRWMM-BOPFTXTBSA-N 0 0 387.476 4.615 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2Br)c1C ZINC000016549013 570927845 /nfs/dbraw/zinc/92/78/45/570927845.db2.gz OJXOZFZGYFLRPM-LBPRGKRZSA-N 0 0 380.307 4.960 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2Br)c1C ZINC000016549012 570927909 /nfs/dbraw/zinc/92/79/09/570927909.db2.gz OJXOZFZGYFLRPM-GFCCVEGCSA-N 0 0 380.307 4.960 50 0 GJAARN CCOc1ncccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C ZINC000004063069 570928184 /nfs/dbraw/zinc/92/81/84/570928184.db2.gz OGLOBSQSEXJJLR-UHFFFAOYSA-N 0 0 390.468 4.713 50 0 GJAARN CCOc1cccc2sc(NC(=O)c3ccc(Br)s3)nc21 ZINC000004070189 570928631 /nfs/dbraw/zinc/92/86/31/570928631.db2.gz ZQJKZGPQUSQCOF-UHFFFAOYSA-N 0 0 383.292 4.771 50 0 aggregator GJAARN COc1ccc([C@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 ZINC000012636287 570932541 /nfs/dbraw/zinc/93/25/41/570932541.db2.gz QOQRTSPBXMGVNH-HXUWFJFHSA-N 0 0 380.517 4.515 50 0 GJAARN CCCCc1noc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)n1 ZINC000012644090 570933881 /nfs/dbraw/zinc/93/38/81/570933881.db2.gz CVSAEAHFWQEYCY-UHFFFAOYSA-N 0 0 395.488 4.854 50 0 GJAARN CCCC(=O)Nc1nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000017079195 570939946 /nfs/dbraw/zinc/93/99/46/570939946.db2.gz NIOBQMIAPMZGPM-UHFFFAOYSA-N 0 0 387.892 4.870 50 0 GJAARN CCCN(Cc1ccc(C)cc1)Cn1ncn(-c2ccccc2OC)c1=S ZINC000032932596 570945756 /nfs/dbraw/zinc/94/57/56/570945756.db2.gz AYOVEXUEQYAPSF-UHFFFAOYSA-N 0 0 382.533 4.590 50 0 GJAARN C[C@@H]1CCCC[C@H]1NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000007582558 570946216 /nfs/dbraw/zinc/94/62/16/570946216.db2.gz PATFLAHMOJVBAF-CRAIPNDOSA-N 0 0 383.565 4.537 50 0 GJAARN Cc1nc2cccnc2n1-c1cc(C(=O)NC2CCCCCC2)ccc1Cl ZINC000032932140 570946783 /nfs/dbraw/zinc/94/67/83/570946783.db2.gz WOPLPYGHGCRIMY-UHFFFAOYSA-N 0 0 382.895 4.835 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1F ZINC000032933500 570947446 /nfs/dbraw/zinc/94/74/46/570947446.db2.gz PDJNBRZBAYURKZ-UHFFFAOYSA-N 0 0 376.431 4.710 50 0 GJAARN COc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000001239325 570947827 /nfs/dbraw/zinc/94/78/27/570947827.db2.gz ZIVCLQILTQZZNS-HXUWFJFHSA-N 0 0 379.847 4.594 50 0 GJAARN Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc2c(c1)OCCO2 ZINC000004733700 570948094 /nfs/dbraw/zinc/94/80/94/570948094.db2.gz ZTMHSRUWXGKVHO-UHFFFAOYSA-N 0 0 393.830 4.875 50 0 GJAARN O=C(c1ccco1)N(CC[C@H](c1ccco1)c1ccccc1)C(=O)c1ccco1 ZINC000002107140 570948768 /nfs/dbraw/zinc/94/87/68/570948768.db2.gz ZKOJDKQBJDQLME-SFHVURJKSA-N 0 0 389.407 4.970 50 0 biogenic GJAARN Cc1cccc2nc(-c3ccc(N(C)C)cc3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000004735088 570949028 /nfs/dbraw/zinc/94/90/28/570949028.db2.gz GQSJNQVQMMMSSQ-UHFFFAOYSA-N 0 0 386.455 4.848 50 0 GJAARN CCN(Cc1ccccc1)C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000033326350 570950094 /nfs/dbraw/zinc/95/00/94/570950094.db2.gz HCUDZICWZQKFMV-UHFFFAOYSA-N 0 0 380.513 4.622 50 0 GJAARN Fc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263615227 570952920 /nfs/dbraw/zinc/95/29/20/570952920.db2.gz BGORNZCVLLWAOB-GOSISDBHSA-N 0 0 396.809 4.664 50 0 GJAARN CCOc1ccccc1CNC(=O)c1csc(Nc2ccc(C)cc2C)n1 ZINC000033280747 570954355 /nfs/dbraw/zinc/95/43/55/570954355.db2.gz XTMWOUXUOKHWON-UHFFFAOYSA-N 0 0 381.501 4.832 50 0 GJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 ZINC000263617634 570954609 /nfs/dbraw/zinc/95/46/09/570954609.db2.gz OUMXJJUOOVVTTJ-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 ZINC000263618954 570955111 /nfs/dbraw/zinc/95/51/11/570955111.db2.gz WGJJHBSCCACXNM-LJQANCHMSA-N 0 0 392.846 4.833 50 0 GJAARN CCc1nc2ccccc2c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000033287306 570955407 /nfs/dbraw/zinc/95/54/07/570955407.db2.gz PKPOOCHPXYEJHE-UHFFFAOYSA-N 0 0 376.243 4.517 50 0 GJAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)c1 ZINC000263619556 570955828 /nfs/dbraw/zinc/95/58/28/570955828.db2.gz ZFGCZDKFIZWHDH-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1ccc(-c2cccc(-c3ccn(Cc4ccc5ccccc5n4)n3)c2)nn1 ZINC000019111991 570956559 /nfs/dbraw/zinc/95/65/59/570956559.db2.gz HUJXYIBJCFZJDP-UHFFFAOYSA-N 0 0 377.451 4.912 50 0 GJAARN CC(C)Cc1nc2sc3c(ncnc3NC[C@H]3CCCO3)c2c2c1CCCC2 ZINC000001301672 570956856 /nfs/dbraw/zinc/95/68/56/570956856.db2.gz CAHSMISNWQGXDN-CQSZACIVSA-N 0 0 396.560 4.908 50 0 GJAARN c1sc(Nc2ccccc2)nc1CSc1nnc(N2CCCC2)s1 ZINC000052912058 570956874 /nfs/dbraw/zinc/95/68/74/570956874.db2.gz FCOMIPWQLDMFJN-UHFFFAOYSA-N 0 0 375.548 4.631 50 0 GJAARN Brc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000003584854 570961050 /nfs/dbraw/zinc/96/10/50/570961050.db2.gz GVPDMXCOASGELA-UHFFFAOYSA-N 0 0 380.039 4.929 50 0 GJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1cccs1 ZINC000033290148 570961141 /nfs/dbraw/zinc/96/11/41/570961141.db2.gz LZIUYCREGOWUDS-UHFFFAOYSA-N 0 0 398.600 4.843 50 0 GJAARN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H](c2nnc(-c3ccccc3)o2)C1 ZINC000033290230 570961151 /nfs/dbraw/zinc/96/11/51/570961151.db2.gz DYPNVQIZSJDZFU-OAHLLOKOSA-N 0 0 385.826 4.549 50 0 GJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(=O)c2ccccc2o1 ZINC000004134648 570961738 /nfs/dbraw/zinc/96/17/38/570961738.db2.gz PMBKLMPTUXMURO-UHFFFAOYSA-N 0 0 382.375 4.854 50 0 GJAARN COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(Br)s1 ZINC000004134657 570961763 /nfs/dbraw/zinc/96/17/63/570961763.db2.gz YPSNJYBYPGRRJN-UHFFFAOYSA-N 0 0 396.287 4.764 50 0 GJAARN CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3cccs3)c2)n1 ZINC000033297747 570961969 /nfs/dbraw/zinc/96/19/69/570961969.db2.gz BXFOPLOUQPFVNS-UHFFFAOYSA-N 0 0 398.600 4.610 50 0 GJAARN Clc1ccccc1-c1csc(Cc2nc(-c3ccc4c(c3)OCO4)no2)n1 ZINC000033298229 570962623 /nfs/dbraw/zinc/96/26/23/570962623.db2.gz QQQVVZMAWHUQCR-UHFFFAOYSA-N 0 0 397.843 4.833 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(C)c(F)c3)cc2s1 ZINC000033298863 570963075 /nfs/dbraw/zinc/96/30/75/570963075.db2.gz CITOKKBIMSWDOS-UHFFFAOYSA-N 0 0 382.507 4.657 50 0 GJAARN O=C(NCCc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000012695670 570963757 /nfs/dbraw/zinc/96/37/57/570963757.db2.gz 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COc1ccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1 ZINC000002693087 209377870 /nfs/dbraw/zinc/37/78/70/209377870.db2.gz PFZVAOKAPOCZBH-UHFFFAOYSA-N 0 0 381.439 4.565 50 0 GJAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NCCC1=CCCCC1 ZINC000002628451 209372178 /nfs/dbraw/zinc/37/21/78/209372178.db2.gz CISDWYZGPWRWSF-AWEZNQCLSA-N 0 0 388.562 4.769 50 0 GJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccco1 ZINC000002387673 209360131 /nfs/dbraw/zinc/36/01/31/209360131.db2.gz QPQKIKXUOHRYIF-UHFFFAOYSA-N 0 0 390.896 4.559 50 0 GJAARN CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000002349217 209359214 /nfs/dbraw/zinc/35/92/14/209359214.db2.gz WVIKTHFAJJUBSS-KBMIEXCESA-N 0 0 381.840 4.817 50 0 GJAARN CCOC(=O)c1nn2c(nc(-c3ccc(C)cc3)cc2C(F)(F)F)c1Cl ZINC000002323654 209356864 /nfs/dbraw/zinc/35/68/64/209356864.db2.gz DLQCTXAMZUCYEL-UHFFFAOYSA-N 0 0 383.757 4.554 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2cc(OC)ccc2c1 ZINC000002287705 209355228 /nfs/dbraw/zinc/35/52/28/209355228.db2.gz IPSNATCTNZEPND-UHFFFAOYSA-N 0 0 383.469 4.956 50 0 GJAARN CCOc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OCC ZINC000002284633 209354653 /nfs/dbraw/zinc/35/46/53/209354653.db2.gz JIEGAZRFXKAQIL-ZHZULCJRSA-N 0 0 387.435 4.982 50 0 GJAARN CCOc1ccc(Nc2nc(Cl)nc(Nc3ccc(OCC)cc3)n2)cc1 ZINC000002283550 209354743 /nfs/dbraw/zinc/35/47/43/209354743.db2.gz USQCNPQNXWCSOB-UHFFFAOYSA-N 0 0 385.855 4.810 50 0 GJAARN CC(C)Cc1nc2sc3c(ncnc3N3CCCC3)c2c2c1COC(C)(C)C2 ZINC000002298598 209354536 /nfs/dbraw/zinc/35/45/36/209354536.db2.gz PIJCKHFNDYCUHP-UHFFFAOYSA-N 0 0 396.560 4.890 50 0 GJAARN COc1cc2c(cc1OC)CN(C(=O)c1cccc(Oc3ccccc3)c1)CC2 ZINC000002239403 209353095 /nfs/dbraw/zinc/35/30/95/209353095.db2.gz UPTURFGKFJYPTE-UHFFFAOYSA-N 0 0 389.451 4.695 50 0 GJAARN Cc1cccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)c1C ZINC000002251959 209353154 /nfs/dbraw/zinc/35/31/54/209353154.db2.gz FIURYKKNJIZYSN-UHFFFAOYSA-N 0 0 388.471 4.728 50 0 GJAARN O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccccc1 ZINC000002248156 209352578 /nfs/dbraw/zinc/35/25/78/209352578.db2.gz KIPKCUQYZOQNAN-UHFFFAOYSA-N 0 0 391.434 4.711 50 0 GJAARN Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000002186983 209350266 /nfs/dbraw/zinc/35/02/66/209350266.db2.gz LVULSZKYKCWUMQ-HXUWFJFHSA-N 0 0 393.487 4.551 50 0 biogenic,in-vitro GJAARN Cc1ccccc1NC(=S)NCCOc1ccccc1Cc1ccccc1 ZINC000002186505 209349225 /nfs/dbraw/zinc/34/92/25/209349225.db2.gz PYXSSVKKMRSPSM-UHFFFAOYSA-N 0 0 376.525 4.951 50 0 GJAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000002179087 209349102 /nfs/dbraw/zinc/34/91/02/209349102.db2.gz HKWVBDYKEXYDCN-UHFFFAOYSA-N 0 0 386.542 4.837 50 0 GJAARN O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccco1 ZINC000002179477 209348130 /nfs/dbraw/zinc/34/81/30/209348130.db2.gz URRNBOLLEGCQPS-UHFFFAOYSA-N 0 0 390.357 4.869 50 0 GJAARN C=Cc1ccc(COc2ccc3c(C)c(CCC(=O)OCC)c(=O)oc3c2)cc1 ZINC000002095445 209345877 /nfs/dbraw/zinc/34/58/77/209345877.db2.gz NATCZIDISJVTRU-UHFFFAOYSA-N 0 0 392.451 4.819 50 0 biogenic GJAARN 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CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1C ZINC000000686484 209259054 /nfs/dbraw/zinc/25/90/54/209259054.db2.gz CMDKBTZQXYCDEB-UHFFFAOYSA-N 0 0 380.517 4.621 50 0 GJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1 ZINC000000687433 209258725 /nfs/dbraw/zinc/25/87/25/209258725.db2.gz GRHMHYVCTBUVJR-UHFFFAOYSA-N 0 0 394.544 4.929 50 0 GJAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000000683294 209258867 /nfs/dbraw/zinc/25/88/67/209258867.db2.gz NBXXTTDGYIRTKZ-FOCLMDBBSA-N 0 0 386.451 4.990 50 0 GJAARN CCC[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 ZINC000000672718 209258020 /nfs/dbraw/zinc/25/80/20/209258020.db2.gz YLSJUMBQFKQHJX-NSHDSACASA-N 0 0 376.909 4.658 50 0 GJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2C)n1C ZINC000000648221 209255434 /nfs/dbraw/zinc/25/54/34/209255434.db2.gz XZSCCMXVNZQEAJ-UHFFFAOYSA-N 0 0 394.544 4.646 50 0 GJAARN Cc1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000000669082 209256655 /nfs/dbraw/zinc/25/66/55/209256655.db2.gz 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ZINC000009132217 209248089 /nfs/dbraw/zinc/24/80/89/209248089.db2.gz RUHXNEOAZHLWEY-MRXNPFEDSA-N 0 0 395.459 4.511 50 0 GJAARN Cc1ccc(-c2ccc3c(N)c(C(=O)N4C[C@H](C)C[C@@H](C)C4)sc3n2)cc1 ZINC000167256064 209245611 /nfs/dbraw/zinc/24/56/11/209245611.db2.gz FFYWQIOZKCMNJI-HUUCEWRRSA-N 0 0 379.529 4.972 50 0 GJAARN CCC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Cl)ccc2oc1=O ZINC000004339941 209231508 /nfs/dbraw/zinc/23/15/08/209231508.db2.gz YBERDALNEDTYOT-UHFFFAOYSA-N 0 0 396.782 4.535 50 0 biogenic GJAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(OC)cc1)c2=O ZINC000002400472 209229213 /nfs/dbraw/zinc/22/92/13/209229213.db2.gz TWEJCNBDNUTTGH-UHFFFAOYSA-N 0 0 381.428 4.618 50 0 biogenic GJAARN COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(F)cc3Cl)cc21 ZINC000001812381 209229530 /nfs/dbraw/zinc/22/95/30/209229530.db2.gz ZPZIOJIREDVXHU-UHFFFAOYSA-N 0 0 392.810 4.916 50 0 GJAARN COc1ccccc1-c1coc2cc(OC(=O)c3ccc(C)cc3)ccc2c1=O ZINC000000934286 209227944 /nfs/dbraw/zinc/22/79/44/209227944.db2.gz HJWUHWZISBIHOU-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 biogenic GJAARN O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)c(Cl)ccc2c1Cl ZINC000263618820 209227339 /nfs/dbraw/zinc/22/73/39/209227339.db2.gz VRVIHPNUXYQBLB-UHFFFAOYSA-N 0 0 392.185 4.792 50 0 GJAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 ZINC000263615563 209225788 /nfs/dbraw/zinc/22/57/88/209225788.db2.gz DAWWOGJHXWMGDV-LJQANCHMSA-N 0 0 392.846 4.833 50 0 GJAARN O=C(COC(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001164208 212060944 /nfs/dbraw/zinc/06/09/44/212060944.db2.gz HUNVQINENZHTKB-UHFFFAOYSA-N 0 0 388.044 4.796 50 0 GJAARN Fc1ccc(-c2nc3ccccn3c2Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000001412158 212060953 /nfs/dbraw/zinc/06/09/53/212060953.db2.gz CKJRLOZNLZOZPS-UHFFFAOYSA-N 0 0 388.446 4.721 50 0 GJAARN Cc1cc2c(c(SCc3ccc(F)cc3)n1)C(=O)N(c1ccccc1C)C2=O ZINC000001405636 212060106 /nfs/dbraw/zinc/06/01/06/212060106.db2.gz DKQIAFDSOUMODZ-UHFFFAOYSA-N 0 0 392.455 4.930 50 0 GJAARN Cc1nn(C)cc1-c1cccc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1 ZINC000299798310 212038398 /nfs/dbraw/zinc/03/83/98/212038398.db2.gz SEBYOYBLOGOFLT-RUZDIDTESA-N 0 0 387.527 4.835 50 0 GJAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c(OC)c1 ZINC000000633145 203843560 /nfs/dbraw/zinc/84/35/60/203843560.db2.gz BJYCGWASYKXGMZ-UHFFFAOYSA-N 0 0 399.450 4.809 50 0 GJAARN COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000000657327 203846010 /nfs/dbraw/zinc/84/60/10/203846010.db2.gz REXZXKNFDYLUPU-UHFFFAOYSA-N 0 0 375.468 4.656 50 0 GJAARN Fc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2CO1 ZINC000263617500 203820928 /nfs/dbraw/zinc/82/09/28/203820928.db2.gz OBWPQEVREOOIJN-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000001225927 203897994 /nfs/dbraw/zinc/89/79/94/203897994.db2.gz ZRKUNPONQAFOKU-QQNJPBSNSA-N 0 0 379.459 4.566 50 0 GJAARN CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1SC(=S)N1CCCC1 ZINC000000717477 203850628 /nfs/dbraw/zinc/85/06/28/203850628.db2.gz HAEVXMHZRYKDIX-UHFFFAOYSA-N 0 0 399.752 4.691 50 0 GJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000000812081 203855775 /nfs/dbraw/zinc/85/57/75/203855775.db2.gz NZOMVMTYYNATPF-UHFFFAOYSA-N 0 0 384.819 4.755 50 0 GJAARN CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1Cl ZINC000000814028 203856161 /nfs/dbraw/zinc/85/61/61/203856161.db2.gz CMCKAYREKHOSTL-UHFFFAOYSA-N 0 0 389.864 4.559 50 0 GJAARN CC(=O)Nc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 ZINC000000924091 203864917 /nfs/dbraw/zinc/86/49/17/203864917.db2.gz LSTQCMQSBHWXKZ-IBGZPJMESA-N 0 0 388.467 4.501 50 0 GJAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009625288 203865496 /nfs/dbraw/zinc/86/54/96/203865496.db2.gz LIGIHDMYRYTDQJ-UHFFFAOYSA-N 0 0 380.473 4.585 50 0 GJAARN Cc1cc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc(C)c1Cl ZINC000000943431 203867131 /nfs/dbraw/zinc/86/71/31/203867131.db2.gz BQIHWTHINHOGBJ-UHFFFAOYSA-N 0 0 398.842 4.536 50 0 GJAARN COc1ccc(OC)c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000000955024 203868509 /nfs/dbraw/zinc/86/85/09/203868509.db2.gz IWRCOBJVNGSUJE-XNTDXEJSSA-N 0 0 389.451 4.935 50 0 GJAARN COc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 ZINC000000993980 203871637 /nfs/dbraw/zinc/87/16/37/203871637.db2.gz ACFUBBJJETVQFH-ZDUSSCGKSA-N 0 0 387.501 4.699 50 0 GJAARN O=C(Oc1c(Br)cc(Br)c2cccnc21)c1ccco1 ZINC000001065427 203880038 /nfs/dbraw/zinc/88/00/38/203880038.db2.gz GMACNSWEPMXDPZ-UHFFFAOYSA-N 0 0 397.022 4.572 50 0 GJAARN CN(C)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000001097944 203883751 /nfs/dbraw/zinc/88/37/51/203883751.db2.gz XCTXWAJRHMTORV-UHFFFAOYSA-N 0 0 378.859 4.889 50 0 GJAARN Cc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccc(Cl)cc1 ZINC000001401489 203906000 /nfs/dbraw/zinc/90/60/00/203906000.db2.gz XCUYSRDBWBILBO-UHFFFAOYSA-N 0 0 381.650 4.788 50 0 GJAARN CSc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 ZINC000001411892 203907734 /nfs/dbraw/zinc/90/77/34/203907734.db2.gz PULLKCHXGCWCRF-HXUWFJFHSA-N 0 0 378.522 4.752 50 0 GJAARN Cc1cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)ccc1Br ZINC000002120063 203927894 /nfs/dbraw/zinc/92/78/94/203927894.db2.gz DXLCPTFUMIIQOV-UHFFFAOYSA-N 0 0 386.245 4.529 50 0 biogenic GJAARN CCCCSc1nnc(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1C ZINC000002185522 203930642 /nfs/dbraw/zinc/93/06/42/203930642.db2.gz OFJKSUROKYKIJE-UHFFFAOYSA-N 0 0 394.544 4.946 50 0 aggregator GJAARN CCSc1nc2sc3c(c2c(NC[C@@H]2CCCO2)n1)C[C@](C)(CC)OC3 ZINC000002410990 203942575 /nfs/dbraw/zinc/94/25/75/203942575.db2.gz MXLBJTPQFOXVDV-BUXKBTBVSA-N 0 0 393.578 4.636 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](Nc2ccccc2F)C(Cl)(Cl)Cl)cc1 ZINC000001231034 203898872 /nfs/dbraw/zinc/89/88/72/203898872.db2.gz LXGFOVYAJYIJAP-OAHLLOKOSA-N 0 0 375.658 4.672 50 0 GJAARN CCCc1cc(C(=O)OC)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 ZINC000002759525 203960524 /nfs/dbraw/zinc/96/05/24/203960524.db2.gz BOAVNAQIXMYRLZ-UHFFFAOYSA-N 0 0 395.908 4.937 50 0 GJAARN O=C(CCn1c2ccccc2oc1=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000002923444 203973366 /nfs/dbraw/zinc/97/33/66/203973366.db2.gz ASXGMNZKACKNFV-UHFFFAOYSA-N 0 0 382.363 4.891 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000002986562 203979532 /nfs/dbraw/zinc/97/95/32/203979532.db2.gz VRIBBMCJHFHSDS-UHFFFAOYSA-N 0 0 378.428 4.963 50 0 GJAARN CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000003154625 203987442 /nfs/dbraw/zinc/98/74/42/203987442.db2.gz WPBDBRBIMUFBSU-UHFFFAOYSA-N 0 0 387.435 4.987 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)/C=C/c2ccco2)c2ccccc2)c1 ZINC000003246985 203992080 /nfs/dbraw/zinc/99/20/80/203992080.db2.gz KAWBOEYPEGCFIX-GNNUASRNSA-N 0 0 375.424 4.833 50 0 GJAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000002616789 203951045 /nfs/dbraw/zinc/95/10/45/203951045.db2.gz ALWMYYJPJUTOMP-KRWDZBQOSA-N 0 0 383.662 4.614 50 0 GJAARN CCCn1nc(C(=O)Nc2cccc(Oc3ccccc3)c2)c2ccccc2c1=O ZINC000002629042 203951748 /nfs/dbraw/zinc/95/17/48/203951748.db2.gz XEHKLQMGQQVBGQ-UHFFFAOYSA-N 0 0 399.450 4.851 50 0 GJAARN COc1ccc2c(c1)nc(SCC(=O)N1CCCC1)cc2-c1ccccc1 ZINC000002624556 203951921 /nfs/dbraw/zinc/95/19/21/203951921.db2.gz HVRBGOUZRMBOQF-UHFFFAOYSA-N 0 0 378.497 4.625 50 0 GJAARN Cc1ccc2nc(NC(=O)CSc3nccn3-c3ccc(F)cc3)sc2c1 ZINC000002723640 203958308 /nfs/dbraw/zinc/95/83/08/203958308.db2.gz UJYSKBLMXCWREH-UHFFFAOYSA-N 0 0 398.488 4.660 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000004299447 204036595 /nfs/dbraw/zinc/03/65/95/204036595.db2.gz ZWAMGSZYQIWXEY-UHFFFAOYSA-N 0 0 396.293 4.872 50 0 GJAARN CCCCCc1ccc(S(=O)(=O)Nc2ncc(C)cc2Br)cc1 ZINC000004297062 204037092 /nfs/dbraw/zinc/03/70/92/204037092.db2.gz BXTMGGRLCOIKFQ-UHFFFAOYSA-N 0 0 397.338 4.686 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1Oc1ccc(Cl)cc1 ZINC000004334779 204039482 /nfs/dbraw/zinc/03/94/82/204039482.db2.gz LTNXZSHZHNYBRZ-UHFFFAOYSA-N 0 0 382.803 4.551 50 0 GJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)c3ccccc23)c1C ZINC000003327811 203998145 /nfs/dbraw/zinc/99/81/45/203998145.db2.gz YEBCYZMPWHBSOV-UHFFFAOYSA-N 0 0 385.847 4.877 50 0 GJAARN Cc1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000003332668 203998444 /nfs/dbraw/zinc/99/84/44/203998444.db2.gz TVJHAEFSNKPDRC-YUMQZZPRSA-N 0 0 376.334 4.511 50 0 GJAARN CCc1cccc2c(C(=O)[C@@H](Sc3nncn3C)c3ccccc3)c[nH]c21 ZINC000003372050 204003253 /nfs/dbraw/zinc/00/32/53/204003253.db2.gz GWNOGOWDGLPVIQ-FQEVSTJZSA-N 0 0 376.485 4.575 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2Cl)c1 ZINC000003390911 204004303 /nfs/dbraw/zinc/00/43/03/204004303.db2.gz KNICYOQWVHYLHZ-GFCCVEGCSA-N 0 0 379.287 4.655 50 0 GJAARN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccc(Cl)cc1 ZINC000003494105 204010287 /nfs/dbraw/zinc/01/02/87/204010287.db2.gz KVLJXOGAMUJGLA-UHFFFAOYSA-N 0 0 395.311 4.642 50 0 GJAARN O=C(Cc1cccc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000003565994 204013196 /nfs/dbraw/zinc/01/31/96/204013196.db2.gz JJGLFFSGUHXWFJ-UHFFFAOYSA-N 0 0 396.372 4.621 50 0 GJAARN CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3cccc(C)c3)c21 ZINC000003634646 204017064 /nfs/dbraw/zinc/01/70/64/204017064.db2.gz RDSOQSZRGQCDFN-UHFFFAOYSA-N 0 0 388.389 4.896 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000003770754 204019864 /nfs/dbraw/zinc/01/98/64/204019864.db2.gz AFBHTDBIDFYBCS-UHFFFAOYSA-N 0 0 388.423 4.835 50 0 GJAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2n1 ZINC000003894455 204021045 /nfs/dbraw/zinc/02/10/45/204021045.db2.gz NHDKNEZEVPYJTC-UHFFFAOYSA-N 0 0 376.504 4.708 50 0 GJAARN COc1ccc(CCc2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003877554 204021161 /nfs/dbraw/zinc/02/11/61/204021161.db2.gz ZKEPRUZLOHCYEA-UHFFFAOYSA-N 0 0 391.511 4.997 50 0 GJAARN CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F ZINC000004057686 204025413 /nfs/dbraw/zinc/02/54/13/204025413.db2.gz UFRDRUHXXDFRBJ-IBVKSMDESA-N 0 0 379.412 4.549 50 0 GJAARN COC(=O)c1sccc1NC(=O)CSc1cc(Cl)ccc1Cl ZINC000004091895 204026236 /nfs/dbraw/zinc/02/62/36/204026236.db2.gz ZNXCQDPJVDRPJT-UHFFFAOYSA-N 0 0 376.286 4.572 50 0 GJAARN O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004107278 204027758 /nfs/dbraw/zinc/02/77/58/204027758.db2.gz MNPXTRXFUMGQLK-UHFFFAOYSA-N 0 0 382.379 4.797 50 0 in-vitro GJAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OC(C)(C)C)cc1 ZINC000004145374 204028607 /nfs/dbraw/zinc/02/86/07/204028607.db2.gz OTCYTAAKADJDDH-UHFFFAOYSA-N 0 0 395.528 4.600 50 0 GJAARN O=C1N/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1F ZINC000004145435 204029395 /nfs/dbraw/zinc/02/93/95/204029395.db2.gz YAAIZQNTEYBBHG-LDADJPATSA-N 0 0 394.427 4.663 50 0 GJAARN CCN(CC)c1nc(N(c2ccccc2)c2ccccc2)nc(-n2cccc2)n1 ZINC000004189830 204031837 /nfs/dbraw/zinc/03/18/37/204031837.db2.gz WSMRFENLFDKOIG-UHFFFAOYSA-N 0 0 384.487 4.978 50 0 GJAARN O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000004392124 204043229 /nfs/dbraw/zinc/04/32/29/204043229.db2.gz HILWHQDTAMOEOH-UHFFFAOYSA-N 0 0 391.283 4.576 50 0 GJAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 ZINC000004699653 204065828 /nfs/dbraw/zinc/06/58/28/204065828.db2.gz ZQIMSFLMAGHNGI-UHFFFAOYSA-N 0 0 376.431 4.587 50 0 GJAARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000004736790 204071130 /nfs/dbraw/zinc/07/11/30/204071130.db2.gz NIVDNNADPNQQME-UHFFFAOYSA-N 0 0 385.423 4.562 50 0 GJAARN COc1ccc(-c2cc(=O)oc(-c3ccc(Cl)cc3Cl)n2)cc1OC ZINC000004754708 204072829 /nfs/dbraw/zinc/07/28/29/204072829.db2.gz KUHPELQSBNETPI-UHFFFAOYSA-N 0 0 378.211 4.693 50 0 GJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000004750112 204073544 /nfs/dbraw/zinc/07/35/44/204073544.db2.gz VDQVSOGPSRYSRB-UHFFFAOYSA-N 0 0 389.455 4.528 50 0 GJAARN COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)cc1 ZINC000004757723 204074770 /nfs/dbraw/zinc/07/47/70/204074770.db2.gz YPGPDVHKGYUGNJ-UHFFFAOYSA-N 0 0 377.341 4.922 50 0 aggregator GJAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000004757716 204074784 /nfs/dbraw/zinc/07/47/84/204074784.db2.gz AOVYZRBMSAUNRU-UHFFFAOYSA-N 0 0 385.389 4.734 50 0 GJAARN CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000004784241 204076175 /nfs/dbraw/zinc/07/61/75/204076175.db2.gz VEQQZGYSGAQWCE-AREMUKBSSA-N 0 0 399.490 4.565 50 0 GJAARN 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GJAARN O=C(OCC(F)(F)F)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 ZINC000040073400 205050133 /nfs/dbraw/zinc/05/01/33/205050133.db2.gz SGLXBZWHCHMGTP-UHFFFAOYSA-N 0 0 379.165 4.776 50 0 GJAARN CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000040104396 205052131 /nfs/dbraw/zinc/05/21/31/205052131.db2.gz PWYACHGZORXDAA-UHFFFAOYSA-N 0 0 397.372 4.857 50 0 GJAARN Cc1cccc(Cc2cnc(NC(=O)CCCc3nc(C(C)C)no3)s2)c1 ZINC000040130944 205056766 /nfs/dbraw/zinc/05/67/66/205056766.db2.gz HOBLWDCESJYLRH-UHFFFAOYSA-N 0 0 384.505 4.510 50 0 GJAARN CC(C)c1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)nn1C(C)(C)C ZINC000040143321 205058102 /nfs/dbraw/zinc/05/81/02/205058102.db2.gz SHSXLYVOKYTSDI-UHFFFAOYSA-N 0 0 394.519 4.923 50 0 GJAARN Cc1ccnc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1 ZINC000040143841 205058630 /nfs/dbraw/zinc/05/86/30/205058630.db2.gz RVBOTSSHFPVIIN-UHFFFAOYSA-N 0 0 384.233 4.592 50 0 GJAARN COc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000040152984 205059906 /nfs/dbraw/zinc/05/99/06/205059906.db2.gz 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O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(CN2CCOC2=O)c1 ZINC000048394642 205122481 /nfs/dbraw/zinc/12/24/81/205122481.db2.gz VMWOKEDFLFHUNX-UHFFFAOYSA-N 0 0 393.270 4.517 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4F)c3N)n2)c(C)c1 ZINC000049001883 205123555 /nfs/dbraw/zinc/12/35/55/205123555.db2.gz UUHKLGOEWGXJPV-UHFFFAOYSA-N 0 0 383.427 4.535 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2cc(F)cc(F)c2)n1 ZINC000049005318 205123818 /nfs/dbraw/zinc/12/38/18/205123818.db2.gz UKSUWWNAYYCMKN-CQSZACIVSA-N 0 0 396.441 4.975 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(C)c(F)c2)n1 ZINC000049004663 205123853 /nfs/dbraw/zinc/12/38/53/205123853.db2.gz HRZWMLVLJFJFKF-UHFFFAOYSA-N 0 0 378.451 4.755 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2Cl)c1OC ZINC000049550115 205127818 /nfs/dbraw/zinc/12/78/18/205127818.db2.gz IVGIRWGKIZWJGX-HNNXBMFYSA-N 0 0 397.862 4.726 50 0 GJAARN Cc1cc([C@@H](O)CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)o1 ZINC000085561703 205128904 /nfs/dbraw/zinc/12/89/04/205128904.db2.gz 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CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)c(C)s3)n2)cc1 ZINC000052773684 205133866 /nfs/dbraw/zinc/13/38/66/205133866.db2.gz QESOAFYHBRGPOC-LBPRGKRZSA-N 0 0 399.541 4.938 50 0 GJAARN C[S@](=O)c1ccc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000053726135 205137575 /nfs/dbraw/zinc/13/75/75/205137575.db2.gz GLGJLIFAASEXKX-RBISFHTESA-N 0 0 389.476 4.690 50 0 GJAARN Cc1cc(NC(=O)[C@@H](Nc2cccc(Br)c2)c2ccccc2)no1 ZINC000053780634 205138380 /nfs/dbraw/zinc/13/83/80/205138380.db2.gz RCDJJWPVVYPQFP-KRWDZBQOSA-N 0 0 386.249 4.537 50 0 GJAARN COc1ccc(NC(=O)[C@H](NCc2cccs2)c2ccccc2)cc1Cl ZINC000057024550 205152811 /nfs/dbraw/zinc/15/28/11/205152811.db2.gz QTECOGXLLVSZKI-LJQANCHMSA-N 0 0 386.904 4.880 50 0 GJAARN O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccccc1 ZINC000057486349 205157655 /nfs/dbraw/zinc/15/76/55/205157655.db2.gz XZGIBBXHDGSUAD-UHFFFAOYSA-N 0 0 385.286 4.881 50 0 GJAARN Clc1ccc(-c2nnc(COc3nnc(-c4ccccc4)o3)o2)c(Cl)c1 ZINC000063537000 205186003 /nfs/dbraw/zinc/18/60/03/205186003.db2.gz FPUZVLDRYZFXPL-UHFFFAOYSA-N 0 0 389.198 4.672 50 0 GJAARN Cc1cccc(C)c1OC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000063354184 205186310 /nfs/dbraw/zinc/18/63/10/205186310.db2.gz WNHYYEFZCMIMAN-LEWJYISDSA-N 0 0 382.479 4.551 50 0 GJAARN CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccc(C)c(C)c3n2)cn1 ZINC000063832770 205187497 /nfs/dbraw/zinc/18/74/97/205187497.db2.gz RWQKNBQNITZAKX-MRXNPFEDSA-N 0 0 376.504 4.750 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1OC)CO3 ZINC000058090595 205163887 /nfs/dbraw/zinc/16/38/87/205163887.db2.gz FHPOSGXJOWDNHA-UHFFFAOYSA-N 0 0 393.483 4.805 50 0 biogenic GJAARN Cc1cccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 ZINC000058155341 205164330 /nfs/dbraw/zinc/16/43/30/205164330.db2.gz JOOPEZNVMQFSIO-UHFFFAOYSA-N 0 0 382.529 4.812 50 0 GJAARN COc1ccc(N(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[C@H](C)C2CC2)cc1 ZINC000058158909 205166420 /nfs/dbraw/zinc/16/64/20/205166420.db2.gz RDRNTNYQTKTJSR-HXOBKFHXSA-N 0 0 395.499 4.698 50 0 GJAARN COc1ccccc1S(=O)(=O)N(c1ccc2[nH]ccc2c1)[C@@H](C)CC(C)C ZINC000058208752 205168721 /nfs/dbraw/zinc/16/87/21/205168721.db2.gz LFLNVWTWGUQDCT-INIZCTEOSA-N 0 0 386.517 4.806 50 0 GJAARN O=C(COc1ccc(Cl)c2cccnc12)N1CCC[C@H]1c1ccc(F)cc1 ZINC000058356964 205174132 /nfs/dbraw/zinc/17/41/32/205174132.db2.gz DWNCNUAKSUODFK-SFHVURJKSA-N 0 0 384.838 4.770 50 0 GJAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000059321194 205178056 /nfs/dbraw/zinc/17/80/56/205178056.db2.gz YHXUPDYVULZQCE-QGZVFWFLSA-N 0 0 384.476 4.562 50 0 GJAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC000060535619 205181768 /nfs/dbraw/zinc/18/17/68/205181768.db2.gz JUZBOYRCZNSKMX-UHFFFAOYSA-N 0 0 395.484 4.508 50 0 GJAARN CC(C)(C)c1ncc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)s1 ZINC000060791671 205182342 /nfs/dbraw/zinc/18/23/42/205182342.db2.gz AJTXNOQIPZKBNT-GOSISDBHSA-N 0 0 378.501 4.602 50 0 GJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2cccc(C)n2)cc1 ZINC000061721850 205182644 /nfs/dbraw/zinc/18/26/44/205182644.db2.gz QBOKIOCZKIVPFT-UHFFFAOYSA-N 0 0 390.468 4.565 50 0 GJAARN FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@@](F)(Cl)Br ZINC000063148544 205185455 /nfs/dbraw/zinc/18/54/55/205185455.db2.gz CNQPZAGOLNLMLO-VRKGVYIXSA-N 0 0 392.746 4.771 50 0 GJAARN Cc1nc2cc(-c3noc(C4CCCCC4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890514 205199090 /nfs/dbraw/zinc/19/90/90/205199090.db2.gz WVYQJRSDTWESSO-UHFFFAOYSA-N 0 0 378.476 4.918 50 0 GJAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920620 205201067 /nfs/dbraw/zinc/20/10/67/205201067.db2.gz WOSHXNUGDLMZBB-UHFFFAOYSA-N 0 0 395.893 4.520 50 0 GJAARN Cc1cccc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)c1 ZINC000064956020 205202423 /nfs/dbraw/zinc/20/24/23/205202423.db2.gz UFDVRWYCIGTYFG-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN O=C(CC1CCCC1)NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000064978128 205203084 /nfs/dbraw/zinc/20/30/84/205203084.db2.gz YRGUYPMCFWWAOQ-UHFFFAOYSA-N 0 0 396.918 4.739 50 0 GJAARN COc1ccc(Br)cc1CN1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000064984452 205204170 /nfs/dbraw/zinc/20/41/70/205204170.db2.gz PRKHDIMSGSAKSX-MRXNPFEDSA-N 0 0 379.298 4.906 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccccc2Cl)cc1 ZINC000064983925 205204490 /nfs/dbraw/zinc/20/44/90/205204490.db2.gz ZLRSSGKGQNSWEH-IBGZPJMESA-N 0 0 379.909 4.655 50 0 GJAARN CCOc1ccc(-c2cn3ccn(-c4cccc(Cl)c4C)c(=O)c3n2)cc1 ZINC000065060387 205208544 /nfs/dbraw/zinc/20/85/44/205208544.db2.gz YNYSZCSHKMZNOU-UHFFFAOYSA-N 0 0 379.847 4.513 50 0 GJAARN CCOc1ccc(NC(=O)CCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000065061266 205208772 /nfs/dbraw/zinc/20/87/72/205208772.db2.gz GMVHOEGAZILYCI-UHFFFAOYSA-N 0 0 385.467 4.971 50 0 GJAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)NC3CCCCC3)c2)cs1 ZINC000065060146 205209247 /nfs/dbraw/zinc/20/92/47/205209247.db2.gz ILVMGJGQBXVEIG-UHFFFAOYSA-N 0 0 378.563 4.853 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1Cl ZINC000065084996 205209632 /nfs/dbraw/zinc/20/96/32/205209632.db2.gz LMUXFSHARGDDNP-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4F)C3)n2)cc1 ZINC000065135494 205212056 /nfs/dbraw/zinc/21/20/56/205212056.db2.gz SOEGJHHAPAVBIE-KRWDZBQOSA-N 0 0 393.437 4.750 50 0 GJAARN Cc1sc2ncnc(SCC(=O)Nc3cccc(-c4cnco4)c3)c2c1C ZINC000065158190 205214260 /nfs/dbraw/zinc/21/42/60/205214260.db2.gz BWHRBURJTCTPAM-UHFFFAOYSA-N 0 0 396.497 4.694 50 0 GJAARN COc1ccccc1NC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1 ZINC000065153822 205214274 /nfs/dbraw/zinc/21/42/74/205214274.db2.gz ZLHPHZAZUKZFCD-UHFFFAOYSA-N 0 0 396.450 4.775 50 0 GJAARN COc1cccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)c1 ZINC000065153818 205214413 /nfs/dbraw/zinc/21/44/13/205214413.db2.gz NSXGAKRAYHVMOX-UHFFFAOYSA-N 0 0 396.450 4.775 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000064472838 205189765 /nfs/dbraw/zinc/18/97/65/205189765.db2.gz SIYOVPWAXPBETM-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN COc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(OC)cc32)c1 ZINC000064473995 205190214 /nfs/dbraw/zinc/19/02/14/205190214.db2.gz DAEUTJVDJNVEOF-UHFFFAOYSA-N 0 0 391.471 4.622 50 0 GJAARN Cc1ccc(F)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc21 ZINC000064471770 205190607 /nfs/dbraw/zinc/19/06/07/205190607.db2.gz AHFLAUQHCNYURU-UHFFFAOYSA-N 0 0 381.476 4.615 50 0 GJAARN O=C(c1cnc2ccccc2c1Nc1ccccc1Cl)N1CCSCC1 ZINC000064471729 205191030 /nfs/dbraw/zinc/19/10/30/205191030.db2.gz DYRRINFFGFUVEG-UHFFFAOYSA-N 0 0 383.904 4.821 50 0 GJAARN COc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc32)cc1 ZINC000064473986 205191046 /nfs/dbraw/zinc/19/10/46/205191046.db2.gz ROAODNZMXPAJOY-UHFFFAOYSA-N 0 0 375.472 4.922 50 0 GJAARN Cc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1C ZINC000064656511 205191473 /nfs/dbraw/zinc/19/14/73/205191473.db2.gz KPUDWXQCVHHISO-QGZVFWFLSA-N 0 0 397.521 4.672 50 0 GJAARN CC[C@@H]1Cn2c(C(=O)NC[C@H](C)c3ccccc3)cc3c2c(ccc3Cl)O1 ZINC000064658055 205192528 /nfs/dbraw/zinc/19/25/28/205192528.db2.gz HFRZHXFTSYAYRJ-GOEBONIOSA-N 0 0 382.891 4.999 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000064581017 205192809 /nfs/dbraw/zinc/19/28/09/205192809.db2.gz USRFDZSSLFFJPL-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(C)c(C)c3)n2)c1 ZINC000064747451 205194237 /nfs/dbraw/zinc/19/42/37/205194237.db2.gz JKULNAVWCOBRQO-IBGZPJMESA-N 0 0 392.459 4.731 50 0 GJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000064747453 205194549 /nfs/dbraw/zinc/19/45/49/205194549.db2.gz OACJKQVQWVGXLS-IBGZPJMESA-N 0 0 392.459 4.731 50 0 GJAARN Cc1ccccc1-c1noc(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000064818374 205196321 /nfs/dbraw/zinc/19/63/21/205196321.db2.gz DPLZZIUSAOKONP-UHFFFAOYSA-N 0 0 381.863 4.718 50 0 GJAARN O=C(c1ccccc1F)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848301 205198478 /nfs/dbraw/zinc/19/84/78/205198478.db2.gz XDDGJWOCNIDTMJ-UHFFFAOYSA-N 0 0 395.865 4.827 50 0 biogenic GJAARN CCn1cc(-c2nc(C(=O)Nc3cc(F)ccc3C)cs2)c2cccnc21 ZINC000065241089 205222151 /nfs/dbraw/zinc/22/21/51/205222151.db2.gz MHBGROSZRJDELS-UHFFFAOYSA-N 0 0 380.448 4.880 50 0 GJAARN O=C(Cn1cnc(-c2nc(-c3ccccc3)cs2)c1)Nc1c(F)cccc1F ZINC000065250494 205223390 /nfs/dbraw/zinc/22/33/90/205223390.db2.gz IMYHSZPKNIMFEQ-UHFFFAOYSA-N 0 0 396.422 4.591 50 0 GJAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)NC1CCCCCC1 ZINC000065297678 205227280 /nfs/dbraw/zinc/22/72/80/205227280.db2.gz DVKRLJFMLDJNRH-UHFFFAOYSA-N 0 0 387.549 4.724 50 0 GJAARN O=C(/C=C/c1ccsc1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000065477196 205236573 /nfs/dbraw/zinc/23/65/73/205236573.db2.gz ZZLBFXMPDAAPFB-SNAWJCMRSA-N 0 0 387.302 4.590 50 0 GJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1 ZINC000067259122 205243589 /nfs/dbraw/zinc/24/35/89/205243589.db2.gz WHBHKYAPJXMWQM-UHFFFAOYSA-N 0 0 386.492 4.643 50 0 GJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccccc1C ZINC000065194818 205217402 /nfs/dbraw/zinc/21/74/02/205217402.db2.gz ACKKTBKFAIOTMQ-UHFFFAOYSA-N 0 0 392.484 4.831 50 0 GJAARN CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067296028 205245009 /nfs/dbraw/zinc/24/50/09/205245009.db2.gz VILNEBWWQKBOPT-ATJXCDBQSA-N 0 0 391.452 4.773 50 0 GJAARN O=C(C1CCCC1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067458220 205248798 /nfs/dbraw/zinc/24/87/98/205248798.db2.gz YVTVGXDQKNOFRF-UHFFFAOYSA-N 0 0 394.496 4.580 50 0 GJAARN Cc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1 ZINC000067621014 205250172 /nfs/dbraw/zinc/25/01/72/205250172.db2.gz BMKWXTOUZXMZSO-UHFFFAOYSA-N 0 0 383.249 4.543 50 0 GJAARN Cc1cccc(C(=O)N2CCc3onc(-c4cccc5ccccc54)c3C2)c1O ZINC000067588583 205251222 /nfs/dbraw/zinc/25/12/22/205251222.db2.gz VCZZZFGWUPBOFQ-UHFFFAOYSA-N 0 0 384.435 4.707 50 0 GJAARN Oc1ccc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cc1 ZINC000067642912 205253013 /nfs/dbraw/zinc/25/30/13/205253013.db2.gz LNLOIOMZLCDEEL-UHFFFAOYSA-N 0 0 381.859 4.813 50 0 GJAARN O=C(c1ccc(NCc2ccco2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067755581 205258185 /nfs/dbraw/zinc/25/81/85/205258185.db2.gz AHJOYUZYYWNNDP-IBGZPJMESA-N 0 0 375.472 4.697 50 0 GJAARN CC(C)Oc1ncc(C(=O)Nc2cccnc2Oc2ccccc2)cc1Cl ZINC000069385709 205274267 /nfs/dbraw/zinc/27/42/67/205274267.db2.gz QYYOAJXUJDKCAD-UHFFFAOYSA-N 0 0 383.835 4.962 50 0 GJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000025711590 211817542 /nfs/dbraw/zinc/81/75/42/211817542.db2.gz NBRKEUABALNHEH-GFOMBABLSA-N 0 0 386.879 4.564 50 0 GJAARN Cc1ncsc1C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071440081 205285525 /nfs/dbraw/zinc/28/55/25/205285525.db2.gz WBRABRSARYXYSS-AWEZNQCLSA-N 0 0 382.451 4.955 50 0 GJAARN O=C(c1cncc(F)c1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071748912 205288852 /nfs/dbraw/zinc/28/88/52/205288852.db2.gz MOMPKACIFFCFMN-AWEZNQCLSA-N 0 0 380.385 4.725 50 0 GJAARN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc3ccccc3s2)n1 ZINC000071862773 205298491 /nfs/dbraw/zinc/29/84/91/205298491.db2.gz LREMCKKYQIUZMI-UHFFFAOYSA-N 0 0 378.457 4.896 50 0 GJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC[C@@H]1CCCCO1 ZINC000071894034 205298546 /nfs/dbraw/zinc/29/85/46/205298546.db2.gz ANPOSTQCNVUFHM-GCJKJVERSA-N 0 0 394.515 4.808 50 0 GJAARN O=C(c1ccc(Oc2cccnc2)cc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000071828071 205298663 /nfs/dbraw/zinc/29/86/63/205298663.db2.gz WLHTWJQSBYAWNB-UHFFFAOYSA-N 0 0 398.466 4.770 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)CCSc3ccccc3)CC2)n1 ZINC000090608128 205275183 /nfs/dbraw/zinc/27/51/83/205275183.db2.gz XODIVDISIRFGLK-UHFFFAOYSA-N 0 0 392.615 4.965 50 0 GJAARN O=C(Nc1ccnn1C1CCCCC1)c1ccc(COCC(F)(F)F)cc1 ZINC000069634297 205275944 /nfs/dbraw/zinc/27/59/44/205275944.db2.gz OEDLOQRCZDBAED-UHFFFAOYSA-N 0 0 381.398 4.720 50 0 GJAARN O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cccc(C(F)(F)F)c1 ZINC000090613619 205276479 /nfs/dbraw/zinc/27/64/79/205276479.db2.gz DZLZCNCPJPIYQC-INIZCTEOSA-N 0 0 397.443 4.840 50 0 GJAARN O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1cccs1)c1ccc(F)cc1 ZINC000071184928 205278240 /nfs/dbraw/zinc/27/82/40/205278240.db2.gz TZUDGGILQINAHI-FQEVSTJZSA-N 0 0 380.444 4.614 50 0 GJAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000072330071 205325975 /nfs/dbraw/zinc/32/59/75/205325975.db2.gz QYVKTMNYGVSAAG-UHFFFAOYSA-N 0 0 392.160 4.808 50 0 GJAARN CCc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000072331279 205326080 /nfs/dbraw/zinc/32/60/80/205326080.db2.gz UCYRLDLLKGPAOV-UHFFFAOYSA-N 0 0 384.523 4.796 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(OC)cc3)[nH]n2)cc1 ZINC000072331583 205326177 /nfs/dbraw/zinc/32/61/77/205326177.db2.gz KRSVXQWYPMGWKZ-INIZCTEOSA-N 0 0 393.487 4.755 50 0 GJAARN CCN(C(=O)CSc1ncnc2c3cc(C)ccc3[nH]c21)c1ccccc1 ZINC000072331947 205326769 /nfs/dbraw/zinc/32/67/69/205326769.db2.gz IWFPKNRYOWWIPK-UHFFFAOYSA-N 0 0 376.485 4.565 50 0 GJAARN c1cn(Cc2nncn2C2CCCCC2)c(-c2ccc([C@H]3CCCO3)s2)n1 ZINC000072168230 205316500 /nfs/dbraw/zinc/31/65/00/205316500.db2.gz FEYVXIJNHDVSFB-MRXNPFEDSA-N 0 0 383.521 4.608 50 0 GJAARN CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000072238460 205319343 /nfs/dbraw/zinc/31/93/43/205319343.db2.gz SFSAFGZOXCVXFM-GOSISDBHSA-N 0 0 390.405 4.511 50 0 GJAARN CCOC(=O)c1c(=O)cc(C)n(CCc2ccccc2)c1CC1CCCCC1 ZINC000072446948 205352985 /nfs/dbraw/zinc/35/29/85/205352985.db2.gz GYHGSQMBCWPGFL-UHFFFAOYSA-N 0 0 381.516 4.699 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1 ZINC000072427487 205349612 /nfs/dbraw/zinc/34/96/12/205349612.db2.gz CTJLVEOABRZUGY-UHFFFAOYSA-N 0 0 378.211 4.669 50 0 GJAARN CC(=O)c1ccc(C(=O)N2CCC(c3n[nH]cc3-c3cccc(C)c3)CC2)cc1 ZINC000077523900 205365653 /nfs/dbraw/zinc/36/56/53/205365653.db2.gz GECHTIRPCNCWAB-UHFFFAOYSA-N 0 0 387.483 4.608 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1SCC(=O)Nc2c1cnn2C(C)C ZINC000079484528 205383521 /nfs/dbraw/zinc/38/35/21/205383521.db2.gz YIFLLRAADPWHFI-IBGZPJMESA-N 0 0 381.505 4.691 50 0 GJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1ccc(F)c(Cl)c1 ZINC000079480991 205383527 /nfs/dbraw/zinc/38/35/27/205383527.db2.gz GDUQLDHHCZQIDN-UHFFFAOYSA-N 0 0 383.766 4.868 50 0 GJAARN COc1ccc2ccccc2c1Cc1cc(-c2ccc(Cl)cc2)n[nH]c1=O ZINC000079484086 205383715 /nfs/dbraw/zinc/38/37/15/205383715.db2.gz DAHBJXDFIFZERV-UHFFFAOYSA-N 0 0 376.843 4.843 50 0 GJAARN Cc1cc(C)n(-c2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cc2F)n1 ZINC000084105065 205392673 /nfs/dbraw/zinc/39/26/73/205392673.db2.gz OFJSTIABXGNHQK-SFHVURJKSA-N 0 0 396.491 4.987 50 0 GJAARN Cc1cc(OC(F)F)c(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)s1 ZINC000084081705 205393337 /nfs/dbraw/zinc/39/33/37/205393337.db2.gz NDKNDWOYNYOUNG-NSHDSACASA-N 0 0 387.835 4.605 50 0 GJAARN Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000091651102 205421326 /nfs/dbraw/zinc/42/13/26/205421326.db2.gz DZWKDMYGUAUYRN-UHFFFAOYSA-N 0 0 376.435 4.586 50 0 GJAARN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCCOC1CCCCC1 ZINC000084718132 205399238 /nfs/dbraw/zinc/39/92/38/205399238.db2.gz IXVBJVTXMJNRGH-SFHVURJKSA-N 0 0 396.531 4.700 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3C(F)(F)F)c2C)no1 ZINC000089578068 205406471 /nfs/dbraw/zinc/40/64/71/205406471.db2.gz SCOLURJGJXUVCM-UHFFFAOYSA-N 0 0 378.350 4.671 50 0 GJAARN COc1ccccc1CC(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000095348888 205439004 /nfs/dbraw/zinc/43/90/04/205439004.db2.gz GGYAVTVLIWSFKN-QFIPXVFZSA-N 0 0 375.468 4.543 50 0 GJAARN Cc1cccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1 ZINC000095348771 205439970 /nfs/dbraw/zinc/43/99/70/205439970.db2.gz HYFGDTPRKYBWTK-UHFFFAOYSA-N 0 0 378.819 4.741 50 0 GJAARN O=C(Nc1ccc(F)cc1F)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000095411149 205457378 /nfs/dbraw/zinc/45/73/78/205457378.db2.gz RGPVSRDTAPJBPJ-KRWDZBQOSA-N 0 0 395.247 4.503 50 0 GJAARN O=c1cc(CNc2ncnc3scc(-c4ccccc4)c32)c2ccccc2[nH]1 ZINC000095961285 205509472 /nfs/dbraw/zinc/50/94/72/205509472.db2.gz WTAHASVPNDZIJT-UHFFFAOYSA-N 0 0 384.464 4.812 50 0 GJAARN O=C(Nc1ccc(SCCc2ccccn2)cc1)N1CCC(F)(F)CC1 ZINC000096151392 205534790 /nfs/dbraw/zinc/53/47/90/205534790.db2.gz YOHFDRRXMQFTFU-UHFFFAOYSA-N 0 0 377.460 4.679 50 0 GJAARN CC(C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)c1ccccc1Cl ZINC000096292015 205557817 /nfs/dbraw/zinc/55/78/17/205557817.db2.gz ZKVGWQKMRAKDDO-UHFFFAOYSA-N 0 0 387.842 4.622 50 0 GJAARN COc1ccc2nc(/C=C\c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000096792647 205570865 /nfs/dbraw/zinc/57/08/65/205570865.db2.gz GHCAUWCWXQPRAI-UTCJRWHESA-N 0 0 392.274 4.952 50 0 GJAARN O=C(/C=C\c1cccs1)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000097044264 205581482 /nfs/dbraw/zinc/58/14/82/205581482.db2.gz MBVOIULLVCNQOH-IOBAAEILSA-N 0 0 395.311 4.698 50 0 GJAARN CN(C)C(=O)c1cccnc1-c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000097711781 205596080 /nfs/dbraw/zinc/59/60/80/205596080.db2.gz ICFXHJDVVBMNDC-UHFFFAOYSA-N 0 0 384.838 4.822 50 0 GJAARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 ZINC000102663388 205633900 /nfs/dbraw/zinc/63/39/00/205633900.db2.gz LZTXVHVEHHLRKN-KSFYIVLOSA-N 0 0 386.455 4.660 50 0 GJAARN O=C(CCSc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049363080 205671300 /nfs/dbraw/zinc/67/13/00/205671300.db2.gz PAEYQBKBQMOSIM-UHFFFAOYSA-N 0 0 399.541 4.687 50 0 GJAARN COC(=O)c1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1C(=O)OC ZINC000001276139 205709202 /nfs/dbraw/zinc/70/92/02/205709202.db2.gz YKRHFNJWYVPJET-UHFFFAOYSA-N 0 0 387.391 4.735 50 0 GJAARN C[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc21 ZINC000007551280 205787184 /nfs/dbraw/zinc/78/71/84/205787184.db2.gz JJDICYHKQIGWML-AWEZNQCLSA-N 0 0 392.528 4.613 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000006311285 205774444 /nfs/dbraw/zinc/77/44/44/205774444.db2.gz MCJUZZZNWLFERY-UHFFFAOYSA-N 0 0 375.852 4.703 50 0 GJAARN Cn1cnnc1Sc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000008943023 205801393 /nfs/dbraw/zinc/80/13/93/205801393.db2.gz GLYLUHDSAFXXRJ-UHFFFAOYSA-N 0 0 379.272 4.525 50 0 GJAARN CCCN1c2cc(NC(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000008959692 205801897 /nfs/dbraw/zinc/80/18/97/205801897.db2.gz ZWLBIWVSDXBLSD-UHFFFAOYSA-N 0 0 386.879 4.754 50 0 GJAARN CCNc1nc(Sc2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000001396695 205807870 /nfs/dbraw/zinc/80/78/70/205807870.db2.gz MVOUHUOGIGHWOA-UHFFFAOYSA-N 0 0 378.217 4.841 50 0 GJAARN O=C(N[C@H]1CCCc2c3ccccc3[nH]c21)c1cn(C2CC2)c(=O)c2ccccc12 ZINC000169774031 205838800 /nfs/dbraw/zinc/83/88/00/205838800.db2.gz JDUZQIVUROWASW-QFIPXVFZSA-N 0 0 397.478 4.625 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CCC(C)C ZINC000013020196 205884320 /nfs/dbraw/zinc/88/43/20/205884320.db2.gz AGSHTDVALDEGSG-UHFFFAOYSA-N 0 0 394.924 4.824 50 0 GJAARN Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1C ZINC000011073754 205864081 /nfs/dbraw/zinc/86/40/81/205864081.db2.gz AMRVPNBBPUNVEX-KRWDZBQOSA-N 0 0 384.476 4.878 50 0 GJAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3)n2)c1 ZINC000012442092 205874436 /nfs/dbraw/zinc/87/44/36/205874436.db2.gz GQRMSNNORVOQGZ-UHFFFAOYSA-N 0 0 390.468 4.565 50 0 GJAARN COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000016917353 205908124 /nfs/dbraw/zinc/90/81/24/205908124.db2.gz MFJXVIYLWGYZQR-UHFFFAOYSA-N 0 0 393.826 4.610 50 0 GJAARN CCCCOCCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000017441716 205911179 /nfs/dbraw/zinc/91/11/79/205911179.db2.gz MXWIERIKWOZCLZ-UHFFFAOYSA-N 0 0 394.924 4.590 50 0 GJAARN Cc1c(C(=O)N2CCS[C@@H](c3cccs3)CC2)cnn1-c1ccccc1 ZINC000219469093 205958279 /nfs/dbraw/zinc/95/82/79/205958279.db2.gz LTPXKKBVPCGMKP-LJQANCHMSA-N 0 0 383.542 4.563 50 0 GJAARN COc1cc(OC)c(NC(=O)Cc2nc(-c3cccs3)oc2C)cc1Cl ZINC000022967109 205967469 /nfs/dbraw/zinc/96/74/69/205967469.db2.gz WSDUCRQGWJTUBG-UHFFFAOYSA-N 0 0 392.864 4.563 50 0 GJAARN CC(=O)Nc1cccc(-n2c(SCc3ccccc3F)nnc2C2CC2)c1 ZINC000026131999 205995186 /nfs/dbraw/zinc/99/51/86/205995186.db2.gz ULWPWCKZLJDLMC-UHFFFAOYSA-N 0 0 382.464 4.535 50 0 GJAARN COc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1Cl ZINC000015840532 211711914 /nfs/dbraw/zinc/71/19/14/211711914.db2.gz ZSKYPBKNHFKIOU-UHFFFAOYSA-N 0 0 396.668 4.713 50 0 GJAARN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000028220981 206033239 /nfs/dbraw/zinc/03/32/39/206033239.db2.gz APRXISMYGKPMGE-UXHICEINSA-N 0 0 379.891 4.944 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(O[C@@H]4CCSC4)nc3)c2)cs1 ZINC000225715500 206068632 /nfs/dbraw/zinc/06/86/32/206068632.db2.gz RCVVZXHXXJSODU-QGZVFWFLSA-N 0 0 397.525 4.650 50 0 GJAARN CC(=O)c1ccc(CCNC(=O)CC(c2ccccc2)c2ccccc2)s1 ZINC000225671880 206066454 /nfs/dbraw/zinc/06/64/54/206066454.db2.gz HCDCGTKNYNATDB-UHFFFAOYSA-N 0 0 377.509 4.832 50 0 GJAARN COc1cccc(NC(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c1 ZINC000032610711 206090183 /nfs/dbraw/zinc/09/01/83/206090183.db2.gz RKOSXYIMSGZIML-UHFFFAOYSA-N 0 0 391.258 4.891 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000031264621 206085277 /nfs/dbraw/zinc/08/52/77/206085277.db2.gz JZGXHHBHLMDYHR-LJQANCHMSA-N 0 0 389.879 4.694 50 0 GJAARN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1 ZINC000058438979 206102146 /nfs/dbraw/zinc/10/21/46/206102146.db2.gz ULCYXSYAEGWPEO-ROUUACIJSA-N 0 0 391.487 4.612 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccccn1 ZINC000062017991 206103989 /nfs/dbraw/zinc/10/39/89/206103989.db2.gz HVYZEACWYJSPPT-UHFFFAOYSA-N 0 0 379.891 4.690 50 0 GJAARN Cc1cc(C)cc(OC(=O)c2cn(-c3ccc(F)cc3)c(=O)c3ccccc23)c1 ZINC000064977279 206105561 /nfs/dbraw/zinc/10/55/61/206105561.db2.gz QALNCSPVYZSKHC-UHFFFAOYSA-N 0 0 387.410 4.966 50 0 GJAARN CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@@H]2O)n1 ZINC000226441589 206092111 /nfs/dbraw/zinc/09/21/11/206092111.db2.gz AGPNLNWYOUSSOT-YBCDCHDQSA-N 0 0 378.516 4.519 50 0 GJAARN COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)ccc2C)c2ccccc2)c1 ZINC000032797445 206093002 /nfs/dbraw/zinc/09/30/02/206093002.db2.gz LKOUWSAMPBQPOR-JOCHJYFZSA-N 0 0 389.451 4.849 50 0 GJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1OC(F)F ZINC000032854804 206094755 /nfs/dbraw/zinc/09/47/55/206094755.db2.gz BXTCFHQRUQYZKJ-UHFFFAOYSA-N 0 0 375.371 4.972 50 0 GJAARN C[C@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000032870375 206094939 /nfs/dbraw/zinc/09/49/39/206094939.db2.gz IVBQSIDRQDKERB-HNNXBMFYSA-N 0 0 395.890 4.834 50 0 GJAARN Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)[C@H](F)C(F)(F)F)n1 ZINC000032925684 206096078 /nfs/dbraw/zinc/09/60/78/206096078.db2.gz HKAYQCXSWPNJTM-CQSZACIVSA-N 0 0 378.272 4.514 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)c2ccccc12 ZINC000096222659 206121165 /nfs/dbraw/zinc/12/11/65/206121165.db2.gz VWYCWLMUCXHZIN-SFHVURJKSA-N 0 0 386.403 4.704 50 0 biogenic GJAARN O=C(CSCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Cl)cc1 ZINC000012915622 211693963 /nfs/dbraw/zinc/69/39/63/211693963.db2.gz RDFUQKNYKYSCCE-UHFFFAOYSA-N 0 0 394.283 4.915 50 0 GJAARN COc1cccc([C@H]2CC(c3ccsc3)=NN2C(=O)c2ccccc2C)c1 ZINC000241515595 206126418 /nfs/dbraw/zinc/12/64/18/206126418.db2.gz OGKMYXRJMPQAMA-OAQYLSRUSA-N 0 0 376.481 5.057 50 0 GJAARN Cn1c(=S)n(CN2CCC[C@@H]3CCCC[C@H]32)nc1-c1ccc(Cl)cc1 ZINC000229975433 206110881 /nfs/dbraw/zinc/11/08/81/206110881.db2.gz MAARNTFVOZJWMX-WMLDXEAASA-N 0 0 376.957 4.884 50 0 GJAARN CC[C@@H](Nc1ncncc1-c1nc(-c2ccccc2F)no1)c1cccs1 ZINC000252482455 206139119 /nfs/dbraw/zinc/13/91/19/206139119.db2.gz DFXAKWUJYWOPIU-OAHLLOKOSA-N 0 0 381.436 4.957 50 0 GJAARN Cc1sc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1-c1ccc(F)cc1 ZINC000252537142 206144101 /nfs/dbraw/zinc/14/41/01/206144101.db2.gz KKUPXABXGYGNJC-INIZCTEOSA-N 0 0 394.471 4.718 50 0 GJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4)c3)cn2n1 ZINC000012441245 211683404 /nfs/dbraw/zinc/68/34/04/211683404.db2.gz YLKHWZCTMYSCAQ-UHFFFAOYSA-N 0 0 392.846 4.619 50 0 GJAARN Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cn1cc2ccccc2n1 ZINC000253431833 206148080 /nfs/dbraw/zinc/14/80/80/206148080.db2.gz UOPZAVCPXWDIIL-UHFFFAOYSA-N 0 0 399.454 4.627 50 0 GJAARN CCCC(CCC)C(=O)Nc1cccc(-c2csc3nc(C)cc(=O)n23)c1 ZINC000011768234 211677038 /nfs/dbraw/zinc/67/70/38/211677038.db2.gz OYOGMVMNXCRSPM-UHFFFAOYSA-N 0 0 383.517 4.886 50 0 GJAARN CCc1cccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)c1 ZINC000169759744 211642496 /nfs/dbraw/zinc/64/24/96/211642496.db2.gz SEDHTPLWVVICMW-FQEVSTJZSA-N 0 0 381.863 4.623 50 0 GJAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(Oc2ccccc2)c1 ZINC000008187270 211593075 /nfs/dbraw/zinc/59/30/75/211593075.db2.gz HELIXBVKHYGRAO-UHFFFAOYSA-N 0 0 390.830 4.965 50 0 GJAARN CCCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000005868211 211572061 /nfs/dbraw/zinc/57/20/61/211572061.db2.gz RZSDWACXFVOXKF-UHFFFAOYSA-N 0 0 387.439 4.642 50 0 biogenic GJAARN Cc1cc2nc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)sc2c(C)c1 ZINC000005182169 211561736 /nfs/dbraw/zinc/56/17/36/211561736.db2.gz XYUSZWGITBFDHL-UHFFFAOYSA-N 0 0 391.949 4.590 50 0 GJAARN O=C(CCc1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005215736 211563749 /nfs/dbraw/zinc/56/37/49/211563749.db2.gz DPFLZBYXZWVWFX-YFNKSVMNSA-N 0 0 381.491 4.653 50 0 GJAARN CCn1c(=O)c2ccccc2nc1SCc1csc(-c2ccccc2)n1 ZINC000005213621 211563058 /nfs/dbraw/zinc/56/30/58/211563058.db2.gz DQUXWDSWTHLDFJ-UHFFFAOYSA-N 0 0 379.510 4.832 50 0 GJAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Cl)CSC3)cc1 ZINC000004077199 211529464 /nfs/dbraw/zinc/52/94/64/211529464.db2.gz XXXLCJWWGZEADA-UHFFFAOYSA-N 0 0 385.876 4.533 50 0 GJAARN O=C(Nc1c(-c2ccccc2)nc2ncccn21)c1ccc(C(F)(F)F)cc1 ZINC000004033772 211527286 /nfs/dbraw/zinc/52/72/86/211527286.db2.gz GBBUOQFBMNEIKJ-UHFFFAOYSA-N 0 0 382.345 4.667 50 0 GJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)OCC(=O)Nc1cccc(Cl)c1 ZINC000001787462 211511339 /nfs/dbraw/zinc/51/13/39/211511339.db2.gz BRWATYOFZZBMCN-FNORWQNLSA-N 0 0 384.646 4.842 50 0 GJAARN O=C(c1ccc(Br)cc1)N(c1ccccc1)C1=NCCCCS1 ZINC000000820954 211490082 /nfs/dbraw/zinc/49/00/82/211490082.db2.gz VGNIVPHTJXGSNY-UHFFFAOYSA-N 0 0 389.318 4.979 50 0 GJAARN Cc1ccc(C2=Nc3nnnn3[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101229490 211397353 /nfs/dbraw/zinc/39/73/53/211397353.db2.gz FIBVDJOVVUHOIC-QHCPKHFHSA-N 0 0 395.466 4.617 50 0 GJAARN Cc1cc(C)cc(C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]2C)c1 ZINC000100168566 211383122 /nfs/dbraw/zinc/38/31/22/211383122.db2.gz SOUKHRYZCIPMDY-KBXCAEBGSA-N 0 0 391.389 4.570 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C\c2ccc(F)cc2)s1 ZINC000096993418 211355148 /nfs/dbraw/zinc/35/51/48/211355148.db2.gz VAOAVRYJHSDSKM-NTEUORMPSA-N 0 0 377.803 4.806 50 0 GJAARN COc1cccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1OC ZINC000097010921 211354075 /nfs/dbraw/zinc/35/40/75/211354075.db2.gz CUKICKCYCHHEIR-UHFFFAOYSA-N 0 0 398.846 4.584 50 0 GJAARN Cc1cn2c(/C=C\C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c(C)nc2s1 ZINC000096926645 211352383 /nfs/dbraw/zinc/35/23/83/211352383.db2.gz WKLDBTNDBWWZMD-VURMDHGXSA-N 0 0 395.484 4.706 50 0 GJAARN COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCCC3 ZINC000096900678 211350539 /nfs/dbraw/zinc/35/05/39/211350539.db2.gz XBLIVLCBAHPULH-UHFFFAOYSA-N 0 0 381.501 4.798 50 0 GJAARN Cc1cc(C)c(NC=C2C(=O)N(c3nccs3)C(=O)c3ccccc32)c(C)c1 ZINC000096837464 211347248 /nfs/dbraw/zinc/34/72/48/211347248.db2.gz MHOFLXWPJPDDPS-PDGQHHTCSA-N 0 0 389.480 4.708 50 0 GJAARN O=C(/C=C\c1ccc(F)cc1)OC(COc1ccccc1)COc1ccccc1 ZINC000096839652 211346505 /nfs/dbraw/zinc/34/65/05/211346505.db2.gz YZTWUSJOYBYRIY-SSZFMOIBSA-N 0 0 392.426 4.909 50 0 GJAARN CCn1c(-c2cc(NC(=O)Cc3ccccc3C)n[nH]2)cc2cc(OC)ccc21 ZINC000096398606 211342221 /nfs/dbraw/zinc/34/22/21/211342221.db2.gz HDMGOIKMYLJWFK-UHFFFAOYSA-N 0 0 388.471 4.550 50 0 GJAARN CCN(C(=O)c1cccc(-n2ccnc2SC)c1)[C@H]1CCCc2cccnc21 ZINC000097105104 211358320 /nfs/dbraw/zinc/35/83/20/211358320.db2.gz MIYVRKGWVGXEDY-IBGZPJMESA-N 0 0 392.528 4.529 50 0 GJAARN Cc1ccc(F)c([C@H](CC(=O)NC[C@]2(C)CCCO2)c2c[nH]c3ccccc32)c1 ZINC000096289124 211331970 /nfs/dbraw/zinc/33/19/70/211331970.db2.gz RMBOJSBNTKNQQX-UUOWRZLLSA-N 0 0 394.490 4.823 50 0 GJAARN Cc1cccc(-c2noc(CCN(C(=O)c3ccco3)C3CCCCC3)n2)c1 ZINC000096293633 211331593 /nfs/dbraw/zinc/33/15/93/211331593.db2.gz ZUXHGXWRERKORR-UHFFFAOYSA-N 0 0 379.460 4.656 50 0 GJAARN COc1cc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)ccc1OC(C)C ZINC000096281512 211329384 /nfs/dbraw/zinc/32/93/84/211329384.db2.gz GZRFEIHWUVLKED-UHFFFAOYSA-N 0 0 386.448 4.997 50 0 GJAARN COCCn1ccc2c1cccc2C(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096222956 211318893 /nfs/dbraw/zinc/31/88/93/211318893.db2.gz BJGRRPCLCUEVFJ-OAQYLSRUSA-N 0 0 387.483 4.576 50 0 GJAARN Cc1ccc(NC(=O)N2CC[C@@H](c3nc4ccncc4n3C(C)C)C2)cc1C ZINC000096125274 211304946 /nfs/dbraw/zinc/30/49/46/211304946.db2.gz JXCKLONLVFPODM-QGZVFWFLSA-N 0 0 377.492 4.650 50 0 GJAARN Cc1nccn1[C@@H](C)Cc1nc(C2CC2)nn1-c1cc(Cl)ccc1Cl ZINC000096131068 211303572 /nfs/dbraw/zinc/30/35/72/211303572.db2.gz QVLPPTUXEYCOMX-NSHDSACASA-N 0 0 376.291 4.760 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2Cl)S1 ZINC000096116844 211302429 /nfs/dbraw/zinc/30/24/29/211302429.db2.gz VCZGQXWNGDKBLT-BLLLJJGKSA-N 0 0 391.924 4.846 50 0 GJAARN Cc1cc(Cn2ccc(=O)c3cc(Br)ccc32)c2ccccc2n1 ZINC000096006440 211292824 /nfs/dbraw/zinc/29/28/24/211292824.db2.gz RTNGFBTWOHRXNK-UHFFFAOYSA-N 0 0 379.257 4.669 50 0 GJAARN O=C(NCc1cccc(-c2ncc[nH]2)c1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000096012651 211295246 /nfs/dbraw/zinc/29/52/46/211295246.db2.gz SOTWRHNEZMYHDL-UHFFFAOYSA-N 0 0 393.447 4.661 50 0 GJAARN CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)c1 ZINC000096006822 211293354 /nfs/dbraw/zinc/29/33/54/211293354.db2.gz ZDABIBOVMRZBKN-HOTGVXAUSA-N 0 0 378.538 4.693 50 0 GJAARN CC(=O)c1sc(NC(=O)c2cnn(C(C)C)c2C2CC2)nc1-c1ccccc1 ZINC000095979999 211290427 /nfs/dbraw/zinc/29/04/27/211290427.db2.gz NBUITQCYMTXESN-UHFFFAOYSA-N 0 0 394.500 4.920 50 0 GJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc([S@](C)=O)cc2)n1 ZINC000095951424 211285801 /nfs/dbraw/zinc/28/58/01/211285801.db2.gz TYTQXXBXFGDWHR-HHHXNRCGSA-N 0 0 395.509 4.590 50 0 GJAARN CCCc1cc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)n(C)n1 ZINC000095525873 211272137 /nfs/dbraw/zinc/27/21/37/211272137.db2.gz IZQKOMIHIWXBCG-UHFFFAOYSA-N 0 0 387.527 4.595 50 0 GJAARN CC(C)c1nc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCCO4)ccc2o1 ZINC000095508360 211260609 /nfs/dbraw/zinc/26/06/09/211260609.db2.gz NETWLXANFHIECM-AWEZNQCLSA-N 0 0 380.444 4.604 50 0 GJAARN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000095423951 211239634 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COc1ccccc1-c1nc(CNc2ccc3c(c2)OC(F)(F)O3)cs1 ZINC000095348524 211220384 /nfs/dbraw/zinc/22/03/84/211220384.db2.gz NDGYVSCCNYKKJQ-UHFFFAOYSA-N 0 0 376.384 4.752 50 0 GJAARN O=C(c1cnc(Nc2ccccc2)nc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000092076877 211215400 /nfs/dbraw/zinc/21/54/00/211215400.db2.gz DTVKNGSNKLJABP-FQEVSTJZSA-N 0 0 376.435 4.727 50 0 GJAARN COc1ccc2c(C)c(C(=O)N3CCC[C@H](OCc4ccccc4)C3)oc2c1 ZINC000091350677 211190104 /nfs/dbraw/zinc/19/01/04/211190104.db2.gz IDWARSFCRCPOAV-IBGZPJMESA-N 0 0 379.456 4.571 50 0 GJAARN CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c1 ZINC000089905235 211186108 /nfs/dbraw/zinc/18/61/08/211186108.db2.gz UECPKRVVCLUCDU-JXFKEZNVSA-N 0 0 382.504 4.626 50 0 GJAARN FC(F)(F)c1cccc(-c2nnn(Cc3csc(C4CCCC4)n3)n2)c1 ZINC000089774544 211184222 /nfs/dbraw/zinc/18/42/22/211184222.db2.gz PGVOCTAMAWGMFW-UHFFFAOYSA-N 0 0 379.411 4.521 50 0 GJAARN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1SCc1cccs1 ZINC000089811832 211183743 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COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000083921516 211165168 /nfs/dbraw/zinc/16/51/68/211165168.db2.gz GVDZWZQQXAGZTJ-UHFFFAOYSA-N 0 0 381.863 4.801 50 0 GJAARN CCc1nccn1CC(=O)NCc1cc(C)cc2c(C)c(-c3ccccc3)[nH]c21 ZINC000082116287 211162212 /nfs/dbraw/zinc/16/22/12/211162212.db2.gz BAAMSVMKLXKWGX-UHFFFAOYSA-N 0 0 386.499 4.527 50 0 GJAARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1c(F)cc(F)cc1F ZINC000078949698 211151414 /nfs/dbraw/zinc/15/14/14/211151414.db2.gz HNNMEIKXHCYNQO-UHFFFAOYSA-N 0 0 387.357 4.700 50 0 GJAARN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3cc(C)nc(-c4cccnc4)n3)n2)c1 ZINC000079017560 211152758 /nfs/dbraw/zinc/15/27/58/211152758.db2.gz WQAKRVMFTPVJOH-NRFANRHFSA-N 0 0 396.498 4.887 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000077356060 211130263 /nfs/dbraw/zinc/13/02/63/211130263.db2.gz YCLPYXIGJBZULD-IBGZPJMESA-N 0 0 376.456 4.675 50 0 GJAARN O=C(c1cccnc1-c1cc(NC2CCCC2)nc2[nH]ccc21)N1CCCCC1 ZINC000072447968 211120789 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O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000071817386 211064153 /nfs/dbraw/zinc/06/41/53/211064153.db2.gz MDDSPLNXNACHSB-UONOGXRCSA-N 0 0 389.402 4.966 50 0 GJAARN O=C(c1ccc2cccnc2c1O)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071752155 211056089 /nfs/dbraw/zinc/05/60/89/211056089.db2.gz ASSOEBDSZUQOQL-INIZCTEOSA-N 0 0 378.447 4.565 50 0 GJAARN Cc1ccnn1CC(=O)NCc1cc(Cl)cc2c(C)c(-c3ccccc3)[nH]c21 ZINC000071551807 211048829 /nfs/dbraw/zinc/04/88/29/211048829.db2.gz JGOWOBZOXMTDQA-UHFFFAOYSA-N 0 0 392.890 4.618 50 0 GJAARN Cc1nc2cccc(C(=O)N3CCC[C@@H](CCc4c(F)cccc4F)C3)c2[nH]1 ZINC000071613898 211048719 /nfs/dbraw/zinc/04/87/19/211048719.db2.gz VULWYDJXYHKLTF-HNNXBMFYSA-N 0 0 383.442 4.635 50 0 GJAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(C(F)(F)F)c1 ZINC000090610577 211037480 /nfs/dbraw/zinc/03/74/80/211037480.db2.gz ZXPGGHHZEDQFJM-UHFFFAOYSA-N 0 0 395.427 4.989 50 0 GJAARN Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cccnc1N(C)C ZINC000069484616 211038980 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Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299187 211008865 /nfs/dbraw/zinc/00/88/65/211008865.db2.gz MQKRJZMMWGKYPZ-BZZOAKBMSA-N 0 0 388.423 4.511 50 0 GJAARN CC(C)(C)c1ccc(Cn2c3ccsc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000067257985 211005516 /nfs/dbraw/zinc/00/55/16/211005516.db2.gz ZCVHYQAZLDOHMF-UHFFFAOYSA-N 0 0 390.508 4.560 50 0 GJAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 ZINC000067259601 211005679 /nfs/dbraw/zinc/00/56/79/211005679.db2.gz ZEGJVMLVATYSBH-UHFFFAOYSA-N 0 0 376.481 4.947 50 0 GJAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1ccc(C)c(C)c1 ZINC000067259155 211005159 /nfs/dbraw/zinc/00/51/59/211005159.db2.gz RBTZHVYHILHWCG-UHFFFAOYSA-N 0 0 382.529 4.732 50 0 GJAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCc1ccccc1 ZINC000067258415 211005275 /nfs/dbraw/zinc/00/52/75/211005275.db2.gz CEJSXRVSUGXXAF-UHFFFAOYSA-N 0 0 388.492 4.746 50 0 GJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C)nc1 ZINC000067294214 211006264 /nfs/dbraw/zinc/00/62/64/211006264.db2.gz 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GJAARN Cc1c(F)cc(C(N)=O)cc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000060829707 210929090 /nfs/dbraw/zinc/92/90/90/210929090.db2.gz ZRSSLTTYTYZXGW-UHFFFAOYSA-N 0 0 397.475 4.732 50 0 GJAARN O=C(Nc1cccc(NC(=O)NC2CC2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000058184078 210911354 /nfs/dbraw/zinc/91/13/54/210911354.db2.gz ZLJKTOUJOJKGJW-UHFFFAOYSA-N 0 0 379.247 4.921 50 0 GJAARN Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3ccco3)c3ccc(C)cc3)o2)n1 ZINC000058296259 210915878 /nfs/dbraw/zinc/91/58/78/210915878.db2.gz AQQWOAWTZZUFET-UHFFFAOYSA-N 0 0 389.455 4.890 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000057740528 210902417 /nfs/dbraw/zinc/90/24/17/210902417.db2.gz AAEQRJYLYFEIQU-UHFFFAOYSA-N 0 0 391.254 4.759 50 0 GJAARN O=C(CN[C@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000057398748 210896566 /nfs/dbraw/zinc/89/65/66/210896566.db2.gz PRCOHBLUSJIXSL-QHCPKHFHSA-N 0 0 391.540 4.666 50 0 GJAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccccc1F ZINC000046022356 210833852 /nfs/dbraw/zinc/83/38/52/210833852.db2.gz KFCXSRJOKUMVTO-UHFFFAOYSA-N 0 0 387.505 4.731 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1ccc(C)cc1)CC(=O)N2 ZINC000046056409 210832625 /nfs/dbraw/zinc/83/26/25/210832625.db2.gz LAWNGURKEMLEMV-INIZCTEOSA-N 0 0 393.874 4.760 50 0 GJAARN CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000041097666 210799658 /nfs/dbraw/zinc/79/96/58/210799658.db2.gz SYGHCSXDSVFNEL-XMMPIXPASA-N 0 0 386.451 4.813 50 0 GJAARN Nc1c(Cl)cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000041819320 210801963 /nfs/dbraw/zinc/80/19/63/210801963.db2.gz CPQGGHUAEGABSY-UHFFFAOYSA-N 0 0 396.221 4.720 50 0 GJAARN CCOC(=O)c1cc2cc(NC(=O)c3cnn(C(C)(C)C)c3CC)ccc2s1 ZINC000040151978 210780144 /nfs/dbraw/zinc/78/01/44/210780144.db2.gz YWWUZIVGAOOYRY-UHFFFAOYSA-N 0 0 399.516 4.844 50 0 GJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccccc3C)ncn2)C[C@@H]1C ZINC000037623564 210745328 /nfs/dbraw/zinc/74/53/28/210745328.db2.gz LFDNDYNFQAONHM-IBGZPJMESA-N 0 0 396.535 4.585 50 0 GJAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000077200171 210751716 /nfs/dbraw/zinc/75/17/16/210751716.db2.gz JQVSXLLBIZFWRS-ZWKOTPCHSA-N 0 0 378.428 4.723 50 0 GJAARN COc1ccc(-c2cc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)no2)cc1 ZINC000036001713 210703663 /nfs/dbraw/zinc/70/36/63/210703663.db2.gz RZQNRKJMRQYWEY-UHFFFAOYSA-N 0 0 382.847 4.808 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1 ZINC000035460928 210687895 /nfs/dbraw/zinc/68/78/95/210687895.db2.gz XAKYBERRKVBXDA-UHFFFAOYSA-N 0 0 395.422 4.631 50 0 GJAARN O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@H]1c1ccccc1Cl ZINC000035476393 210688038 /nfs/dbraw/zinc/68/80/38/210688038.db2.gz QHJUKAIHHRUEGQ-KRWDZBQOSA-N 0 0 396.830 4.701 50 0 GJAARN CC(C)c1cc(N[C@@H](C)CCc2ccccc2)n2nc(-c3cccnc3)nc2n1 ZINC000035477173 210688372 /nfs/dbraw/zinc/68/83/72/210688372.db2.gz BZSKCCHBCLERGW-KRWDZBQOSA-N 0 0 386.503 4.743 50 0 GJAARN CCn1nc(C(=O)NCc2ccc(F)cc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901470 210671052 /nfs/dbraw/zinc/67/10/52/210671052.db2.gz PCVPVXBDYRDADO-UHFFFAOYSA-N 0 0 391.368 4.658 50 0 GJAARN Cc1ccc(N2CCCN(Cc3ccc(C)c(C)c3)C2=O)c(NC(=O)C2CC2)c1 ZINC000034736997 210662963 /nfs/dbraw/zinc/66/29/63/210662963.db2.gz DCZHBPXAHHBVLV-UHFFFAOYSA-N 0 0 391.515 4.793 50 0 GJAARN Cc1ccc(C(=O)Nc2cc(N3CCn4c(nc5ccccc54)C3)ccc2C)cc1 ZINC000033320576 210643699 /nfs/dbraw/zinc/64/36/99/210643699.db2.gz VXBGHOWEIXBGBC-UHFFFAOYSA-N 0 0 396.494 4.926 50 0 GJAARN Cc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267853 210634084 /nfs/dbraw/zinc/63/40/84/210634084.db2.gz CORRYBIIDGBJLA-NRFANRHFSA-N 0 0 384.483 4.835 50 0 GJAARN CSc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCC4)c32)cc1 ZINC000033312544 210641292 /nfs/dbraw/zinc/64/12/92/210641292.db2.gz NLRYUOGDOVZLET-UHFFFAOYSA-N 0 0 384.530 4.574 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccc2sc(NC(C)=O)nc2c1 ZINC000033129438 210626914 /nfs/dbraw/zinc/62/69/14/210626914.db2.gz IKPXZNIFIRJGAL-UHFFFAOYSA-N 0 0 390.852 4.561 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCCC(C)C)c3)C2)cc1 ZINC000033034936 210618365 /nfs/dbraw/zinc/61/83/65/210618365.db2.gz GITPWWKQXPAONK-QHCPKHFHSA-N 0 0 392.543 4.791 50 0 GJAARN CCOc1ccccc1NC(=O)c1sc(=S)n(Cc2ccccc2)c1N ZINC000032952219 210606568 /nfs/dbraw/zinc/60/65/68/210606568.db2.gz XBQDGGUPQKBVGR-UHFFFAOYSA-N 0 0 385.514 4.561 50 0 GJAARN CCCSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)n1C ZINC000032952762 210607926 /nfs/dbraw/zinc/60/79/26/210607926.db2.gz IFZZQOCQVYONFI-UHFFFAOYSA-N 0 0 383.951 4.671 50 0 GJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1 ZINC000032624280 210578279 /nfs/dbraw/zinc/57/82/79/210578279.db2.gz OYKYIBAVEAXKJY-ZDUSSCGKSA-N 0 0 383.423 4.579 50 0 GJAARN CC(C)Oc1cccc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)c1 ZINC000032100811 210572524 /nfs/dbraw/zinc/57/25/24/210572524.db2.gz GTYLCFPOJKBKBV-UHFFFAOYSA-N 0 0 387.439 4.607 50 0 GJAARN O=C(NCc1nc2ccccc2s1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000031098981 210560942 /nfs/dbraw/zinc/56/09/42/210560942.db2.gz SMDNMSFRYYIFQY-UHFFFAOYSA-N 0 0 396.475 4.837 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(SC2CCCC2)cc1)n1c2ccccc2oc1=O ZINC000030182412 210553142 /nfs/dbraw/zinc/55/31/42/210553142.db2.gz PMQBGGAZSVYBCB-AWEZNQCLSA-N 0 0 382.485 4.829 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000029849544 210550077 /nfs/dbraw/zinc/55/00/77/210550077.db2.gz DCNPHTRFGHKZOA-QFIPXVFZSA-N 0 0 381.431 4.581 50 0 GJAARN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 ZINC000027991905 210519585 /nfs/dbraw/zinc/51/95/85/210519585.db2.gz IYOOHVPZOFYVQD-GOSISDBHSA-N 0 0 394.540 4.862 50 0 GJAARN COc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)c2ccccn2)cc1 ZINC000027793967 210518316 /nfs/dbraw/zinc/51/83/16/210518316.db2.gz ZTACJCMNFGQOLG-UHFFFAOYSA-N 0 0 390.483 4.972 50 0 GJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1nc2ccccc2s1 ZINC000038715138 210501277 /nfs/dbraw/zinc/50/12/77/210501277.db2.gz XALZRWXQILGXAM-UHFFFAOYSA-N 0 0 387.420 4.907 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000025665008 210485733 /nfs/dbraw/zinc/48/57/33/210485733.db2.gz JJSSECSJEFTAER-UUOWRZLLSA-N 0 0 398.462 4.522 50 0 GJAARN C[C@H](OCCCNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 ZINC000024838631 210471435 /nfs/dbraw/zinc/47/14/35/210471435.db2.gz LYMBOEZLSWAMCT-KRWDZBQOSA-N 0 0 382.529 4.903 50 0 GJAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCc1ccsc1 ZINC000024644707 210468177 /nfs/dbraw/zinc/46/81/77/210468177.db2.gz FRLMUWZXVAISFJ-UHFFFAOYSA-N 0 0 399.343 4.865 50 0 GJAARN Cc1cc2ccccc2n1CC(=O)N1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000024453972 210463980 /nfs/dbraw/zinc/46/39/80/210463980.db2.gz YKJDXSQXHUVNAY-UHFFFAOYSA-N 0 0 388.511 4.688 50 0 GJAARN CCOc1ccccc1CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000022066944 210405251 /nfs/dbraw/zinc/40/52/51/210405251.db2.gz DSSVYRRDYLCQMM-UHFFFAOYSA-N 0 0 396.468 4.509 50 0 GJAARN COc1ccc(CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000021790227 210393284 /nfs/dbraw/zinc/39/32/84/210393284.db2.gz XQYZAPDITVEAGC-UHFFFAOYSA-N 0 0 376.481 4.685 50 0 GJAARN O=C(Nc1cccc2ccccc21)c1cccn2c1nnc2-c1ccccc1F ZINC000021723431 210391979 /nfs/dbraw/zinc/39/19/79/210391979.db2.gz LHBXSNHOSVDCEP-UHFFFAOYSA-N 0 0 382.398 4.941 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(C)c(C)c1)CC(=O)N2 ZINC000021726140 210391242 /nfs/dbraw/zinc/39/12/42/210391242.db2.gz FVSYLAVZAWAESU-MRXNPFEDSA-N 0 0 388.496 4.881 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc2c(cccc2C)s1 ZINC000021589526 210385345 /nfs/dbraw/zinc/38/53/45/210385345.db2.gz GNOMZJQLPRFEGW-QGZVFWFLSA-N 0 0 377.469 4.507 50 0 GJAARN Cn1ncc2c1nc(NCc1ccccc1Cl)nc2Nc1ccc(F)cc1 ZINC000021873612 210397671 /nfs/dbraw/zinc/39/76/71/210397671.db2.gz BYBNXSHPCPJJSL-UHFFFAOYSA-N 0 0 382.830 4.512 50 0 GJAARN COc1ccccc1OCCCCn1c2ccccc2nc1CN1CCCCC1 ZINC000021783155 210394080 /nfs/dbraw/zinc/39/40/80/210394080.db2.gz JNJVNYRJKUYNHG-UHFFFAOYSA-N 0 0 393.531 4.890 50 0 GJAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc(OC)c1OC ZINC000021157639 210378490 /nfs/dbraw/zinc/37/84/90/210378490.db2.gz SJFWTAIDQCYPLE-OAHLLOKOSA-N 0 0 395.480 4.915 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc(OC)c1OC ZINC000021157636 210378401 /nfs/dbraw/zinc/37/84/01/210378401.db2.gz SJFWTAIDQCYPLE-HNNXBMFYSA-N 0 0 395.480 4.915 50 0 GJAARN COc1ccc(Cn2c3cnccc3nc2SCc2cccc(OC)c2)cc1 ZINC000021162363 210378171 /nfs/dbraw/zinc/37/81/71/210378171.db2.gz YOWSFNMYADHOKA-UHFFFAOYSA-N 0 0 391.496 4.789 50 0 GJAARN Cc1cccc(CNC(=O)CSc2ncnc3c2sc2cccc(F)c23)c1 ZINC000021153343 210377722 /nfs/dbraw/zinc/37/77/22/210377722.db2.gz ZDDCYKQGVROBJN-UHFFFAOYSA-N 0 0 397.500 4.701 50 0 GJAARN Cc1ccc2[nH]c(C(=O)NC3CCCC3)c(NC(=O)c3cccc(C)c3)c2c1 ZINC000021362181 210381135 /nfs/dbraw/zinc/38/11/35/210381135.db2.gz OJPHUTCHDYLJDH-UHFFFAOYSA-N 0 0 375.472 4.709 50 0 GJAARN CCOc1ccccc1NC(=O)C[C@H](c1cccc(OC)c1OC)n1cccc1 ZINC000020997817 210372191 /nfs/dbraw/zinc/37/21/91/210372191.db2.gz RXTADPACAAMRSW-LJQANCHMSA-N 0 0 394.471 4.522 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)N(C)Cc1ccccc1 ZINC000020979109 210371008 /nfs/dbraw/zinc/37/10/08/210371008.db2.gz XZCNCYLQBQEFEW-UHFFFAOYSA-N 0 0 384.483 4.552 50 0 GJAARN CCCc1nc(SC)ncc1C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000020931738 210370784 /nfs/dbraw/zinc/37/07/84/210370784.db2.gz NGZLJFOPQCEWSG-UHFFFAOYSA-N 0 0 391.496 4.634 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(C)cc1)SCC(=O)N2 ZINC000020891782 210367350 /nfs/dbraw/zinc/36/73/50/210367350.db2.gz XYTBLYHWXBRONX-IBGZPJMESA-N 0 0 383.904 4.917 50 0 GJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1 ZINC000020892292 210366809 /nfs/dbraw/zinc/36/68/09/210366809.db2.gz ZFICANNGLIRSQH-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)SCC(=O)N2 ZINC000020898850 210366144 /nfs/dbraw/zinc/36/61/44/210366144.db2.gz ZMEZMYMRRSCCDV-IBGZPJMESA-N 0 0 399.903 4.725 50 0 GJAARN COc1ccc(CNc2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)n2)cc1 ZINC000021035784 210375122 /nfs/dbraw/zinc/37/51/22/210375122.db2.gz WUGPRSBDCAOJRG-UHFFFAOYSA-N 0 0 396.878 4.620 50 0 GJAARN CCC[C@@](O)(c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868378 210364313 /nfs/dbraw/zinc/36/43/13/210364313.db2.gz FUGHFMSBXOKNOF-FGZHOGPDSA-N 0 0 391.914 4.583 50 0 GJAARN CC[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)c1ccc(C)c(N2CCNC2=O)c1 ZINC000020821145 210362874 /nfs/dbraw/zinc/36/28/74/210362874.db2.gz FCFLHZONZJACGZ-MRXNPFEDSA-N 0 0 399.922 4.619 50 0 GJAARN COc1cc(Cl)ccc1Nc1cc(C)nc2nc(-c3cccc(C)c3)nn21 ZINC000020853486 210363008 /nfs/dbraw/zinc/36/30/08/210363008.db2.gz AWTXOXIQMRSKDA-UHFFFAOYSA-N 0 0 379.851 4.814 50 0 GJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)NC2CCCCCC2)cc1 ZINC000020761361 210361474 /nfs/dbraw/zinc/36/14/74/210361474.db2.gz KIKMVZWIUCGYOT-UHFFFAOYSA-N 0 0 396.531 4.904 50 0 GJAARN O=C(c1ccc2nc(C(F)(F)F)sc2c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000020745064 210359155 /nfs/dbraw/zinc/35/91/55/210359155.db2.gz QPTNFHGLIIYXFD-OAHLLOKOSA-N 0 0 392.402 4.529 50 0 GJAARN Cc1cccc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3cccc(C)c3C)n2)c1C ZINC000020617547 210353883 /nfs/dbraw/zinc/35/38/83/210353883.db2.gz TXIITTGVUBWMQQ-SFHVURJKSA-N 0 0 390.487 4.569 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 ZINC000020604944 210352378 /nfs/dbraw/zinc/35/23/78/210352378.db2.gz SQRIMFSJNUPDEX-UHFFFAOYSA-N 0 0 389.356 4.596 50 0 GJAARN Fc1ccccc1-n1ncc2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)F ZINC000020603096 210349258 /nfs/dbraw/zinc/34/92/58/210349258.db2.gz BBRLYEQVJDMKEC-UHFFFAOYSA-N 0 0 383.329 4.893 50 0 GJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000020714676 210355108 /nfs/dbraw/zinc/35/51/08/210355108.db2.gz RHBLSVWUDSEAQA-MRXNPFEDSA-N 0 0 380.835 4.683 50 0 GJAARN Cc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020653878 210354725 /nfs/dbraw/zinc/35/47/25/210354725.db2.gz ORQYXDUTUKYROD-UHFFFAOYSA-N 0 0 385.511 4.934 50 0 GJAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000020486797 210340002 /nfs/dbraw/zinc/34/00/02/210340002.db2.gz CEITZECDTAPSSW-UHFFFAOYSA-N 0 0 391.490 4.708 50 0 GJAARN Cc1ccc2c(c1)[nH]c(C(=O)N1CCN(C)CC1)c2Sc1ccc(Cl)cc1 ZINC000020466680 210339464 /nfs/dbraw/zinc/33/94/64/210339464.db2.gz HXXJPYLLVOGOGE-UHFFFAOYSA-N 0 0 399.947 4.669 50 0 GJAARN CCn1c2ccccc2nc1CN1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000020119473 210318048 /nfs/dbraw/zinc/31/80/48/210318048.db2.gz MEOZWIWVNWRDLA-KRWDZBQOSA-N 0 0 381.907 4.805 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2C)c1 ZINC000019855313 210305277 /nfs/dbraw/zinc/30/52/77/210305277.db2.gz YOKTYRJNJFPBBT-UHFFFAOYSA-N 0 0 396.494 4.926 50 0 GJAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1ccccc1)CO3 ZINC000019882451 210305178 /nfs/dbraw/zinc/30/51/78/210305178.db2.gz FRFXVMMYKNHELL-UHFFFAOYSA-N 0 0 383.447 4.855 50 0 biogenic GJAARN Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)c1 ZINC000019745797 210291705 /nfs/dbraw/zinc/29/17/05/210291705.db2.gz TXRWLQWWUZKPPE-SANMLTNESA-N 0 0 396.490 4.956 50 0 GJAARN CCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037588098 210281992 /nfs/dbraw/zinc/28/19/92/210281992.db2.gz VVROFTARPPDDPD-UHFFFAOYSA-N 0 0 377.307 4.606 50 0 GJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 ZINC000000729981 220455732 /nfs/dbraw/zinc/45/57/32/220455732.db2.gz HXSCKPKBENPUGE-UHFFFAOYSA-N 0 0 377.494 4.971 50 0 GJAARN Cc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)c1 ZINC000000729842 220456272 /nfs/dbraw/zinc/45/62/72/220456272.db2.gz ORNOAOYHVNRDKI-MRXNPFEDSA-N 0 0 394.418 4.764 50 0 GJAARN O=C1C[C@H](c2ccccc2I)c2ccc3ccccc3c2N1 ZINC000000727821 220456334 /nfs/dbraw/zinc/45/63/34/220456334.db2.gz RHMLSWBIYDCWOH-MRXNPFEDSA-N 0 0 399.231 4.919 50 0 GJAARN O=C(Oc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Br)o1 ZINC000000990386 220472349 /nfs/dbraw/zinc/47/23/49/220472349.db2.gz USRVFRIBEXPUAU-UHFFFAOYSA-N 0 0 386.201 4.514 50 0 GJAARN CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001176142 220481647 /nfs/dbraw/zinc/48/16/47/220481647.db2.gz DUMJDPCZDDZDLE-UHFFFAOYSA-N 0 0 383.300 4.657 50 0 GJAARN COc1cc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cc(OC)c1OC ZINC000003309941 220625153 /nfs/dbraw/zinc/62/51/53/220625153.db2.gz BHNQNFNYCNYJRL-UHFFFAOYSA-N 0 0 386.488 4.984 50 0 GJAARN COc1cc(C=O)ccc1OCCOCCOc1ccc(C)cc1C(C)(C)C ZINC000004702051 220751563 /nfs/dbraw/zinc/75/15/63/220751563.db2.gz GKKZUGFAIYEABS-UHFFFAOYSA-N 0 0 386.488 4.588 50 0 GJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(F)c(F)cc1Cl ZINC000007987725 221019987 /nfs/dbraw/zinc/01/99/87/221019987.db2.gz WZROVHNQJBIJHF-UHFFFAOYSA-N 0 0 397.834 4.782 50 0 GJAARN COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccco1 ZINC000009059939 221068861 /nfs/dbraw/zinc/06/88/61/221068861.db2.gz OWVVJTLJGOPTBA-UHFFFAOYSA-N 0 0 392.459 4.530 50 0 GJAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)c1 ZINC000009660110 221088263 /nfs/dbraw/zinc/08/82/63/221088263.db2.gz RIFYDOGEOIVCHW-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 biogenic GJAARN Oc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000010215383 221098867 /nfs/dbraw/zinc/09/88/67/221098867.db2.gz PZVFKUIUSYFCLE-TZIWHRDSSA-N 0 0 377.831 4.683 50 0 GJAARN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000011814819 221126922 /nfs/dbraw/zinc/12/69/22/221126922.db2.gz HCKGENYKXUCTOJ-MRXNPFEDSA-N 0 0 387.439 4.866 50 0 GJAARN COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCCc1ccccc1 ZINC000012062706 221146255 /nfs/dbraw/zinc/14/62/55/221146255.db2.gz GXPCAPIHAGFRIB-BUHFOSPRSA-N 0 0 398.399 4.611 50 0 GJAARN CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000012094175 221150766 /nfs/dbraw/zinc/15/07/66/221150766.db2.gz FAERYDBUYMBFSZ-QGZVFWFLSA-N 0 0 396.512 4.738 50 0 GJAARN COc1ccc([C@H]2CCCCCN2Cc2nc(-c3ccccc3OC)no2)cc1 ZINC000014019770 221296970 /nfs/dbraw/zinc/29/69/70/221296970.db2.gz FLJBAYIALWESGP-HXUWFJFHSA-N 0 0 393.487 4.871 50 0 GJAARN Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079053 132426390 /nfs/dbraw/zinc/42/63/90/132426390.db2.gz ZEPSVOZUFYJYQO-UHFFFAOYSA-N 0 0 388.442 4.979 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000064928993 136158227 /nfs/dbraw/zinc/15/82/27/136158227.db2.gz ZXVNWEDUHVYPMJ-FQEVSTJZSA-N 0 0 386.499 4.616 50 0 GJAARN O=C(Nc1cccc(Cl)c1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000065023891 136158780 /nfs/dbraw/zinc/15/87/80/136158780.db2.gz QHFQZEQMWXZVAK-UHFFFAOYSA-N 0 0 392.890 4.652 50 0 GJAARN Cc1cccc(N2C(=O)c3ccccc3C[C@@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000065075016 136159055 /nfs/dbraw/zinc/15/90/55/136159055.db2.gz OAWWZQFLDSQCKW-SANMLTNESA-N 0 0 398.506 4.581 50 0 GJAARN CO[C@H](C(=O)Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1 ZINC000089407067 136175505 /nfs/dbraw/zinc/17/55/05/136175505.db2.gz KHGSHOVXWGUVSB-QFIPXVFZSA-N 0 0 375.472 4.551 50 0 GJAARN Cc1cc(NC(=O)c2cc(F)ccc2Br)cnc1N1CCCCC1 ZINC000095462447 136179295 /nfs/dbraw/zinc/17/92/95/136179295.db2.gz UEKIXSMCUWCQJA-UHFFFAOYSA-N 0 0 392.272 4.534 50 0 GJAARN O=c1c2cc(Cl)ccc2scc1N1CCN(c2ccccc2Cl)CC1 ZINC000005087967 136194471 /nfs/dbraw/zinc/19/44/71/136194471.db2.gz XCPDJTFUEXWXGZ-UHFFFAOYSA-N 0 0 391.323 4.895 50 0 GJAARN COc1cc(NC(=O)Cc2cccc3ccccc32)ccc1N1CCCCC1=O ZINC000005441533 136194902 /nfs/dbraw/zinc/19/49/02/136194902.db2.gz QIVQFZCQZMSNSL-UHFFFAOYSA-N 0 0 388.467 4.547 50 0 GJAARN Fc1cccc(-c2cnc(CNc3cccc(Cl)c3N3CCOCC3)o2)c1 ZINC000177187790 136200987 /nfs/dbraw/zinc/20/09/87/136200987.db2.gz HCYMNKJWGOEGAO-UHFFFAOYSA-N 0 0 387.842 4.583 50 0 GJAARN O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000022504949 136203903 /nfs/dbraw/zinc/20/39/03/136203903.db2.gz WBJNRFQBFCICCH-UHFFFAOYSA-N 0 0 399.494 4.644 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)NC1CCCCC1 ZINC000022507593 136204032 /nfs/dbraw/zinc/20/40/32/136204032.db2.gz QYACIRCSQDOZBV-UHFFFAOYSA-N 0 0 377.488 4.620 50 0 GJAARN O=C(NCc1cccs1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000022507670 136204057 /nfs/dbraw/zinc/20/40/57/136204057.db2.gz ROHKJPAXACMTOD-UHFFFAOYSA-N 0 0 391.496 4.549 50 0 GJAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000025711584 221633494 /nfs/dbraw/zinc/63/34/94/221633494.db2.gz NBRKEUABALNHEH-BLGFXRMMSA-N 0 0 386.879 4.564 50 0 GJAARN COc1ccc(C)cc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C ZINC000041076953 221936608 /nfs/dbraw/zinc/93/66/08/221936608.db2.gz NXKWJXFPTZLNKR-UHFFFAOYSA-N 0 0 393.487 4.535 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)c(C)c1 ZINC000064664423 222077740 /nfs/dbraw/zinc/07/77/40/222077740.db2.gz JQIQOGUYVHUOKZ-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)o1 ZINC000064664671 222077933 /nfs/dbraw/zinc/07/79/33/222077933.db2.gz PJUGYSAJYITUGF-UHFFFAOYSA-N 0 0 379.847 4.569 50 0 GJAARN Cc1ccc(-n2ccn3cc(-c4ccc(Br)cc4)nc3c2=O)c(C)c1 ZINC000064675371 222078149 /nfs/dbraw/zinc/07/81/49/222078149.db2.gz LKXOPXMMJXNZHK-UHFFFAOYSA-N 0 0 394.272 4.532 50 0 GJAARN Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccc(F)cc3)cs2)c1N ZINC000064664504 222078471 /nfs/dbraw/zinc/07/84/71/222078471.db2.gz DCKMWFJQYDYTSN-UHFFFAOYSA-N 0 0 385.855 4.741 50 0 GJAARN COc1cccc(CNc2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)c1 ZINC000064676950 222079575 /nfs/dbraw/zinc/07/95/75/222079575.db2.gz RRGGYQNHAIMCLG-UHFFFAOYSA-N 0 0 376.391 4.558 50 0 GJAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCC(C)CC3)n2)cc1 ZINC000064677200 222079767 /nfs/dbraw/zinc/07/97/67/222079767.db2.gz URTXSCRPJFLCPJ-UHFFFAOYSA-N 0 0 379.529 4.846 50 0 GJAARN COc1ccc(-c2cnc(NCc3cccnc3)nc2-c2ccc(C)cc2)cn1 ZINC000065398093 222128197 /nfs/dbraw/zinc/12/81/97/222128197.db2.gz ZNXUNDGENWBSBO-UHFFFAOYSA-N 0 0 383.455 4.530 50 0 GJAARN COc1cccc2ccn(CCC(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)c21 ZINC000409414242 533910669 /nfs/dbraw/zinc/91/06/69/533910669.db2.gz JIWFYYHZQTWXTN-HXUWFJFHSA-N 0 0 387.483 4.715 50 0 GJAARN COc1ccc(C2=CCN(C(=O)c3cc(F)cc(Br)c3)CC2)cc1 ZINC000040122412 518149890 /nfs/dbraw/zinc/14/98/90/518149890.db2.gz GZXRGUAQPVANAM-UHFFFAOYSA-N 0 0 390.252 4.526 50 0 GJAARN Cc1[nH]c2c(cccc2C)c1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000001074468 518185583 /nfs/dbraw/zinc/18/55/83/518185583.db2.gz NMJJGFFRPCVBAZ-UHFFFAOYSA-N 0 0 384.545 4.603 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000904710 521531379 /nfs/dbraw/zinc/53/13/79/521531379.db2.gz PQUDIWNXVLMOQS-UHFFFAOYSA-N 0 0 399.541 4.700 50 0 GJAARN COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCCC3)n2)cc1OC ZINC000000753234 523085486 /nfs/dbraw/zinc/08/54/86/523085486.db2.gz YQTGNVDHCNBVQP-UHFFFAOYSA-N 0 0 375.472 4.818 50 0 GJAARN Cc1ccc(NC(=O)CSCc2cc(=O)oc3c(C)c(C)ccc23)cc1C ZINC000002651807 525073984 /nfs/dbraw/zinc/07/39/84/525073984.db2.gz WVKKOSPCUBQSRP-UHFFFAOYSA-N 0 0 381.497 4.899 50 0 GJAARN C[C@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000033873439 526252599 /nfs/dbraw/zinc/25/25/99/526252599.db2.gz CDGBGSHPXVALFF-INIZCTEOSA-N 0 0 382.485 4.572 50 0 GJAARN CCC[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(OC(F)F)cc2)cc1 ZINC000426505652 527807150 /nfs/dbraw/zinc/80/71/50/527807150.db2.gz FLUSPGMYQSZYRX-GOSISDBHSA-N 0 0 375.415 4.596 50 0 GJAARN CC(C)CNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000408514425 528037132 /nfs/dbraw/zinc/03/71/32/528037132.db2.gz SPIYLKJNKQBWFJ-UHFFFAOYSA-N 0 0 396.922 4.990 50 0 GJAARN CCOc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000002640617 528385923 /nfs/dbraw/zinc/38/59/23/528385923.db2.gz AGAAQVMGPNLOPO-UHFFFAOYSA-N 0 0 378.399 4.717 50 0 GJAARN CCCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000408512959 528409115 /nfs/dbraw/zinc/40/91/15/528409115.db2.gz NNWNXLHNWCUKMW-UHFFFAOYSA-N 0 0 382.895 4.744 50 0 GJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 ZINC000005136062 535441175 /nfs/dbraw/zinc/44/11/75/535441175.db2.gz GZAAGBMQVBYVKC-UHFFFAOYSA-N 0 0 388.467 4.790 50 0 GJAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCc2ccccc2C1 ZINC000072328429 535486363 /nfs/dbraw/zinc/48/63/63/535486363.db2.gz IXDREQHXPNREBE-UHFFFAOYSA-N 0 0 393.918 4.933 50 0 GJAARN CCOc1ccccc1NC(=O)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929349 535526796 /nfs/dbraw/zinc/52/67/96/535526796.db2.gz VTYYTLJJBGDWPN-UHFFFAOYSA-N 0 0 388.471 4.539 50 0 GJAARN COc1ccc2c(c1)CCCN2C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000010542286 536968509 /nfs/dbraw/zinc/96/85/09/536968509.db2.gz HZBBFMBRABTNLE-UHFFFAOYSA-N 0 0 392.524 4.957 50 0 GJAARN COc1ccc(CNC(=O)c2c(C)noc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000023305195 570210466 /nfs/dbraw/zinc/21/04/66/570210466.db2.gz WTIKMKDORASLEJ-UHFFFAOYSA-N 0 0 378.472 4.886 50 0 GJAARN COc1ccc(C[C@H](OC)[C@@H](O)c2ccccc2)c(OCc2ccccc2)c1 ZINC000000622445 570210720 /nfs/dbraw/zinc/21/07/20/570210720.db2.gz MAJBYSWTUGYQHM-ZEQRLZLVSA-N 0 0 378.468 4.565 50 0 GJAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000019731601 570211466 /nfs/dbraw/zinc/21/14/66/570211466.db2.gz ONIBPRJWWZXPDC-MRXNPFEDSA-N 0 0 392.524 4.757 50 0 GJAARN O=c1oc2ccc(Br)cc2cc1-c1ccc(Br)cc1 ZINC000000629104 570211774 /nfs/dbraw/zinc/21/17/74/570211774.db2.gz GXGLENGJHSKTQN-UHFFFAOYSA-N 0 0 380.035 4.985 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 ZINC000000632949 570212203 /nfs/dbraw/zinc/21/22/03/570212203.db2.gz CBANIFXNIQOVJL-UHFFFAOYSA-N 0 0 381.435 4.994 50 0 GJAARN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000000637590 570212938 /nfs/dbraw/zinc/21/29/38/570212938.db2.gz CHQURUJKEPAPBM-AYIBLLACSA-N 0 0 393.486 4.874 50 0 GJAARN CC(C)Sc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000096141310 570213185 /nfs/dbraw/zinc/21/31/85/570213185.db2.gz BNSWLCFPGPSTEZ-HXUWFJFHSA-N 0 0 385.533 4.560 50 0 GJAARN Cc1cc(I)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000000639131 570213348 /nfs/dbraw/zinc/21/33/48/570213348.db2.gz METXRCURPXBAMR-UHFFFAOYSA-N 0 0 386.620 4.897 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000000640926 570213620 /nfs/dbraw/zinc/21/36/20/570213620.db2.gz GSRHNJFELXCFIG-QFIPXVFZSA-N 0 0 388.467 4.969 50 0 GJAARN CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 ZINC000000642796 570213624 /nfs/dbraw/zinc/21/36/24/570213624.db2.gz MXBWVUWONBYREB-UHFFFAOYSA-N 0 0 390.533 4.994 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000000640928 570213629 /nfs/dbraw/zinc/21/36/29/570213629.db2.gz GSRHNJFELXCFIG-JOCHJYFZSA-N 0 0 388.467 4.969 50 0 GJAARN C[C@@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1nc(C2CC2)no1 ZINC000096149280 570214973 /nfs/dbraw/zinc/21/49/73/570214973.db2.gz OYERXBGDDZHEQR-GFCCVEGCSA-N 0 0 384.461 4.715 50 0 GJAARN COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2 ZINC000000672727 570215632 /nfs/dbraw/zinc/21/56/32/570215632.db2.gz IMBHSPNBCJMAOM-IAGOWNOFSA-N 0 0 383.513 4.936 50 0 GJAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 ZINC000000672720 570215767 /nfs/dbraw/zinc/21/57/67/570215767.db2.gz YLSJUMBQFKQHJX-LLVKDONJSA-N 0 0 376.909 4.658 50 0 GJAARN C[C@@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000678435 570216482 /nfs/dbraw/zinc/21/64/82/570216482.db2.gz QLUMTOGTQHGBPT-SGDKSWKTSA-N 0 0 383.422 4.612 50 0 GJAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1F ZINC000000681039 570216814 /nfs/dbraw/zinc/21/68/14/570216814.db2.gz VIIGKPVWHIDMOE-UHFFFAOYSA-N 0 0 391.427 4.761 50 0 GJAARN COc1ccc(Oc2ccc(NC(=O)N(C)CCC[C@@H]3CCCO3)cc2)cc1 ZINC000096163018 570217273 /nfs/dbraw/zinc/21/72/73/570217273.db2.gz SVFRWONEJHVKRB-LJQANCHMSA-N 0 0 384.476 4.910 50 0 GJAARN Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000000687257 570217789 /nfs/dbraw/zinc/21/77/89/570217789.db2.gz AKGRGWMCGLMXDT-CPNJWEJPSA-N 0 0 377.831 4.536 50 0 GJAARN CN(C)C(=O)c1cc(-c2cnc(-c3c[nH]c4ccccc43)nc2)nc2ccccc21 ZINC000019771133 570217996 /nfs/dbraw/zinc/21/79/96/570217996.db2.gz ULUQRVBDMNSKBW-UHFFFAOYSA-N 0 0 393.450 4.542 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 ZINC000004304994 570218119 /nfs/dbraw/zinc/21/81/19/570218119.db2.gz UBYNUOTWBNXRDC-IBGZPJMESA-N 0 0 381.863 4.859 50 0 GJAARN CSc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)cc1 ZINC000000709839 570219238 /nfs/dbraw/zinc/21/92/38/570219238.db2.gz OYAAIWTWILYLQZ-UHFFFAOYSA-N 0 0 386.336 4.589 50 0 GJAARN O=C(CSc1cccc2cccnc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000000718007 570219946 /nfs/dbraw/zinc/21/99/46/570219946.db2.gz NOHXAABDYWXZIV-UHFFFAOYSA-N 0 0 378.375 4.864 50 0 GJAARN 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570236544 /nfs/dbraw/zinc/23/65/44/570236544.db2.gz NEKZPXNMWXCRKR-UHFFFAOYSA-N 0 0 376.803 4.723 50 0 GJAARN CCOC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N ZINC000001036756 570236782 /nfs/dbraw/zinc/23/67/82/570236782.db2.gz ZETNLSPJEBYALN-UHFFFAOYSA-N 0 0 375.453 4.784 50 0 GJAARN CC(=O)OCc1ccccc1Sc1ccccc1C(=O)NCc1ccccc1 ZINC000001039005 570237269 /nfs/dbraw/zinc/23/72/69/570237269.db2.gz VYYKUBMIOMUXOO-UHFFFAOYSA-N 0 0 391.492 4.831 50 0 GJAARN COc1ccc2sc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000001040719 570237297 /nfs/dbraw/zinc/23/72/97/570237297.db2.gz BHFHKLQXNGXXPN-UHFFFAOYSA-N 0 0 396.255 4.574 50 0 GJAARN CCSc1cc(C(F)(F)F)nc2c(Br)c(C(C)(C)C)nn21 ZINC000001039260 570237322 /nfs/dbraw/zinc/23/73/22/570237322.db2.gz FBNBZBSYDDJLRB-UHFFFAOYSA-N 0 0 382.249 4.920 50 0 GJAARN O=C(C1CCC1)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023312370 570237411 /nfs/dbraw/zinc/23/74/11/570237411.db2.gz QJTGXQXHKFVQCI-UHFFFAOYSA-N 0 0 377.463 4.806 50 0 GJAARN C[C@H]1C[C@@H]1C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023312287 570237461 /nfs/dbraw/zinc/23/74/61/570237461.db2.gz PLMUOHDAJSHRTB-KXBFYZLASA-N 0 0 377.463 4.662 50 0 GJAARN Cc1cc([C@]2(O)CSc3nc4cc(C(F)(F)F)ccc4n32)ccc1Cl ZINC000001040759 570237696 /nfs/dbraw/zinc/23/76/96/570237696.db2.gz JWEVINUIIAAXBV-MRXNPFEDSA-N 0 0 384.810 4.816 50 0 GJAARN O=C(Cc1csc2ccccc12)Nc1ccc(I)cc1 ZINC000001046089 570238377 /nfs/dbraw/zinc/23/83/77/570238377.db2.gz BVJAEFHIAIGFMO-UHFFFAOYSA-N 0 0 393.249 4.687 50 0 GJAARN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 ZINC000001061204 570239416 /nfs/dbraw/zinc/23/94/16/570239416.db2.gz FXZXTABSWBVKIJ-UHFFFAOYSA-N 0 0 387.892 4.602 50 0 GJAARN O=C(Nc1ccccc1I)c1cc(Cl)ccc1Cl ZINC000001097933 570241950 /nfs/dbraw/zinc/24/19/50/570241950.db2.gz DHRLZRDRTGCVKR-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN CCc1cc(I)ccc1NC(=O)c1cccc(Cl)c1 ZINC000001113203 570242698 /nfs/dbraw/zinc/24/26/98/570242698.db2.gz KCICXLSUCQXFBX-UHFFFAOYSA-N 0 0 385.632 4.759 50 0 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CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)c2cccs2)c1C ZINC000085711459 570253220 /nfs/dbraw/zinc/25/32/20/570253220.db2.gz MSLNCOHOMJFDSC-UHFFFAOYSA-N 0 0 396.512 4.712 50 0 GJAARN O=C1c2ccccc2C(=O)N1CNc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000640429 570254191 /nfs/dbraw/zinc/25/41/91/570254191.db2.gz PFZOAFBNXMERGM-UHFFFAOYSA-N 0 0 378.815 4.798 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 ZINC000001184308 570256232 /nfs/dbraw/zinc/25/62/32/570256232.db2.gz XTCCGDRMTZENGT-UHFFFAOYSA-N 0 0 399.541 4.856 50 0 GJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 ZINC000001186256 570256505 /nfs/dbraw/zinc/25/65/05/570256505.db2.gz JJLJNIPLXXBHGX-UHFFFAOYSA-N 0 0 388.448 4.987 50 0 GJAARN Cc1nc(SCC(=O)Nc2ccc(C)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000049007191 570258335 /nfs/dbraw/zinc/25/83/35/570258335.db2.gz XDZRBUABIVYYOB-UHFFFAOYSA-N 0 0 384.892 4.540 50 0 GJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000011656704 570258638 /nfs/dbraw/zinc/25/86/38/570258638.db2.gz XXRUMRRSWYQWDV-CYBMUJFWSA-N 0 0 391.471 4.512 50 0 GJAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000001225928 570259304 /nfs/dbraw/zinc/25/93/04/570259304.db2.gz ZRKUNPONQAFOKU-VUUXHMSQSA-N 0 0 379.459 4.566 50 0 GJAARN Cc1ccc(NC(=O)Nc2nnc(COc3c(C)cccc3C)s2)cc1C ZINC000001247740 570259595 /nfs/dbraw/zinc/25/95/95/570259595.db2.gz ZQXYBBXEBLIFIG-UHFFFAOYSA-N 0 0 382.489 4.995 50 0 GJAARN Cn1cccc1CN(Cc1cccs1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000049026681 570259646 /nfs/dbraw/zinc/25/96/46/570259646.db2.gz OEPPWLMIIOBDDN-UHFFFAOYSA-N 0 0 378.419 4.948 50 0 GJAARN CC[C@@]1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3OC)c(=O)c21 ZINC000001268535 570260174 /nfs/dbraw/zinc/26/01/74/570260174.db2.gz WVSQFRSNDJCTOA-QFIPXVFZSA-N 0 0 378.497 4.794 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2cccc(F)c2)n1 ZINC000049004683 570262099 /nfs/dbraw/zinc/26/20/99/570262099.db2.gz ISNIRBFBBISEDP-UHFFFAOYSA-N 0 0 378.451 4.837 50 0 GJAARN Cc1ccc(N2C[C@@H](c3noc(-c4ccc(C(C)(C)C)cc4)n3)CC2=O)cc1 ZINC000049060468 570262495 /nfs/dbraw/zinc/26/24/95/570262495.db2.gz YBHMVFWJYOLLNQ-KRWDZBQOSA-N 0 0 375.472 4.863 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000023321244 570262843 /nfs/dbraw/zinc/26/28/43/570262843.db2.gz BRMQTXSLGIVXAG-UHFFFAOYSA-N 0 0 379.481 4.849 50 0 GJAARN COc1ccc(C(=O)N[C@H](Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000001446728 570263345 /nfs/dbraw/zinc/26/33/45/570263345.db2.gz FQYKRNZMYTYPMX-INIZCTEOSA-N 0 0 387.694 4.542 50 0 biogenic GJAARN Cc1[nH]c2c(cccc2Cl)c1CCN1C(=O)OC2(CCCCC2)[C@@]1(C)O ZINC000001444470 570263478 /nfs/dbraw/zinc/26/34/78/570263478.db2.gz KBUMGCOIRAVGQK-LJQANCHMSA-N 0 0 376.884 4.536 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020494848 570263898 /nfs/dbraw/zinc/26/38/98/570263898.db2.gz FQAQONQZGIHVEA-UHFFFAOYSA-N 0 0 397.828 4.709 50 0 GJAARN O=C(Nc1ccccc1I)c1ccc(Cl)cc1Cl ZINC000001500191 570264053 /nfs/dbraw/zinc/26/40/53/570264053.db2.gz LLEIXLWJRBEBND-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000001498466 570264136 /nfs/dbraw/zinc/26/41/36/570264136.db2.gz JFMAWPUWBGOLET-UHFFFAOYSA-N 0 0 386.588 4.809 50 0 GJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC000098212199 570264318 /nfs/dbraw/zinc/26/43/18/570264318.db2.gz LXJTUEPHTWGALG-KRWDZBQOSA-N 0 0 397.862 4.684 50 0 GJAARN COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000001516956 570264615 /nfs/dbraw/zinc/26/46/15/570264615.db2.gz YGFUWHLAZVNHKO-UHFFFAOYSA-N 0 0 392.436 4.904 50 0 GJAARN Cc1c(C2=N/C(=C/c3ccc(Cl)c(Cl)c3)C(=O)O2)cccc1[N+](=O)[O-] ZINC000001516248 570264956 /nfs/dbraw/zinc/26/49/56/570264956.db2.gz ULNHOKPTGUTMRO-RIYZIHGNSA-N 0 0 377.183 4.555 50 0 GJAARN Cc1ccc(N2C(=O)C[C@H](Sc3nc4ccccc4s3)C2=O)cc1Cl ZINC000100112541 570266291 /nfs/dbraw/zinc/26/62/91/570266291.db2.gz QDBRMUZOZZBPNQ-HNNXBMFYSA-N 0 0 388.901 4.682 50 0 GJAARN COc1ccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc32)cc1Cl ZINC000049420748 570266771 /nfs/dbraw/zinc/26/67/71/570266771.db2.gz QOEQQIXLMQYNTH-UHFFFAOYSA-N 0 0 381.823 4.702 50 0 GJAARN COc1ccc(OCCSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 ZINC000012854664 570267291 /nfs/dbraw/zinc/26/72/91/570267291.db2.gz VUDMKHDTQXFHDB-ZDUSSCGKSA-N 0 0 390.436 4.528 50 0 GJAARN C[C@@H](OCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000012860981 570267974 /nfs/dbraw/zinc/26/79/74/570267974.db2.gz CJFAOAVKMJZMKE-QGZVFWFLSA-N 0 0 396.462 4.697 50 0 GJAARN CCCCOc1ccccc1NC(=O)COc1ccc(C)cc1Br ZINC000001777470 570268393 /nfs/dbraw/zinc/26/83/93/570268393.db2.gz SHVAUYFRXNHBGV-UHFFFAOYSA-N 0 0 392.293 4.954 50 0 GJAARN C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1Br ZINC000012861359 570268418 /nfs/dbraw/zinc/26/84/18/570268418.db2.gz SGZXUSFTKDJVAU-GFCCVEGCSA-N 0 0 394.290 4.577 50 0 GJAARN CCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1 ZINC000001778018 570268440 /nfs/dbraw/zinc/26/84/40/570268440.db2.gz SSKYQBJFNOZHPY-JLHYYAGUSA-N 0 0 399.512 4.854 50 0 GJAARN CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 ZINC000012866987 570269448 /nfs/dbraw/zinc/26/94/48/570269448.db2.gz GMLGIPNQMYKQRM-UHFFFAOYSA-N 0 0 384.435 4.610 50 0 GJAARN CCOC(=O)c1cnc(-c2ccc(OC)cc2)nc1NCc1cccc(C)c1C ZINC000023322211 570270505 /nfs/dbraw/zinc/27/05/05/570270505.db2.gz PXHVJLWJUPJZRF-UHFFFAOYSA-N 0 0 391.471 4.558 50 0 GJAARN COC(=O)Cn1nc(C)c2c1nc(-c1cccc3ccccc31)cc2C(F)F ZINC000020615395 570272439 /nfs/dbraw/zinc/27/24/39/570272439.db2.gz JSCBVFMHWLZLPX-UHFFFAOYSA-N 0 0 381.382 4.671 50 0 GJAARN Cc1ccc(C)c(NC(=O)c2ccn([C@@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000020617311 570272894 /nfs/dbraw/zinc/27/28/94/570272894.db2.gz AVHYUYIDRIOXSR-SFHVURJKSA-N 0 0 390.487 4.569 50 0 GJAARN COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2cccs2)sc2c1CCCC2 ZINC000015837766 570275029 /nfs/dbraw/zinc/27/50/29/570275029.db2.gz JTDQYSDSFVYWNB-CYBMUJFWSA-N 0 0 390.530 4.844 50 0 GJAARN Cc1ccccc1Cc1nnc2sc(Cc3ccc(Cl)cc3Cl)nn12 ZINC000002182920 570277522 /nfs/dbraw/zinc/27/75/22/570277522.db2.gz JRFBXGWZRNHWHV-UHFFFAOYSA-N 0 0 389.311 4.983 50 0 GJAARN COc1ccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)cc1 ZINC000015858696 570277644 /nfs/dbraw/zinc/27/76/44/570277644.db2.gz WQESNIMMHQHZKD-UHFFFAOYSA-N 0 0 395.462 4.796 50 0 GJAARN CCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 ZINC000002187921 570278178 /nfs/dbraw/zinc/27/81/78/570278178.db2.gz GICPNQHQHSTXJF-GOSISDBHSA-N 0 0 380.473 4.552 50 0 GJAARN COc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000002189046 570278193 /nfs/dbraw/zinc/27/81/93/570278193.db2.gz MNGCYDLCKBXSBD-OAQYLSRUSA-N 0 0 377.469 4.685 50 0 aggregator GJAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cccc(Br)c1 ZINC000020739782 570278452 /nfs/dbraw/zinc/27/84/52/570278452.db2.gz GIUGLSUDEDEYTI-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)nc2c1 ZINC000002220708 570279510 /nfs/dbraw/zinc/27/95/10/570279510.db2.gz VPUXHAPJFXGJQD-UHFFFAOYSA-N 0 0 377.425 4.523 50 0 GJAARN C[C@H](Sc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)C(=O)Nc1ccccc1 ZINC000002311539 570282279 /nfs/dbraw/zinc/28/22/79/570282279.db2.gz SOEHJUIKOFJQBH-NEPJUHHUSA-N 0 0 398.557 4.518 50 0 GJAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1 ZINC000015881475 570282932 /nfs/dbraw/zinc/28/29/32/570282932.db2.gz SHUNQXHVWLCQOH-UHFFFAOYSA-N 0 0 394.862 4.936 50 0 GJAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)N[C@H](C)CC)CC(C)C)n1 ZINC000006774879 570283592 /nfs/dbraw/zinc/28/35/92/570283592.db2.gz GJZQWPDAIWATJP-OAHLLOKOSA-N 0 0 390.959 4.613 50 0 GJAARN CC(=O)n1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c2ccccc21 ZINC000000656854 570284827 /nfs/dbraw/zinc/28/48/27/570284827.db2.gz XARHZZOCHBTSGH-DEDYPNTBSA-N 0 0 386.451 4.943 50 0 GJAARN CN1C(=O)c2ccccc2N[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000020936310 570285431 /nfs/dbraw/zinc/28/54/31/570285431.db2.gz FTMLMXMWEQRGPF-HXUWFJFHSA-N 0 0 391.858 4.789 50 0 GJAARN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc43)ncc21 ZINC000002405307 570285987 /nfs/dbraw/zinc/28/59/87/570285987.db2.gz WZISPANGNCHOIH-MRXNPFEDSA-N 0 0 375.859 4.737 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3Br)s2)cs1 ZINC000012894074 570286538 /nfs/dbraw/zinc/28/65/38/570286538.db2.gz GULYEUDQHIGTJP-UHFFFAOYSA-N 0 0 393.331 4.873 50 0 GJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000002431256 570286610 /nfs/dbraw/zinc/28/66/10/570286610.db2.gz RWCQECVSGRIMTJ-UHFFFAOYSA-N 0 0 395.768 4.980 50 0 GJAARN CC(C)(C)c1cc(NC[C@@H]2CCCO2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002443975 570287298 /nfs/dbraw/zinc/28/72/98/570287298.db2.gz HSTQLXGROISXQO-INIZCTEOSA-N 0 0 384.911 4.938 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1ccc(F)cc1 ZINC000021038040 570287595 /nfs/dbraw/zinc/28/75/95/570287595.db2.gz WJFFHBPTPMJLOL-IBGZPJMESA-N 0 0 391.377 4.534 50 0 GJAARN CCOc1cc(NC(=O)C2CCCC2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000020886009 570288092 /nfs/dbraw/zinc/28/80/92/570288092.db2.gz JODBMMLVNJVSCL-UHFFFAOYSA-N 0 0 396.487 4.865 50 0 GJAARN Nc1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 ZINC000002519717 570289722 /nfs/dbraw/zinc/28/97/22/570289722.db2.gz GMCCAQCUFDMXGL-JGVFFNPUSA-N 0 0 385.889 4.785 50 0 GJAARN CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000002537662 570290431 /nfs/dbraw/zinc/29/04/31/570290431.db2.gz CUXNDQFGQMBBKY-GDBMZVCRSA-N 0 0 381.398 4.844 50 0 GJAARN CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Cl)c1OCCc1ccccc1 ZINC000000679169 570290474 /nfs/dbraw/zinc/29/04/74/570290474.db2.gz QSTBXAQZUKEGNL-LDADJPATSA-N 0 0 385.847 4.676 50 0 GJAARN C[C@H](Nc1ncnc2scc(-c3ccccc3)c21)[C@@H](O)c1ccc(O)cc1 ZINC000012913307 570291667 /nfs/dbraw/zinc/29/16/67/570291667.db2.gz XOVOKWMGJCUAOS-ORAYPTAESA-N 0 0 377.469 4.598 50 0 GJAARN CCc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000002605460 570292206 /nfs/dbraw/zinc/29/22/06/570292206.db2.gz NJJPUYKVSZXUAP-UHFFFAOYSA-N 0 0 386.521 4.506 50 0 GJAARN CN(Cc1ccc2ncccc2c1)C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 ZINC000216002448 570294707 /nfs/dbraw/zinc/29/47/07/570294707.db2.gz DGLPHFCXDBFWSS-QHCPKHFHSA-N 0 0 391.490 4.560 50 0 GJAARN Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790459 570295815 /nfs/dbraw/zinc/29/58/15/570295815.db2.gz YRLORDYXVSYQEH-UHFFFAOYSA-N 0 0 380.801 4.977 50 0 GJAARN CCn1c(=S)n(CN2CCc3sccc3C2)nc1-c1ccc(Cl)cc1 ZINC000012924914 570296144 /nfs/dbraw/zinc/29/61/44/570296144.db2.gz FSFWZBOHGPEESG-UHFFFAOYSA-N 0 0 390.965 4.832 50 0 GJAARN CCOc1cc2c(cc1NC(=O)c1csc(-c3ccsc3)n1)O[C@@H](C)C2 ZINC000021837630 570297488 /nfs/dbraw/zinc/29/74/88/570297488.db2.gz YRBJNJHHXMPTFX-NSHDSACASA-N 0 0 386.498 4.846 50 0 GJAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(OC(F)(F)F)cc1 ZINC000000708711 570297814 /nfs/dbraw/zinc/29/78/14/570297814.db2.gz FVNCFMNPSIIUQY-UHFFFAOYSA-N 0 0 384.404 4.926 50 0 GJAARN O=C(N/C(=C/c1ccccc1Cl)C(=O)N1CCCCCC1)c1ccccc1 ZINC000000709099 570297828 /nfs/dbraw/zinc/29/78/28/570297828.db2.gz XJLZRVHRFTVQMV-CAPFRKAQSA-N 0 0 382.891 4.514 50 0 GJAARN O=C(NCc1cc2ccccc2[nH]1)c1ccc(COc2ccccc2Cl)o1 ZINC000002755087 570298408 /nfs/dbraw/zinc/29/84/08/570298408.db2.gz SEFOZLUGDXSNAL-UHFFFAOYSA-N 0 0 380.831 4.923 50 0 GJAARN CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000005240714 570300814 /nfs/dbraw/zinc/30/08/14/570300814.db2.gz AJSPAHCMFRYSHG-UHFFFAOYSA-N 0 0 384.482 4.903 50 0 GJAARN O=C(Nc1ccc(SC(F)F)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000012933154 570304090 /nfs/dbraw/zinc/30/40/90/570304090.db2.gz VLOHWVMGUNRRPY-AWEZNQCLSA-N 0 0 379.428 4.811 50 0 GJAARN COc1ccc([C@H]2CCCCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000022185708 570306806 /nfs/dbraw/zinc/30/68/06/570306806.db2.gz ZZPVYQPGYOCFLB-HXUWFJFHSA-N 0 0 397.906 4.702 50 0 GJAARN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002848280 570308020 /nfs/dbraw/zinc/30/80/20/570308020.db2.gz IHJBPIAYFWKQNI-KRWDZBQOSA-N 0 0 377.440 4.680 50 0 GJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000002850331 570308344 /nfs/dbraw/zinc/30/83/44/570308344.db2.gz IKIHJVJWZYYSGE-GOSISDBHSA-N 0 0 389.411 4.793 50 0 GJAARN CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000002854104 570309420 /nfs/dbraw/zinc/30/94/20/570309420.db2.gz SVDBKMPQXCOTSS-UHFFFAOYSA-N 0 0 395.286 4.541 50 0 GJAARN O=C(Nc1cc(Cl)cc(Cl)c1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000022240103 570309817 /nfs/dbraw/zinc/30/98/17/570309817.db2.gz PKMCCBDCVYYCPZ-UHFFFAOYSA-N 0 0 398.311 4.719 50 0 GJAARN O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000002861046 570311378 /nfs/dbraw/zinc/31/13/78/570311378.db2.gz IJTLSDASTZILSR-UHFFFAOYSA-N 0 0 396.240 4.921 50 0 GJAARN Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)c1C ZINC000012936701 570311901 /nfs/dbraw/zinc/31/19/01/570311901.db2.gz TVCWUEJKONOTSV-UHFFFAOYSA-N 0 0 386.495 4.948 50 0 GJAARN O=C(Cn1c2ccccc2nc1SC(F)F)N1CCC[C@@H]1c1ccccc1 ZINC000022328712 570313655 /nfs/dbraw/zinc/31/36/55/570313655.db2.gz DPJDANQRSMRVDW-MRXNPFEDSA-N 0 0 387.455 4.715 50 0 GJAARN COC(=O)c1ccc(CN(C)c2nc(-c3ccsc3)nc3ccccc32)cc1 ZINC000012940054 570313920 /nfs/dbraw/zinc/31/39/20/570313920.db2.gz ILZNTRWWXNTIBA-UHFFFAOYSA-N 0 0 389.480 4.781 50 0 GJAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC(C)C)cc1 ZINC000575443215 570314264 /nfs/dbraw/zinc/31/42/64/570314264.db2.gz LZBRQXCJSGRQRV-OAQYLSRUSA-N 0 0 377.488 4.678 50 0 GJAARN O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@@H]1CC=CCC1)N1C(=O)C[C@@H]1c1ccccc1 ZINC000575443601 570314424 /nfs/dbraw/zinc/31/44/24/570314424.db2.gz VYDFSAOBHSIAFI-XANCMCCPSA-N 0 0 399.494 4.805 50 0 GJAARN CCCCc1nnc(NC(=O)c2c(C)onc2-c2ccccc2Cl)s1 ZINC000002874829 570314646 /nfs/dbraw/zinc/31/46/46/570314646.db2.gz OHKDVTARYHUZRS-UHFFFAOYSA-N 0 0 376.869 4.750 50 0 GJAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000002877537 570315154 /nfs/dbraw/zinc/31/51/54/570315154.db2.gz GJXVOVBADSBQJM-UHFFFAOYSA-N 0 0 386.373 4.892 50 0 GJAARN COc1cc([C@H]2Oc3cc(C=O)ccc3O[C@@H]2C)ccc1OCc1ccccc1 ZINC000006183294 570315579 /nfs/dbraw/zinc/31/55/79/570315579.db2.gz PBHJJSWRYLQYQR-GYCJOSAFSA-N 0 0 390.435 4.988 50 0 GJAARN O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1cccc2ccccc21 ZINC000038739608 570316347 /nfs/dbraw/zinc/31/63/47/570316347.db2.gz FWILBWPBGKSCDC-UHFFFAOYSA-N 0 0 393.493 4.791 50 0 GJAARN 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/nfs/dbraw/zinc/43/01/04/570430104.db2.gz XZVSITAWEJANLD-GMAHTHKFSA-N 0 0 390.870 5.591 50 0 GJAARN C[C@H](Sc1ncnc2ccsc21)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000026954644 570430155 /nfs/dbraw/zinc/43/01/55/570430155.db2.gz IBSBCLXNEQPFAU-NSHDSACASA-N 0 0 398.538 4.934 50 0 GJAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 ZINC000027019549 570430841 /nfs/dbraw/zinc/43/08/41/570430841.db2.gz JPDFZZDWBRAKTE-UHFFFAOYSA-N 0 0 387.530 4.584 50 0 GJAARN CC(C)c1oc([C@H]2CCCN2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 ZINC000241930362 570431833 /nfs/dbraw/zinc/43/18/33/570431833.db2.gz UHYOTCOMLSQKFP-NHCUHLMSSA-N 0 0 398.547 5.188 50 0 GJAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(C)C ZINC000027408984 570434519 /nfs/dbraw/zinc/43/45/19/570434519.db2.gz KPZPTUCRMSFCRI-FDDCHVKYSA-N 0 0 388.511 4.780 50 0 GJAARN COc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2c1 ZINC000011807081 570436229 /nfs/dbraw/zinc/43/62/29/570436229.db2.gz BWWHHQCPUYYHPB-UHFFFAOYSA-N 0 0 379.441 4.531 50 0 GJAARN O=C(Nc1ccc(SC(F)F)cc1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000027642805 570437856 /nfs/dbraw/zinc/43/78/56/570437856.db2.gz HTDLAESLMBFUQY-INIZCTEOSA-N 0 0 379.428 4.811 50 0 GJAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3cccs3)C[C@H]21 ZINC000100747971 570438511 /nfs/dbraw/zinc/43/85/11/570438511.db2.gz GEGZPNAYWBGVQD-IIBYNOLFSA-N 0 0 384.501 4.586 50 0 biogenic GJAARN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000027693098 570440143 /nfs/dbraw/zinc/44/01/43/570440143.db2.gz WZGNCFGHCLFZIQ-UHFFFAOYSA-N 0 0 375.859 4.919 50 0 GJAARN O=C(Cn1c2ccccc2nc1Cc1cccc2ccccc21)N1CCCCC1 ZINC000027696474 570440201 /nfs/dbraw/zinc/44/02/01/570440201.db2.gz QDFZYKLOQZWLJA-UHFFFAOYSA-N 0 0 383.495 4.793 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)no2)cc1F ZINC000027744748 570441224 /nfs/dbraw/zinc/44/12/24/570441224.db2.gz CTNWTFCAYILEEL-UHFFFAOYSA-N 0 0 380.375 4.818 50 0 GJAARN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000001903916 570441498 /nfs/dbraw/zinc/44/14/98/570441498.db2.gz PUZXYWSFCYIWBJ-UHFFFAOYSA-N 0 0 398.484 4.625 50 0 GJAARN CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2)n1 ZINC000027775876 570442548 /nfs/dbraw/zinc/44/25/48/570442548.db2.gz XZPNAUGBJMMWGP-AWEZNQCLSA-N 0 0 392.484 4.575 50 0 GJAARN CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2c1 ZINC000027794836 570443110 /nfs/dbraw/zinc/44/31/10/570443110.db2.gz CVIHAQKSMLMBOV-UHFFFAOYSA-N 0 0 393.464 4.853 50 0 GJAARN Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3ccco3)cc(=O)c2cc1Cl ZINC000027793578 570443129 /nfs/dbraw/zinc/44/31/29/570443129.db2.gz OJNQHWFCLQATJM-UHFFFAOYSA-N 0 0 397.814 4.783 50 0 GJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)CC(C)(C)C)C2CC2)o1 ZINC000035767106 570443800 /nfs/dbraw/zinc/44/38/00/570443800.db2.gz QIFZXGTXDOWMNI-UHFFFAOYSA-N 0 0 396.531 4.544 50 0 GJAARN CCCCOc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Cl ZINC000027823974 570443895 /nfs/dbraw/zinc/44/38/95/570443895.db2.gz TZAYZDZOFCZTBQ-CQSZACIVSA-N 0 0 379.909 4.659 50 0 GJAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCO[C@@H](c2ccccc2)C1 ZINC000027899182 570444618 /nfs/dbraw/zinc/44/46/18/570444618.db2.gz KLQGGZANWBPMAL-XMMPIXPASA-N 0 0 395.462 4.511 50 0 GJAARN Cc1cccc2c(C)cc3nnc(SCC(=O)Nc4ccc(Cl)cc4)n3c12 ZINC000011903179 570445193 /nfs/dbraw/zinc/44/51/93/570445193.db2.gz YNOQZNADEJSTEN-UHFFFAOYSA-N 0 0 396.903 4.884 50 0 GJAARN COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 ZINC000005698682 570451885 /nfs/dbraw/zinc/45/18/85/570451885.db2.gz XFSJYCLLKNPJPW-KGENOOAVSA-N 0 0 399.446 4.927 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000000648334 570452448 /nfs/dbraw/zinc/45/24/48/570452448.db2.gz POZGNODQNIDMFN-UHFFFAOYSA-N 0 0 386.300 4.975 50 0 GJAARN CN(C)C(=O)c1ccc(Cl)c(NC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000044499247 570452475 /nfs/dbraw/zinc/45/24/75/570452475.db2.gz KMJQXLIOSSIPSR-UHFFFAOYSA-N 0 0 379.287 4.657 50 0 GJAARN CCN(CC)C(=O)[C@@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1Cl ZINC000012000394 570453570 /nfs/dbraw/zinc/45/35/70/570453570.db2.gz ZEWXCXOJRUFOFC-CQSZACIVSA-N 0 0 399.874 4.749 50 0 GJAARN c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000005739540 570454600 /nfs/dbraw/zinc/45/46/00/570454600.db2.gz GDHYHXISVVXYFL-IERDGZPVSA-N 0 0 376.437 4.719 50 0 GJAARN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)c1 ZINC000028291370 570456049 /nfs/dbraw/zinc/45/60/49/570456049.db2.gz BIJRZTYZEDOPIU-UHFFFAOYSA-N 0 0 380.875 4.964 50 0 GJAARN CC(C)N1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O ZINC000005789774 570456893 /nfs/dbraw/zinc/45/68/93/570456893.db2.gz YFAYFACWNJKPDW-XNTDXEJSSA-N 0 0 391.290 4.685 50 0 GJAARN Brc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1 ZINC000072273539 570458204 /nfs/dbraw/zinc/45/82/04/570458204.db2.gz BREGANKGVWUAMZ-UHFFFAOYSA-N 0 0 377.282 4.586 50 0 GJAARN Cc1noc(C)c1N(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000130011097 570463420 /nfs/dbraw/zinc/46/34/20/570463420.db2.gz OKYOJJXEUHBEQH-UHFFFAOYSA-N 0 0 382.386 4.579 50 0 GJAARN O=C1[C@@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)N1c1cccc2ccccc21 ZINC000002268093 570463522 /nfs/dbraw/zinc/46/35/22/570463522.db2.gz OTPTYRJAUBCJOA-ICSRJNTNSA-N 0 0 378.428 4.562 50 0 GJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cccc(F)c5)n3n2)CCCC4)cc1 ZINC000064449928 570464475 /nfs/dbraw/zinc/46/44/75/570464475.db2.gz MHWGMEDXRBLXOF-UHFFFAOYSA-N 0 0 387.462 4.785 50 0 GJAARN CC(C)C[C@@H](C)N(C(=O)c1cccc2c1oc(=O)n2C)c1ccc2[nH]ccc2c1 ZINC000130772147 570464588 /nfs/dbraw/zinc/46/45/88/570464588.db2.gz NJNIXHGFHQIKOM-OAHLLOKOSA-N 0 0 391.471 4.694 50 0 GJAARN CN(C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ncccc1F ZINC000130925693 570465370 /nfs/dbraw/zinc/46/53/70/570465370.db2.gz VGBNWXQYWTZPDG-UHFFFAOYSA-N 0 0 378.375 4.827 50 0 GJAARN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000132274138 570466552 /nfs/dbraw/zinc/46/65/52/570466552.db2.gz PHLPLIMMQLFGDX-UHFFFAOYSA-N 0 0 381.426 4.694 50 0 GJAARN O=C(COc1ccccc1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000029013032 570467236 /nfs/dbraw/zinc/46/72/36/570467236.db2.gz YAVZRHWTUJEKQI-UHFFFAOYSA-N 0 0 378.375 4.846 50 0 GJAARN Cc1nc(C2(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CCCCC2)no1 ZINC000029058268 570467766 /nfs/dbraw/zinc/46/77/66/570467766.db2.gz MUYQDRMOWLUOIE-UHFFFAOYSA-N 0 0 399.535 4.810 50 0 GJAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1 ZINC000133717650 570468463 /nfs/dbraw/zinc/46/84/63/570468463.db2.gz PQPBLNWNQCJCQL-UHFFFAOYSA-N 0 0 386.333 4.593 50 0 GJAARN CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000035882598 570471125 /nfs/dbraw/zinc/47/11/25/570471125.db2.gz KTQLOLSJZZPXLH-ROUUACIJSA-N 0 0 389.282 4.642 50 0 biogenic GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029269064 570471281 /nfs/dbraw/zinc/47/12/81/570471281.db2.gz VFXZTUADJHKVPA-JUXOCIIHSA-N 0 0 397.563 4.746 50 0 GJAARN O=C(c1ccc2c3c(cccc31)CC2)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029268519 570471297 /nfs/dbraw/zinc/47/12/97/570471297.db2.gz KMJRLRQLOHXLHY-UHFFFAOYSA-N 0 0 381.479 4.835 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@H]3CCCC[C@H]3C)c2n1 ZINC000006547132 570472515 /nfs/dbraw/zinc/47/25/15/570472515.db2.gz URMJRJFLOISXIV-BZNIZROVSA-N 0 0 381.303 4.924 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(Cc2ccccc2)o1 ZINC000006544107 570473829 /nfs/dbraw/zinc/47/38/29/570473829.db2.gz ICFZLVRKPMJVSH-AWEZNQCLSA-N 0 0 377.469 4.814 50 0 GJAARN Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1cccc(C)c1 ZINC000029505789 570475426 /nfs/dbraw/zinc/47/54/26/570475426.db2.gz ZMVCCKYEFXEDFO-UHFFFAOYSA-N 0 0 375.350 4.640 50 0 GJAARN COc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cs2)cc1 ZINC000029611929 570476757 /nfs/dbraw/zinc/47/67/57/570476757.db2.gz NLVUFCMIZUXULM-ZIAGYGMSSA-N 0 0 384.423 4.670 50 0 GJAARN Cc1noc(-c2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cc2)n1 ZINC000029639602 570477158 /nfs/dbraw/zinc/47/71/58/570477158.db2.gz VBHGPCIRKSNSSC-UHFFFAOYSA-N 0 0 391.427 4.729 50 0 GJAARN Cc1ccc(-c2nc(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)cs2)c(C)c1 ZINC000252570817 570477617 /nfs/dbraw/zinc/47/76/17/570477617.db2.gz XHWBLGKGEDBPNQ-UHFFFAOYSA-N 0 0 395.459 4.703 50 0 GJAARN O=C(Nc1ccccc1)C1(N(C(=O)c2cc3ccccc3o2)C2CC2)CCCC1 ZINC000006566367 570479175 /nfs/dbraw/zinc/47/91/75/570479175.db2.gz NZANNGPGAPLRRA-UHFFFAOYSA-N 0 0 388.467 4.989 50 0 GJAARN Cc1cccc(-n2nc3nc(NC4CC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000035925723 570479499 /nfs/dbraw/zinc/47/94/99/570479499.db2.gz MXGCDURSUUWOBV-UHFFFAOYSA-N 0 0 390.878 4.601 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)c2)no1 ZINC000064544411 570480098 /nfs/dbraw/zinc/48/00/98/570480098.db2.gz VGEMPKBGCFSVSS-SFHVURJKSA-N 0 0 396.878 4.937 50 0 GJAARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000029838700 570481276 /nfs/dbraw/zinc/48/12/76/570481276.db2.gz UBMJECDDLWXBMC-UHFFFAOYSA-N 0 0 388.301 4.652 50 0 GJAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc2ccccc2oc1=O ZINC000029903300 570482370 /nfs/dbraw/zinc/48/23/70/570482370.db2.gz KFHWTGBTHDXZFS-UHFFFAOYSA-N 0 0 397.736 4.640 50 0 GJAARN CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000072289892 570482979 /nfs/dbraw/zinc/48/29/79/570482979.db2.gz OVNAEPGOVKORSW-MRXNPFEDSA-N 0 0 382.485 4.708 50 0 GJAARN CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000013330171 570489142 /nfs/dbraw/zinc/48/91/42/570489142.db2.gz GYNPUAXIHYJDBR-OAHLLOKOSA-N 0 0 388.714 4.532 50 0 GJAARN CC[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000013330165 570489439 /nfs/dbraw/zinc/48/94/39/570489439.db2.gz UOTADVLIAUOWAA-NSHDSACASA-N 0 0 394.743 4.594 50 0 GJAARN O=C(c1ccc(COc2ccccc2)o1)N(Cc1ccco1)Cc1ccco1 ZINC000030471624 570489532 /nfs/dbraw/zinc/48/95/32/570489532.db2.gz IVRAHYKPFPFCHZ-UHFFFAOYSA-N 0 0 377.396 4.887 50 0 GJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccccn1 ZINC000005167970 570490225 /nfs/dbraw/zinc/49/02/25/570490225.db2.gz ZDDHRHWEIOQNQB-UHFFFAOYSA-N 0 0 398.509 4.718 50 0 GJAARN O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn21)c1ccc(Cl)cc1 ZINC000005168054 570490315 /nfs/dbraw/zinc/49/03/15/570490315.db2.gz XDPQQTCCHGVZNE-UHFFFAOYSA-N 0 0 398.850 4.559 50 0 GJAARN c1ccc([C@H](NCc2ccc(OCc3ccncc3)cc2)c2ccccn2)cc1 ZINC000030544692 570490968 /nfs/dbraw/zinc/49/09/68/570490968.db2.gz AJILMVKGGDUJLL-VWLOTQADSA-N 0 0 381.479 4.935 50 0 GJAARN CCCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000006740036 570491570 /nfs/dbraw/zinc/49/15/70/570491570.db2.gz UYINMBUWVXKMSP-GOSISDBHSA-N 0 0 378.472 4.725 50 0 GJAARN CSc1ccc(/C=C2\N=C(c3c(C)onc3-c3ccccc3)OC2=O)cc1 ZINC000005175317 570493415 /nfs/dbraw/zinc/49/34/15/570493415.db2.gz ZATWTWOGPRDMAR-ATVHPVEESA-N 0 0 376.437 4.716 50 0 GJAARN c1coc(-c2nnc(CSc3nc4c(n3-c3ccccc3)CCCC4)o2)c1 ZINC000005183384 570497091 /nfs/dbraw/zinc/49/70/91/570497091.db2.gz NYSMGLXNDNMJKF-UHFFFAOYSA-N 0 0 378.457 4.686 50 0 GJAARN CSc1ccccc1C(=O)Nc1ccc(I)cc1C ZINC000004808996 570498348 /nfs/dbraw/zinc/49/83/48/570498348.db2.gz BLNPPSGNMODKSR-UHFFFAOYSA-N 0 0 383.254 4.574 50 0 GJAARN CCOc1ccc(C(=O)NC[C@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1 ZINC000022672470 570501325 /nfs/dbraw/zinc/50/13/25/570501325.db2.gz PDCDKMBGSUWQSW-JOCHJYFZSA-N 0 0 389.451 4.611 50 0 GJAARN Cc1ccc2c(COC(=O)Cc3cccc(C(F)(F)F)c3)cc(=O)oc2c1C ZINC000006611852 570504317 /nfs/dbraw/zinc/50/43/17/570504317.db2.gz FLMRMUFBCMBIQM-UHFFFAOYSA-N 0 0 390.357 4.715 50 0 GJAARN Cc1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)c1 ZINC000002694189 570504911 /nfs/dbraw/zinc/50/49/11/570504911.db2.gz GVAFFTGKJUQSMC-UHFFFAOYSA-N 0 0 379.467 4.908 50 0 GJAARN C[S@@](=O)C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000072301694 570505444 /nfs/dbraw/zinc/50/54/44/570505444.db2.gz PCCVNMSMHVOKTI-PIKZIKFNSA-N 0 0 387.508 4.829 50 0 GJAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002723223 570508971 /nfs/dbraw/zinc/50/89/71/570508971.db2.gz FNQRCSWVLMXTJE-UHFFFAOYSA-N 0 0 387.892 4.655 50 0 GJAARN CCOc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 ZINC000002723664 570509240 /nfs/dbraw/zinc/50/92/40/570509240.db2.gz ZSIIVQRCQBKEMT-UHFFFAOYSA-N 0 0 387.892 4.655 50 0 GJAARN COc1ccc(OC)c2sc(NC(=O)c3cc(Cl)sc3Cl)nc21 ZINC000002723963 570509464 /nfs/dbraw/zinc/50/94/64/570509464.db2.gz MWZVFOFWBQWZOM-UHFFFAOYSA-N 0 0 389.285 4.934 50 0 GJAARN O=C(Oc1ccc2c(c1)OCO2)c1cccnc1Sc1ccc(Cl)cc1 ZINC000006626358 570509973 /nfs/dbraw/zinc/50/99/73/570509973.db2.gz HTKHDEDCCXMPFF-UHFFFAOYSA-N 0 0 385.828 4.834 50 0 GJAARN Cc1ccc(S(=O)(=O)N(Cc2cc(-c3cc(C)ccc3C)on2)C2CC2)cc1 ZINC000036005704 570510095 /nfs/dbraw/zinc/51/00/95/570510095.db2.gz MBIFMXVMSKZPRA-UHFFFAOYSA-N 0 0 396.512 4.620 50 0 GJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000002738420 570510562 /nfs/dbraw/zinc/51/05/62/570510562.db2.gz RFBIZUBHMFJOBS-CYBMUJFWSA-N 0 0 388.508 4.780 50 0 GJAARN CCOc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(C)=O ZINC000079047312 570510595 /nfs/dbraw/zinc/51/05/95/570510595.db2.gz ILLZUNOBGKKIGB-SFHVURJKSA-N 0 0 387.277 4.545 50 0 GJAARN CN(Cc1ccccc1)C(=O)c1cnn(Cc2ccccc2)c1-c1ccccc1 ZINC000036016368 570511510 /nfs/dbraw/zinc/51/15/10/570511510.db2.gz NPUSXEOVJLROBS-UHFFFAOYSA-N 0 0 381.479 4.871 50 0 GJAARN CCCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)n1 ZINC000032617114 570512175 /nfs/dbraw/zinc/51/21/75/570512175.db2.gz 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COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248127 570582027 /nfs/dbraw/zinc/58/20/27/570582027.db2.gz XITQKIGHVPJNNM-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN Cc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248885 570582659 /nfs/dbraw/zinc/58/26/59/570582659.db2.gz WMRPKFLAVDPKFJ-UHFFFAOYSA-N 0 0 387.451 4.977 50 0 GJAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccccc3)C(=O)CC(C)(C)C)C2)cc1 ZINC000006776805 570584406 /nfs/dbraw/zinc/58/44/06/570584406.db2.gz YQJNOMPQBVFVQA-OAQYLSRUSA-N 0 0 378.516 4.953 50 0 GJAARN Cc1ccccc1-c1noc(COc2ccccc2C(=O)NCc2ccccc2)n1 ZINC000005404594 570587521 /nfs/dbraw/zinc/58/75/21/570587521.db2.gz BIXWDQARXQFJTJ-UHFFFAOYSA-N 0 0 399.450 4.554 50 0 GJAARN COc1cccc([C@@H]2CCCCN2Cc2nc(CCc3ccccc3)no2)c1 ZINC000011873787 570589262 /nfs/dbraw/zinc/58/92/62/570589262.db2.gz CDBRJLGCLCRBPF-NRFANRHFSA-N 0 0 377.488 4.591 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccncc2)n(-c2ccccc2)n1 ZINC000064919479 570590563 /nfs/dbraw/zinc/59/05/63/570590563.db2.gz 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COc1ccc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1 ZINC000004600207 570633206 /nfs/dbraw/zinc/63/32/06/570633206.db2.gz BYMQAHNMXXZDDU-UHFFFAOYSA-N 0 0 395.528 4.793 50 0 GJAARN CCCCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000005555553 570633461 /nfs/dbraw/zinc/63/34/61/570633461.db2.gz DGTXPAKXYASKNR-UHFFFAOYSA-N 0 0 395.524 4.933 50 0 GJAARN COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000036353996 570635203 /nfs/dbraw/zinc/63/52/03/570635203.db2.gz CJPZMDPMWJJSEP-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN COC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C ZINC000006831971 570635578 /nfs/dbraw/zinc/63/55/78/570635578.db2.gz RICAVHODDLDMJT-ZDUSSCGKSA-N 0 0 387.892 4.550 50 0 GJAARN COc1cccc(-n2cnnc2SCCOc2cc(Cl)ccc2Cl)c1 ZINC000006832166 570636197 /nfs/dbraw/zinc/63/61/97/570636197.db2.gz COYZZXXIJLXEDV-UHFFFAOYSA-N 0 0 396.299 4.754 50 0 GJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CCCC3)cc2)cc1 ZINC000006837146 570639643 /nfs/dbraw/zinc/63/96/43/570639643.db2.gz 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O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc2ccccc2c1 ZINC000001084805 570751678 /nfs/dbraw/zinc/75/16/78/570751678.db2.gz KJMMPIJVGYKAQO-PDGQHHTCSA-N 0 0 378.225 4.947 50 0 GJAARN O=C(c1ccc(Cn2ccnc2)cc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000206876448 570754212 /nfs/dbraw/zinc/75/42/12/570754212.db2.gz UZDZWXBFHDYGQC-NRFANRHFSA-N 0 0 393.918 4.995 50 0 GJAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1F ZINC000064471775 570754693 /nfs/dbraw/zinc/75/46/93/570754693.db2.gz WIHUORUDGGSJLD-UHFFFAOYSA-N 0 0 381.476 4.615 50 0 GJAARN C[S@@](=O)(=NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000013466213 570755270 /nfs/dbraw/zinc/75/52/70/570755270.db2.gz WUJWPUOOXMBRIL-DEOSSOPVSA-N 0 0 377.771 4.536 50 0 GJAARN O=C(Nc1ccc(F)cc1)[C@@H](OC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000007032047 570756524 /nfs/dbraw/zinc/75/65/24/570756524.db2.gz IRGFANDNNLHHRE-IBGZPJMESA-N 0 0 385.341 4.641 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)c(C)c1 ZINC000036613839 570757542 /nfs/dbraw/zinc/75/75/42/570757542.db2.gz WBCNLSSRPJFWQT-UHFFFAOYSA-N 0 0 391.402 4.907 50 0 GJAARN CCN1c2ccc(NC(=O)c3sccc3C)cc2Sc2ncccc2C1=O ZINC000065258473 570760390 /nfs/dbraw/zinc/76/03/90/570760390.db2.gz ZSAFFYLEQILPCC-UHFFFAOYSA-N 0 0 395.509 4.835 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=NC(C)(C)C ZINC000065260137 570762260 /nfs/dbraw/zinc/76/22/60/570762260.db2.gz UJMWXCLSYHKAHI-DEOSSOPVSA-N 0 0 390.531 4.514 50 0 GJAARN COc1ccc2cc(NC(=O)C[C@H](c3ccsc3)n3cccc3)cnc2c1 ZINC000524732313 570767206 /nfs/dbraw/zinc/76/72/06/570767206.db2.gz KBCMTQBTVVGGJO-HXUWFJFHSA-N 0 0 377.469 4.725 50 0 GJAARN Cc1ccc(-c2nc(N(C)Cc3ccncc3C)ncc2-c2cccnc2)cc1 ZINC000065419649 570767504 /nfs/dbraw/zinc/76/75/04/570767504.db2.gz UIWPAJLAMNDYIB-UHFFFAOYSA-N 0 0 381.483 4.854 50 0 GJAARN CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032722387 570768467 /nfs/dbraw/zinc/76/84/67/570768467.db2.gz JYSOCZIVZYNRTK-SOKVYYICSA-N 0 0 377.509 4.972 50 0 GJAARN O=C(Nc1ccccc1F)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O ZINC000036635957 570775322 /nfs/dbraw/zinc/77/53/22/570775322.db2.gz ORNJFCFFVIWUIY-FQEVSTJZSA-N 0 0 379.362 4.671 50 0 GJAARN COc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O ZINC000036635954 570775414 /nfs/dbraw/zinc/77/54/14/570775414.db2.gz AUEHXPLGVMEBOR-OAQYLSRUSA-N 0 0 391.398 4.541 50 0 GJAARN COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(OC)c1OC ZINC000013713676 570778541 /nfs/dbraw/zinc/77/85/41/570778541.db2.gz KXCNIFMAXYQPCY-JOCHJYFZSA-N 0 0 387.439 4.702 50 0 GJAARN COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000007063573 570782271 /nfs/dbraw/zinc/78/22/71/570782271.db2.gz QUFJWOQQZFGTTQ-SFHVURJKSA-N 0 0 375.468 4.927 50 0 GJAARN Cc1ccc(CNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000007063870 570782344 /nfs/dbraw/zinc/78/23/44/570782344.db2.gz SZHWOZWBMFTFRH-UHFFFAOYSA-N 0 0 389.282 4.854 50 0 GJAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1 ZINC000013750265 570785032 /nfs/dbraw/zinc/78/50/32/570785032.db2.gz IBMQNNCMQLUJLX-UHFFFAOYSA-N 0 0 386.451 4.893 50 0 GJAARN CN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)[C@H]1CCCc2ccccc21 ZINC000032744459 570787533 /nfs/dbraw/zinc/78/75/33/570787533.db2.gz ZPVICSAELWDSGR-IBGZPJMESA-N 0 0 382.891 4.616 50 0 GJAARN C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000032738420 570789873 /nfs/dbraw/zinc/78/98/73/570789873.db2.gz FZBDMVJHEIHDDI-MRXNPFEDSA-N 0 0 394.906 4.610 50 0 GJAARN COc1ccc([C@@H](O)[C@@H](Nc2ccc(C)cc2)c2nc3ccccc3n2C)cc1 ZINC000001185714 570792101 /nfs/dbraw/zinc/79/21/01/570792101.db2.gz KZLKEGZICQIGRC-DHIUTWEWSA-N 0 0 387.483 4.777 50 0 GJAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCS[C@H](c2cccs2)CC1 ZINC000219465338 570792687 /nfs/dbraw/zinc/79/26/87/570792687.db2.gz JJZZFVVAMQYJDK-INIZCTEOSA-N 0 0 375.544 4.520 50 0 GJAARN CN1c2ccccc2Oc2ccc(NC(=O)NCc3ccc(F)cc3)cc2C1=O ZINC000036705399 570792980 /nfs/dbraw/zinc/79/29/80/570792980.db2.gz QCIXVBLHCCMESO-UHFFFAOYSA-N 0 0 391.402 4.530 50 0 GJAARN COc1ccc2oc(-c3csc(NC(=O)Cc4ccc(F)cc4)n3)cc2c1 ZINC000010883748 570793059 /nfs/dbraw/zinc/79/30/59/570793059.db2.gz GLUYYNOOUCCIBY-UHFFFAOYSA-N 0 0 382.416 4.885 50 0 GJAARN CC(C)c1ccc(-c2nc(C(=O)NCCCO)cc3c4ccccc4[nH]c32)cc1 ZINC000005825716 570795177 /nfs/dbraw/zinc/79/51/77/570795177.db2.gz XMVLJABXNKRUMB-UHFFFAOYSA-N 0 0 387.483 4.619 50 0 biogenic GJAARN CC[C@H](C(=O)Nc1ccc(-c2cn3nc(OC)ccc3n2)cc1)c1ccccc1 ZINC000011693486 570797273 /nfs/dbraw/zinc/79/72/73/570797273.db2.gz BNXFENYBXDROJI-IBGZPJMESA-N 0 0 386.455 4.537 50 0 GJAARN Cc1cc(C2=NNC(=Nc3ccc(C)cc3)SC2)c(C)n1C[C@@H]1CCCO1 ZINC000005859348 570797588 /nfs/dbraw/zinc/79/75/88/570797588.db2.gz JJFYPOYPWYUNFN-SFHVURJKSA-N 0 0 382.533 4.511 50 0 GJAARN COc1ccc(-c2nnc(SCc3cc(=O)oc4cc(C)c(C)cc34)o2)cc1 ZINC000004475253 570798642 /nfs/dbraw/zinc/79/86/42/570798642.db2.gz YIHZCXWOZVGQOP-UHFFFAOYSA-N 0 0 394.452 4.761 50 0 GJAARN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1OC ZINC000013896980 570799903 /nfs/dbraw/zinc/79/99/03/570799903.db2.gz BLQMSLDAZVGCOG-UHFFFAOYSA-N 0 0 398.503 4.965 50 0 GJAARN CC[C@H](C)n1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000005876029 570800084 /nfs/dbraw/zinc/80/00/84/570800084.db2.gz IDVXNGWYTGYUCU-SLDJAQPHSA-N 0 0 391.446 4.844 50 0 GJAARN COc1ccc(/C=C/C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000005879929 570800641 /nfs/dbraw/zinc/80/06/41/570800641.db2.gz QWKNAURGVWEKJL-JXMROGBWSA-N 0 0 379.884 4.551 50 0 GJAARN Cc1occc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000022191438 570801150 /nfs/dbraw/zinc/80/11/50/570801150.db2.gz PLCNRMXFOXOSAC-UHFFFAOYSA-N 0 0 377.263 4.650 50 0 GJAARN Cc1cccc(-n2ncc3c2ncn(Cc2ccc(Cl)c(Cl)c2)c3=O)c1C ZINC000004479237 570801584 /nfs/dbraw/zinc/80/15/84/570801584.db2.gz NVYXOLYRNPMTTG-UHFFFAOYSA-N 0 0 399.281 4.554 50 0 GJAARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1nc2ccccc2s1 ZINC000004479418 570801666 /nfs/dbraw/zinc/80/16/66/570801666.db2.gz IGSIFCJMPNHAGP-UHFFFAOYSA-N 0 0 391.239 4.905 50 0 GJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000065331248 570801768 /nfs/dbraw/zinc/80/17/68/570801768.db2.gz IWSQHIFOKJRNGV-KRWDZBQOSA-N 0 0 381.863 4.789 50 0 GJAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccnn1C1CCCCC1 ZINC000032765683 570802944 /nfs/dbraw/zinc/80/29/44/570802944.db2.gz QNUAKEZMRGNBBT-UHFFFAOYSA-N 0 0 392.459 4.593 50 0 GJAARN CSc1ccc(C(=O)CCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 ZINC000005918747 570803452 /nfs/dbraw/zinc/80/34/52/570803452.db2.gz BHCNZEMBPGYOOD-UHFFFAOYSA-N 0 0 381.453 4.770 50 0 GJAARN CCOc1ccccc1NC(=O)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073166 570804495 /nfs/dbraw/zinc/80/44/95/570804495.db2.gz QDFAADXNRRHZNM-UHFFFAOYSA-N 0 0 375.472 4.876 50 0 GJAARN COc1ccc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1 ZINC000005934375 570804880 /nfs/dbraw/zinc/80/48/80/570804880.db2.gz IVTWGNKMFHXRAL-UHFFFAOYSA-N 0 0 378.497 4.788 50 0 GJAARN Cc1c(C(=O)NCc2ccc(C)cc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084360 570806698 /nfs/dbraw/zinc/80/66/98/570806698.db2.gz SADNSOAICUZCGZ-UHFFFAOYSA-N 0 0 394.544 4.537 50 0 GJAARN CC(C)c1ccccc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 ZINC000005938171 570806991 /nfs/dbraw/zinc/80/69/91/570806991.db2.gz FIGQVJDIPGCDGU-IBGZPJMESA-N 0 0 378.501 4.916 50 0 GJAARN CCc1ccc(-c2nc(S[C@H](C(=O)N(CC)CC)c3ccccc3)n[nH]2)cc1 ZINC000007150653 570807274 /nfs/dbraw/zinc/80/72/74/570807274.db2.gz NRTFXZNYFAHLSC-IBGZPJMESA-N 0 0 394.544 4.736 50 0 GJAARN Cn1c2ccccc2nc1SCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000007154103 570807758 /nfs/dbraw/zinc/80/77/58/570807758.db2.gz WZFMZTLENILRSA-FQEVSTJZSA-N 0 0 393.537 4.633 50 0 GJAARN CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 ZINC000013946195 570807959 /nfs/dbraw/zinc/80/79/59/570807959.db2.gz BGILABRHDTVSFD-UHFFFAOYSA-N 0 0 386.455 4.552 50 0 GJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000013961058 570808756 /nfs/dbraw/zinc/80/87/56/570808756.db2.gz CWYCLSCOGMRKRA-CQSZACIVSA-N 0 0 387.625 4.918 50 0 GJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@@H]1c1cccc(Cl)c1 ZINC000034927659 570810085 /nfs/dbraw/zinc/81/00/85/570810085.db2.gz GXMPIPJYNYQVAX-SFTDATJTSA-N 0 0 396.918 4.699 50 0 GJAARN Fc1ccccc1Nc1nnc(SCc2nccn2Cc2ccccc2)s1 ZINC000032778934 570812125 /nfs/dbraw/zinc/81/21/25/570812125.db2.gz SUZPWRWKWDTVLR-UHFFFAOYSA-N 0 0 397.504 4.958 50 0 GJAARN CC(=O)Nc1ccc2nc(NC(=O)CCSc3ccc(C)cc3)sc2c1 ZINC000004496510 570812438 /nfs/dbraw/zinc/81/24/38/570812438.db2.gz YSIUERNWGACHRW-UHFFFAOYSA-N 0 0 385.514 4.684 50 0 GJAARN CCOc1ccc2[nH]c(SCc3cc(Cl)cc4c3OCOC4)nc2c1 ZINC000005691291 570812598 /nfs/dbraw/zinc/81/25/98/570812598.db2.gz CWURSULFHYPXJI-UHFFFAOYSA-N 0 0 376.865 4.774 50 0 GJAARN C[C@@H]1CCc2sc3nc(NCc4ccccc4)n4c(=S)[nH]nc4c3c2C1 ZINC000005998365 570813076 /nfs/dbraw/zinc/81/30/76/570813076.db2.gz GNLUOWXNFVZWKB-LLVKDONJSA-N 0 0 381.530 4.738 50 0 GJAARN Clc1ccc(C2=Nc3nnnn3[C@@H](c3c(Cl)cccc3Cl)C2)cc1 ZINC000101166976 570814788 /nfs/dbraw/zinc/81/47/88/570814788.db2.gz RJSVMQXFRCPNSZ-CQSZACIVSA-N 0 0 378.650 4.689 50 0 GJAARN CCCOc1c2cc(NC(=O)c3cccc(OC)c3)ccc2sc1C(=O)OC ZINC000033123444 570815311 /nfs/dbraw/zinc/81/53/11/570815311.db2.gz WZDOOLHQONKRRH-UHFFFAOYSA-N 0 0 399.468 4.738 50 0 GJAARN COc1ccc(NCc2nnc(-c3cccc(Br)c3)o2)c(Cl)c1 ZINC000133628359 570817048 /nfs/dbraw/zinc/81/70/48/570817048.db2.gz XDXMHSPAJYOOFU-UHFFFAOYSA-N 0 0 394.656 4.773 50 0 GJAARN Cc1ccc(C)c(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1 ZINC000033127828 570817328 /nfs/dbraw/zinc/81/73/28/570817328.db2.gz IBDVOVDXMFLCSL-QHCPKHFHSA-N 0 0 399.494 4.756 50 0 GJAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)Nc1ccccc1-c1ccccc1 ZINC000014085256 570819815 /nfs/dbraw/zinc/81/98/15/570819815.db2.gz ZLIKCJGCBCTXBC-UHFFFAOYSA-N 0 0 392.528 4.935 50 0 GJAARN O=C(CCn1ccc2ccccc21)NCc1cccnc1Oc1cccc(F)c1 ZINC000058819845 570821450 /nfs/dbraw/zinc/82/14/50/570821450.db2.gz PUNSRWICDLNICO-UHFFFAOYSA-N 0 0 389.430 4.674 50 0 GJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(COc2ccc(F)cc2)o1 ZINC000012515983 570825660 /nfs/dbraw/zinc/82/56/60/570825660.db2.gz SHXZNFWFOZFXRE-UHFFFAOYSA-N 0 0 395.415 4.769 50 0 GJAARN Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3sc(-c4ccccc4)cc32)no1 ZINC000007297215 570826657 /nfs/dbraw/zinc/82/66/57/570826657.db2.gz SCIVWXZSQVYOOW-GFCCVEGCSA-N 0 0 396.497 4.774 50 0 GJAARN C[C@H]1CCCCN1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014193811 570828348 /nfs/dbraw/zinc/82/83/48/570828348.db2.gz HZXRHAHJKAVFBZ-NSHDSACASA-N 0 0 384.332 4.930 50 0 GJAARN CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1N1CCCC1 ZINC000012521498 570828396 /nfs/dbraw/zinc/82/83/96/570828396.db2.gz WGHHZFLOFMXCCD-UHFFFAOYSA-N 0 0 382.895 4.622 50 0 GJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000014196862 570828693 /nfs/dbraw/zinc/82/86/93/570828693.db2.gz DLDGWYIUKKUCKV-UHFFFAOYSA-N 0 0 399.281 4.901 50 0 GJAARN CN(CN1C(=O)CC2(CCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197201 570828772 /nfs/dbraw/zinc/82/87/72/570828772.db2.gz JHPWJUPTUSZIIR-JOCHJYFZSA-N 0 0 394.490 4.514 50 0 GJAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Nc2ncccn2)c1 ZINC000012523567 570829842 /nfs/dbraw/zinc/82/98/42/570829842.db2.gz UPEKXNFHYDUDTM-UHFFFAOYSA-N 0 0 387.270 4.799 50 0 GJAARN O=C(/C=C\c1ccccc1)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl ZINC000033154791 570829856 /nfs/dbraw/zinc/82/98/56/570829856.db2.gz MGDUDQQGPMMFBS-BLIJAFNYSA-N 0 0 387.669 4.764 50 0 GJAARN CN(CCOc1ccccc1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000014227140 570832628 /nfs/dbraw/zinc/83/26/28/570832628.db2.gz QGSKJAPZMZIVDJ-UHFFFAOYSA-N 0 0 399.450 4.555 50 0 GJAARN Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3ccc(F)c(F)c3)c2c1C ZINC000014234316 570834509 /nfs/dbraw/zinc/83/45/09/570834509.db2.gz NVZGKYKQXDKSRP-JTQLQIEISA-N 0 0 393.484 4.556 50 0 GJAARN COc1ccc(Nc2ccccc2NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000012533520 570834965 /nfs/dbraw/zinc/83/49/65/570834965.db2.gz YXZVXDGEZABJPH-UHFFFAOYSA-N 0 0 378.428 4.708 50 0 GJAARN C[C@H](c1ccccc1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000012535706 570835182 /nfs/dbraw/zinc/83/51/82/570835182.db2.gz QLSGQTJAMXUTOU-MRXNPFEDSA-N 0 0 375.497 4.825 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c1 ZINC000033172638 570837156 /nfs/dbraw/zinc/83/71/56/570837156.db2.gz KBADLTJTQUQKEB-UHFFFAOYSA-N 0 0 380.448 4.598 50 0 GJAARN Cc1ccc2nc(COC(=O)c3cc(-c4ccco4)nc4ccccc43)cn2c1 ZINC000032823666 570837972 /nfs/dbraw/zinc/83/79/72/570837972.db2.gz LLNWBGDWMCKKLS-UHFFFAOYSA-N 0 0 383.407 4.808 50 0 GJAARN Cc1ccc2nc(COC(=O)c3c4ccccc4nc4c3CCCCC4)cn2c1 ZINC000032823662 570838131 /nfs/dbraw/zinc/83/81/31/570838131.db2.gz AQERLTMKAZJRGZ-UHFFFAOYSA-N 0 0 385.467 4.817 50 0 GJAARN Cc1cccc(C)c1-n1nnnc1CSCc1ccccc1C(F)(F)F ZINC000060520977 570838318 /nfs/dbraw/zinc/83/83/18/570838318.db2.gz FXUMTMLNSZIQHC-UHFFFAOYSA-N 0 0 378.423 4.731 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccccc1)CC2 ZINC000007408676 570838413 /nfs/dbraw/zinc/83/84/13/570838413.db2.gz PTULJHMQOWPKTD-OAQYLSRUSA-N 0 0 379.481 4.553 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc4ccccc4s3)c2C)no1 ZINC000007412938 570838446 /nfs/dbraw/zinc/83/84/46/570838446.db2.gz MPZXLSPGAPEGBK-UHFFFAOYSA-N 0 0 394.452 4.645 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccccc1)CC2 ZINC000007408677 570838486 /nfs/dbraw/zinc/83/84/86/570838486.db2.gz PTULJHMQOWPKTD-NRFANRHFSA-N 0 0 379.481 4.553 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)cc1C)C(=O)[C@@H]1CCCC1=N2 ZINC000101945624 570838669 /nfs/dbraw/zinc/83/86/69/570838669.db2.gz DTAFTYJQBOZTOD-QGZVFWFLSA-N 0 0 393.462 4.609 50 0 GJAARN O=C(Cc1ccsc1)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000003233202 570839781 /nfs/dbraw/zinc/83/97/81/570839781.db2.gz JKRAZUUNSDYCSP-UHFFFAOYSA-N 0 0 381.478 4.663 50 0 GJAARN CCc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000102047762 570840016 /nfs/dbraw/zinc/84/00/16/570840016.db2.gz NIXRZWOALYYKFV-SFHVURJKSA-N 0 0 381.277 4.659 50 0 GJAARN Cc1csc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 ZINC000003247737 570841084 /nfs/dbraw/zinc/84/10/84/570841084.db2.gz TXEVQQPWTGVTDE-QGZVFWFLSA-N 0 0 399.903 4.605 50 0 GJAARN CCc1ccc(-c2nc(CSc3n[nH]c(-c4cccnc4)n3)cs2)cc1 ZINC000060531101 570841459 /nfs/dbraw/zinc/84/14/59/570841459.db2.gz ZSZAQLINZRTKAM-UHFFFAOYSA-N 0 0 379.514 4.845 50 0 GJAARN COc1ccc2c(C)cc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)nc2c1 ZINC000012541963 570842525 /nfs/dbraw/zinc/84/25/25/570842525.db2.gz HPNLAKVKMJVSKE-UHFFFAOYSA-N 0 0 382.485 4.674 50 0 GJAARN O=C(Nc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1Cl)c1cccs1 ZINC000012542301 570842962 /nfs/dbraw/zinc/84/29/62/570842962.db2.gz SNCFHZBTKWTZJN-UHFFFAOYSA-N 0 0 396.859 4.782 50 0 GJAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c1 ZINC000102300632 570844381 /nfs/dbraw/zinc/84/43/81/570844381.db2.gz VKNIYFPNYZHVRD-UHFFFAOYSA-N 0 0 389.480 4.553 50 0 GJAARN COc1cc(CSc2nnc(-c3sc(C)nc3C)o2)ccc1OC(F)F ZINC000037163408 570844476 /nfs/dbraw/zinc/84/44/76/570844476.db2.gz HCMGXYKYELEAEF-UHFFFAOYSA-N 0 0 399.444 4.712 50 0 GJAARN Fc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000102351513 570845501 /nfs/dbraw/zinc/84/55/01/570845501.db2.gz VLVXOOUELOIUBL-OAHLLOKOSA-N 0 0 396.294 4.770 50 0 GJAARN CCn1c2ccccc2nc1SCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012544610 570845507 /nfs/dbraw/zinc/84/55/07/570845507.db2.gz 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/nfs/dbraw/zinc/86/02/09/570860209.db2.gz ZVVJCFNKGCLTGO-UHFFFAOYSA-N 0 0 387.508 4.898 50 0 GJAARN COc1cc(OC)cc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 ZINC000102715972 570860361 /nfs/dbraw/zinc/86/03/61/570860361.db2.gz HIZQXVWWKSITRY-UHFFFAOYSA-N 0 0 393.468 4.594 50 0 GJAARN C[C@@H](CNC(=O)CCCOc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000032863749 570861614 /nfs/dbraw/zinc/86/16/14/570861614.db2.gz AHXJAVBBDQZDJX-HNNXBMFYSA-N 0 0 387.430 4.510 50 0 GJAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(C)cc2)cc1 ZINC000044086499 570863343 /nfs/dbraw/zinc/86/33/43/570863343.db2.gz ZBKXFGIMFSJPGO-UHFFFAOYSA-N 0 0 391.540 4.871 50 0 GJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033255855 570863560 /nfs/dbraw/zinc/86/35/60/570863560.db2.gz HDNKFZONJFQRNC-UHFFFAOYSA-N 0 0 378.497 4.716 50 0 GJAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccc(F)c(Br)c3)C2)cc1 ZINC000102798502 570864361 /nfs/dbraw/zinc/86/43/61/570864361.db2.gz OCPOYSUJMXAOMG-KRWDZBQOSA-N 0 0 385.240 4.544 50 0 GJAARN Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c(C)c1 ZINC000012561550 570865730 /nfs/dbraw/zinc/86/57/30/570865730.db2.gz URZACEZGKOWHAF-UHFFFAOYSA-N 0 0 379.548 4.673 50 0 GJAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCCOc2ccccc21 ZINC000170608667 570866428 /nfs/dbraw/zinc/86/64/28/570866428.db2.gz NLZCKYOAYUCHRA-FQEVSTJZSA-N 0 0 392.455 4.514 50 0 GJAARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000102839366 570866738 /nfs/dbraw/zinc/86/67/38/570866738.db2.gz OHVVHIFIVBDWOB-IFXJQAMLSA-N 0 0 376.391 4.838 50 0 GJAARN O=C(NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccncc1 ZINC000014959939 570866863 /nfs/dbraw/zinc/86/68/63/570866863.db2.gz YMEKWKHDKMLMJB-MRXNPFEDSA-N 0 0 398.384 4.501 50 0 GJAARN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003881875 570869173 /nfs/dbraw/zinc/86/91/73/570869173.db2.gz PSGAAPLEWMOORI-DODYZMPZSA-N 0 0 386.532 4.655 50 0 GJAARN COc1cccc2cc([C@@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc21 ZINC000170612618 570870047 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O=C(COC(=O)Cc1cccc2ccccc21)Nc1cccc(Cl)c1Cl ZINC000005714859 570873977 /nfs/dbraw/zinc/87/39/77/570873977.db2.gz XGQTXJBJHOXDDV-UHFFFAOYSA-N 0 0 388.250 4.871 50 0 GJAARN Nc1cc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)ccn1 ZINC000170617569 570874944 /nfs/dbraw/zinc/87/49/44/570874944.db2.gz QKGZWASMBNSYOK-UHFFFAOYSA-N 0 0 393.903 4.857 50 0 GJAARN CCC(CC)N(C(=O)CCc1nnc(C(C)C)o1)[C@H]1CCCc2cccnc21 ZINC000170617610 570875002 /nfs/dbraw/zinc/87/50/02/570875002.db2.gz FSMJVTOSTREPSR-SFHVURJKSA-N 0 0 384.524 4.615 50 0 GJAARN Cc1cc(N2CCSCC2)ccc1N[C@@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000051186812 570876026 /nfs/dbraw/zinc/87/60/26/570876026.db2.gz BPULWOBWDGQDIJ-INIZCTEOSA-N 0 0 379.529 4.713 50 0 GJAARN CC(=O)c1c[nH]c(C(=O)O[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000170617296 570876079 /nfs/dbraw/zinc/87/60/79/570876079.db2.gz CVDJOKXOAQNYIT-CYBMUJFWSA-N 0 0 379.256 4.697 50 0 GJAARN CCCCCCc1cc2cc3c(=O)n(-c4ccc(OC)cc4)nc-3oc2cc1O ZINC000033261854 570876397 /nfs/dbraw/zinc/87/63/97/570876397.db2.gz RTWNSZRFKHWCOG-UHFFFAOYSA-N 0 0 392.455 4.921 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000012579026 570876685 /nfs/dbraw/zinc/87/66/85/570876685.db2.gz AYTZQXAKANHZEL-HXUWFJFHSA-N 0 0 377.488 4.737 50 0 GJAARN O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(F)cc1 ZINC000007544979 570877713 /nfs/dbraw/zinc/87/77/13/570877713.db2.gz CBVYSBCDJOBVHT-LJQANCHMSA-N 0 0 399.469 4.939 50 0 GJAARN Cc1cc(CN(C)C(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)on1 ZINC000015078597 570878909 /nfs/dbraw/zinc/87/89/09/570878909.db2.gz OXWVQMSUROTRLW-FQEVSTJZSA-N 0 0 384.863 4.523 50 0 GJAARN Cc1cc(C(=O)NCc2cn3cccc(C)c3n2)c(C)n1[C@H](C)c1ccccc1 ZINC000170624947 570880916 /nfs/dbraw/zinc/88/09/16/570880916.db2.gz KPXGIHOWKNAQFY-GOSISDBHSA-N 0 0 386.499 4.600 50 0 GJAARN COc1cccc(-c2nc(CSc3n[nH]c(-c4cccs4)n3)cs2)c1 ZINC000012590383 570883799 /nfs/dbraw/zinc/88/37/99/570883799.db2.gz ZOEGXSBVUHNUEG-UHFFFAOYSA-N 0 0 386.527 4.958 50 0 GJAARN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3cc(C)ccc3C)cc2)cs1 ZINC000012593901 570884165 /nfs/dbraw/zinc/88/41/65/570884165.db2.gz KSCCSTNQHZSDIV-HNNXBMFYSA-N 0 0 386.542 4.775 50 0 GJAARN COc1nc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)cc2ccccc21 ZINC000170626953 570884323 /nfs/dbraw/zinc/88/43/23/570884323.db2.gz IXJGCHDWXIFUBG-NSHDSACASA-N 0 0 381.819 4.691 50 0 GJAARN O=C1CCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000007564644 570885134 /nfs/dbraw/zinc/88/51/34/570885134.db2.gz IGIYMHBJTOJOLI-KRWDZBQOSA-N 0 0 396.537 4.540 50 0 GJAARN O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2cccs2)nc2ccccc21 ZINC000012603158 570887219 /nfs/dbraw/zinc/88/72/19/570887219.db2.gz KYARTXKJZJXLAX-UHFFFAOYSA-N 0 0 384.464 4.770 50 0 GJAARN Cc1nnc(CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2F)o1 ZINC000012604126 570887795 /nfs/dbraw/zinc/88/77/95/570887795.db2.gz QJSFWSQPBUPLKY-UHFFFAOYSA-N 0 0 380.448 4.971 50 0 GJAARN COc1ccccc1-c1noc(CN(C)Cc2cccc(Cl)c2Cl)n1 ZINC000015299646 570887967 /nfs/dbraw/zinc/88/79/67/570887967.db2.gz MASMUTQPZVNWSA-UHFFFAOYSA-N 0 0 378.259 4.684 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)CCc3nc4ccccc4s3)o2)cs1 ZINC000012619209 570891345 /nfs/dbraw/zinc/89/13/45/570891345.db2.gz UGDIEIZVORLCJG-UHFFFAOYSA-N 0 0 383.498 4.570 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc3ncsc3c2)cc(OCC)c1OCC ZINC000010217304 570892305 /nfs/dbraw/zinc/89/23/05/570892305.db2.gz ADWKMJBRYCIQSB-UHFFFAOYSA-N 0 0 386.473 4.745 50 0 GJAARN Cc1nc2ccccc2n1CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000032900454 570894574 /nfs/dbraw/zinc/89/45/74/570894574.db2.gz FXOAXJWWIFCJEN-AWEZNQCLSA-N 0 0 387.936 4.685 50 0 GJAARN Cc1cccc(C)c1NC(=O)CCCS[C@@H](C)C(=O)NCCc1ccccc1 ZINC000015491908 570895323 /nfs/dbraw/zinc/89/53/23/570895323.db2.gz ITFSCZXWRWRSTK-IBGZPJMESA-N 0 0 398.572 4.503 50 0 GJAARN O=C(NCCc1ccccc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000032901970 570899572 /nfs/dbraw/zinc/89/95/72/570899572.db2.gz CTOPEBQBIGLEBD-UHFFFAOYSA-N 0 0 381.479 4.571 50 0 GJAARN Cc1c2nc(N(Cc3ccccc3)C(=O)c3ccn(C)n3)sc2ccc1Cl ZINC000013667712 570899614 /nfs/dbraw/zinc/89/96/14/570899614.db2.gz JIHJKVGEPLYWTI-UHFFFAOYSA-N 0 0 396.903 4.839 50 0 GJAARN CC(C)c1ccc(C2=Nc3nnnn3[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000101071697 570899687 /nfs/dbraw/zinc/89/96/87/570899687.db2.gz GTHLMNXAVRVDER-GOSISDBHSA-N 0 0 396.292 4.615 50 0 GJAARN CCOc1ccccc1N1CCN(C(=O)c2cc3cn(C(C)C)cc3s2)CC1 ZINC000097151870 570900182 /nfs/dbraw/zinc/90/01/82/570900182.db2.gz IQQCONIJMXMTBL-UHFFFAOYSA-N 0 0 397.544 4.645 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000014211213 570903492 /nfs/dbraw/zinc/90/34/92/570903492.db2.gz DGTPTLIRXZIAHE-UHFFFAOYSA-N 0 0 383.835 4.525 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)c12 ZINC000014213619 570904172 /nfs/dbraw/zinc/90/41/72/570904172.db2.gz QASGRMWRANGFAU-UHFFFAOYSA-N 0 0 384.848 4.869 50 0 GJAARN Cc1cccc2sc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c(Cl)c21 ZINC000032906366 570904659 /nfs/dbraw/zinc/90/46/59/570904659.db2.gz PEJFDYZLJIGUNX-CYBMUJFWSA-N 0 0 396.903 4.935 50 0 GJAARN Cc1ccccc1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000032906619 570905151 /nfs/dbraw/zinc/90/51/51/570905151.db2.gz AZRVRONJJUKTRS-UHFFFAOYSA-N 0 0 398.506 4.714 50 0 GJAARN Cc1nc2ccccc2n1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000005728736 570906097 /nfs/dbraw/zinc/90/60/97/570906097.db2.gz BXDSMTVDWFKZLX-UHFFFAOYSA-N 0 0 375.664 4.542 50 0 GJAARN CCc1ccccc1NC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC000014609829 570906466 /nfs/dbraw/zinc/90/64/66/570906466.db2.gz VRQYIOPNCPKDNH-UHFFFAOYSA-N 0 0 398.466 4.758 50 0 GJAARN C[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000014609413 570906484 /nfs/dbraw/zinc/90/64/84/570906484.db2.gz ITDBBOIXBVMVFG-HNNXBMFYSA-N 0 0 380.879 4.602 50 0 GJAARN CN(C(=O)COc1ccc(Oc2ccccn2)cc1)[C@@H]1CCCc2ccccc21 ZINC000032907189 570907130 /nfs/dbraw/zinc/90/71/30/570907130.db2.gz RGAHWCJZGVXLDU-JOCHJYFZSA-N 0 0 388.467 4.789 50 0 GJAARN O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000012625982 570908255 /nfs/dbraw/zinc/90/82/55/570908255.db2.gz RNZRKZOECKSSKH-UHFFFAOYSA-N 0 0 383.451 4.654 50 0 GJAARN COc1cccc(CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)c1 ZINC000015941039 570909779 /nfs/dbraw/zinc/90/97/79/570909779.db2.gz FRSNDPXZNOWUIX-UHFFFAOYSA-N 0 0 384.888 4.825 50 0 GJAARN CC(C)(C)c1ccc(OCCCSCc2cc(=O)n3ccsc3n2)cc1 ZINC000032909512 570911152 /nfs/dbraw/zinc/91/11/52/570911152.db2.gz YLUJDHFQXRQSAA-UHFFFAOYSA-N 0 0 388.558 4.756 50 0 GJAARN CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)c1ccc(F)cc1 ZINC000096981903 570911678 /nfs/dbraw/zinc/91/16/78/570911678.db2.gz NHKYWNYDOUJERY-UHFFFAOYSA-N 0 0 383.492 4.798 50 0 GJAARN CCSc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000016838454 570912425 /nfs/dbraw/zinc/91/24/25/570912425.db2.gz FEXVPKMBYJYHBP-UHFFFAOYSA-N 0 0 382.510 4.878 50 0 GJAARN Cc1ccc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)ccn3n2)cc1C ZINC000016840073 570912915 /nfs/dbraw/zinc/91/29/15/570912915.db2.gz CGNVVRDZDWTVRE-UHFFFAOYSA-N 0 0 397.400 4.847 50 0 GJAARN CCOc1ccccc1OCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000032910065 570912875 /nfs/dbraw/zinc/91/28/75/570912875.db2.gz MGPVKKPJALLBTR-UHFFFAOYSA-N 0 0 389.495 4.803 50 0 GJAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cccc(-c3ccc4[nH]nc(N)c4c3)c1)C2 ZINC000534640790 570913179 /nfs/dbraw/zinc/91/31/79/570913179.db2.gz YKDTWELZEYLXHO-HOYKHHGWSA-N 0 0 388.515 4.683 50 0 GJAARN COc1ccc(OC)c(Nc2nc(CC(=O)Nc3cccc(C)c3C)cs2)c1 ZINC000016850279 570914937 /nfs/dbraw/zinc/91/49/37/570914937.db2.gz HUABWIYKDUNWQZ-UHFFFAOYSA-N 0 0 397.500 4.702 50 0 GJAARN CSc1ccc(Cl)c(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1 ZINC000032912104 570915402 /nfs/dbraw/zinc/91/54/02/570915402.db2.gz PGIDLBQMFWFOLI-UHFFFAOYSA-N 0 0 399.947 4.919 50 0 GJAARN CC(C)c1nnc(SCc2ccccn2)c2c1cnn2-c1ccc(F)cc1 ZINC000023137719 570916646 /nfs/dbraw/zinc/91/66/46/570916646.db2.gz UKJKEUNPRYIIHT-UHFFFAOYSA-N 0 0 379.464 4.765 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000023140464 570917551 /nfs/dbraw/zinc/91/75/51/570917551.db2.gz ZHSKKCHPEUADFK-LBPRGKRZSA-N 0 0 388.880 4.863 50 0 GJAARN Cc1nc2sccn2c1-c1nnc(SCc2c(F)cccc2Cl)n1C ZINC000023141472 570917914 /nfs/dbraw/zinc/91/79/14/570917914.db2.gz RSJOTSHHAKCYIX-UHFFFAOYSA-N 0 0 393.900 4.585 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CC2CCCCC2)c1 ZINC000004585474 570921528 /nfs/dbraw/zinc/92/15/28/570921528.db2.gz GKSDUGAKSWPZFB-UHFFFAOYSA-N 0 0 375.472 4.603 50 0 GJAARN COc1ccc(CN(CC[C@@]2(C(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC ZINC000004046461 570924980 /nfs/dbraw/zinc/92/49/80/570924980.db2.gz YLLVUYCHRPRTOE-HSZRJFAPSA-N 0 0 391.552 4.674 50 0 biogenic GJAARN O=C(OCc1csnn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000032915481 570926479 /nfs/dbraw/zinc/92/64/79/570926479.db2.gz VDERQMBYGLUYAT-UHFFFAOYSA-N 0 0 381.844 4.764 50 0 GJAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cl)cc1 ZINC000004078304 570930726 /nfs/dbraw/zinc/93/07/26/570930726.db2.gz YIGAJEDSJOASLF-UHFFFAOYSA-N 0 0 379.869 4.875 50 0 GJAARN O=c1c2c(nc(SCc3ccccc3)n1Cc1ccco1)sc1c2CCC1 ZINC000001058973 570930822 /nfs/dbraw/zinc/93/08/22/570930822.db2.gz SFPILRQGWCSWJO-UHFFFAOYSA-N 0 0 394.521 4.880 50 0 GJAARN Cc1cccc2c(=O)[nH]c(CN[C@H](C)c3cc(F)c(Cl)cc3Cl)nc12 ZINC000016694828 570931280 /nfs/dbraw/zinc/93/12/80/570931280.db2.gz ZNGCSCRLULEKND-SNVBAGLBSA-N 0 0 380.250 4.528 50 0 GJAARN COc1ccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)cc1 ZINC000001121216 570931842 /nfs/dbraw/zinc/93/18/42/570931842.db2.gz GJXZOLRKKLJBML-UHFFFAOYSA-N 0 0 379.799 4.942 50 0 GJAARN Cc1cccc(-n2nc3nc(NCC(C)C)nc(-c4cccs4)c3c2N)c1 ZINC000037358874 570931869 /nfs/dbraw/zinc/93/18/69/570931869.db2.gz PNUCWIOCUNJUHW-UHFFFAOYSA-N 0 0 378.505 4.503 50 0 GJAARN CC[C@H](C)[C@H](NC(=O)[C@@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 ZINC000263587787 570931983 /nfs/dbraw/zinc/93/19/83/570931983.db2.gz LETXEFIBVVVPKP-IPELMVKDSA-N 0 0 384.549 4.562 50 0 GJAARN CCCCOc1ccccc1/C=C1/N=C(c2cc(Cl)ccc2OC)OC1=O ZINC000002173385 570932716 /nfs/dbraw/zinc/93/27/16/570932716.db2.gz HXWMEAGBLDHVKC-SFQUDFHCSA-N 0 0 385.847 4.872 50 0 GJAARN CC(C)[C@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 ZINC000263588506 570933161 /nfs/dbraw/zinc/93/31/61/570933161.db2.gz UYIKSKPFNOAAKX-FPOVZHCZSA-N 0 0 392.528 4.919 50 0 GJAARN NC(=O)c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000016761511 570933189 /nfs/dbraw/zinc/93/31/89/570933189.db2.gz ULTSZWIXOWYKOH-UHFFFAOYSA-N 0 0 398.491 4.597 50 0 GJAARN CCCCC(=O)Nc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1OC ZINC000002818645 570933174 /nfs/dbraw/zinc/93/31/74/570933174.db2.gz XTBAIIWIIXMMJE-UHFFFAOYSA-N 0 0 384.476 4.863 50 0 GJAARN CS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N ZINC000004092145 570934357 /nfs/dbraw/zinc/93/43/57/570934357.db2.gz VJLXCXYDRATFPQ-UHFFFAOYSA-N 0 0 386.523 4.678 50 0 aggregator GJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2cccc(C)c2C)cc1 ZINC000046913366 570935570 /nfs/dbraw/zinc/93/55/70/570935570.db2.gz MDMUXYTUOMFVHP-UHFFFAOYSA-N 0 0 399.498 4.845 50 0 GJAARN O=C1OC=C2Nc3ccc4ccccc4c3[C@@H](c3ccc(Br)cc3)C12 ZINC000004134367 570937077 /nfs/dbraw/zinc/93/70/77/570937077.db2.gz VYIKVKUSDVMANC-GOSISDBHSA-N 0 0 392.252 4.971 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000017026276 570937750 /nfs/dbraw/zinc/93/77/50/570937750.db2.gz CXXRTPZKMJTXOZ-UHFFFAOYSA-N 0 0 388.496 4.744 50 0 GJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 ZINC000036616646 570943502 /nfs/dbraw/zinc/94/35/02/570943502.db2.gz GPLJZBKBVFPBLT-UHFFFAOYSA-N 0 0 388.496 4.598 50 0 GJAARN CCCCCCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000017223157 570943596 /nfs/dbraw/zinc/94/35/96/570943596.db2.gz DJDQVIVKUNIWPQ-HNVSCKTLSA-N 0 0 376.500 4.710 50 0 GJAARN Cc1c(NC(=O)c2ccc3ccccc3n2)cccc1-c1nnc2n1CCCCC2 ZINC000032932427 570945093 /nfs/dbraw/zinc/94/50/93/570945093.db2.gz HDCSRQPZGIQOAF-UHFFFAOYSA-N 0 0 397.482 4.780 50 0 GJAARN Cc1cc(C)c(-c2csc(NC(=O)c3cn(C)nc3C(F)(F)F)n2)cc1C ZINC000047197465 570947276 /nfs/dbraw/zinc/94/72/76/570947276.db2.gz URBPQRCQSAVOOM-UHFFFAOYSA-N 0 0 394.422 4.740 50 0 GJAARN Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccc(C)s4)csc3[nH]2)o1 ZINC000012684130 570948772 /nfs/dbraw/zinc/94/87/72/570948772.db2.gz NMVNSRBGDOTAKY-UHFFFAOYSA-N 0 0 385.514 4.555 50 0 GJAARN CCN(CC)c1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 ZINC000033326300 570949529 /nfs/dbraw/zinc/94/95/29/570949529.db2.gz PHBOPBMUPIZDDO-UHFFFAOYSA-N 0 0 395.528 4.750 50 0 GJAARN Clc1cccc(Cl)c1CN(Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000018122984 570950728 /nfs/dbraw/zinc/95/07/28/570950728.db2.gz SDEUANFQWZQARP-UHFFFAOYSA-N 0 0 384.270 4.867 50 0 GJAARN Cc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)no1 ZINC000033276411 570951543 /nfs/dbraw/zinc/95/15/43/570951543.db2.gz FHTHSQDWQRZQGF-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN Clc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 ZINC000263615112 570952272 /nfs/dbraw/zinc/95/22/72/570952272.db2.gz APGPMRSHSBLBEO-SFHVURJKSA-N 0 0 378.819 4.525 50 0 GJAARN Cc1cccnc1N(C(=O)Nc1cccc(C(F)(F)F)c1)C1=NC[C@@H](C)S1 ZINC000001279332 570952627 /nfs/dbraw/zinc/95/26/27/570952627.db2.gz VICOMOLMHPLFJJ-GFCCVEGCSA-N 0 0 394.422 4.939 50 0 GJAARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)c(O)c1 ZINC000000832819 570952760 /nfs/dbraw/zinc/95/27/60/570952760.db2.gz PPFGYHUZUPDCPB-FYJGNVAPSA-N 0 0 377.488 4.661 50 0 GJAARN COc1ccccc1NC(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033279076 570953348 /nfs/dbraw/zinc/95/33/48/570953348.db2.gz MEDWCKRASMFFFM-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN O=C(NCc1cccc(Br)c1)c1csc(Nc2ccccc2)n1 ZINC000033280714 570954227 /nfs/dbraw/zinc/95/42/27/570954227.db2.gz IVUOXYXTLJPYGO-UHFFFAOYSA-N 0 0 388.290 4.579 50 0 GJAARN Cc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc1C ZINC000263617090 570954795 /nfs/dbraw/zinc/95/47/95/570954795.db2.gz MAIZWOJLFGHGEW-LJQANCHMSA-N 0 0 390.418 4.628 50 0 GJAARN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000002122291 570956680 /nfs/dbraw/zinc/95/66/80/570956680.db2.gz FWOFSGVAIHDXDD-CBLXTYLSSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN Cc1cccc(-c2nc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)no2)c1 ZINC000033281859 570957320 /nfs/dbraw/zinc/95/73/20/570957320.db2.gz FROSWLZTGMMLQI-UHFFFAOYSA-N 0 0 386.455 4.546 50 0 GJAARN Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000012062938 570957710 /nfs/dbraw/zinc/95/77/10/570957710.db2.gz KWOKLIKYYCSMHG-KRWDZBQOSA-N 0 0 393.936 4.605 50 0 GJAARN CCc1nc2cc(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2[nH]1 ZINC000033290547 570958714 /nfs/dbraw/zinc/95/87/14/570958714.db2.gz INEAANYJLUWNQH-UHFFFAOYSA-N 0 0 377.366 4.595 50 0 GJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(Cc1ccccn1)C1CC1 ZINC000052953787 570958770 /nfs/dbraw/zinc/95/87/70/570958770.db2.gz UARZYYGIHPWEPV-UHFFFAOYSA-N 0 0 383.904 4.972 50 0 GJAARN CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 ZINC000012111466 570959020 /nfs/dbraw/zinc/95/90/20/570959020.db2.gz KBBOEVLNOPPHJM-UHFFFAOYSA-N 0 0 381.432 4.565 50 0 GJAARN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000252458396 570959591 /nfs/dbraw/zinc/95/95/91/570959591.db2.gz FJRXLIOAIYSABX-DYVFJYSZSA-N 0 0 382.485 4.861 50 0 GJAARN COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)c1 ZINC000032105008 570960405 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DTWOIEBOUFDVOG-UHFFFAOYSA-N 0 0 392.509 4.793 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1 ZINC000017297400 210208200 /nfs/dbraw/zinc/20/82/00/210208200.db2.gz QVYIZYLEDCQGPK-UHFFFAOYSA-N 0 0 392.261 4.599 50 0 GJAARN COc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000017246781 210207361 /nfs/dbraw/zinc/20/73/61/210207361.db2.gz LUOOERTYTXNILJ-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000017135779 210205568 /nfs/dbraw/zinc/20/55/68/210205568.db2.gz JKKSPALLDLUSKW-UHFFFAOYSA-N 0 0 399.903 4.847 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1C[C@H](C)C[C@H](C)C1 ZINC000017079378 210202492 /nfs/dbraw/zinc/20/24/92/210202492.db2.gz ZSPYWLCKTUGBGZ-OKILXGFUSA-N 0 0 388.558 4.876 50 0 GJAARN COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000017045563 210201602 /nfs/dbraw/zinc/20/16/02/210201602.db2.gz BQZXIGCFYYFKMG-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN Cc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017042424 210200887 /nfs/dbraw/zinc/20/08/87/210200887.db2.gz OXVSAHSLMFYOHU-UHFFFAOYSA-N 0 0 384.487 4.858 50 0 GJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000016837153 210199272 /nfs/dbraw/zinc/19/92/72/210199272.db2.gz CIUDRPDXYRKULS-GASCZTMLSA-N 0 0 386.542 4.630 50 0 GJAARN Cc1nc2c3ccccc3sc2c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000016841893 210198797 /nfs/dbraw/zinc/19/87/97/210198797.db2.gz ZPIPDHMNTQKUCJ-UHFFFAOYSA-N 0 0 391.496 4.682 50 0 GJAARN CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000016741936 210194498 /nfs/dbraw/zinc/19/44/98/210194498.db2.gz DVXVHXSZYJKZAK-NRFANRHFSA-N 0 0 382.419 4.500 50 0 GJAARN O=C(/C=C/c1ccc(OC(F)F)cc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000016300650 210188156 /nfs/dbraw/zinc/18/81/56/210188156.db2.gz HTPWDJHRMFJLSS-YXMGTMDOSA-N 0 0 379.403 4.794 50 0 GJAARN CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2ccc3c(ccn3C)c2)cc1 ZINC000426384008 529896526 /nfs/dbraw/zinc/89/65/26/529896526.db2.gz WWRACIGJWGYHLP-JOCHJYFZSA-N 0 0 376.500 4.877 50 0 GJAARN CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 ZINC000015883214 210178652 /nfs/dbraw/zinc/17/86/52/210178652.db2.gz YWPMLSZLGMKZFO-UHFFFAOYSA-N 0 0 380.875 4.926 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cccs1)CC(=O)N2 ZINC000015868344 210178297 /nfs/dbraw/zinc/17/82/97/210178297.db2.gz VJRAONLAQMUNNH-LBPRGKRZSA-N 0 0 380.498 4.634 50 0 GJAARN COc1cccc(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)c1 ZINC000015858697 210175194 /nfs/dbraw/zinc/17/51/94/210175194.db2.gz QIPBOSMUJSBZJM-UHFFFAOYSA-N 0 0 395.462 4.796 50 0 GJAARN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc(C)c1 ZINC000015799946 210171157 /nfs/dbraw/zinc/17/11/57/210171157.db2.gz OZLPVXNJSKVHOJ-UNOMPAQXSA-N 0 0 383.469 4.639 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1 ZINC000015825862 210170825 /nfs/dbraw/zinc/17/08/25/210170825.db2.gz CJGISCJGZGKZLE-UHFFFAOYSA-N 0 0 375.472 4.794 50 0 GJAARN CCOc1ccc(-c2nc(CNC(=O)Nc3ccc(C)cc3C)c(C)o2)cc1 ZINC000015774639 210168776 /nfs/dbraw/zinc/16/87/76/210168776.db2.gz AFOUVXAMALLIBW-UHFFFAOYSA-N 0 0 379.460 4.987 50 0 GJAARN CCc1cccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733382 210164998 /nfs/dbraw/zinc/16/49/98/210164998.db2.gz KQUVOANWBWUZNQ-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@H](c3cccs3)C2=O)c1C ZINC000015413635 210158097 /nfs/dbraw/zinc/15/80/97/210158097.db2.gz FWNSNJNJKLPDJD-OAQYLSRUSA-N 0 0 394.471 4.625 50 0 GJAARN COc1ccc(-c2csc3ncnc(NCc4cccc(OC)c4)c23)cc1 ZINC000015131733 210154816 /nfs/dbraw/zinc/15/48/16/210154816.db2.gz HROHBKVDGCAGBG-UHFFFAOYSA-N 0 0 377.469 4.988 50 0 GJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccsc2)CC(=O)N3)cc1 ZINC000015106596 210152286 /nfs/dbraw/zinc/15/22/86/210152286.db2.gz UVNNFNYGPOBHSR-OAHLLOKOSA-N 0 0 398.509 4.853 50 0 GJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2nccs2)c(F)c1 ZINC000015074305 210150628 /nfs/dbraw/zinc/15/06/28/210150628.db2.gz LJQOUHRZNMIVJN-QFIPXVFZSA-N 0 0 393.487 4.920 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCC1CC1 ZINC000408526002 530013811 /nfs/dbraw/zinc/01/38/11/530013811.db2.gz INBYHDJJRWYBCZ-UHFFFAOYSA-N 0 0 394.906 4.744 50 0 GJAARN COc1ccc(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)c(OC)c1 ZINC000015070654 210147245 /nfs/dbraw/zinc/14/72/45/210147245.db2.gz BUQCVLNXPNLUGH-UHFFFAOYSA-N 0 0 395.499 4.688 50 0 GJAARN CSCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000015069576 210147143 /nfs/dbraw/zinc/14/71/43/210147143.db2.gz JYAVVUBGTQEIJU-HXUWFJFHSA-N 0 0 396.556 4.592 50 0 GJAARN O=C(CSc1ccccn1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 ZINC000015002449 210143358 /nfs/dbraw/zinc/14/33/58/210143358.db2.gz JEWHWMPFYASDMX-UHFFFAOYSA-N 0 0 382.529 4.544 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)Nc1ccc(F)c(F)c1F ZINC000015002024 210142852 /nfs/dbraw/zinc/14/28/52/210142852.db2.gz DBADYKNSNBDBPA-DHZHZOJOSA-N 0 0 399.416 4.926 50 0 GJAARN Cc1c(C(=O)NCC2CCCCC2)sc2ncnc(NCc3ccco3)c12 ZINC000014988273 210140676 /nfs/dbraw/zinc/14/06/76/210140676.db2.gz BEOMHNPFNWEOMQ-UHFFFAOYSA-N 0 0 384.505 4.515 50 0 GJAARN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(SC)c2)C1 ZINC000014955713 210134298 /nfs/dbraw/zinc/13/42/98/210134298.db2.gz ZDNIQJPONOTVLR-OAHLLOKOSA-N 0 0 384.501 4.544 50 0 GJAARN CC[C@H](C)CC(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000014954720 210133710 /nfs/dbraw/zinc/13/37/10/210133710.db2.gz CMIYGWSJAQRXHW-BLLLJJGKSA-N 0 0 389.492 4.613 50 0 GJAARN O=C(/C=C/c1cccc2cccnc12)OCc1nc2ccccc2n1C(F)F ZINC000014903284 210132149 /nfs/dbraw/zinc/13/21/49/210132149.db2.gz IQMIBVXASXTQPS-ZHACJKMWSA-N 0 0 379.366 4.736 50 0 GJAARN O=C(OCc1nc2ccccc2n1C(F)F)c1c2c(nc3ccccc31)CCC2 ZINC000014902372 210130576 /nfs/dbraw/zinc/13/05/76/210130576.db2.gz KUSZZGRPFVMTTN-UHFFFAOYSA-N 0 0 393.393 4.825 50 0 GJAARN COc1ccc(CN2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)cc1O ZINC000014879840 210129749 /nfs/dbraw/zinc/12/97/49/210129749.db2.gz NRVVQAMECFGWTL-JOCHJYFZSA-N 0 0 381.497 4.907 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000014830969 210128416 /nfs/dbraw/zinc/12/84/16/210128416.db2.gz LEGQVJLMXQBIOF-UHFFFAOYSA-N 0 0 397.434 4.726 50 0 GJAARN O=C(/C=C/c1ccc(Br)s1)Nc1nc(-c2ccccn2)cs1 ZINC000014688902 210123564 /nfs/dbraw/zinc/12/35/64/210123564.db2.gz AEVXRBCMUQQLAD-FNORWQNLSA-N 0 0 392.303 4.681 50 0 GJAARN FC(F)(Br)[C@](F)(Br)C(F)(F)Oc1ccccc1 ZINC000014628556 210123570 /nfs/dbraw/zinc/12/35/70/210123570.db2.gz QYJBNNMFIHYLKB-SSDOTTSWSA-N 0 0 383.936 4.707 50 0 GJAARN CCOc1c(Br)cc(Cl)cc1NC(=O)Cc1ccc(OC)cc1 ZINC000014556045 210121743 /nfs/dbraw/zinc/12/17/43/210121743.db2.gz VAZQKRJXMCCYKT-UHFFFAOYSA-N 0 0 398.684 4.691 50 0 GJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)cc1 ZINC000014609631 210121788 /nfs/dbraw/zinc/12/17/88/210121788.db2.gz JCWXTPFSSULTLW-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2nc3ccccc3s2)c1Cl ZINC000014677433 210122629 /nfs/dbraw/zinc/12/26/29/210122629.db2.gz MCUABWIIKVQOQQ-UHFFFAOYSA-N 0 0 388.663 4.591 50 0 GJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(C)Cc1cccc(Cl)c1 ZINC000014249700 210114862 /nfs/dbraw/zinc/11/48/62/210114862.db2.gz CMAQRHKLLKXYAJ-UHFFFAOYSA-N 0 0 382.895 4.815 50 0 GJAARN Cc1ccc([C@@H](NC(=O)Cc2cnn(-c3ccccc3)c2)c2ccccc2)cc1 ZINC000014169942 210106892 /nfs/dbraw/zinc/10/68/92/210106892.db2.gz UUHUFRRRBLRGCM-VWLOTQADSA-N 0 0 381.479 4.629 50 0 GJAARN C[C@@H]1CCCCN1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000014193810 210109674 /nfs/dbraw/zinc/10/96/74/210109674.db2.gz HZXRHAHJKAVFBZ-LLVKDONJSA-N 0 0 384.332 4.930 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1 ZINC000014104827 210103337 /nfs/dbraw/zinc/10/33/37/210103337.db2.gz VCBHODMFHKUIAW-UHFFFAOYSA-N 0 0 379.441 4.829 50 0 GJAARN CCc1cccc(C)c1NC(=O)CN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000014085790 210101485 /nfs/dbraw/zinc/10/14/85/210101485.db2.gz LDAOXKVMFNTBQB-RUZDIDTESA-N 0 0 388.511 4.884 50 0 GJAARN COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc12 ZINC000014009835 210100555 /nfs/dbraw/zinc/10/05/55/210100555.db2.gz SBCDOQSSHIHMNW-WOJGMQOQSA-N 0 0 378.815 4.599 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2cccn2)cc1 ZINC000014020093 210100077 /nfs/dbraw/zinc/10/00/77/210100077.db2.gz WQZSIDOZVVGPAX-DEOSSOPVSA-N 0 0 381.479 4.645 50 0 GJAARN Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1ccncc1)O2 ZINC000013752143 210087886 /nfs/dbraw/zinc/08/78/86/210087886.db2.gz OECXDQQNWHIUCS-APWZRJJASA-N 0 0 396.244 4.679 50 0 GJAARN O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1Cc1ccccc1)CCC4 ZINC000013727504 210085001 /nfs/dbraw/zinc/08/50/01/210085001.db2.gz QIHITGIRDOYRHR-UHFFFAOYSA-N 0 0 399.475 4.803 50 0 GJAARN COC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)cc1 ZINC000013693139 210081204 /nfs/dbraw/zinc/08/12/04/210081204.db2.gz ORTZTLNBVSRDFX-UHFFFAOYSA-N 0 0 386.860 4.811 50 0 GJAARN CC(=O)c1cccc(NC(=O)CCn2ccc3cc(Br)ccc32)c1 ZINC000013690331 210081234 /nfs/dbraw/zinc/08/12/34/210081234.db2.gz FCUZJROMLKWDOK-UHFFFAOYSA-N 0 0 385.261 4.635 50 0 GJAARN Cc1ccc2oc(C(=O)Nc3nonc3-c3ccc(C(C)C)cc3)cc(=O)c2c1 ZINC000013691703 210081249 /nfs/dbraw/zinc/08/12/49/210081249.db2.gz AGYBGBBTKGIIER-UHFFFAOYSA-N 0 0 389.411 4.527 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000013683998 210080306 /nfs/dbraw/zinc/08/03/06/210080306.db2.gz KIPNIQGGMVGXPL-UHFFFAOYSA-N 0 0 385.876 4.603 50 0 GJAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1O ZINC000013656073 210075831 /nfs/dbraw/zinc/07/58/31/210075831.db2.gz BVHJLPIFRTVFNE-OAHLLOKOSA-N 0 0 383.835 4.672 50 0 GJAARN O=C(Oc1ccc(Cl)c2ccccc12)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000037170389 210066056 /nfs/dbraw/zinc/06/60/56/210066056.db2.gz STPPSYPGXZWKGP-AWEZNQCLSA-N 0 0 383.831 4.544 50 0 GJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)cs1 ZINC000013357853 210058767 /nfs/dbraw/zinc/05/87/67/210058767.db2.gz SPPVBCGZUNSPRV-UHFFFAOYSA-N 0 0 392.933 4.559 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1c2ncnn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369814 210058464 /nfs/dbraw/zinc/05/84/64/210058464.db2.gz ASGNFCANFCRUBA-MSOLQXFVSA-N 0 0 384.911 4.810 50 0 biogenic GJAARN 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/nfs/dbraw/zinc/38/52/74/209385274.db2.gz BSJTVYGPCMKWEG-UHFFFAOYSA-N 0 0 387.867 4.975 50 0 GJAARN CCOc1cc(-c2nc3c4c(C)c(C)sc4ncn3n2)ccc1OC(F)F ZINC000002790919 209384802 /nfs/dbraw/zinc/38/48/02/209384802.db2.gz JHAUXUXJXHRPMA-UHFFFAOYSA-N 0 0 390.415 4.623 50 0 GJAARN COc1cccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(F)cc2)c1 ZINC000002929823 209399311 /nfs/dbraw/zinc/39/93/11/209399311.db2.gz BHZYEZDJCIXWOC-UHFFFAOYSA-N 0 0 394.446 4.843 50 0 GJAARN COc1cccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccccc2)c1 ZINC000002929581 209399159 /nfs/dbraw/zinc/39/91/59/209399159.db2.gz SGYWGHMRLBQVSZ-UHFFFAOYSA-N 0 0 376.456 4.704 50 0 GJAARN Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(N3CCC(C)CC3)c12 ZINC000002924520 209398767 /nfs/dbraw/zinc/39/87/67/209398767.db2.gz MSHSAADWMSRDAY-UHFFFAOYSA-N 0 0 386.565 4.689 50 0 GJAARN CCOc1ccc(NC(=O)C[C@H]2Nc3cccc4cccc(c43)NC2=O)cc1 ZINC000002889872 209395582 /nfs/dbraw/zinc/39/55/82/209395582.db2.gz UFVAJRKNCQXGGR-LJQANCHMSA-N 0 0 375.428 4.649 50 0 GJAARN CCCCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OC ZINC000002844614 209392136 /nfs/dbraw/zinc/39/21/36/209392136.db2.gz PSDQAOSEHCFAAV-SFQUDFHCSA-N 0 0 385.847 4.872 50 0 GJAARN CC(C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000002856291 209391727 /nfs/dbraw/zinc/39/17/27/209391727.db2.gz PFSGVPXYWJRWHR-UHFFFAOYSA-N 0 0 396.712 4.919 50 0 GJAARN CCCSc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1 ZINC000002851893 209391455 /nfs/dbraw/zinc/39/14/55/209391455.db2.gz IYBDEZNCVWFPCF-UHFFFAOYSA-N 0 0 378.306 4.608 50 0 GJAARN CC1(C)C(=O)O[C@H](c2c(F)c(F)c(F)c(F)c2F)C2(CCCCC2)C1=O ZINC000002841469 209390331 /nfs/dbraw/zinc/39/03/31/209390331.db2.gz LJAQTGKCFCYCJV-CQSZACIVSA-N 0 0 376.321 4.526 50 0 biogenic GJAARN Cc1ccccc1OCC(=O)NCCSCc1c(Cl)cccc1Cl ZINC000002815445 209388137 /nfs/dbraw/zinc/38/81/37/209388137.db2.gz BCCNSTYGSNIZTN-UHFFFAOYSA-N 0 0 384.328 4.730 50 0 GJAARN O=C(Nc1cccc(F)c1)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000002795652 209387170 /nfs/dbraw/zinc/38/71/70/209387170.db2.gz PRYHOQASKIMGFJ-UHFFFAOYSA-N 0 0 380.206 4.618 50 0 GJAARN Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 ZINC000002469589 209366808 /nfs/dbraw/zinc/36/68/08/209366808.db2.gz VLUIOMLCWRDHCP-OAHLLOKOSA-N 0 0 395.480 4.533 50 0 GJAARN O=C(Nc1nc2c(cc3c4c(cccc24)CC3)s1)c1ccc2c(c1)OCCO2 ZINC000002483664 209366254 /nfs/dbraw/zinc/36/62/54/209366254.db2.gz WUBRQLROPSBGMR-UHFFFAOYSA-N 0 0 388.448 4.572 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(C)cc1 ZINC000002452894 209365314 /nfs/dbraw/zinc/36/53/14/209365314.db2.gz XBSNWMGAPMHNHX-UHFFFAOYSA-N 0 0 380.517 4.621 50 0 GJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(C)C)cc1 ZINC000002461069 209365327 /nfs/dbraw/zinc/36/53/27/209365327.db2.gz ACCJAYSGIVBESJ-UHFFFAOYSA-N 0 0 377.487 4.824 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1 ZINC000002453386 209364805 /nfs/dbraw/zinc/36/48/05/209364805.db2.gz VBTFNBOYJWGSEE-UHFFFAOYSA-N 0 0 386.908 4.658 50 0 GJAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 ZINC000002454464 209365014 /nfs/dbraw/zinc/36/50/14/209365014.db2.gz XUPHFKIXCSIGQO-UHFFFAOYSA-N 0 0 394.544 4.864 50 0 GJAARN CCc1nc2c3ccccc3oc2c(SCC(=O)c2ccc(OC)cc2)n1 ZINC000002444743 209364052 /nfs/dbraw/zinc/36/40/52/209364052.db2.gz PHACYFOFCQNDOO-UHFFFAOYSA-N 0 0 378.453 4.922 50 0 GJAARN Cc1ccc(CNC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)cc1 ZINC000002768896 209383860 /nfs/dbraw/zinc/38/38/60/209383860.db2.gz MBMJLIKGGXOCBF-UHFFFAOYSA-N 0 0 392.409 4.572 50 0 GJAARN CCCc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 ZINC000002763809 209382252 /nfs/dbraw/zinc/38/22/52/209382252.db2.gz KFJJTEMAMIATQT-UHFFFAOYSA-N 0 0 393.439 4.835 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)COc1ccc(C)cc1 ZINC000002764125 209382122 /nfs/dbraw/zinc/38/21/22/209382122.db2.gz VNCSODZIMHMQGQ-UHFFFAOYSA-N 0 0 383.879 4.528 50 0 GJAARN CCCCn1c2ccccc2c2nnc(SCC(=O)c3ccccc3)nc21 ZINC000002745813 209380661 /nfs/dbraw/zinc/38/06/61/209380661.db2.gz YVIOAYTZOUVZGV-UHFFFAOYSA-N 0 0 376.485 4.755 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)OCC)cc1 ZINC000002721981 209380252 /nfs/dbraw/zinc/38/02/52/209380252.db2.gz ZMTCKXMTQULMDE-UHFFFAOYSA-N 0 0 380.444 4.776 50 0 GJAARN CCNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccccc1OC ZINC000002722440 209380115 /nfs/dbraw/zinc/38/01/15/209380115.db2.gz BNJNVVBBTNSNPQ-UHFFFAOYSA-N 0 0 399.535 4.563 50 0 GJAARN O=C(CSc1nccn1-c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000002723648 209379929 /nfs/dbraw/zinc/37/99/29/209379929.db2.gz JDQINOGYPCICAR-UHFFFAOYSA-N 0 0 395.381 4.761 50 0 GJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc5ccccc54)sc3nc12 ZINC000002722975 209379590 /nfs/dbraw/zinc/37/95/90/209379590.db2.gz XASSKHAGRUTOTO-UHFFFAOYSA-N 0 0 385.448 4.623 50 0 GJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(Cc1ccccc1)C3=O ZINC000002704570 209378112 /nfs/dbraw/zinc/37/81/12/209378112.db2.gz OIVGJMZZAVHJSY-JOCHJYFZSA-N 0 0 397.430 4.552 50 0 GJAARN Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002703976 209377570 /nfs/dbraw/zinc/37/75/70/209377570.db2.gz JJRWWMPRHZWUAG-JOCHJYFZSA-N 0 0 397.430 4.552 50 0 GJAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000002658182 209375441 /nfs/dbraw/zinc/37/54/41/209375441.db2.gz KMTQTXHIBFJFKN-UHFFFAOYSA-N 0 0 392.069 4.669 50 0 GJAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)N(C)c1ccccc1 ZINC000002652600 209375220 /nfs/dbraw/zinc/37/52/20/209375220.db2.gz FOHRFJIPXAZQJU-ZDUSSCGKSA-N 0 0 383.542 4.714 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c1 ZINC000002641423 209374363 /nfs/dbraw/zinc/37/43/63/209374363.db2.gz ZHIXJDIYDHKAQP-NRFANRHFSA-N 0 0 394.515 4.580 50 0 GJAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCc1ccc(Cl)cc1 ZINC000002629304 209373054 /nfs/dbraw/zinc/37/30/54/209373054.db2.gz HJUXTGBDQPEYEH-UHFFFAOYSA-N 0 0 395.842 4.606 50 0 GJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)cccc2C)c1C ZINC000002629511 209372728 /nfs/dbraw/zinc/37/27/28/209372728.db2.gz YHTCJKHBVBZIFM-UHFFFAOYSA-N 0 0 376.456 4.518 50 0 GJAARN CC(C)c1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000002621391 209371662 /nfs/dbraw/zinc/37/16/62/209371662.db2.gz XNZCOJGVADNTEM-UHFFFAOYSA-N 0 0 397.478 4.821 50 0 GJAARN CC[C@H](C)OC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 ZINC000002420221 209363147 /nfs/dbraw/zinc/36/31/47/209363147.db2.gz IILRNKPJJWZMJG-HNNXBMFYSA-N 0 0 388.471 4.728 50 0 GJAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O)c1ccccc1 ZINC000002408091 209362916 /nfs/dbraw/zinc/36/29/16/209362916.db2.gz MCEFSJVOEVDHJN-WOJBJXKFSA-N 0 0 399.494 4.830 50 0 GJAARN O=C1C[C@@H](c2ccccc2Cl)Cc2nc(N3CCc4ccccc4C3)ncc21 ZINC000002416563 209362740 /nfs/dbraw/zinc/36/27/40/209362740.db2.gz ZTMQTUUPAQBIHX-KRWDZBQOSA-N 0 0 389.886 4.605 50 0 GJAARN CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002411692 209362237 /nfs/dbraw/zinc/36/22/37/209362237.db2.gz LNGNPWDIFPPPMN-LBPRGKRZSA-N 0 0 394.862 4.765 50 0 GJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C3=O ZINC000002417541 209362120 /nfs/dbraw/zinc/36/21/20/209362120.db2.gz DGTOKPKTMQLTRU-FQEVSTJZSA-N 0 0 389.382 4.579 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000002404970 209361078 /nfs/dbraw/zinc/36/10/78/209361078.db2.gz IXFPXIGYJAFTIO-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN CC(=O)c1ccc(OC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000002375429 209360519 /nfs/dbraw/zinc/36/05/19/209360519.db2.gz HZFUTFNJVNWQGU-UHFFFAOYSA-N 0 0 384.391 4.825 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccs1 ZINC000002373543 209359880 /nfs/dbraw/zinc/35/98/80/209359880.db2.gz GSDJIJRLVNPRPA-UHFFFAOYSA-N 0 0 396.900 4.550 50 0 GJAARN CCCCCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 ZINC000002377786 209359604 /nfs/dbraw/zinc/35/96/04/209359604.db2.gz CLDYSGRAEWWCEF-UHFFFAOYSA-N 0 0 379.508 4.592 50 0 GJAARN Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1 ZINC000002355982 209359035 /nfs/dbraw/zinc/35/90/35/209359035.db2.gz KXDJPEQAMAVIIC-UHFFFAOYSA-N 0 0 386.480 4.519 50 0 GJAARN Cc1ccccc1CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 ZINC000002361330 209358181 /nfs/dbraw/zinc/35/81/81/209358181.db2.gz GEQZUGVEWZCNAX-UHFFFAOYSA-N 0 0 391.537 4.908 50 0 GJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC(C)C)c(Cl)c3n2)cc1 ZINC000002289527 209355134 /nfs/dbraw/zinc/35/51/34/209355134.db2.gz LEEWBMLQXOUAJU-UHFFFAOYSA-N 0 0 397.784 4.942 50 0 GJAARN Cc1ccc(C(=O)COC(=O)c2ccc(-c3cnc4ccccc4n3)cc2)cc1C ZINC000002279240 209354600 /nfs/dbraw/zinc/35/46/00/209354600.db2.gz WNVAJYOQNPKIIF-UHFFFAOYSA-N 0 0 396.446 4.953 50 0 GJAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1F ZINC000002289661 209354491 /nfs/dbraw/zinc/35/44/91/209354491.db2.gz QUTIIBSOKWDUSO-UHFFFAOYSA-N 0 0 391.899 4.596 50 0 GJAARN Cc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000002299070 209354266 /nfs/dbraw/zinc/35/42/66/209354266.db2.gz BDSWUGIHYGTWRP-WOJBJXKFSA-N 0 0 391.511 4.970 50 0 GJAARN COC(=O)COc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc32)cc1 ZINC000002266198 209353959 /nfs/dbraw/zinc/35/39/59/209353959.db2.gz LNZALBWIZNVEOP-UHFFFAOYSA-N 0 0 399.450 4.901 50 0 GJAARN Cc1cccc(C)c1NC(=O)C1(N2C(=O)C[C@H]2c2ccccc2)CCCCC1 ZINC000002272162 209353677 /nfs/dbraw/zinc/35/36/77/209353677.db2.gz VXOGWUCKNNNMHQ-FQEVSTJZSA-N 0 0 376.500 4.918 50 0 GJAARN Cc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1F ZINC000002256774 209352257 /nfs/dbraw/zinc/35/22/57/209352257.db2.gz CFUOGFNNPPMQLA-UHFFFAOYSA-N 0 0 392.434 4.559 50 0 GJAARN CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n1c(SC(C)C)nnc1n2C(C)C ZINC000002256727 209352366 /nfs/dbraw/zinc/35/23/66/209352366.db2.gz NPJSLDPOOQKPMH-QFIPXVFZSA-N 0 0 396.560 4.863 50 0 GJAARN COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(C)cc2)cc1OC ZINC000002223202 209351654 /nfs/dbraw/zinc/35/16/54/209351654.db2.gz OOKZNOQHVWIDJX-UHFFFAOYSA-N 0 0 390.439 4.517 50 0 GJAARN Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 ZINC000002232421 209351047 /nfs/dbraw/zinc/35/10/47/209351047.db2.gz ZCKAKYTYGYRONJ-UHFFFAOYSA-N 0 0 380.407 4.673 50 0 GJAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 ZINC000002238527 209350951 /nfs/dbraw/zinc/35/09/51/209350951.db2.gz GPQCYZUYWCDEGL-QHCPKHFHSA-N 0 0 395.458 4.889 50 0 GJAARN CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccccc2F)cc1 ZINC000002207467 209350434 /nfs/dbraw/zinc/35/04/34/209350434.db2.gz MBRFXMGACHREKF-KDYSTLNUSA-N 0 0 391.423 4.836 50 0 GJAARN CC(C)Cc1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1CCC2 ZINC000002214684 209350469 /nfs/dbraw/zinc/35/04/69/209350469.db2.gz ODDPJRVMUOABQZ-ZDUSSCGKSA-N 0 0 382.533 4.518 50 0 GJAARN Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 ZINC000002198936 209350249 /nfs/dbraw/zinc/35/02/49/209350249.db2.gz ZBGDDZZNEXOKPU-INIZCTEOSA-N 0 0 391.858 4.603 50 0 GJAARN CCOc1ccc(NC(=O)Nc2nnc(COc3cc(C)ccc3C)s2)cc1 ZINC000002215368 209350138 /nfs/dbraw/zinc/35/01/38/209350138.db2.gz PTCVFHQIWPSTHE-UHFFFAOYSA-N 0 0 398.488 4.777 50 0 GJAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccccc2F)cc1 ZINC000002207466 209350070 /nfs/dbraw/zinc/35/00/70/209350070.db2.gz MBRFXMGACHREKF-IDISGSTGSA-N 0 0 391.423 4.836 50 0 GJAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc4ccccc4c3)cc2oc1=O ZINC000002197302 209349680 /nfs/dbraw/zinc/34/96/80/209349680.db2.gz VNFQRVQTMWJPPK-UHFFFAOYSA-N 0 0 388.419 4.549 50 0 GJAARN Cc1ccc(C(=O)Oc2c(C)cc(-c3nn(C)c(=O)c4ccccc43)cc2C)cc1 ZINC000002152867 209348205 /nfs/dbraw/zinc/34/82/05/209348205.db2.gz CMQFETLAFLHROW-UHFFFAOYSA-N 0 0 398.462 4.745 50 0 GJAARN Cc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc12 ZINC000001825185 209339762 /nfs/dbraw/zinc/33/97/62/209339762.db2.gz IFDSKEJBEWWOKW-PGMHBOJBSA-N 0 0 397.478 4.878 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000001773641 209339127 /nfs/dbraw/zinc/33/91/27/209339127.db2.gz WWRFOLPIXRDNMQ-UHFFFAOYSA-N 0 0 395.908 4.993 50 0 GJAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000001748243 209338259 /nfs/dbraw/zinc/33/82/59/209338259.db2.gz PRZLQINXGUKHRX-OAHLLOKOSA-N 0 0 396.439 4.579 50 0 biogenic GJAARN Cc1cc(C)c(NC(=S)NC(=O)CCCOc2ccccc2)c(Cl)c1 ZINC000001783129 209338410 /nfs/dbraw/zinc/33/84/10/209338410.db2.gz QXJXMGRBZUDSOM-UHFFFAOYSA-N 0 0 376.909 4.629 50 0 GJAARN Cc1c(NC(=O)c2cc3cccc4c3n(c2=O)CCC4)cccc1C(F)(F)F ZINC000001741618 209336995 /nfs/dbraw/zinc/33/69/95/209336995.db2.gz VLDFZOMAADVIPA-UHFFFAOYSA-N 0 0 386.373 4.527 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)/C(Cl)=C1/Sc2ccccc2NC1=O ZINC000001613903 209334173 /nfs/dbraw/zinc/33/41/73/209334173.db2.gz RDJKSXKXEGGHFC-PFONDFGASA-N 0 0 379.268 4.782 50 0 GJAARN O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1Cl ZINC000001250837 209317389 /nfs/dbraw/zinc/31/73/89/209317389.db2.gz NBAYPVXMFRJKJZ-QHCPKHFHSA-N 0 0 387.866 4.980 50 0 GJAARN Clc1ccc(SCc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 ZINC000001404375 209326866 /nfs/dbraw/zinc/32/68/66/209326866.db2.gz JGAXOPCDHROAMD-UHFFFAOYSA-N 0 0 397.931 4.926 50 0 GJAARN COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000001397655 209326595 /nfs/dbraw/zinc/32/65/95/209326595.db2.gz LYRFTFDZWBXRTP-HNNXBMFYSA-N 0 0 381.653 4.632 50 0 GJAARN C[C@H]1C(=O)N(Cc2ccccc2F)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385974 209324864 /nfs/dbraw/zinc/32/48/64/209324864.db2.gz OUTVBKQZTFALFQ-HNNXBMFYSA-N 0 0 392.405 4.547 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cccs3)C[C@H]21 ZINC000010216137 209322907 /nfs/dbraw/zinc/32/29/07/209322907.db2.gz FMVNODGSQFGOKT-UTKZUKDTSA-N 0 0 377.469 4.784 50 0 GJAARN CCN1c2ccc(NC(=O)CSc3ccc(OC)cc3)c3cccc(c23)C1=O ZINC000010022770 209320991 /nfs/dbraw/zinc/32/09/91/209320991.db2.gz CPLNLKDDHMXUDS-UHFFFAOYSA-N 0 0 392.480 4.559 50 0 GJAARN O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000001245739 209318140 /nfs/dbraw/zinc/31/81/40/209318140.db2.gz JTASLAQDAOBYCD-HSZRJFAPSA-N 0 0 387.866 4.980 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3ccc(OC4CCCC4)cc3)C[C@H]2C)c1 ZINC000001457128 209329749 /nfs/dbraw/zinc/32/97/49/209329749.db2.gz WODSZSGHEPJZPJ-LJQANCHMSA-N 0 0 378.516 4.667 50 0 GJAARN O=C(CSCc1cccc(Br)c1)Nc1cccc2cccnc21 ZINC000001233595 209316526 /nfs/dbraw/zinc/31/65/26/209316526.db2.gz MUJGUPHEDCBKLY-UHFFFAOYSA-N 0 0 387.302 4.869 50 0 GJAARN Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001160229 209308712 /nfs/dbraw/zinc/30/87/12/209308712.db2.gz UTXVKSHXKMEKME-UHFFFAOYSA-N 0 0 388.183 4.794 50 0 GJAARN O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(Cl)cc1Cl ZINC000001173331 209310401 /nfs/dbraw/zinc/31/04/01/209310401.db2.gz CMDCIGWVMVGEGF-UHFFFAOYSA-N 0 0 375.207 4.892 50 0 GJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)cc1 ZINC000001153731 209307881 /nfs/dbraw/zinc/30/78/81/209307881.db2.gz LBKUFSNMRRKETL-UHFFFAOYSA-N 0 0 398.246 4.913 50 0 GJAARN CCOc1ccc([C@H]2CC(=O)n3nc(-c4ccc(C)cc4)nc3S2)cc1OC ZINC000001151721 209306661 /nfs/dbraw/zinc/30/66/61/209306661.db2.gz HKUIMJGRJIWOKA-GOSISDBHSA-N 0 0 395.484 4.538 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000001092979 209300070 /nfs/dbraw/zinc/30/00/70/209300070.db2.gz AFIKJLLECSYZEE-VUUXHMSQSA-N 0 0 379.459 4.647 50 0 GJAARN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccccc1Cl ZINC000001081646 209298081 /nfs/dbraw/zinc/29/80/81/209298081.db2.gz GQTKGFOFUHKUKK-UHFFFAOYSA-N 0 0 378.859 4.565 50 0 GJAARN C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)C(C)(C)C ZINC000001073721 209296931 /nfs/dbraw/zinc/29/69/31/209296931.db2.gz QMYDBFGRWHEQQV-AWEZNQCLSA-N 0 0 376.456 4.795 50 0 GJAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1 ZINC000001073006 209296603 /nfs/dbraw/zinc/29/66/03/209296603.db2.gz IPRWSYWFNVGXIM-UHFFFAOYSA-N 0 0 388.423 4.503 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1ccc(Cl)cc1 ZINC000001059051 209295703 /nfs/dbraw/zinc/29/57/03/209295703.db2.gz AGZFKWSTSPUUMN-UHFFFAOYSA-N 0 0 375.255 4.929 50 0 GJAARN Cc1c(C(=O)OCc2ccc(C)cc2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000001071074 209296198 /nfs/dbraw/zinc/29/61/98/209296198.db2.gz ZOWUVIRVCJQEOV-INIZCTEOSA-N 0 0 379.481 4.963 50 0 GJAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000009708220 209294043 /nfs/dbraw/zinc/29/40/43/209294043.db2.gz PGLJJXDAPXPYOJ-IBGZPJMESA-N 0 0 384.451 4.560 50 0 GJAARN CSc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1 ZINC000001060474 209294907 /nfs/dbraw/zinc/29/49/07/209294907.db2.gz KZODSONXMDTHDH-NYYWCZLTSA-N 0 0 395.265 4.665 50 0 GJAARN S=C(NCc1ccc2c(c1)OCO2)Nc1cc(Cl)c(Cl)cc1Cl ZINC000001045254 209293045 /nfs/dbraw/zinc/29/30/45/209293045.db2.gz FVXSZBFJRRYNDA-UHFFFAOYSA-N 0 0 389.691 4.862 50 0 GJAARN Cc1nn(C)c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c(SC(C)C)c12 ZINC000001037700 209291898 /nfs/dbraw/zinc/29/18/98/209291898.db2.gz DYJZPAXIMXCISV-UHFFFAOYSA-N 0 0 392.887 4.822 50 0 GJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3c(cc(C)cc3C)[nH]1)CC2 ZINC000001033795 209291117 /nfs/dbraw/zinc/29/11/17/209291117.db2.gz WWLIQTOJVUZXQC-HNNXBMFYSA-N 0 0 378.472 4.561 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(-c3ccccn3)s1)CC2 ZINC000001032681 209290614 /nfs/dbraw/zinc/29/06/14/209290614.db2.gz WNUXQNAQGATDQF-CQSZACIVSA-N 0 0 394.496 4.587 50 0 GJAARN CCCc1cc(C(=O)Nc2ccc(N(CC)CC)cc2)nn1-c1ccccc1 ZINC000001032567 209290364 /nfs/dbraw/zinc/29/03/64/209290364.db2.gz DVIFFCKLYXJEFK-UHFFFAOYSA-N 0 0 376.504 4.923 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)o1)C[C@H](C(C)(C)C)CC2 ZINC000000995174 209288025 /nfs/dbraw/zinc/28/80/25/209288025.db2.gz YKJJGJIVGZADAN-GFCCVEGCSA-N 0 0 375.490 4.839 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000001031973 209289767 /nfs/dbraw/zinc/28/97/67/209289767.db2.gz RZIWEOHBMCBEHB-UHFFFAOYSA-N 0 0 382.876 4.980 50 0 GJAARN CC[C@H](Oc1cccc(NC(=O)c2cccc(OC)c2)c1)C(=O)c1ccccc1 ZINC000000993000 209286647 /nfs/dbraw/zinc/28/66/47/209286647.db2.gz AUJAYJRNZMQXQN-QFIPXVFZSA-N 0 0 389.451 4.988 50 0 GJAARN CC(C)c1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 ZINC000000980871 209285432 /nfs/dbraw/zinc/28/54/32/209285432.db2.gz SKBVISWSFWOMSM-OAHLLOKOSA-N 0 0 390.405 4.820 50 0 GJAARN CC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)ccc1C ZINC000000992862 209286456 /nfs/dbraw/zinc/28/64/56/209286456.db2.gz HQTTXEOZFSLGEV-QHCPKHFHSA-N 0 0 387.435 4.734 50 0 GJAARN Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000000940154 209280903 /nfs/dbraw/zinc/28/09/03/209280903.db2.gz WPWQDZKWYZTSTB-RUDMXATFSA-N 0 0 397.643 4.905 50 0 GJAARN COc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000942784 209281276 /nfs/dbraw/zinc/28/12/76/209281276.db2.gz VKOAAJSDVIPIJD-UHFFFAOYSA-N 0 0 395.842 4.597 50 0 GJAARN Cc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)c1 ZINC000009625517 209279668 /nfs/dbraw/zinc/27/96/68/209279668.db2.gz LUCSLWJWEXIUEI-UHFFFAOYSA-N 0 0 380.473 4.585 50 0 GJAARN CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn43)cs2)cc1 ZINC000000853354 209273360 /nfs/dbraw/zinc/27/33/60/209273360.db2.gz FLDHSBYMGAPQAH-UHFFFAOYSA-N 0 0 377.473 4.777 50 0 GJAARN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(F)cc2)c2cccs2)cc1 ZINC000000868802 209274639 /nfs/dbraw/zinc/27/46/39/209274639.db2.gz CDJDTRCCCLFIFD-FQEVSTJZSA-N 0 0 388.485 4.984 50 0 GJAARN Cc1ccc(-n2c3nncn3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000000856852 209273236 /nfs/dbraw/zinc/27/32/36/209273236.db2.gz RQLKDNFFGWUCTH-UHFFFAOYSA-N 0 0 396.494 4.614 50 0 GJAARN CCOC(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000000856335 209272686 /nfs/dbraw/zinc/27/26/86/209272686.db2.gz ZOGNTLBJKXKSRM-UHFFFAOYSA-N 0 0 392.436 4.837 50 0 GJAARN O=C(NCCCCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000009451099 209272692 /nfs/dbraw/zinc/27/26/92/209272692.db2.gz VAYBBKOTNICFAM-UHFFFAOYSA-N 0 0 396.494 4.687 50 0 GJAARN CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)cc1 ZINC000000850651 209271514 /nfs/dbraw/zinc/27/15/14/209271514.db2.gz KLXYWIPUEGGIQW-UHFFFAOYSA-N 0 0 386.407 4.546 50 0 GJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 ZINC000000827296 209270464 /nfs/dbraw/zinc/27/04/64/209270464.db2.gz YWUSAVPNQSUUMM-LBPRGKRZSA-N 0 0 396.796 4.659 50 0 GJAARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000823524 209269092 /nfs/dbraw/zinc/26/90/92/209269092.db2.gz AGRPSXWHMDRNFP-QGZVFWFLSA-N 0 0 397.302 4.887 50 0 GJAARN Cc1ccc(N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 ZINC000000808656 209268543 /nfs/dbraw/zinc/26/85/43/209268543.db2.gz OHONZWIZKDSTOH-KRWDZBQOSA-N 0 0 385.722 4.771 50 0 GJAARN COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cccs1 ZINC000000806934 209268295 /nfs/dbraw/zinc/26/82/95/209268295.db2.gz UXLVPMBIQPAHQX-UHFFFAOYSA-N 0 0 380.469 4.878 50 0 GJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)c1ccccn1 ZINC000000805382 209267633 /nfs/dbraw/zinc/26/76/33/209267633.db2.gz RXQIOWMTEFXDQC-UHFFFAOYSA-N 0 0 393.295 4.784 50 0 GJAARN CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000000797318 209266269 /nfs/dbraw/zinc/26/62/69/209266269.db2.gz HESPJAQBMMCLPQ-UHFFFAOYSA-N 0 0 392.238 4.607 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000000774701 209264212 /nfs/dbraw/zinc/26/42/12/209264212.db2.gz PZNHZFRUEOCECA-UHFFFAOYSA-N 0 0 379.847 4.757 50 0 GJAARN CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CCC2 ZINC000000715546 209262126 /nfs/dbraw/zinc/26/21/26/209262126.db2.gz BTTKPDXPEYNEIO-UHFFFAOYSA-N 0 0 387.501 4.554 50 0 GJAARN c1ccc(CSc2nnc3c(n2)O[C@@H](c2ccncc2)Nc2ccccc2-3)cc1 ZINC000000713100 209262128 /nfs/dbraw/zinc/26/21/28/209262128.db2.gz NNISDZVCHHWZOC-FQEVSTJZSA-N 0 0 399.479 4.729 50 0 GJAARN COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000708620 209260583 /nfs/dbraw/zinc/26/05/83/209260583.db2.gz SCLPCYRPADJLTR-UHFFFAOYSA-N 0 0 382.419 4.941 50 0 GJAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)c1 ZINC000000703974 209260658 /nfs/dbraw/zinc/26/06/58/209260658.db2.gz LOTXFQGEBKGMDF-JOCHJYFZSA-N 0 0 397.430 4.547 50 0 GJAARN O=S(=O)(c1ccccc1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000000705371 209260679 /nfs/dbraw/zinc/26/06/79/209260679.db2.gz FDELUQRXGVDOGE-UHFFFAOYSA-N 0 0 396.855 4.890 50 0 GJAARN O=Cc1scc(Br)c1-c1c(Br)csc1C=O ZINC000000690358 209260115 /nfs/dbraw/zinc/26/01/15/209260115.db2.gz ZOXZTSONCNZENF-UHFFFAOYSA-N 0 0 380.082 4.627 50 0 GJAARN COc1ccccc1OCCn1cc(C(=S)N2CCCCC2)c2ccccc21 ZINC000000665108 209256972 /nfs/dbraw/zinc/25/69/72/209256972.db2.gz FCKDVMJVLMYYGU-UHFFFAOYSA-N 0 0 394.540 4.890 50 0 GJAARN COc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OC(C)C ZINC000000672715 209257467 /nfs/dbraw/zinc/25/74/67/209257467.db2.gz RABJXUWAIWOTKW-DEDYPNTBSA-N 0 0 387.435 4.980 50 0 GJAARN COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 ZINC000000647224 209255690 /nfs/dbraw/zinc/25/56/90/209255690.db2.gz WPBWTLIGRHVFAF-UHFFFAOYSA-N 0 0 391.452 4.606 50 0 GJAARN O=C(NC(=S)NC1CCCCC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000650490 209255798 /nfs/dbraw/zinc/25/57/98/209255798.db2.gz VSFKUYCXNBXFMT-UHFFFAOYSA-N 0 0 389.524 4.839 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)cc1 ZINC000000670175 209256620 /nfs/dbraw/zinc/25/66/20/209256620.db2.gz RRFXYDGKSRLLRF-QGZVFWFLSA-N 0 0 387.435 4.676 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000670372 209256273 /nfs/dbraw/zinc/25/62/73/209256273.db2.gz BHGQQGOESDFXLR-LLVKDONJSA-N 0 0 382.243 4.576 50 0 GJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1 ZINC000000650427 209255068 /nfs/dbraw/zinc/25/50/68/209255068.db2.gz DEWYHTPVTOAGSF-UHFFFAOYSA-N 0 0 380.517 4.621 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)c1 ZINC000000649765 209254833 /nfs/dbraw/zinc/25/48/33/209254833.db2.gz UENLMGAGTAMCPU-UHFFFAOYSA-N 0 0 388.496 4.675 50 0 GJAARN O=C(CSc1nnc(-c2cccc3ccccc32)o1)Nc1ccc(Cl)cn1 ZINC000000645181 209254017 /nfs/dbraw/zinc/25/40/17/209254017.db2.gz ZPTGUXSBPXRIRI-UHFFFAOYSA-N 0 0 396.859 4.669 50 0 GJAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000000645781 209253778 /nfs/dbraw/zinc/25/37/78/209253778.db2.gz LBLSNMJCXPSWRC-UXBLZVDNSA-N 0 0 395.377 4.773 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)n2ccc(C)cc12 ZINC000000626848 209251231 /nfs/dbraw/zinc/25/12/31/209251231.db2.gz JAYFMGAHJPOYCB-UHFFFAOYSA-N 0 0 376.239 4.962 50 0 GJAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccccc3F)ccc1O2 ZINC000009135098 209250385 /nfs/dbraw/zinc/25/03/85/209250385.db2.gz GHNVODRQWJTKEP-UHFFFAOYSA-N 0 0 392.386 4.510 50 0 GJAARN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(Cl)cc1F ZINC000156911044 209246506 /nfs/dbraw/zinc/24/65/06/209246506.db2.gz YLGIRFHIFURFFL-UHFFFAOYSA-N 0 0 385.613 4.619 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2cccc(Br)c2)c1)c1ccco1 ZINC000004804184 209232437 /nfs/dbraw/zinc/23/24/37/209232437.db2.gz WXSSQMYFHQGYDG-UHFFFAOYSA-N 0 0 385.217 4.547 50 0 GJAARN CCOc1ccc(Nc2c(=O)n(C)c3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000000799092 209226682 /nfs/dbraw/zinc/22/66/82/209226682.db2.gz YVCBVDCABQBZCF-UHFFFAOYSA-N 0 0 396.446 4.892 50 0 biogenic GJAARN Cc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263618026 209225610 /nfs/dbraw/zinc/22/56/10/209225610.db2.gz QXDIHNHHGRVBMG-IBGZPJMESA-N 0 0 392.846 4.833 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC2CC2)[C@H]1c1cccs1 ZINC000257173181 209223977 /nfs/dbraw/zinc/22/39/77/209223977.db2.gz FXHSLAOXBRJLMT-LEWJYISDSA-N 0 0 396.556 4.601 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1ccncc1)CC(=O)O2 ZINC000253396412 209218096 /nfs/dbraw/zinc/21/80/96/209218096.db2.gz BBYRAVVBSGDVAT-KRWDZBQOSA-N 0 0 383.403 4.604 50 0 biogenic GJAARN COC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)CC1 ZINC000239612039 209215691 /nfs/dbraw/zinc/21/56/91/209215691.db2.gz FIGSKCCDUXJKPG-UHFFFAOYSA-N 0 0 398.506 5.125 50 0 GJAARN O[C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc2ccccc2o1 ZINC000033434055 209182368 /nfs/dbraw/zinc/18/23/68/209182368.db2.gz SWRIVBZGYURLCG-FQEVSTJZSA-N 0 0 397.356 4.846 50 0 GJAARN CCn1nc(C)c(-c2cccc(C(=O)N[C@H](C)c3ccc(O)c(F)c3)c2)c1C ZINC000299783139 212037273 /nfs/dbraw/zinc/03/72/73/212037273.db2.gz QTVLUXYCXYTSSM-CYBMUJFWSA-N 0 0 381.451 4.523 50 0 GJAARN COc1ccccc1-c1cc2c(c(OC)c1)OCCN(Cc1cccs1)C2 ZINC000299771547 212035888 /nfs/dbraw/zinc/03/58/88/212035888.db2.gz TXUZLCIRFYPVSB-UHFFFAOYSA-N 0 0 381.497 4.827 50 0 GJAARN O=C(NCc1cccs1)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 ZINC000263639819 212031969 /nfs/dbraw/zinc/03/19/69/212031969.db2.gz KJGBLJJIVOYHKM-UHFFFAOYSA-N 0 0 378.375 4.884 50 0 GJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc12 ZINC000328593207 203757030 /nfs/dbraw/zinc/75/70/30/203757030.db2.gz CMYYGKHAGAIHGV-CXAGYDPISA-N 0 0 385.508 4.902 50 0 GJAARN CCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)cc1 ZINC000000668965 203846865 /nfs/dbraw/zinc/84/68/65/203846865.db2.gz NGBPZCCTLZETLB-UHFFFAOYSA-N 0 0 381.453 4.853 50 0 GJAARN Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)c1 ZINC000000629957 203843209 /nfs/dbraw/zinc/84/32/09/203843209.db2.gz SQDXESGTTJTEMK-CBGCIVQGSA-N 0 0 379.459 4.782 50 0 GJAARN Cc1cccc(-n2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)c1 ZINC000000642799 203844460 /nfs/dbraw/zinc/84/44/60/203844460.db2.gz AIQSFMUIYJMCCW-UHFFFAOYSA-N 0 0 386.476 4.669 50 0 GJAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1cccnc1 ZINC000000648360 203845324 /nfs/dbraw/zinc/84/53/24/203845324.db2.gz ABVXEZOYZCIAGU-UHFFFAOYSA-N 0 0 380.469 4.856 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000001447928 203821811 /nfs/dbraw/zinc/82/18/11/203821811.db2.gz HQHCQDBRESKKDH-CYBMUJFWSA-N 0 0 386.831 4.752 50 0 biogenic GJAARN COc1ccc(C(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1 ZINC000002103467 203823523 /nfs/dbraw/zinc/82/35/23/203823523.db2.gz PQWQSGGFHABTIM-UHFFFAOYSA-N 0 0 386.403 4.730 50 0 biogenic GJAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(OC)cc1Cl ZINC000000668831 203846560 /nfs/dbraw/zinc/84/65/60/203846560.db2.gz GGMVOTQJBUXCGV-LLVKDONJSA-N 0 0 384.259 4.725 50 0 GJAARN O=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCCCC1 ZINC000000703926 203849603 /nfs/dbraw/zinc/84/96/03/203849603.db2.gz DPISMSORJHNNQS-UHFFFAOYSA-N 0 0 384.526 4.652 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000000713033 203849631 /nfs/dbraw/zinc/84/96/31/203849631.db2.gz NHIQMKBOJHQXPS-OAHLLOKOSA-N 0 0 394.858 4.998 50 0 GJAARN CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CC(C)C ZINC000000714969 203850487 /nfs/dbraw/zinc/85/04/87/203850487.db2.gz IKMVUXVFPTVUAS-UHFFFAOYSA-N 0 0 375.490 4.975 50 0 GJAARN Cc1cc2c(nc(-c3ccccc3)nc2C[C@H](O)C(Cl)(Cl)Cl)s1 ZINC000000824037 203857394 /nfs/dbraw/zinc/85/73/94/203857394.db2.gz VRACCCATEMJPMC-ZDUSSCGKSA-N 0 0 387.719 4.940 50 0 GJAARN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccnc1Cl ZINC000000908793 203863582 /nfs/dbraw/zinc/86/35/82/203863582.db2.gz MGJSBZSYCYMEJS-UHFFFAOYSA-N 0 0 385.210 4.844 50 0 GJAARN COc1ccc(C(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)cc1 ZINC000000954356 203867661 /nfs/dbraw/zinc/86/76/61/203867661.db2.gz JFOOCUFSFLQKQH-UHFFFAOYSA-N 0 0 390.464 4.794 50 0 aggregator GJAARN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000001058020 203877893 /nfs/dbraw/zinc/87/78/93/203877893.db2.gz DJSAESLZQSCBQB-ZKKFKWFVSA-N 0 0 399.877 4.911 50 0 GJAARN CCSc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001121287 203885594 /nfs/dbraw/zinc/88/55/94/203885594.db2.gz FDKBVLVLNJEIDX-UHFFFAOYSA-N 0 0 394.462 4.780 50 0 GJAARN O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccco1 ZINC000001158162 203891374 /nfs/dbraw/zinc/89/13/74/203891374.db2.gz DONALKZZPAMZRV-UHFFFAOYSA-N 0 0 379.466 4.683 50 0 GJAARN COc1ccc([C@@H]2SCCN2C(=S)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000001441203 203909604 /nfs/dbraw/zinc/90/96/04/203909604.db2.gz UGHCKBOVMNFQKF-KRWDZBQOSA-N 0 0 394.949 4.802 50 0 GJAARN CCOc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)c1 ZINC000001457138 203910677 /nfs/dbraw/zinc/91/06/77/203910677.db2.gz UYSXMJQCTOJVBZ-IRXDYDNUSA-N 0 0 390.483 4.550 50 0 GJAARN O=C(NCc1ccco1)c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000001517260 203913731 /nfs/dbraw/zinc/91/37/31/203913731.db2.gz NGEWMLOIOGNCML-UHFFFAOYSA-N 0 0 394.434 4.586 50 0 GJAARN CCOc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001918988 203922389 /nfs/dbraw/zinc/92/23/89/203922389.db2.gz UOZRYPGACZXZKJ-UHFFFAOYSA-N 0 0 375.424 4.548 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CC[C@H](C)C2 ZINC000001930385 203923385 /nfs/dbraw/zinc/92/33/85/203923385.db2.gz AUPVADIDDHYDDH-HJTPGIPUSA-N 0 0 387.476 4.841 50 0 GJAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=O)N1c1ccccc1 ZINC000002087643 203925870 /nfs/dbraw/zinc/92/58/70/203925870.db2.gz NSQNBXBJKYAZOR-JTHBVZDNSA-N 0 0 393.446 4.651 50 0 biogenic GJAARN CCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000002131930 203929183 /nfs/dbraw/zinc/92/91/83/203929183.db2.gz DXGFBVVUZAVGQC-GFCCVEGCSA-N 0 0 396.270 4.966 50 0 GJAARN COC(=O)COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc32)cc1 ZINC000002347830 203938991 /nfs/dbraw/zinc/93/89/91/203938991.db2.gz TXRAEVWCVKTJNX-UHFFFAOYSA-N 0 0 385.423 4.592 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000002759751 203960816 /nfs/dbraw/zinc/96/08/16/203960816.db2.gz CRIODYJPKFVOHJ-UHFFFAOYSA-N 0 0 395.842 4.943 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCc1ccc(OC)cc1 ZINC000002762357 203961189 /nfs/dbraw/zinc/96/11/89/203961189.db2.gz NXFUGRUMHLNHKC-UHFFFAOYSA-N 0 0 395.480 4.782 50 0 GJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)ccc2OC)c1 ZINC000002812182 203965574 /nfs/dbraw/zinc/96/55/74/203965574.db2.gz MZIMVUMRBGMLLA-UHFFFAOYSA-N 0 0 392.908 4.654 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccccc1 ZINC000002859354 203969831 /nfs/dbraw/zinc/96/98/31/203969831.db2.gz NOINJJBEPLBCPU-NRFANRHFSA-N 0 0 385.394 4.678 50 0 GJAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000002930693 203975417 /nfs/dbraw/zinc/97/54/17/203975417.db2.gz DCQASCXFHLGSNA-BTYIYWSLSA-N 0 0 384.495 4.890 50 0 GJAARN Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)COc1ccccc1 ZINC000002972308 203978615 /nfs/dbraw/zinc/97/86/15/203978615.db2.gz GXQVAPWVSJHTBR-UHFFFAOYSA-N 0 0 375.453 4.684 50 0 GJAARN Cc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCC2=CCCCC2)cc1 ZINC000003036172 203982243 /nfs/dbraw/zinc/98/22/43/203982243.db2.gz GQOZFWNEDZWDEC-XMMPIXPASA-N 0 0 394.559 4.930 50 0 GJAARN O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccc(SC(F)F)cc1 ZINC000003231702 203991261 /nfs/dbraw/zinc/99/12/61/203991261.db2.gz HIJTXDFVLJFYBU-UHFFFAOYSA-N 0 0 389.782 4.589 50 0 GJAARN O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc2ccccc2c1 ZINC000003235527 203992254 /nfs/dbraw/zinc/99/22/54/203992254.db2.gz UVMTZFSKKUOYIV-UHFFFAOYSA-N 0 0 375.758 4.567 50 0 GJAARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](OC(=O)C1CC1)c1ccccc1 ZINC000003240563 203992612 /nfs/dbraw/zinc/99/26/12/203992612.db2.gz CPGMAFSAFOVJLW-MRXNPFEDSA-N 0 0 397.780 4.992 50 0 GJAARN CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CC[C@H](C)C2 ZINC000002708078 203956365 /nfs/dbraw/zinc/95/63/65/203956365.db2.gz VCIOEESTIXGQQN-LBPRGKRZSA-N 0 0 375.490 4.522 50 0 GJAARN CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002721634 203958155 /nfs/dbraw/zinc/95/81/55/203958155.db2.gz LWMFJZHBGAMGHW-UHFFFAOYSA-N 0 0 379.890 4.940 50 0 GJAARN CCC[C@@H](Sc1nnc(-c2ccco2)n1-c1ccc(C)cc1)C(=O)OCC ZINC000004358399 204040253 /nfs/dbraw/zinc/04/02/53/204040253.db2.gz JLZVWLSGVZIVRM-QGZVFWFLSA-N 0 0 385.489 4.660 50 0 GJAARN Cc1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000003332669 203998677 /nfs/dbraw/zinc/99/86/77/203998677.db2.gz TVJHAEFSNKPDRC-JGVFFNPUSA-N 0 0 376.334 4.511 50 0 GJAARN Cc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000003345779 203999988 /nfs/dbraw/zinc/99/99/88/203999988.db2.gz YDLMLIMRQDTNKG-KRWDZBQOSA-N 0 0 390.512 4.995 50 0 GJAARN CCc1cccc(CC)c1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000003358273 204001709 /nfs/dbraw/zinc/00/17/09/204001709.db2.gz ZLVLMOFCHZIXJN-UHFFFAOYSA-N 0 0 392.499 4.797 50 0 GJAARN CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)C(=S)N1C ZINC000004363950 204042155 /nfs/dbraw/zinc/04/21/55/204042155.db2.gz LTYJVKALCBQSGY-HKWRFOASSA-N 0 0 388.492 4.843 50 0 GJAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003402103 204004246 /nfs/dbraw/zinc/00/42/46/204004246.db2.gz OVPKNPKLXDMTDO-LJQANCHMSA-N 0 0 387.479 4.648 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCSCc1ccco1 ZINC000004364778 204042303 /nfs/dbraw/zinc/04/23/03/204042303.db2.gz WMWBLXUQSHEXGK-UHFFFAOYSA-N 0 0 376.865 4.560 50 0 GJAARN COc1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1OC ZINC000003513446 204011387 /nfs/dbraw/zinc/01/13/87/204011387.db2.gz MPBGJSIGMFMJTA-UHFFFAOYSA-N 0 0 396.439 4.599 50 0 GJAARN O=C(Cc1cccc2ccccc21)Nc1cc2c(cc1Br)OCCO2 ZINC000003553942 204012333 /nfs/dbraw/zinc/01/23/33/204012333.db2.gz WZOPMNIIZJAAEZ-UHFFFAOYSA-N 0 0 398.256 4.555 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1C ZINC000003587742 204014648 /nfs/dbraw/zinc/01/46/48/204014648.db2.gz YETZPVCRPMYJOI-UHFFFAOYSA-N 0 0 391.423 4.666 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N2CC(=O)Nc3ccccc32)cc1 ZINC000003625540 204015692 /nfs/dbraw/zinc/01/56/92/204015692.db2.gz CBOBFTJZIOZMDZ-DEOSSOPVSA-N 0 0 399.494 4.949 50 0 GJAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1 ZINC000003655315 204016486 /nfs/dbraw/zinc/01/64/86/204016486.db2.gz DCQCQZWGFQNDCI-UHFFFAOYSA-N 0 0 385.419 4.854 50 0 GJAARN CCSc1nnc2c(n1)O[C@H](c1cccc(O)c1Cl)Nc1ccccc1-2 ZINC000003653299 204017221 /nfs/dbraw/zinc/01/72/21/204017221.db2.gz SJIITSIWAFWGFE-MRXNPFEDSA-N 0 0 386.864 4.513 50 0 GJAARN COc1ccccc1NC(=O)c1sc(=S)n(-c2c(C)cccc2C)c1N ZINC000003632879 204017305 /nfs/dbraw/zinc/01/73/05/204017305.db2.gz NJNCCGHPCKVKCZ-UHFFFAOYSA-N 0 0 385.514 4.728 50 0 GJAARN COc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1OC ZINC000004003829 204022406 /nfs/dbraw/zinc/02/24/06/204022406.db2.gz WWWCBHIAKSFMSN-VQHVLOKHSA-N 0 0 386.245 4.891 50 0 GJAARN CCCCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)C)n1 ZINC000004051375 204024646 /nfs/dbraw/zinc/02/46/46/204024646.db2.gz MYCWENVFARNXCN-UHFFFAOYSA-N 0 0 375.534 4.909 50 0 GJAARN CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2C[C@@H](O)[C@](C)(C3SCCS3)C[C@H]12 ZINC000004114357 204027488 /nfs/dbraw/zinc/02/74/88/204027488.db2.gz GEFRKHXTFACOQE-XSNWEMFJSA-N 0 0 398.634 4.718 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c3ccccc3oc21 ZINC000004106805 204027798 /nfs/dbraw/zinc/02/77/98/204027798.db2.gz OUSDUTQSTJPLMQ-UHFFFAOYSA-N 0 0 399.859 4.769 50 0 aggregator GJAARN O=C(c1cccs1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000004273310 204035189 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205009112 /nfs/dbraw/zinc/00/91/12/205009112.db2.gz QTNNRVUCAHBCMF-SFHVURJKSA-N 0 0 381.497 4.960 50 0 GJAARN COc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246292 205009251 /nfs/dbraw/zinc/00/92/51/205009251.db2.gz IITKBKJARGIDLL-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000036248578 205009852 /nfs/dbraw/zinc/00/98/52/205009852.db2.gz XJBPZMBLGMVHSC-GOSISDBHSA-N 0 0 381.497 4.960 50 0 GJAARN COc1cccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248595 205009886 /nfs/dbraw/zinc/00/98/86/205009886.db2.gz WBHNYCZJHWCUQZ-INIZCTEOSA-N 0 0 385.460 4.791 50 0 GJAARN COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2C)cc1 ZINC000036248867 205009914 /nfs/dbraw/zinc/00/99/14/205009914.db2.gz HNEIYGVUPRTHFD-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(C(=O)C(C)C)C(C)C ZINC000036248982 205009955 /nfs/dbraw/zinc/00/99/55/205009955.db2.gz AILBXTMFUIOZQF-UHFFFAOYSA-N 0 0 375.488 4.720 50 0 GJAARN COc1cccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246785 205009971 /nfs/dbraw/zinc/00/99/71/205009971.db2.gz VPSHBXXDXRAXLJ-SFHVURJKSA-N 0 0 381.497 4.960 50 0 GJAARN O=C(Nc1ccccc1)N1CCC[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036315764 205010782 /nfs/dbraw/zinc/01/07/82/205010782.db2.gz CRKCLDSSFTZKDH-SFHVURJKSA-N 0 0 378.394 4.919 50 0 GJAARN Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036343541 205010804 /nfs/dbraw/zinc/01/08/04/205010804.db2.gz ZDEDKENYYNIZCX-DEOSSOPVSA-N 0 0 389.543 4.775 50 0 GJAARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2cccc(OC)c2)n1 ZINC000036350209 205012937 /nfs/dbraw/zinc/01/29/37/205012937.db2.gz AIMRTKOMPBYHKA-UHFFFAOYSA-N 0 0 396.468 4.861 50 0 GJAARN O=C(NC1CCCC1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000035502537 204992024 /nfs/dbraw/zinc/99/20/24/204992024.db2.gz BYBRAHHLNODTFG-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN O=C([C@@H]1CC=CCC1)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000039355496 205040649 /nfs/dbraw/zinc/04/06/49/205040649.db2.gz UGNZJDQAKCMTPP-CQSZACIVSA-N 0 0 376.378 4.601 50 0 GJAARN Cc1nccn1Cc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000036394044 205016576 /nfs/dbraw/zinc/01/65/76/205016576.db2.gz RRIKRDCTLWNGOT-UHFFFAOYSA-N 0 0 380.801 4.919 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(-n4cccc4)cc3)c12 ZINC000036613727 205017142 /nfs/dbraw/zinc/01/71/42/205017142.db2.gz GQHNDLCIAGGWSO-AWEZNQCLSA-N 0 0 386.455 4.690 50 0 GJAARN CCCCn1c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000036614338 205018463 /nfs/dbraw/zinc/01/84/63/205018463.db2.gz VUCZGORRESXYLM-UHFFFAOYSA-N 0 0 395.406 4.646 50 0 GJAARN CCCn1nc(C)c2c1nc(C)cc2C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000036616900 205018728 /nfs/dbraw/zinc/01/87/28/205018728.db2.gz GAKUQDGDULHZIN-UHFFFAOYSA-N 0 0 390.531 4.553 50 0 GJAARN CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036621079 205020068 /nfs/dbraw/zinc/02/00/68/205020068.db2.gz JOPJMXYYUIGWHM-LJQANCHMSA-N 0 0 386.879 4.815 50 0 GJAARN C[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccn1 ZINC000036802643 205022290 /nfs/dbraw/zinc/02/22/90/205022290.db2.gz DHVNYBWNOUAQBC-INIZCTEOSA-N 0 0 388.496 4.513 50 0 GJAARN C[C@@H]1C(=O)N(c2ccc(-c3ccccc3)cc2)CCN1Cc1c(F)cccc1F ZINC000037521743 205027319 /nfs/dbraw/zinc/02/73/19/205027319.db2.gz LUWCBTIESMUFPX-QGZVFWFLSA-N 0 0 392.449 4.869 50 0 GJAARN C[C@H]1C(=O)N(c2ccc(-c3ccccc3)cc2)CCN1C(=O)Nc1ccccc1 ZINC000037523056 205027563 /nfs/dbraw/zinc/02/75/63/205027563.db2.gz LYENSKQVPKXYFH-SFHVURJKSA-N 0 0 385.467 4.623 50 0 GJAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NC(C)C ZINC000037547063 205028074 /nfs/dbraw/zinc/02/80/74/205028074.db2.gz ZRPUEPJHLPLMHR-UHFFFAOYSA-N 0 0 395.478 4.878 50 0 GJAARN CC(C)NC(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F ZINC000037546842 205028294 /nfs/dbraw/zinc/02/82/94/205028294.db2.gz HGWPEMFIRUEIIH-UHFFFAOYSA-N 0 0 399.441 4.615 50 0 GJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CC2)cc1)Nc1ccccc1 ZINC000037555728 205028422 /nfs/dbraw/zinc/02/84/22/205028422.db2.gz KQSPOLMAWRZYSD-UHFFFAOYSA-N 0 0 384.479 4.811 50 0 GJAARN CC(C)NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2)c1 ZINC000037600386 205029276 /nfs/dbraw/zinc/02/92/76/205029276.db2.gz AFYOCWYUTZIZOU-UHFFFAOYSA-N 0 0 386.495 4.601 50 0 GJAARN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1 ZINC000037560699 205029486 /nfs/dbraw/zinc/02/94/86/205029486.db2.gz RWINBVNFDQIRCN-UHFFFAOYSA-N 0 0 376.422 4.512 50 0 GJAARN Cc1cccc(-c2nnc(C3(c4cccc(Br)c4)CCOCC3)o2)c1 ZINC000071889904 205029860 /nfs/dbraw/zinc/02/98/60/205029860.db2.gz SZODPCQTQGTCQQ-UHFFFAOYSA-N 0 0 399.288 4.904 50 0 GJAARN O=C(CSc1ccc(F)cc1)N(CCc1cccs1)Cc1ccco1 ZINC000077183934 205033442 /nfs/dbraw/zinc/03/34/42/205033442.db2.gz OXYAAEWNNJNYAL-UHFFFAOYSA-N 0 0 375.490 4.844 50 0 GJAARN COC(=O)c1cc(Nc2cc(Cl)c(OC)cc2OC)c2cccc(C)c2n1 ZINC000038487142 205037591 /nfs/dbraw/zinc/03/75/91/205037591.db2.gz DOBGLZZULFRBAG-UHFFFAOYSA-N 0 0 386.835 4.744 50 0 GJAARN COc1nc2ccc(Br)cc2cc1[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000038490571 205037949 /nfs/dbraw/zinc/03/79/49/205037949.db2.gz XMPAREHMHYGKSP-INIZCTEOSA-N 0 0 396.643 4.880 50 0 GJAARN Cc1nc2ccc(NCC(=O)Nc3ccccc3SC(F)F)cc2s1 ZINC000039978281 205044648 /nfs/dbraw/zinc/04/46/48/205044648.db2.gz GFROKKWPAWZDAC-UHFFFAOYSA-N 0 0 379.457 4.970 50 0 GJAARN CC(C)(C)c1ccc(SCc2nc(CNC(=O)c3ccccc3)no2)cc1 ZINC000040060191 205049014 /nfs/dbraw/zinc/04/90/14/205049014.db2.gz QTQIOMAGAHUKJX-UHFFFAOYSA-N 0 0 381.501 4.589 50 0 GJAARN CCOc1ccccc1CN(C[C@@H](C)O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000040096095 205051604 /nfs/dbraw/zinc/05/16/04/205051604.db2.gz XOXDLDZFRMTZSM-CQSZACIVSA-N 0 0 396.409 4.519 50 0 GJAARN CCCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000040104460 205052372 /nfs/dbraw/zinc/05/23/72/205052372.db2.gz SQHKLERVSPDCLN-UHFFFAOYSA-N 0 0 377.444 4.976 50 0 GJAARN O=C(CCc1nc(Cc2ccccc2)no1)Nc1ccc(Cl)c(Cl)c1 ZINC000040107350 205053009 /nfs/dbraw/zinc/05/30/09/205053009.db2.gz HQEKYDMLXSRSIT-UHFFFAOYSA-N 0 0 376.243 4.539 50 0 GJAARN COCc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2c1OCOC2 ZINC000040150678 205057674 /nfs/dbraw/zinc/05/76/74/205057674.db2.gz KNXVQHRJVBEXII-UHFFFAOYSA-N 0 0 375.424 4.619 50 0 GJAARN O=C(NC1CC1)c1cc(NC(=O)N2CCC[C@@H]2C2CCCCC2)ccc1Cl ZINC000040151778 205058624 /nfs/dbraw/zinc/05/86/24/205058624.db2.gz RWONSUKVRURIFE-LJQANCHMSA-N 0 0 389.927 4.809 50 0 GJAARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccccc1 ZINC000040142947 205058849 /nfs/dbraw/zinc/05/88/49/205058849.db2.gz AUVYQKRZOYHCCB-UHFFFAOYSA-N 0 0 399.244 4.571 50 0 GJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(Cl)cc2)c(OC)c1 ZINC000040288565 205061189 /nfs/dbraw/zinc/06/11/89/205061189.db2.gz QOPNIRHUZOHIIL-HNNXBMFYSA-N 0 0 383.835 4.667 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)c1OC(C)C ZINC000040268969 205061710 /nfs/dbraw/zinc/06/17/10/205061710.db2.gz IRXMBMRNHPVBMP-KRWDZBQOSA-N 0 0 395.434 4.931 50 0 GJAARN CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000041157950 205078784 /nfs/dbraw/zinc/07/87/84/205078784.db2.gz DCWYIAKAHUQBSR-NRFANRHFSA-N 0 0 392.524 4.638 50 0 GJAARN CC(C)(C)c1nnc(SCc2nc3sc4c(c3c(N)n2)CCCCC4)o1 ZINC000042569524 205079392 /nfs/dbraw/zinc/07/93/92/205079392.db2.gz SMZNRAAZHYZGGP-UHFFFAOYSA-N 0 0 389.550 4.515 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1 ZINC000044086327 205084762 /nfs/dbraw/zinc/08/47/62/205084762.db2.gz NQPARTJARSWKCX-HXUWFJFHSA-N 0 0 392.459 4.894 50 0 GJAARN CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccco1 ZINC000043975620 205085172 /nfs/dbraw/zinc/08/51/72/205085172.db2.gz GLUDBIIOHBQPQR-UHFFFAOYSA-N 0 0 387.852 4.554 50 0 GJAARN Cc1cc(Br)oc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000044308677 205085507 /nfs/dbraw/zinc/08/55/07/205085507.db2.gz YJHMMQUKCWWHOY-LBPRGKRZSA-N 0 0 391.290 4.938 50 0 GJAARN CSc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 ZINC000044837321 205085929 /nfs/dbraw/zinc/08/59/29/205085929.db2.gz DIIINZCYJJCLLD-UHFFFAOYSA-N 0 0 388.290 4.813 50 0 GJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1noc(C(C)(C)C)n1 ZINC000045810307 205097203 /nfs/dbraw/zinc/09/72/03/205097203.db2.gz YQYGQLVJRDRHPP-UHFFFAOYSA-N 0 0 399.322 4.525 50 0 GJAARN CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 ZINC000041076963 205077374 /nfs/dbraw/zinc/07/73/74/205077374.db2.gz JVVUERYUBGPJHV-UHFFFAOYSA-N 0 0 383.879 4.872 50 0 GJAARN Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCc3ccccc32)c1C(F)(F)F ZINC000046179685 205107169 /nfs/dbraw/zinc/10/71/69/205107169.db2.gz QRKQUTUBOFRHKK-KRWDZBQOSA-N 0 0 385.389 4.617 50 0 GJAARN Cc1c(C(=O)N[C@H](c2ccccc2)c2ccccn2)oc2c1C(=O)CC(C)(C)C2 ZINC000047247965 205109128 /nfs/dbraw/zinc/10/91/28/205109128.db2.gz YTAFZXQMXJKUBU-OAQYLSRUSA-N 0 0 388.467 4.658 50 0 GJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1c(Cl)nc2ccccn21 ZINC000047250220 205109633 /nfs/dbraw/zinc/10/96/33/205109633.db2.gz ZWPZOXHRBRWHAN-MRXNPFEDSA-N 0 0 385.851 4.708 50 0 GJAARN O=C(NCc1cnc2ccccc2c1)c1ccccc1OCCOc1ccccc1 ZINC000048311326 205119021 /nfs/dbraw/zinc/11/90/21/205119021.db2.gz KZZXFLYXRXYEGF-UHFFFAOYSA-N 0 0 398.462 4.623 50 0 GJAARN Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000048340711 205120426 /nfs/dbraw/zinc/12/04/26/205120426.db2.gz REYUXYHHGOSWFV-SFHVURJKSA-N 0 0 378.447 4.525 50 0 GJAARN CCCn1cc(-c2nc(-c3ccc(OCC)cc3)no2)c(=O)c2cc(F)ccc21 ZINC000049001954 205124551 /nfs/dbraw/zinc/12/45/51/205124551.db2.gz NNAYGQDHBMBHHY-UHFFFAOYSA-N 0 0 393.418 4.666 50 0 GJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(SC)c1 ZINC000049005577 205124577 /nfs/dbraw/zinc/12/45/77/205124577.db2.gz WTOKIVNTDROSTG-UHFFFAOYSA-N 0 0 380.517 4.886 50 0 GJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1cccc(OCc2ccccn2)c1 ZINC000049549124 205127931 /nfs/dbraw/zinc/12/79/31/205127931.db2.gz WMBJAGOWRQUUGN-SFHVURJKSA-N 0 0 376.460 4.736 50 0 GJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1cccc(OCc2cccnc2)c1 ZINC000049544289 205128071 /nfs/dbraw/zinc/12/80/71/205128071.db2.gz LOHAPQBTUASNLS-GOSISDBHSA-N 0 0 376.460 4.736 50 0 GJAARN COc1cccc2c1ccn2CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000049543413 205128113 /nfs/dbraw/zinc/12/81/13/205128113.db2.gz PWSAWLJUJPHCDP-UHFFFAOYSA-N 0 0 395.890 4.534 50 0 biogenic GJAARN COc1nc2ccccc2nc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000045967107 205100784 /nfs/dbraw/zinc/10/07/84/205100784.db2.gz ZQZQSFNMNKINBU-UHFFFAOYSA-N 0 0 381.741 4.563 50 0 GJAARN Cc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1 ZINC000046022898 205101870 /nfs/dbraw/zinc/10/18/70/205101870.db2.gz GAARZPZUJDHDHC-UHFFFAOYSA-N 0 0 389.890 4.909 50 0 GJAARN Cc1nn(C)c2nc(OCc3nc(-c4cccc(Cl)c4)oc3C)cc(C)c12 ZINC000045995377 205102105 /nfs/dbraw/zinc/10/21/05/205102105.db2.gz KTIFNKCBEIPEJK-UHFFFAOYSA-N 0 0 382.851 4.781 50 0 GJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)cc5)n3n2)CCCC4)cc1 ZINC000046022986 205102149 /nfs/dbraw/zinc/10/21/49/205102149.db2.gz UJLBJSWNISPEKF-UHFFFAOYSA-N 0 0 387.462 4.785 50 0 GJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C(O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056475 205102574 /nfs/dbraw/zinc/10/25/74/205102574.db2.gz FGZGWFZTGYITAE-FQEVSTJZSA-N 0 0 387.483 4.723 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364555 205133360 /nfs/dbraw/zinc/13/33/60/205133360.db2.gz LYTOBKUUCWRZKY-MRXNPFEDSA-N 0 0 378.859 4.807 50 0 GJAARN CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000054011128 205140409 /nfs/dbraw/zinc/14/04/09/205140409.db2.gz GUMWVNRDIHAEFY-UHFFFAOYSA-N 0 0 388.265 4.663 50 0 GJAARN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 ZINC000056223652 205152568 /nfs/dbraw/zinc/15/25/68/205152568.db2.gz KTAWEMTWCVHYTG-PFUSGODGSA-N 0 0 395.446 4.809 50 0 GJAARN CN(Cc1ccc(Cl)cc1Cl)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057504073 205158311 /nfs/dbraw/zinc/15/83/11/205158311.db2.gz BIHPBTVITIJYJB-GOSISDBHSA-N 0 0 381.278 4.584 50 0 GJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](C(C)C)CC(=O)O4)c2=O)cc1 ZINC000085876214 205130967 /nfs/dbraw/zinc/13/09/67/205130967.db2.gz VSQQMYONTPPWHC-HNNXBMFYSA-N 0 0 394.423 4.526 50 0 biogenic GJAARN CC(C)Cn1ccc2cc(NC(=O)CCc3nc(-c4ccsc4)no3)ccc21 ZINC000062580369 205185910 /nfs/dbraw/zinc/18/59/10/205185910.db2.gz CZEOICXRJYOYQN-UHFFFAOYSA-N 0 0 394.500 4.980 50 0 GJAARN CCc1ccc2nc(-c3cnn(C(C)(C)C)c3)cc(C(=O)N3CCCC3)c2c1 ZINC000063857626 205186695 /nfs/dbraw/zinc/18/66/95/205186695.db2.gz QATGUNPZSMELQN-UHFFFAOYSA-N 0 0 376.504 4.652 50 0 GJAARN Cc1[nH]c(=S)sc1CC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000063691048 205186796 /nfs/dbraw/zinc/18/67/96/205186796.db2.gz OUTOYJUFZAPTLW-UHFFFAOYSA-N 0 0 380.538 4.752 50 0 GJAARN C[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Br)s1 ZINC000057681160 205160296 /nfs/dbraw/zinc/16/02/96/205160296.db2.gz NBQCABZLGXOBKN-LLVKDONJSA-N 0 0 377.307 4.695 50 0 GJAARN COCCCn1c(C)cc(C(=O)CSC2=Nc3ccccc3CS2)c1C ZINC000058018189 205162834 /nfs/dbraw/zinc/16/28/34/205162834.db2.gz JLXXYJBNKKKFBN-UHFFFAOYSA-N 0 0 388.558 4.992 50 0 GJAARN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)Sc4ccccc4)C3)nc2c1 ZINC000058196821 205169421 /nfs/dbraw/zinc/16/94/21/205169421.db2.gz WBUQSMIOXQUHEK-SJORKVTESA-N 0 0 379.529 4.758 50 0 GJAARN CC(C)n1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C(F)(F)F ZINC000058227591 205170583 /nfs/dbraw/zinc/17/05/83/205170583.db2.gz CKJGMGIRMSQZLA-UHFFFAOYSA-N 0 0 381.276 4.634 50 0 GJAARN Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc4c(c3)CCC4)cs2)c(C)c1 ZINC000058372216 205173141 /nfs/dbraw/zinc/17/31/41/205173141.db2.gz GHVMVRRNLUYFDF-UHFFFAOYSA-N 0 0 391.492 4.955 50 0 GJAARN C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1OCc1cscn1 ZINC000058356492 205173793 /nfs/dbraw/zinc/17/37/93/205173793.db2.gz VSIAAAGTRYNBAQ-INIZCTEOSA-N 0 0 381.501 4.865 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)NCc3cc(C)cc4c(C)c(C)[nH]c43)cs2)o1 ZINC000058421139 205174353 /nfs/dbraw/zinc/17/43/53/205174353.db2.gz RSKZVOJCJJZTBX-UHFFFAOYSA-N 0 0 393.512 4.977 50 0 GJAARN CCn1c2ccccc2c2cc(/C=C/C(=O)NCc3csc(C)n3)ccc21 ZINC000058492891 205175876 /nfs/dbraw/zinc/17/58/76/205175876.db2.gz REPVQTBHPMGQNP-PKNBQFBNSA-N 0 0 375.497 4.909 50 0 GJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000058482498 205176204 /nfs/dbraw/zinc/17/62/04/205176204.db2.gz BYOWETYAQMZHLF-UHFFFAOYSA-N 0 0 388.515 4.571 50 0 GJAARN O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(C(F)(F)F)cc1 ZINC000058951890 205179126 /nfs/dbraw/zinc/17/91/26/205179126.db2.gz PWIIBOJJKYVOBW-UHFFFAOYSA-N 0 0 386.373 4.609 50 0 GJAARN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000060208659 205180927 /nfs/dbraw/zinc/18/09/27/205180927.db2.gz OJMGJNLHTYHJDL-UHFFFAOYSA-N 0 0 395.331 4.789 50 0 GJAARN CCc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000064888003 205199823 /nfs/dbraw/zinc/19/98/23/205199823.db2.gz OEGVYIATZVVMOD-UHFFFAOYSA-N 0 0 397.522 4.814 50 0 GJAARN Cc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949587 205201928 /nfs/dbraw/zinc/20/19/28/205201928.db2.gz NVGJVOUQDFXDAV-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN COc1ccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc1OC ZINC000065032291 205207612 /nfs/dbraw/zinc/20/76/12/205207612.db2.gz MCBMHZFTTLNWMG-UHFFFAOYSA-N 0 0 379.441 4.853 50 0 GJAARN Cc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)c(C)c2)c(Cl)c1 ZINC000065084741 205209604 /nfs/dbraw/zinc/20/96/04/205209604.db2.gz QYXRTZKSPBYFJU-UHFFFAOYSA-N 0 0 380.875 4.936 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3c(C)cccc3C)s2)cc1 ZINC000065085251 205209686 /nfs/dbraw/zinc/20/96/86/205209686.db2.gz JTJIJCFTVWKWIU-UHFFFAOYSA-N 0 0 385.510 4.758 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000065085321 205210104 /nfs/dbraw/zinc/21/01/04/205210104.db2.gz LVZVPDDBTYQZMG-UHFFFAOYSA-N 0 0 385.510 4.758 50 0 GJAARN Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)cc1 ZINC000065095736 205210383 /nfs/dbraw/zinc/21/03/83/205210383.db2.gz FEXXQTOTMWBVEG-UHFFFAOYSA-N 0 0 383.455 4.507 50 0 GJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1F ZINC000065114697 205210414 /nfs/dbraw/zinc/21/04/14/205210414.db2.gz XHODMZCSUSQDMH-UHFFFAOYSA-N 0 0 386.858 4.956 50 0 GJAARN Cc1cccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c32)c1 ZINC000065113694 205210984 /nfs/dbraw/zinc/21/09/84/205210984.db2.gz RRETWMBNWAMGHZ-UHFFFAOYSA-N 0 0 392.459 4.803 50 0 GJAARN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135264 205211368 /nfs/dbraw/zinc/21/13/68/205211368.db2.gz WZDSLTIDSNVGIG-QGZVFWFLSA-N 0 0 395.865 4.956 50 0 GJAARN CC(C)c1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000065118544 205212061 /nfs/dbraw/zinc/21/20/61/205212061.db2.gz VHQMMPYDTUSMSN-UHFFFAOYSA-N 0 0 377.872 4.780 50 0 GJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCCCC1 ZINC000065136922 205213518 /nfs/dbraw/zinc/21/35/18/205213518.db2.gz GOAQPHIKWWXDIR-KRWDZBQOSA-N 0 0 391.943 4.767 50 0 GJAARN Cc1cc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)ccc1F ZINC000065165239 205214466 /nfs/dbraw/zinc/21/44/66/205214466.db2.gz WQAKLEVHTGQALA-UHFFFAOYSA-N 0 0 382.464 4.505 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1nc2cc(C)c(C)cc2nc1OC(C)C ZINC000064439007 205190310 /nfs/dbraw/zinc/19/03/10/205190310.db2.gz IFLNGFWGHUJEQG-UHFFFAOYSA-N 0 0 379.460 4.603 50 0 GJAARN CC[C@H]1Cn2c(C(=O)NCCc3ccc(C)cc3)cc3c2c(ccc3Cl)O1 ZINC000064658033 205191459 /nfs/dbraw/zinc/19/14/59/205191459.db2.gz PIRKPVRGWZMRSG-INIZCTEOSA-N 0 0 382.891 4.747 50 0 GJAARN CC[C@H]1Cn2c(C(=O)NC[C@@H](C)c3ccccc3)cc3c2c(ccc3Cl)O1 ZINC000064658052 205192732 /nfs/dbraw/zinc/19/27/32/205192732.db2.gz HFRZHXFTSYAYRJ-ZBFHGGJFSA-N 0 0 382.891 4.999 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747718 205193476 /nfs/dbraw/zinc/19/34/76/205193476.db2.gz RICQFDJNLUTDCB-GOSISDBHSA-N 0 0 398.413 4.946 50 0 GJAARN CCCn1cnc2cc(CNC(=O)Cc3c(Cl)cccc3Cl)ccc21 ZINC000064755053 205194132 /nfs/dbraw/zinc/19/41/32/205194132.db2.gz WPKYMRSOHBTKLQ-UHFFFAOYSA-N 0 0 376.287 4.612 50 0 GJAARN Cc1sc(C)c(S(=O)(=O)Nc2ccc(C)cc2Cl)c1-c1ccno1 ZINC000064845106 205197948 /nfs/dbraw/zinc/19/79/48/205197948.db2.gz BVRYUGJQPLWILB-UHFFFAOYSA-N 0 0 382.894 4.783 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3cccc(F)c3)CC1)N2 ZINC000064858644 205198547 /nfs/dbraw/zinc/19/85/47/205198547.db2.gz HGDFGHQPMIAFQF-UHFFFAOYSA-N 0 0 389.474 4.790 50 0 biogenic GJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c(C)c1 ZINC000065364111 205232317 /nfs/dbraw/zinc/23/23/17/205232317.db2.gz KJAMUDNFPGYOHT-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN Cc1ccc(-c2nc(N[C@@H](C)c3nccs3)ncc2-c2ccc(N)nc2)cc1 ZINC000065396797 205233720 /nfs/dbraw/zinc/23/37/20/205233720.db2.gz YCJVBCCCFVCLNR-AWEZNQCLSA-N 0 0 388.500 4.726 50 0 GJAARN Cc1cc(Cn2cnc(-c3ccccc3)c2-c2cccc(-n3cccn3)c2)no1 ZINC000065385075 205233760 /nfs/dbraw/zinc/23/37/60/205233760.db2.gz FBQQEMZTFGXMEF-UHFFFAOYSA-N 0 0 381.439 4.748 50 0 GJAARN c1nc(-c2c(-c3ccccc3)ncn2CCc2nccc(-c3ccccc3)n2)c[nH]1 ZINC000065430678 205235255 /nfs/dbraw/zinc/23/52/55/205235255.db2.gz UUXWDOQJFVBGLH-UHFFFAOYSA-N 0 0 392.466 4.640 50 0 GJAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000065569413 205237732 /nfs/dbraw/zinc/23/77/32/205237732.db2.gz HQIVXHCVSVALLT-UHFFFAOYSA-N 0 0 399.903 4.663 50 0 GJAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3-n3ccnc3)cc12 ZINC000065551894 205237834 /nfs/dbraw/zinc/23/78/34/205237834.db2.gz HGMCAOQWLXZQHW-UHFFFAOYSA-N 0 0 379.489 4.500 50 0 GJAARN Cc1nc(NC(=O)C2=NO[C@H](c3ccccc3)C2)sc1Cc1ccccc1F ZINC000065647246 205239099 /nfs/dbraw/zinc/23/90/99/205239099.db2.gz NKSFBPXTCGXYSK-SFHVURJKSA-N 0 0 395.459 4.638 50 0 GJAARN Cc1ccc(C)c(Cn2ccn3nc(-c4cccc5ccccc54)cc3c2=O)c1 ZINC000067260728 205244164 /nfs/dbraw/zinc/24/41/64/205244164.db2.gz LYPGJRYUQOPPNB-UHFFFAOYSA-N 0 0 379.463 4.981 50 0 GJAARN COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000065218781 205219070 /nfs/dbraw/zinc/21/90/70/205219070.db2.gz HGRBBJBUIWOKHU-UHFFFAOYSA-N 0 0 391.452 4.655 50 0 GJAARN O=C(Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1)c1cccc(F)c1 ZINC000065219129 205219111 /nfs/dbraw/zinc/21/91/11/205219111.db2.gz XHHNBXYUWOIKJF-UHFFFAOYSA-N 0 0 383.379 4.996 50 0 GJAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000065218802 205220087 /nfs/dbraw/zinc/22/00/87/205220087.db2.gz LFFZKOKDTKBMKA-UHFFFAOYSA-N 0 0 377.425 4.726 50 0 GJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)Nc1ccc(C)c(F)c1 ZINC000065240834 205220635 /nfs/dbraw/zinc/22/06/35/205220635.db2.gz YFUQDWCMWZWVKE-UHFFFAOYSA-N 0 0 380.448 4.705 50 0 GJAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CCC(C)CC1 ZINC000065240946 205221419 /nfs/dbraw/zinc/22/14/19/205221419.db2.gz CSIFMCFSHPTSOE-UHFFFAOYSA-N 0 0 382.533 4.921 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)NCc3cccc(F)c3)s2)c2cccnc21 ZINC000065240900 205221464 /nfs/dbraw/zinc/22/14/64/205221464.db2.gz PGKUWRSNKYHDGI-UHFFFAOYSA-N 0 0 394.475 4.557 50 0 GJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc4ccccc4o3)nc2)C1 ZINC000067605986 205249834 /nfs/dbraw/zinc/24/98/34/205249834.db2.gz LMECVLYJUBBLSD-LJQANCHMSA-N 0 0 390.483 4.962 50 0 GJAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000067643581 205252295 /nfs/dbraw/zinc/25/22/95/205252295.db2.gz OIRJZVGXEZSWGN-QHCPKHFHSA-N 0 0 384.483 4.698 50 0 GJAARN CC(C)n1cc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cn1 ZINC000067755388 205259199 /nfs/dbraw/zinc/25/91/99/205259199.db2.gz LVFCBTVZVJDYRL-UHFFFAOYSA-N 0 0 397.906 4.885 50 0 GJAARN Cc1nc2ccccn2c1CN(C)Cc1nc(-c2cccc(Cl)c2)oc1C ZINC000067757896 205259512 /nfs/dbraw/zinc/25/95/12/205259512.db2.gz OKGLQYYZMDFXHC-UHFFFAOYSA-N 0 0 380.879 4.892 50 0 GJAARN O=C(c1cccc2cccnc21)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000067789674 205260152 /nfs/dbraw/zinc/26/01/52/205260152.db2.gz KEVPUJAOYMRJTP-IBGZPJMESA-N 0 0 382.467 4.645 50 0 GJAARN O=C(c1cc(Cl)ccc1Cl)N1CCC(CSC2=NCCS2)CC1 ZINC000090608305 205274816 /nfs/dbraw/zinc/27/48/16/205274816.db2.gz PAJRCJIRRNAJOF-UHFFFAOYSA-N 0 0 389.373 4.682 50 0 GJAARN Cn1cc(-c2cccs2)nc1CCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090606983 205273324 /nfs/dbraw/zinc/27/33/24/205273324.db2.gz VLWVIFKXHQDOLX-UHFFFAOYSA-N 0 0 394.422 4.532 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)COc1ccc(F)cc1 ZINC000090593130 205274020 /nfs/dbraw/zinc/27/40/20/205274020.db2.gz HDTYKSCPEYJPOR-UHFFFAOYSA-N 0 0 390.867 4.606 50 0 GJAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3OC)s2)ccn1 ZINC000071285208 205281109 /nfs/dbraw/zinc/28/11/09/205281109.db2.gz XHXIIHVRHZSFIH-UHFFFAOYSA-N 0 0 397.500 4.736 50 0 GJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)Cc1ccncn1 ZINC000071681351 205287494 /nfs/dbraw/zinc/28/74/94/205287494.db2.gz INOSEUSZBXYTDX-UHFFFAOYSA-N 0 0 386.455 4.864 50 0 GJAARN COc1cc(C2(C(=O)N3CCC(Nc4ccccc4Cl)CC3)CC2)ccc1C ZINC000069930464 205277269 /nfs/dbraw/zinc/27/72/69/205277269.db2.gz QEKUGLYRCLAIAN-UHFFFAOYSA-N 0 0 398.934 4.792 50 0 GJAARN COc1ccc2nc(C)c(C(=O)N3CCC[C@H]3Cc3cccc(F)c3)cc2c1 ZINC000070005234 205278095 /nfs/dbraw/zinc/27/80/95/205278095.db2.gz NBFOYLHMIFUTFN-IBGZPJMESA-N 0 0 378.447 4.538 50 0 GJAARN O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccc(F)c(F)c1)CC(=O)N2 ZINC000071279899 205280108 /nfs/dbraw/zinc/28/01/08/205280108.db2.gz AIRNTNDLMZPUKR-CQSZACIVSA-N 0 0 375.419 4.864 50 0 GJAARN COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2c(C)cc(F)cc12 ZINC000072329520 205326440 /nfs/dbraw/zinc/32/64/40/205326440.db2.gz YPZNDDUKYYSLJL-UHFFFAOYSA-N 0 0 392.352 4.640 50 0 GJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)cc1 ZINC000072139285 205309068 /nfs/dbraw/zinc/30/90/68/205309068.db2.gz IQKXCXWPOQUCKC-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1cc(OC)cc(OC)c1 ZINC000072277177 205320288 /nfs/dbraw/zinc/32/02/88/205320288.db2.gz CWDLPINWOZZHBI-GOTSBHOMSA-N 0 0 381.516 4.821 50 0 GJAARN Clc1ccc(CN2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000072440768 205352675 /nfs/dbraw/zinc/35/26/75/205352675.db2.gz SXGNZWYUTFJDJU-IBGZPJMESA-N 0 0 376.953 4.571 50 0 GJAARN O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072459213 205352967 /nfs/dbraw/zinc/35/29/67/205352967.db2.gz BXBAFFDNAJENCC-CQSZACIVSA-N 0 0 380.498 4.725 50 0 GJAARN O=C(Nc1ccccc1F)NC1(c2nc(-c3ccccc3)no2)CCCCC1 ZINC000077197413 205357812 /nfs/dbraw/zinc/35/78/12/205357812.db2.gz KZHDHZSKMBMCFT-UHFFFAOYSA-N 0 0 380.423 4.857 50 0 GJAARN CC(C)c1cc(C(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000077353906 205359362 /nfs/dbraw/zinc/35/93/62/205359362.db2.gz HDWQXPXYLUVNNC-UHFFFAOYSA-N 0 0 382.382 4.500 50 0 GJAARN 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Cc1nc2sc([C@H](c3ccccc3Cl)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000022626510 211775010 /nfs/dbraw/zinc/77/50/10/211775010.db2.gz DMOMWXGJLHUGAR-HSMVNMDESA-N 0 0 390.940 4.526 50 0 GJAARN Cn1cc([C@@H](CC(=O)NCc2ccncc2)c2ccccc2F)c2ccccc21 ZINC000096276716 205554686 /nfs/dbraw/zinc/55/46/86/205554686.db2.gz DFLJONJHTVJTLY-FQEVSTJZSA-N 0 0 387.458 4.551 50 0 GJAARN CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096290790 205558032 /nfs/dbraw/zinc/55/80/32/205558032.db2.gz WHHAZPSRMZSIRU-FOIQADDNSA-N 0 0 381.451 4.630 50 0 GJAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(-c2ccc(F)cc2)o1 ZINC000022289744 211759652 /nfs/dbraw/zinc/75/96/52/211759652.db2.gz TXPIHLGJGZEJQL-UHFFFAOYSA-N 0 0 385.464 4.780 50 0 GJAARN Cc1csc(C2=C(N)N(CC(c3ccccc3)c3ccccc3)CC2=O)n1 ZINC000102733838 205633501 /nfs/dbraw/zinc/63/35/01/205633501.db2.gz DBSYKBHSXOCMEG-UHFFFAOYSA-N 0 0 375.497 4.846 50 0 GJAARN O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000047476698 205663727 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COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)c1 ZINC000004353849 205747057 /nfs/dbraw/zinc/74/70/57/205747057.db2.gz DNABZXLHEREMMX-UHFFFAOYSA-N 0 0 396.443 4.687 50 0 GJAARN COc1ccc(-n2nnnc2C2(Nc3cccc(Cl)c3)CCCCC2)cc1 ZINC000004568301 205748709 /nfs/dbraw/zinc/74/87/09/205748709.db2.gz ZOVPHQGZNBPPMN-UHFFFAOYSA-N 0 0 383.883 4.596 50 0 GJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3F)c(Cl)c12 ZINC000004941117 205757124 /nfs/dbraw/zinc/75/71/24/205757124.db2.gz OTTVAPJGYAEGMN-UHFFFAOYSA-N 0 0 398.800 4.913 50 0 GJAARN COc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(OC)c1 ZINC000006789353 205783008 /nfs/dbraw/zinc/78/30/08/205783008.db2.gz NBKZHIYNZNXXMF-UHFFFAOYSA-N 0 0 388.876 4.662 50 0 GJAARN CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccncc1 ZINC000005271344 205765171 /nfs/dbraw/zinc/76/51/71/205765171.db2.gz VOHZJNVEQRDMGY-CQSZACIVSA-N 0 0 391.500 4.513 50 0 GJAARN Cc1ccccc1-c1nc(C(=O)NC[C@@H]2CCCO2)cc2c3ccccc3[nH]c21 ZINC000006090657 205772801 /nfs/dbraw/zinc/77/28/01/205772801.db2.gz 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CCCCCCn1c(=S)n(CN2CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000025140131 205979308 /nfs/dbraw/zinc/97/93/08/205979308.db2.gz RNBVCAHOGJZXRS-UHFFFAOYSA-N 0 0 394.972 4.604 50 0 GJAARN Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000023142455 205973906 /nfs/dbraw/zinc/97/39/06/205973906.db2.gz OSMHEJRKCIDXCX-AWEZNQCLSA-N 0 0 382.287 4.573 50 0 GJAARN O=C(Cc1ccc(OC(F)F)cc1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000025322557 205981460 /nfs/dbraw/zinc/98/14/60/205981460.db2.gz BYRAWCRGQSFYET-UHFFFAOYSA-N 0 0 378.375 4.732 50 0 GJAARN CCOc1ccccc1NC(=O)c1ccc(COc2ccc(C(C)=O)cc2)o1 ZINC000028237258 206039619 /nfs/dbraw/zinc/03/96/19/206039619.db2.gz PRGQNMRYKMSRBI-UHFFFAOYSA-N 0 0 379.412 4.712 50 0 GJAARN C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1cccnc1Cl ZINC000028368303 206042985 /nfs/dbraw/zinc/04/29/85/206042985.db2.gz VNTODZMJVLVUGB-CYBMUJFWSA-N 0 0 387.867 4.606 50 0 GJAARN CC(C)n1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2c1=O ZINC000014824715 211706063 /nfs/dbraw/zinc/70/60/63/211706063.db2.gz 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206090762 /nfs/dbraw/zinc/09/07/62/206090762.db2.gz ZIFUWYOIXMJPLK-PKOBYXMFSA-N 0 0 375.468 4.889 50 0 GJAARN COC(=O)c1cc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)oc1C ZINC000032910153 206097085 /nfs/dbraw/zinc/09/70/85/206097085.db2.gz HANHNLGJTPGFTQ-UHFFFAOYSA-N 0 0 389.502 4.879 50 0 GJAARN COc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000033405930 206098492 /nfs/dbraw/zinc/09/84/92/206098492.db2.gz ZEMMQYOCCVLRSG-SXGWCWSVSA-N 0 0 384.435 4.573 50 0 GJAARN O=c1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)coc2ccccc12 ZINC000033767578 206100148 /nfs/dbraw/zinc/10/01/48/206100148.db2.gz QVIQSLYZHSXRLF-CCEZHUSRSA-N 0 0 392.414 4.663 50 0 GJAARN CC(C)(CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000058968789 206101913 /nfs/dbraw/zinc/10/19/13/206101913.db2.gz LSUQMJQWWHSWAQ-UHFFFAOYSA-N 0 0 390.296 4.714 50 0 GJAARN COc1ccc(C=C2CCCC3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000061912090 206104375 /nfs/dbraw/zinc/10/43/75/206104375.db2.gz LWRQTWWJJNMEKW-JIHAQRTOSA-N 0 0 392.524 4.744 50 0 GJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)c(F)c5)n3n2)CCC4)cc1 ZINC000064450036 206105646 /nfs/dbraw/zinc/10/56/46/206105646.db2.gz SQLDBDXYQFVPFJ-UHFFFAOYSA-N 0 0 391.425 4.534 50 0 GJAARN CN1/C(=C\C(=O)Nc2ccccc2Br)c2ccccc2CC1(C)C ZINC000032609491 206091071 /nfs/dbraw/zinc/09/10/71/206091071.db2.gz ZFGJCWXSTXGGKM-PDGQHHTCSA-N 0 0 385.305 4.695 50 0 GJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1(c2ccccc2)CCOCC1 ZINC000032663413 206091242 /nfs/dbraw/zinc/09/12/42/206091242.db2.gz YCPVPWGRXNSARG-UHFFFAOYSA-N 0 0 381.806 4.628 50 0 GJAARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@@H]2O)cn1 ZINC000226440971 206093539 /nfs/dbraw/zinc/09/35/39/206093539.db2.gz OYOBEWYVPOOXAW-ALRGKEJSSA-N 0 0 378.516 4.519 50 0 GJAARN C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)o1 ZINC000229675110 206108719 /nfs/dbraw/zinc/10/87/19/206108719.db2.gz OWZMHOVTYYKDAE-BVZALQNUSA-N 0 0 394.540 4.802 50 0 GJAARN O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CCOCC1 ZINC000096120241 206118870 /nfs/dbraw/zinc/11/88/70/206118870.db2.gz OBVLHEFEISEDJR-UHFFFAOYSA-N 0 0 397.462 4.564 50 0 GJAARN O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccccc1-c1ccsc1 ZINC000096122922 206119778 /nfs/dbraw/zinc/11/97/78/206119778.db2.gz MFOZZNJPDNVTJJ-UHFFFAOYSA-N 0 0 391.471 4.734 50 0 GJAARN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCc1c(OCc3ccccc3)cccc1O2 ZINC000096319636 206121393 /nfs/dbraw/zinc/12/13/93/206121393.db2.gz SPHYFRKZMYGMLC-DEOSSOPVSA-N 0 0 395.499 4.970 50 0 GJAARN CCC(=O)Nc1ccc(C)c(NCc2cc(Br)ccc2OC)c1 ZINC000097393531 206124397 /nfs/dbraw/zinc/12/43/97/206124397.db2.gz NXNYVWVNYMPAKO-UHFFFAOYSA-N 0 0 377.282 4.727 50 0 GJAARN CCN(CC)C(=O)c1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000252483187 206139016 /nfs/dbraw/zinc/13/90/16/206139016.db2.gz DWWOIMHLSUTIGK-UHFFFAOYSA-N 0 0 387.892 4.684 50 0 GJAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2)cc1 ZINC000252506066 206142658 /nfs/dbraw/zinc/14/26/58/206142658.db2.gz VXPAXUYPHDNKBM-QGZVFWFLSA-N 0 0 385.851 4.526 50 0 GJAARN CC(C)[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1nc2ccccc2n1C ZINC000252537671 206143061 /nfs/dbraw/zinc/14/30/61/206143061.db2.gz MAILTBNZYBVMKV-HSZRJFAPSA-N 0 0 388.515 4.511 50 0 GJAARN COC1=CC2=CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000257358150 206182758 /nfs/dbraw/zinc/18/27/58/206182758.db2.gz RXOKKASEHMRJLZ-XIOQGWQRSA-N 0 0 386.532 4.980 50 0 GJAARN O=C(NCCc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1 ZINC000263639818 206184637 /nfs/dbraw/zinc/18/46/37/206184637.db2.gz KJAKRNLDSRZSAA-UHFFFAOYSA-N 0 0 378.181 4.771 50 0 GJAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000299769752 206187513 /nfs/dbraw/zinc/18/75/13/206187513.db2.gz UJNFDIIDVIBLHJ-KRWDZBQOSA-N 0 0 376.504 4.593 50 0 GJAARN COc1ccccc1NC(=O)c1cc(C(C)C)n(-c2nc3ccccc3s2)n1 ZINC000012223563 211678084 /nfs/dbraw/zinc/67/80/84/211678084.db2.gz KMMUFEHPQSRLOR-UHFFFAOYSA-N 0 0 392.484 4.866 50 0 GJAARN Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1 ZINC000011693798 211674849 /nfs/dbraw/zinc/67/48/49/211674849.db2.gz NSBCOMQLQPYQDZ-UHFFFAOYSA-N 0 0 384.461 4.757 50 0 GJAARN COc1ccc(-c2cc(=O)[nH]c(Nc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000253537466 206210842 /nfs/dbraw/zinc/21/08/42/206210842.db2.gz BASFIJTVSWHLHS-UHFFFAOYSA-N 0 0 376.441 4.725 50 0 GJAARN Cc1ccc2[nH]c(SCC(=O)Nc3nc4cc(Cl)ccc4s3)nc2c1 ZINC000045068068 206195499 /nfs/dbraw/zinc/19/54/99/206195499.db2.gz GKHAKZXJPUQRTP-UHFFFAOYSA-N 0 0 388.905 4.865 50 0 GJAARN Cc1cc2c(c(SCc3ccccc3F)n1)C(=O)N(c1ccccc1C)C2=O ZINC000001405634 206212870 /nfs/dbraw/zinc/21/28/70/206212870.db2.gz LOXONVAIFAOHFK-UHFFFAOYSA-N 0 0 392.455 4.930 50 0 GJAARN CCCCOc1ccc(OCCn2c(C)c(C(=O)OC)c3cc(O)ccc32)cc1 ZINC000004614943 206214594 /nfs/dbraw/zinc/21/45/94/206214594.db2.gz UYEWQRZYDBDMDF-UHFFFAOYSA-N 0 0 397.471 4.700 50 0 GJAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3cccc4cccnc43)c2n1 ZINC000005274218 206216813 /nfs/dbraw/zinc/21/68/13/206216813.db2.gz FZFNGPOVLCKAIC-UHFFFAOYSA-N 0 0 394.478 4.785 50 0 GJAARN Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000170631696 211665355 /nfs/dbraw/zinc/66/53/55/211665355.db2.gz CJCSTTPJIXATKB-UNMCSNQZSA-N 0 0 392.455 4.585 50 0 GJAARN Cc1ccn2cc(C(=O)N(CCc3cccs3)Cc3cccs3)nc2c1 ZINC000008216139 211593669 /nfs/dbraw/zinc/59/36/69/211593669.db2.gz LBFXUNPLBZQVAK-UHFFFAOYSA-N 0 0 381.526 4.651 50 0 GJAARN Cc1ccccc1-c1nc(C(=O)NC[C@H]2CCCO2)cc2c3ccccc3[nH]c21 ZINC000006090661 211574350 /nfs/dbraw/zinc/57/43/50/211574350.db2.gz RUSUXRPGRDIYCP-MRXNPFEDSA-N 0 0 385.467 4.600 50 0 biogenic GJAARN Cc1cccn2cc(CSc3nc4ccccc4c(=O)n3C3CCCC3)nc12 ZINC000005982313 211572350 /nfs/dbraw/zinc/57/23/50/211572350.db2.gz QMFXGCRRWGOACV-UHFFFAOYSA-N 0 0 390.512 4.760 50 0 GJAARN COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000006614355 211577938 /nfs/dbraw/zinc/57/79/38/211577938.db2.gz VGVQKVUMSKPNJG-VCLWAVCTSA-N 0 0 390.483 4.847 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1c(=O)c2cc(C)c(C)cc2oc1-c1ccc(C)cc1 ZINC000005557078 211569443 /nfs/dbraw/zinc/56/94/43/211569443.db2.gz MBLHCRBGBMCZRT-MRXNPFEDSA-N 0 0 380.440 4.716 50 0 GJAARN Cc1oc2cc3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1 ZINC000004089673 211532501 /nfs/dbraw/zinc/53/25/01/211532501.db2.gz OBMJNNRMJLRBTI-UHFFFAOYSA-N 0 0 387.435 4.644 50 0 biogenic GJAARN CCCN(C(=O)C(=O)c1c(C)n(C)c2ccccc21)c1ccc(OCC)cc1 ZINC000004062762 211529676 /nfs/dbraw/zinc/52/96/76/211529676.db2.gz ZECPGEGVMHMJMR-UHFFFAOYSA-N 0 0 378.472 4.511 50 0 GJAARN O=C(OCc1cc(Cl)ccc1OC(F)F)c1ccc(Br)o1 ZINC000003236076 211520021 /nfs/dbraw/zinc/52/00/21/211520021.db2.gz ANAJKQKEXQZUBG-UHFFFAOYSA-N 0 0 381.556 4.654 50 0 GJAARN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 ZINC000002917627 211518231 /nfs/dbraw/zinc/51/82/31/211518231.db2.gz ANYUVTCTLKSNBQ-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN COc1ccc(NC(=O)NCCCSc2ccccc2)cc1OC(F)F ZINC000043994321 211448925 /nfs/dbraw/zinc/44/89/25/211448925.db2.gz HTOMEOYAOUFPIL-UHFFFAOYSA-N 0 0 382.432 4.601 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 ZINC000098212180 211379691 /nfs/dbraw/zinc/37/96/91/211379691.db2.gz SGJBRODRSISASF-MRXNPFEDSA-N 0 0 389.789 4.646 50 0 GJAARN CCc1oc2ccccc2c1/C=C\C(=O)NCc1ccccc1Cn1ccnc1 ZINC000098002131 211375743 /nfs/dbraw/zinc/37/57/43/211375743.db2.gz OIPGIRPKLSIDJA-QXMHVHEDSA-N 0 0 385.467 4.570 50 0 GJAARN Cc1cn2c(/C=C\C(=O)N3CCCCC[C@H]3c3cccn3C)c(C)nc2s1 ZINC000098004109 211375378 /nfs/dbraw/zinc/37/53/78/211375378.db2.gz AMBQSOUVSHVEKH-GDWUOILNSA-N 0 0 382.533 4.508 50 0 GJAARN COC[C@H](C)N(Cc1ccc(SC)cc1)C(=O)Nc1c(F)cccc1F ZINC000097675403 211371046 /nfs/dbraw/zinc/37/10/46/211371046.db2.gz JQEYEDPSPGIIOE-ZDUSSCGKSA-N 0 0 380.460 4.756 50 0 GJAARN COc1cc([C@@H](C)NC(=O)/C=C\c2nc3ccccc3o2)ccc1OCC(C)C ZINC000097053512 211356222 /nfs/dbraw/zinc/35/62/22/211356222.db2.gz AIVWRPUIFSXQCR-YUQCYMQKSA-N 0 0 394.471 4.762 50 0 GJAARN COc1cc(NCc2csc(-c3ccc(F)cc3)n2)ncc1Br ZINC000097022675 211354915 /nfs/dbraw/zinc/35/49/15/211354915.db2.gz KMORLPKRNXOWNJ-UHFFFAOYSA-N 0 0 394.269 4.727 50 0 GJAARN Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1ccccc1OC(F)F ZINC000097001791 211354419 /nfs/dbraw/zinc/35/44/19/211354419.db2.gz YDJARIAYSLLPDM-UHFFFAOYSA-N 0 0 383.398 4.912 50 0 GJAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000096996574 211354136 /nfs/dbraw/zinc/35/41/36/211354136.db2.gz USQWZABXWJHLHL-STKCSNAVSA-N 0 0 399.556 4.620 50 0 GJAARN COc1cccc(/C=C\C(=O)N(Cc2ccco2)c2ccc(C)cc2)c1OC ZINC000096859837 211349297 /nfs/dbraw/zinc/34/92/97/211349297.db2.gz DAPHOAMEVBXVGJ-KAMYIIQDSA-N 0 0 377.440 4.852 50 0 GJAARN O=C(/C=C\c1ccc(Cl)c(Cl)c1)O[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000096887811 211348981 /nfs/dbraw/zinc/34/89/81/211348981.db2.gz JXRBPBZVCODIBS-KOTDBNOLSA-N 0 0 390.266 4.570 50 0 GJAARN COCCN(Cc1cccn1Cc1cccc(C)c1)Cc1cc(F)ccc1F ZINC000096791858 211346316 /nfs/dbraw/zinc/34/63/16/211346316.db2.gz YKXZNSZTYYMSDK-UHFFFAOYSA-N 0 0 384.470 4.772 50 0 GJAARN CCOc1cc(/C=C\C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC(C)C ZINC000096571296 211345789 /nfs/dbraw/zinc/34/57/89/211345789.db2.gz WPAFFPRFFXHEIQ-BENRWUELSA-N 0 0 396.487 4.730 50 0 GJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)c2cccc(F)c2)cc1OCC ZINC000096398999 211340843 /nfs/dbraw/zinc/34/08/43/211340843.db2.gz PTHROEIPKHEJMV-UHFFFAOYSA-N 0 0 383.423 4.574 50 0 GJAARN CCn1c(-c2cc(NC(=O)CCc3ccccc3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398588 211341792 /nfs/dbraw/zinc/34/17/92/211341792.db2.gz FIFJYCGFGCRIEE-UHFFFAOYSA-N 0 0 388.471 4.631 50 0 GJAARN CCn1c(-c2cc(NC(=O)[C@H](C)c3ccccc3)n[nH]2)cc2c1cccc2OC ZINC000096398633 211341118 /nfs/dbraw/zinc/34/11/18/211341118.db2.gz OLTCTABFZGKNSO-OAHLLOKOSA-N 0 0 388.471 4.802 50 0 GJAARN O=C(CCCc1cc(Cl)sc1Cl)N1CCC([C@H]2CCCO2)CC1 ZINC000097104278 211357251 /nfs/dbraw/zinc/35/72/51/211357251.db2.gz FKLDVNRWJNLDNY-CQSZACIVSA-N 0 0 376.349 4.795 50 0 GJAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096278678 211329710 /nfs/dbraw/zinc/32/97/10/211329710.db2.gz VSRZFZJNRYPAGJ-HNAYVOBHSA-N 0 0 379.460 4.571 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)c1cccc(F)c1 ZINC000096276999 211329863 /nfs/dbraw/zinc/32/98/63/211329863.db2.gz SWDDXHSNRXDCGC-HXUWFJFHSA-N 0 0 387.414 4.590 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2cccc(OC)c2)no1 ZINC000096277931 211329683 /nfs/dbraw/zinc/32/96/83/211329683.db2.gz YGBHICAUEDKHSF-ACJLOTCBSA-N 0 0 399.878 4.916 50 0 GJAARN Cc1cccc(C)c1NC(=O)N1CC[C@H](c2nc3ccncc3n2CC(C)C)C1 ZINC000096125395 211305100 /nfs/dbraw/zinc/30/51/00/211305100.db2.gz RSSWSQYMAIYCIR-SFHVURJKSA-N 0 0 391.519 4.726 50 0 GJAARN CC(C)(CC1CCOCC1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000095991715 211293427 /nfs/dbraw/zinc/29/34/27/211293427.db2.gz XNCXQVFUDMBGSH-UHFFFAOYSA-N 0 0 379.460 4.671 50 0 GJAARN Cc1sc(NC(=O)c2cnn(C3CCOCC3)c2C)nc1-c1ccc(C)cc1 ZINC000095980810 211290795 /nfs/dbraw/zinc/29/07/95/211290795.db2.gz NHLKHIRLMCJNNR-UHFFFAOYSA-N 0 0 396.516 4.536 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1C ZINC000095963017 211289044 /nfs/dbraw/zinc/28/90/44/211289044.db2.gz BCYQAFBTMLVKPT-UHFFFAOYSA-N 0 0 397.862 4.714 50 0 GJAARN O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1ncoc1-c1ccco1 ZINC000095963015 211289165 /nfs/dbraw/zinc/28/91/65/211289165.db2.gz FSICXINJWIZQKH-UHFFFAOYSA-N 0 0 395.802 4.814 50 0 GJAARN Cc1sc(NC(=O)c2ncoc2[C@@H]2CCCO2)nc1-c1ccc2c(c1)CCC2 ZINC000095962515 211289223 /nfs/dbraw/zinc/28/92/23/211289223.db2.gz FJAXRWWBUNCNAY-INIZCTEOSA-N 0 0 395.484 4.699 50 0 GJAARN COc1cc(C)c(NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1OC ZINC000095959324 211288232 /nfs/dbraw/zinc/28/82/32/211288232.db2.gz VOQVZTQFWLHTOE-UHFFFAOYSA-N 0 0 395.415 4.502 50 0 GJAARN O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1ccccc1F ZINC000095945873 211286130 /nfs/dbraw/zinc/28/61/30/211286130.db2.gz QDZOJXMIWYIXSS-UHFFFAOYSA-N 0 0 393.805 4.635 50 0 GJAARN O=C(Nc1ccc2ccccc2n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000095951167 211285616 /nfs/dbraw/zinc/28/56/16/211285616.db2.gz OKZBHFOYLMBCFD-UHFFFAOYSA-N 0 0 384.317 4.556 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@@H](c2ccc(F)c(Cl)c2)S1 ZINC000095478236 211249050 /nfs/dbraw/zinc/24/90/50/211249050.db2.gz YCTLTMUBKGJPSG-OAHLLOKOSA-N 0 0 381.860 4.619 50 0 GJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000095472447 211247280 /nfs/dbraw/zinc/24/72/80/211247280.db2.gz VNUMOIOHNUTNGW-RHSMWYFYSA-N 0 0 387.505 4.614 50 0 GJAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 ZINC000095361265 211224135 /nfs/dbraw/zinc/22/41/35/211224135.db2.gz NLKWFIDCGBCCMW-OAHLLOKOSA-N 0 0 377.891 4.804 50 0 GJAARN Cc1ccc(-c2cc(C(=O)NCC[C@H](c3ccco3)c3ccc(F)cc3)[nH]n2)o1 ZINC000091643349 211199380 /nfs/dbraw/zinc/19/93/80/211199380.db2.gz LWWPRNYOGHKZMU-KRWDZBQOSA-N 0 0 393.418 4.662 50 0 GJAARN Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc([C@@H]5CCCO5)s4)CC3)nc21 ZINC000091831074 211207926 /nfs/dbraw/zinc/20/79/26/211207926.db2.gz KOYDDWIETROIFT-KRWDZBQOSA-N 0 0 395.528 4.804 50 0 GJAARN CCC(CC)[C@@H](CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)OC ZINC000089943073 211188319 /nfs/dbraw/zinc/18/83/19/211188319.db2.gz QOJXFPUPFOLRCB-JOCHJYFZSA-N 0 0 396.531 4.818 50 0 GJAARN Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089688831 211182925 /nfs/dbraw/zinc/18/29/25/211182925.db2.gz XKTZSLLUCPKTJS-HNNXBMFYSA-N 0 0 396.821 4.935 50 0 GJAARN COc1ccccc1-c1nn(CN2CCC(Cc3ccccc3)CC2)c(=S)o1 ZINC000089483991 211181374 /nfs/dbraw/zinc/18/13/74/211181374.db2.gz FBNXBCUHKKHAJP-UHFFFAOYSA-N 0 0 395.528 4.793 50 0 GJAARN C[C@H]1CCCN(C(=O)CC2(CC(=O)N3CCC[C@H](C)CC3)CCCC2)CC1 ZINC000078528505 211147324 /nfs/dbraw/zinc/14/73/24/211147324.db2.gz JSIFUNCNDMRTCQ-PMACEKPBSA-N 0 0 376.585 4.624 50 0 GJAARN O=C1N=C(Nc2cc(F)c(F)c(F)c2)C(=Cc2ccc3nccnc3c2)S1 ZINC000072401634 211112156 /nfs/dbraw/zinc/11/21/56/211112156.db2.gz WXXAALBSXKVTLM-UUASQNMZSA-N 0 0 386.358 4.765 50 0 GJAARN O=C1C[C@H](c2cccc(Br)c2)c2cnn(Cc3cccs3)c2N1 ZINC000072405151 211111744 /nfs/dbraw/zinc/11/17/44/211111744.db2.gz LKPBQFUHZALDMO-CQSZACIVSA-N 0 0 388.290 4.879 50 0 GJAARN Cc1cc(C)nc(Nc2cccc(OCc3nc(-c4cccs4)no3)c2)n1 ZINC000072172397 211081908 /nfs/dbraw/zinc/08/19/08/211081908.db2.gz CHOYTGVWMQVLNW-UHFFFAOYSA-N 0 0 379.445 4.528 50 0 GJAARN O=C1COc2ccc(-c3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2N1 ZINC000071971846 211066209 /nfs/dbraw/zinc/06/62/09/211066209.db2.gz AEGZXBWBAIZVIK-UHFFFAOYSA-N 0 0 376.359 4.827 50 0 GJAARN CCOc1ccc2cc(C(=O)Nc3ccnc(Sc4ccccn4)c3)[nH]c2c1 ZINC000071855255 211065182 /nfs/dbraw/zinc/06/51/82/211065182.db2.gz WQUKTWGPSXWHKY-UHFFFAOYSA-N 0 0 390.468 4.760 50 0 GJAARN Cc1nc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1 ZINC000071924295 211064118 /nfs/dbraw/zinc/06/41/18/211064118.db2.gz JTBYZAAZKZJYIY-JTQLQIEISA-N 0 0 393.249 4.513 50 0 GJAARN CCc1[nH]c2c(cc(C)cc2CNc2cc(C(=O)N3CCCCC3)ccn2)c1C ZINC000071760461 211058883 /nfs/dbraw/zinc/05/88/83/211058883.db2.gz SMTZYWPPQFRDBB-UHFFFAOYSA-N 0 0 390.531 4.980 50 0 GJAARN Cc1c2cc(Cl)cc(CNC(=O)[C@]3(C)CCCO3)c2[nH]c1-c1ccccc1 ZINC000071751013 211056687 /nfs/dbraw/zinc/05/66/87/211056687.db2.gz 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Cc1cc(SCC(=O)NCCC2=CCCCC2)nc(-c2ccc(F)cc2)n1 ZINC000067257118 211005267 /nfs/dbraw/zinc/00/52/67/211005267.db2.gz UMBRTLRWCCLHSS-UHFFFAOYSA-N 0 0 385.508 4.690 50 0 GJAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F ZINC000067296069 211006037 /nfs/dbraw/zinc/00/60/37/211006037.db2.gz LSOGASWRCKPGMM-NKFKGCMQSA-N 0 0 383.379 4.652 50 0 GJAARN C[C@@H](NC(=O)c1ccn2c(c1)nnc2-c1ccccc1Cl)c1ccccc1 ZINC000065296358 210986208 /nfs/dbraw/zinc/98/62/08/210986208.db2.gz KLHUWPNMTQGODS-CQSZACIVSA-N 0 0 376.847 4.541 50 0 GJAARN CCCn1c(-c2cccc(C(=O)Nc3cccc(OC)c3)c2)nc2cccnc21 ZINC000065172787 210970605 /nfs/dbraw/zinc/97/06/05/210970605.db2.gz MQSPLZSZCKOVFZ-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN CCSc1ccc(-c2cccc(NC(=O)c3ccc(OC)cc3C)c2)nn1 ZINC000065185928 210972607 /nfs/dbraw/zinc/97/26/07/210972607.db2.gz WJZMAJRMZYKFPE-UHFFFAOYSA-N 0 0 379.485 4.825 50 0 GJAARN CCc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955904 210955071 /nfs/dbraw/zinc/95/50/71/210955071.db2.gz 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Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(C)cc5)n3n2)CCCC4)cc1 ZINC000046022996 210833694 /nfs/dbraw/zinc/83/36/94/210833694.db2.gz MOTLAVFSQRRWFP-UHFFFAOYSA-N 0 0 383.499 4.954 50 0 GJAARN COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(OC(F)F)c(OC)c1 ZINC000045090319 210821332 /nfs/dbraw/zinc/82/13/32/210821332.db2.gz DFOTULVUIQOPDP-GFCCVEGCSA-N 0 0 397.443 4.566 50 0 GJAARN Cc1ccc(C(=O)N([C@H](C)C2CC2)C2CC2)cc1NC(=O)c1ccccc1F ZINC000042917067 210802716 /nfs/dbraw/zinc/80/27/16/210802716.db2.gz KIIVQGRYGVLWCW-OAHLLOKOSA-N 0 0 380.463 4.790 50 0 GJAARN CC[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccs1 ZINC000040156980 210781452 /nfs/dbraw/zinc/78/14/52/210781452.db2.gz LZYQHSPVBPOOFA-IBGZPJMESA-N 0 0 399.537 4.603 50 0 GJAARN O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478309 210788859 /nfs/dbraw/zinc/78/88/59/210788859.db2.gz JDQUNYWVEPRMLB-UHFFFAOYSA-N 0 0 394.631 4.884 50 0 GJAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2cccc(OC(C)C)c2)c1 ZINC000036358689 210722076 /nfs/dbraw/zinc/72/20/76/210722076.db2.gz 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O=C(NCc1ccccc1)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126479 210626061 /nfs/dbraw/zinc/62/60/61/210626061.db2.gz WLYSJYHLZXIJLZ-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)cc1 ZINC000032950165 210606310 /nfs/dbraw/zinc/60/63/10/210606310.db2.gz KFGCOPDNWGENAP-UHFFFAOYSA-N 0 0 391.519 4.807 50 0 GJAARN CCc1cccc2c(C3=CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)c[nH]c21 ZINC000032754300 210584267 /nfs/dbraw/zinc/58/42/67/210584267.db2.gz LONSEOATIGZIFF-UHFFFAOYSA-N 0 0 390.483 4.677 50 0 GJAARN O=C(Cc1ccc(F)cc1)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000032797540 210590650 /nfs/dbraw/zinc/59/06/50/210590650.db2.gz GPRPZJLSDZFWBX-UHFFFAOYSA-N 0 0 387.410 4.943 50 0 GJAARN O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000032594065 210578535 /nfs/dbraw/zinc/57/85/35/210578535.db2.gz FWCKAPWCMVCPJI-UHFFFAOYSA-N 0 0 377.488 4.770 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1F)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000031533583 210563705 /nfs/dbraw/zinc/56/37/05/210563705.db2.gz KJZJOUVTRGMXLO-UHFFFAOYSA-N 0 0 385.389 4.946 50 0 GJAARN Cc1cc(C)cc(NCCC(=O)N[C@@H](C)c2cccc(Br)c2)c1 ZINC000040152807 210540448 /nfs/dbraw/zinc/54/04/48/210540448.db2.gz BNVTYNAXOAZIAQ-HNNXBMFYSA-N 0 0 375.310 4.745 50 0 GJAARN O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000027989350 210519936 /nfs/dbraw/zinc/51/99/36/210519936.db2.gz ITRAKRKUMKWLGN-UHFFFAOYSA-N 0 0 395.361 4.507 50 0 GJAARN CC(C)c1noc([C@H](C)Sc2nccn2-c2ccc(Br)cc2)n1 ZINC000027811014 210518777 /nfs/dbraw/zinc/51/87/77/210518777.db2.gz YXUVFGUCYIUTSI-NSHDSACASA-N 0 0 393.310 4.995 50 0 GJAARN Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000027852006 210518230 /nfs/dbraw/zinc/51/82/30/210518230.db2.gz FFIKGRLZGYINAS-CHWSQXEVSA-N 0 0 399.438 4.521 50 0 GJAARN Cc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c(C)n1Cc1ccccn1 ZINC000025169189 210479451 /nfs/dbraw/zinc/47/94/51/210479451.db2.gz PTNRHDNCRSFCCI-UHFFFAOYSA-N 0 0 397.482 4.566 50 0 GJAARN Cc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccc2ccccc2c1 ZINC000023637171 210449425 /nfs/dbraw/zinc/44/94/25/210449425.db2.gz SEWPRTXOXVZUHS-INIZCTEOSA-N 0 0 379.481 4.811 50 0 GJAARN Cc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccccc1 ZINC000021914683 210401225 /nfs/dbraw/zinc/40/12/25/210401225.db2.gz DCFMVMPRDNALQD-UHFFFAOYSA-N 0 0 376.847 4.919 50 0 GJAARN CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 ZINC000021908029 210399334 /nfs/dbraw/zinc/39/93/34/210399334.db2.gz TYWCQKHTKMJPDF-UHFFFAOYSA-N 0 0 380.473 4.539 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc(N2CCCC2)n1 ZINC000021794187 210393449 /nfs/dbraw/zinc/39/34/49/210393449.db2.gz WREZVTCQZZRIFZ-UHFFFAOYSA-N 0 0 391.450 4.520 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2C)sc2ncnc(N3CCCC3)c12 ZINC000021717133 210391005 /nfs/dbraw/zinc/39/10/05/210391005.db2.gz SGZSGENGRFWYDU-UHFFFAOYSA-N 0 0 386.908 4.814 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cccc(F)c1)CC(=O)N2 ZINC000021661020 210389225 /nfs/dbraw/zinc/38/92/25/210389225.db2.gz DYVOGDQGRSKSLR-HNNXBMFYSA-N 0 0 392.459 4.712 50 0 GJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1cc(Cl)ccc1F)CC(=O)N2 ZINC000021660916 210389313 /nfs/dbraw/zinc/38/93/13/210389313.db2.gz BLCDWRPWMDHTOY-CYBMUJFWSA-N 0 0 396.809 4.589 50 0 GJAARN CC(C)(C)c1cc([C@@H](c2ccncc2)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000021673409 210389372 /nfs/dbraw/zinc/38/93/72/210389372.db2.gz BKNZBXOKANILIF-OAQYLSRUSA-N 0 0 382.548 4.804 50 0 GJAARN Cc1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1C ZINC000021659914 210388228 /nfs/dbraw/zinc/38/82/28/210388228.db2.gz OSAVBCPJTWDQTF-NRFANRHFSA-N 0 0 386.495 4.684 50 0 GJAARN Cc1nnc2c(SCc3nc(-c4ccccc4)oc3C)nc3ccccc3n12 ZINC000021657970 210387559 /nfs/dbraw/zinc/38/75/59/210387559.db2.gz NVGRCYGPMAAZEC-UHFFFAOYSA-N 0 0 387.468 4.842 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c(C)c1 ZINC000021538792 210385790 /nfs/dbraw/zinc/38/57/90/210385790.db2.gz WMDKXLKVTSKGBR-UHFFFAOYSA-N 0 0 392.528 4.677 50 0 GJAARN CCc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1 ZINC000021881901 210397915 /nfs/dbraw/zinc/39/79/15/210397915.db2.gz GTVZVGNQKGKEDF-UHFFFAOYSA-N 0 0 395.528 4.715 50 0 GJAARN CC(=O)Nc1ccc2[nH]c(C)c([C@H](Nc3cccc(C)n3)c3ccccn3)c2c1 ZINC000021805645 210396112 /nfs/dbraw/zinc/39/61/12/210396112.db2.gz LGOVLABBGXCNKC-HSZRJFAPSA-N 0 0 385.471 4.735 50 0 GJAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000021787581 210393896 /nfs/dbraw/zinc/39/38/96/210393896.db2.gz PJAXZTFKMUSWFB-QHCPKHFHSA-N 0 0 391.515 4.806 50 0 GJAARN CC[C@H]1Nc2c(sc3nc(C)cc(COC)c32)C(=O)N1c1ccc(OC)cc1 ZINC000021169261 210379339 /nfs/dbraw/zinc/37/93/39/210379339.db2.gz OOCGJZXRMCIDBW-INIZCTEOSA-N 0 0 397.500 4.568 50 0 GJAARN O=C(Nc1cccc(F)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021100914 210377126 /nfs/dbraw/zinc/37/71/26/210377126.db2.gz WKWFXGSFOTZQDG-UHFFFAOYSA-N 0 0 376.435 4.565 50 0 biogenic GJAARN Cc1ccc2[nH]c(C(=O)N3CCC(C)CC3)c(NC(=O)c3cccc(C)c3)c2c1 ZINC000021362258 210382120 /nfs/dbraw/zinc/38/21/20/210382120.db2.gz YXDDQNQFFDGCFF-UHFFFAOYSA-N 0 0 389.499 4.909 50 0 GJAARN CCCCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000021329787 210381289 /nfs/dbraw/zinc/38/12/89/210381289.db2.gz QRYPEHMTCZOOSI-UHFFFAOYSA-N 0 0 376.566 4.538 50 0 GJAARN CCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980503 210371107 /nfs/dbraw/zinc/37/11/07/210371107.db2.gz FMUIWCMFDITMFA-UHFFFAOYSA-N 0 0 388.446 4.925 50 0 GJAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCN(c2ccccc2)CC1 ZINC000020931478 210370446 /nfs/dbraw/zinc/37/04/46/210370446.db2.gz UAKYFBJUKOBBGY-UHFFFAOYSA-N 0 0 396.581 4.563 50 0 GJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccccc2Cl)cc1 ZINC000020892152 210367267 /nfs/dbraw/zinc/36/72/67/210367267.db2.gz YYXUJBRTSISNSI-LJQANCHMSA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2 ZINC000020892097 210366927 /nfs/dbraw/zinc/36/69/27/210366927.db2.gz NSQHJBVBWQRGRR-SFHVURJKSA-N 0 0 387.867 4.748 50 0 GJAARN Cc1ccc(-c2nonc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C ZINC000020899438 210366249 /nfs/dbraw/zinc/36/62/49/210366249.db2.gz CJYQOFPOLCLLPH-UHFFFAOYSA-N 0 0 385.851 4.641 50 0 GJAARN Cc1c(C[NH2+]CCc2ccccc2C)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000020865845 210365640 /nfs/dbraw/zinc/36/56/40/210365640.db2.gz VRMATVZGPUFDKT-UHFFFAOYSA-N 0 0 390.527 4.801 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3cc(=O)c4c(C)cc(C)cc4o3)sc2c1 ZINC000020867851 210364571 /nfs/dbraw/zinc/36/45/71/210364571.db2.gz WAGDLFUSMNXFPY-UHFFFAOYSA-N 0 0 394.452 4.671 50 0 GJAARN Cc1c(C[NH2+]CCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000020865830 210364453 /nfs/dbraw/zinc/36/44/53/210364453.db2.gz SXAXLZIAVWKHRM-UHFFFAOYSA-N 0 0 390.527 4.801 50 0 GJAARN Cc1cc(C)c(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)c(C)c1 ZINC000020767828 210361562 /nfs/dbraw/zinc/36/15/62/210361562.db2.gz KBJTWAVGGQAPKB-UHFFFAOYSA-N 0 0 389.480 4.601 50 0 GJAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cn1 ZINC000020604950 210352206 /nfs/dbraw/zinc/35/22/06/210352206.db2.gz PVNRHCLKJLOOGU-UHFFFAOYSA-N 0 0 389.356 4.770 50 0 GJAARN CC[C@@H](C)NC(=O)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000020573236 210348541 /nfs/dbraw/zinc/34/85/41/210348541.db2.gz ZVUSUSZCVNILHG-DYVFJYSZSA-N 0 0 384.867 4.577 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)NC1CCCC1 ZINC000020509658 210344419 /nfs/dbraw/zinc/34/44/19/210344419.db2.gz FFMPTPZQYFVZED-GOSISDBHSA-N 0 0 396.878 4.721 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)NC1CCCC1 ZINC000020509655 210343704 /nfs/dbraw/zinc/34/37/04/210343704.db2.gz FFMPTPZQYFVZED-SFHVURJKSA-N 0 0 396.878 4.721 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)c1noc2c1COc1ccc(C)cc1-2 ZINC000020509891 210343759 /nfs/dbraw/zinc/34/37/59/210343759.db2.gz LMPLKFNQILLHDF-UHFFFAOYSA-N 0 0 384.819 4.765 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCc1cccc(F)c1)CO2 ZINC000020502672 210342875 /nfs/dbraw/zinc/34/28/75/210342875.db2.gz LFEXYCMDCPWVGZ-UHFFFAOYSA-N 0 0 393.458 4.514 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CCCn1c(=O)c2cccn2c2ccccc21 ZINC000020489711 210341696 /nfs/dbraw/zinc/34/16/96/210341696.db2.gz BVHZEDCYEJDTDO-UHFFFAOYSA-N 0 0 393.874 4.635 50 0 GJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1C1CCCC1 ZINC000020387281 210330900 /nfs/dbraw/zinc/33/09/00/210330900.db2.gz WJPFXZYJSLFUNF-XMMPIXPASA-N 0 0 382.548 4.615 50 0 GJAARN O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1 ZINC000020366406 210328275 /nfs/dbraw/zinc/32/82/75/210328275.db2.gz GLTVFVDWAOGDQF-UHFFFAOYSA-N 0 0 393.196 4.641 50 0 GJAARN COc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1Cl ZINC000020319272 210325644 /nfs/dbraw/zinc/32/56/44/210325644.db2.gz BXCXGMDPNGAKIH-SFHVURJKSA-N 0 0 385.876 4.572 50 0 GJAARN COc1ccc(-n2nc(Nc3ccccc3-c3ccc(C)o3)c(C(C)=O)n2)cc1 ZINC000020446738 210334242 /nfs/dbraw/zinc/33/42/42/210334242.db2.gz BFZGQIMBENCKDX-UHFFFAOYSA-N 0 0 388.427 4.791 50 0 GJAARN Cc1ccc2nc(N3CCCCC3)c(/C=C3\N=C(c4ccccc4)OC3=O)cc2c1 ZINC000019848432 210303197 /nfs/dbraw/zinc/30/31/97/210303197.db2.gz VIMYPYKGJIHAMV-JWGURIENSA-N 0 0 397.478 4.878 50 0 GJAARN COc1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1OC ZINC000019819508 210299718 /nfs/dbraw/zinc/29/97/18/210299718.db2.gz QCDWEZABJLHYKA-UHFFFAOYSA-N 0 0 388.514 4.769 50 0 GJAARN O=C(/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019798739 210298406 /nfs/dbraw/zinc/29/84/06/210298406.db2.gz QIRBBJRUUTUFMY-WUKNDPDISA-N 0 0 382.507 4.634 50 0 GJAARN COc1cccc(NC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000019880232 210305301 /nfs/dbraw/zinc/30/53/01/210305301.db2.gz IOIZAYOYABGDHW-UHFFFAOYSA-N 0 0 399.494 4.615 50 0 GJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000019683150 210281612 /nfs/dbraw/zinc/28/16/12/210281612.db2.gz XQJWTJLJEYIUDZ-UHFFFAOYSA-N 0 0 396.874 4.685 50 0 aggregator,in-vitro GJAARN CC[C@@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccc(C)cc3)nn2)o1 ZINC000000737845 220455696 /nfs/dbraw/zinc/45/56/96/220455696.db2.gz AOPVPXMYBZRGGH-OAHLLOKOSA-N 0 0 381.501 4.866 50 0 GJAARN O=C(Nc1nnc(C(F)(F)F)s1)/C(=C/c1ccccc1)c1ccccc1 ZINC000001126767 220476647 /nfs/dbraw/zinc/47/66/47/220476647.db2.gz DDRIAGBAITVVKA-SDNWHVSQSA-N 0 0 375.375 4.736 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C)cc1 ZINC000001133799 220477485 /nfs/dbraw/zinc/47/74/85/220477485.db2.gz SCRUHEWNSQQOJS-UHFFFAOYSA-N 0 0 385.876 4.739 50 0 GJAARN COc1ccc(OC)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000001134548 220478640 /nfs/dbraw/zinc/47/86/40/220478640.db2.gz GYUBYNOKURMHEJ-UHFFFAOYSA-N 0 0 386.300 4.883 50 0 GJAARN C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000001425924 220497322 /nfs/dbraw/zinc/49/73/22/220497322.db2.gz GQLFXGMXSHVQIO-QMHKHESXSA-N 0 0 386.451 4.693 50 0 GJAARN O=C(O[C@@H](/C=C1\CCCC=C1N1CCOCC1)c1ccccc1)c1ccccc1 ZINC000003226962 220612131 /nfs/dbraw/zinc/61/21/31/220612131.db2.gz FWHGSZPOIDNJLH-FABAWLPWSA-N 0 0 389.495 4.911 50 0 GJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)C[C@@H](C)CC2 ZINC000005055627 220820670 /nfs/dbraw/zinc/82/06/70/220820670.db2.gz LGYNKKHPIQPVIN-ZDUSSCGKSA-N 0 0 378.497 4.638 50 0 GJAARN COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(F)c(F)c3)cs2)cc1 ZINC000007986454 221019003 /nfs/dbraw/zinc/01/90/03/221019003.db2.gz PYICUXNHOIBWHY-LBPRGKRZSA-N 0 0 388.439 4.517 50 0 GJAARN Cc1nc(NC(=O)Nc2ccc(C)cc2)sc1C(=O)NCC1CCCCC1 ZINC000008771634 221058829 /nfs/dbraw/zinc/05/88/29/221058829.db2.gz RPCSIJGISGBYNG-UHFFFAOYSA-N 0 0 386.521 4.714 50 0 GJAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)C(C)C)cc3c2C)cc1OC ZINC000009419857 221080590 /nfs/dbraw/zinc/08/05/90/221080590.db2.gz CXBYODQKABLVRL-UHFFFAOYSA-N 0 0 381.428 4.584 50 0 GJAARN COc1ccc2cc(CNC(=O)NCc3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000010205909 221097987 /nfs/dbraw/zinc/09/79/87/221097987.db2.gz FYZWLLJNGIRXNM-UHFFFAOYSA-N 0 0 388.389 4.867 50 0 GJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011177576 221111960 /nfs/dbraw/zinc/11/19/60/221111960.db2.gz LSRAYGYWZAEWAY-UHFFFAOYSA-N 0 0 387.439 4.975 50 0 GJAARN CC(=O)N[C@@H](CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)c1cccs1 ZINC000012109055 221150640 /nfs/dbraw/zinc/15/06/40/221150640.db2.gz JLHFIWKAFFJGHO-CFGKVWFZSA-N 0 0 391.496 4.520 50 0 GJAARN COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000012943820 221248944 /nfs/dbraw/zinc/24/89/44/221248944.db2.gz XJUXNWMNEDEDDJ-BOPFTXTBSA-N 0 0 399.903 4.522 50 0 GJAARN O=C(Nc1ccccc1SC1CCCC1)N1CCN(c2ccccc2O)CC1 ZINC000040104995 132396317 /nfs/dbraw/zinc/39/63/17/132396317.db2.gz XXFQSOKGASAAGL-UHFFFAOYSA-N 0 0 397.544 4.781 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(F)c1C ZINC000064459727 136156843 /nfs/dbraw/zinc/15/68/43/136156843.db2.gz RADHISYIRZEMPW-GFCCVEGCSA-N 0 0 398.507 4.936 50 0 GJAARN Cc1ccc(CN2c3ccccc3OC[C@@H]2CC(=O)NC2CCCCC2)cc1 ZINC000064663959 136157306 /nfs/dbraw/zinc/15/73/06/136157306.db2.gz DUMXEGUZNOGZAH-NRFANRHFSA-N 0 0 378.516 4.602 50 0 GJAARN Cc1ccc(CN2CCN(C(=O)Nc3ccc(F)cc3F)c3cccnc32)cc1 ZINC000064929629 136158247 /nfs/dbraw/zinc/15/82/47/136158247.db2.gz WVRKKRSERPGIIT-UHFFFAOYSA-N 0 0 394.425 4.727 50 0 GJAARN O=C(Nc1cccc(F)c1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025728 136158848 /nfs/dbraw/zinc/15/88/48/136158848.db2.gz OAPZYEAKIRSNNZ-UHFFFAOYSA-N 0 0 376.435 4.525 50 0 GJAARN Cc1ccc(CNC(=O)Nc2cc(F)c3nc(N4CCCCC4)ccc3c2)cc1 ZINC000065029771 136158987 /nfs/dbraw/zinc/15/89/87/136158987.db2.gz ZSCCDRBOENXKIJ-UHFFFAOYSA-N 0 0 392.478 4.994 50 0 GJAARN CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000072324936 136168294 /nfs/dbraw/zinc/16/82/94/136168294.db2.gz QWNKCIOVTYAJMU-NRFANRHFSA-N 0 0 376.500 4.658 50 0 biogenic GJAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 ZINC000084686986 136175079 /nfs/dbraw/zinc/17/50/79/136175079.db2.gz KASVQNJSKACMET-LRDDRELGSA-N 0 0 386.904 4.687 50 0 GJAARN FC(F)(F)c1ccc(N2CCN(Cc3ccccc3)CC2)c(Br)c1 ZINC000095080907 136177778 /nfs/dbraw/zinc/17/77/78/136177778.db2.gz ILWCWMOPYUSICK-UHFFFAOYSA-N 0 0 399.254 4.790 50 0 GJAARN CC(=O)N1CCCc2cc(NC(=O)/C=C/c3c(Cl)cccc3Cl)ccc21 ZINC000095393443 136179106 /nfs/dbraw/zinc/17/91/06/136179106.db2.gz XKMYJJSBYPILKZ-CSKARUKUSA-N 0 0 389.282 4.944 50 0 GJAARN c1sc2nc(C3CC3)nc(N3CCc4cncnc4C3)c2c1-c1ccccc1 ZINC000095394218 136179178 /nfs/dbraw/zinc/17/91/78/136179178.db2.gz LFIGHPCACIDHDS-UHFFFAOYSA-N 0 0 385.496 4.588 50 0 GJAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(c4cc(C)ncn4)CC3)cc2)c1 ZINC000095510501 136180659 /nfs/dbraw/zinc/18/06/59/136180659.db2.gz KDWKHYCWHUQFGO-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Clc1ccc(OCc2cccnc2)c(CN2CCN(c3ccccc3)CC2)c1 ZINC000096797763 136187529 /nfs/dbraw/zinc/18/75/29/136187529.db2.gz BPQQNUSAPAOOGZ-UHFFFAOYSA-N 0 0 393.918 4.636 50 0 GJAARN CC(=O)N1CCCc2cc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)ccc21 ZINC000158980630 136196096 /nfs/dbraw/zinc/19/60/96/136196096.db2.gz ZOSHILPUBCQOGR-UHFFFAOYSA-N 0 0 395.846 4.546 50 0 GJAARN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000013038681 136200830 /nfs/dbraw/zinc/20/08/30/136200830.db2.gz FLFZJMSZJQLJMJ-VQHVLOKHSA-N 0 0 394.824 4.721 50 0 GJAARN Cc1ccccc1NC(=O)COc1cccc2ccc(N3CCC[C@@H](C)C3)nc21 ZINC000017135942 136202225 /nfs/dbraw/zinc/20/22/25/136202225.db2.gz ZNIDWRRDEAGAPG-QGZVFWFLSA-N 0 0 389.499 4.797 50 0 GJAARN C[C@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(F)cc4)c3n2)C1 ZINC000017245602 136202244 /nfs/dbraw/zinc/20/22/44/136202244.db2.gz CCSSTSFDMYMDGK-INIZCTEOSA-N 0 0 393.462 4.628 50 0 GJAARN Cc1nn(C)c2ncc(C(=O)N3CCCc4cc(-c5ccccc5)ccc43)cc12 ZINC000119472541 136202301 /nfs/dbraw/zinc/20/23/01/136202301.db2.gz VWKIEXMUBJQOJY-UHFFFAOYSA-N 0 0 382.467 4.537 50 0 GJAARN Cn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000036615894 221861589 /nfs/dbraw/zinc/86/15/89/221861589.db2.gz IKHWFUSYXWEOHC-UHFFFAOYSA-N 0 0 380.810 4.680 50 0 GJAARN CCOc1ccc(CNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)cc1 ZINC000064676927 222079885 /nfs/dbraw/zinc/07/98/85/222079885.db2.gz WVEONQBEJKTJSX-UHFFFAOYSA-N 0 0 390.418 4.949 50 0 GJAARN COc1cc(C=O)ccc1OCCCOc1c(C)cc(C)cc1Br ZINC000002984022 533719525 /nfs/dbraw/zinc/71/95/25/533719525.db2.gz GXBQWCGGPLMWPZ-UHFFFAOYSA-N 0 0 393.277 4.735 50 0 GJAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cccc(Br)c1 ZINC000002451559 518185787 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Cc1sc2ncnc(NCc3ccc(NC(=O)c4ccco4)cc3)c2c1C ZINC000011607691 570233977 /nfs/dbraw/zinc/23/39/77/570233977.db2.gz SXHYUNMFHQUBCT-UHFFFAOYSA-N 0 0 378.457 4.766 50 0 GJAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)cc1 ZINC000000996454 570234337 /nfs/dbraw/zinc/23/43/37/570234337.db2.gz OEJSYAGKOLPAPQ-UHFFFAOYSA-N 0 0 387.501 4.843 50 0 GJAARN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001032623 570236110 /nfs/dbraw/zinc/23/61/10/570236110.db2.gz IGENCZURIFXIBM-UHFFFAOYSA-N 0 0 378.476 4.941 50 0 GJAARN CN(CCOC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)ccc2s1 ZINC000001036028 570236892 /nfs/dbraw/zinc/23/68/92/570236892.db2.gz SORVEAVLJCQFTK-UHFFFAOYSA-N 0 0 381.284 4.896 50 0 GJAARN Cc1nn(C)c2ncc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12 ZINC000001037637 570237150 /nfs/dbraw/zinc/23/71/50/570237150.db2.gz FLUQXYLOKASBNN-UHFFFAOYSA-N 0 0 383.761 4.593 50 0 GJAARN CCOc1cc(C(F)(F)F)c(C(=O)N(CC)Cc2ccc(Cl)cc2)cn1 ZINC000001042938 570237906 /nfs/dbraw/zinc/23/79/06/570237906.db2.gz UXQSHCOVPNTXBA-UHFFFAOYSA-N 0 0 386.801 4.815 50 0 GJAARN Cc1c(C)c(C)c(S(=O)(=O)NNc2c(Cl)cccc2Cl)c(C)c1C ZINC000001047262 570238380 /nfs/dbraw/zinc/23/83/80/570238380.db2.gz PVZIGQGWNNUURT-UHFFFAOYSA-N 0 0 387.332 4.841 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)c(OC)c1 ZINC000048331500 570238397 /nfs/dbraw/zinc/23/83/97/570238397.db2.gz RXVMLTLWVWQEPK-UHFFFAOYSA-N 0 0 392.864 4.943 50 0 GJAARN COc1ccc2oc(=O)c(-c3csc(Nc4ccccc4OC)n3)cc2c1 ZINC000001064517 570239912 /nfs/dbraw/zinc/23/99/12/570239912.db2.gz HNOFGPUDHFKWGB-UHFFFAOYSA-N 0 0 380.425 4.677 50 0 GJAARN O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C2CC2)c1 ZINC000044101333 570240124 /nfs/dbraw/zinc/24/01/24/570240124.db2.gz ULMWDDQDJIVWCR-UHFFFAOYSA-N 0 0 378.259 4.664 50 0 GJAARN COc1ccc(OC)c(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c1 ZINC000001068381 570240246 /nfs/dbraw/zinc/24/02/46/570240246.db2.gz NCCWDLZIZMVTDO-UHFFFAOYSA-N 0 0 376.456 4.591 50 0 GJAARN O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001066347 570240250 /nfs/dbraw/zinc/24/02/50/570240250.db2.gz QMMSVXBVHFZFLQ-UHFFFAOYSA-N 0 0 393.874 4.957 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c(C)c1 ZINC000015773835 570241155 /nfs/dbraw/zinc/24/11/55/570241155.db2.gz SKUMOIAQAHCEJR-QFIPXVFZSA-N 0 0 384.479 4.822 50 0 GJAARN C[C@@H]1COc2ccc(C(=O)NC3CCCCCC3)cc2N1Cc1ccccc1 ZINC000015775272 570241407 /nfs/dbraw/zinc/24/14/07/570241407.db2.gz XTZPAMXWZJZAPS-GOSISDBHSA-N 0 0 378.516 4.927 50 0 GJAARN CCOc1ccc(NC(=O)NCc2nc(-c3ccc(OCC)cc3)oc2C)cc1 ZINC000015774652 570241437 /nfs/dbraw/zinc/24/14/37/570241437.db2.gz YQQRICMPNLRHTL-UHFFFAOYSA-N 0 0 395.459 4.769 50 0 GJAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000001093176 570241683 /nfs/dbraw/zinc/24/16/83/570241683.db2.gz IDQRZPRKUAXDQE-AVRDEDQJSA-N 0 0 390.464 4.509 50 0 GJAARN Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)S2)cc1C ZINC000001107337 570241873 /nfs/dbraw/zinc/24/18/73/570241873.db2.gz TYIVQHFVLBCSQK-IBGZPJMESA-N 0 0 395.528 4.866 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000048354401 570242093 /nfs/dbraw/zinc/24/20/93/570242093.db2.gz KAXMMSJZKFRMBD-CYBMUJFWSA-N 0 0 394.298 4.873 50 0 GJAARN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(C)c(C)c2)c1 ZINC000035170919 570243626 /nfs/dbraw/zinc/24/36/26/570243626.db2.gz TVZAABUITKMDDG-FQEVSTJZSA-N 0 0 387.483 4.669 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1C ZINC000001130751 570245405 /nfs/dbraw/zinc/24/54/05/570245405.db2.gz GZSUEUHHHHDGIA-UHFFFAOYSA-N 0 0 397.500 4.613 50 0 GJAARN O=C(c1c(F)cccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020166353 570245669 /nfs/dbraw/zinc/24/56/69/570245669.db2.gz BRPALXGSSFHSEU-UHFFFAOYSA-N 0 0 392.449 4.512 50 0 GJAARN O=C(Cn1ccc2ccc(Br)cc21)N1CCCC[C@@H]1c1cccnc1 ZINC000247803428 570246908 /nfs/dbraw/zinc/24/69/08/570246908.db2.gz XDXNBCOHWUHKDB-GOSISDBHSA-N 0 0 398.304 4.553 50 0 GJAARN COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccccc1Cl ZINC000001140583 570247815 /nfs/dbraw/zinc/24/78/15/570247815.db2.gz AEKQGQZMSUKLFK-UHFFFAOYSA-N 0 0 398.821 4.992 50 0 GJAARN CCOc1cc(C(=O)Nc2cccc(OC)c2)ccc1OCc1ccccc1 ZINC000001142314 570247877 /nfs/dbraw/zinc/24/78/77/570247877.db2.gz CGEVFALKLRXGQE-UHFFFAOYSA-N 0 0 377.440 4.925 50 0 GJAARN O=C(c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1)N1CCOCC1 ZINC000006112684 570248108 /nfs/dbraw/zinc/24/81/08/570248108.db2.gz FGGNZMZIZQAAHS-UHFFFAOYSA-N 0 0 391.858 4.509 50 0 biogenic GJAARN Cc1nc2sc3c(c2c(SCC(=O)N[C@@H](C)c2ccccc2)n1)CCCC3 ZINC000006113794 570248400 /nfs/dbraw/zinc/24/84/00/570248400.db2.gz NGBVYLUDXFAOBN-ZDUSSCGKSA-N 0 0 397.569 4.848 50 0 GJAARN Cc1cc(OCC(=O)C(C)(C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000001152484 570249247 /nfs/dbraw/zinc/24/92/47/570249247.db2.gz KSJVAFBNSCPSMT-UHFFFAOYSA-N 0 0 378.468 4.995 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000048374610 570249521 /nfs/dbraw/zinc/24/95/21/570249521.db2.gz SDFKJLGJCFLBRF-QGZVFWFLSA-N 0 0 398.256 4.533 50 0 GJAARN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1Br ZINC000001157914 570250482 /nfs/dbraw/zinc/25/04/82/570250482.db2.gz YEFCIHLYCDLCRA-UHFFFAOYSA-N 0 0 384.657 4.762 50 0 GJAARN CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1 ZINC000001509255 570253397 /nfs/dbraw/zinc/25/33/97/570253397.db2.gz OVUZSNOBYFMRQO-UHFFFAOYSA-N 0 0 386.860 4.893 50 0 GJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(I)cc1 ZINC000001179082 570254814 /nfs/dbraw/zinc/25/48/14/570254814.db2.gz CMWHJTORFUFXRK-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(I)cc1 ZINC000001178933 570254883 /nfs/dbraw/zinc/25/48/83/570254883.db2.gz GEKRVKQLQVRDBK-GFCCVEGCSA-N 0 0 397.281 4.552 50 0 GJAARN Cc1cc(I)ccc1NC(=O)c1cc2ccccc2o1 ZINC000001180940 570255053 /nfs/dbraw/zinc/25/50/53/570255053.db2.gz SEKMGGSQRHPJAF-UHFFFAOYSA-N 0 0 377.181 4.598 50 0 GJAARN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 ZINC000001182113 570255536 /nfs/dbraw/zinc/25/55/36/570255536.db2.gz KNELPXTYJWGVGJ-YCRREMRBSA-N 0 0 381.284 4.528 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000001193777 570256903 /nfs/dbraw/zinc/25/69/03/570256903.db2.gz JJAOKKBJDARJOV-UHFFFAOYSA-N 0 0 375.490 4.829 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(Cl)cc2)n1 ZINC000049004877 570257147 /nfs/dbraw/zinc/25/71/47/570257147.db2.gz ILGJHYHSWAPWKQ-UHFFFAOYSA-N 0 0 398.919 4.524 50 0 GJAARN CCCc1nc(-n2cccc2)sc1C(=O)NCc1ccccc1C(F)(F)F ZINC000049006261 570257597 /nfs/dbraw/zinc/25/75/97/570257597.db2.gz GFJYPNFNYQGOGO-UHFFFAOYSA-N 0 0 393.434 4.835 50 0 GJAARN Cc1c(Cl)cccc1N1C(=O)C[C@H](Sc2nc3ccccc3s2)C1=O ZINC000001202333 570257860 /nfs/dbraw/zinc/25/78/60/570257860.db2.gz YFECCSZCAFMGJW-HNNXBMFYSA-N 0 0 388.901 4.682 50 0 GJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Br)o1 ZINC000001207596 570258099 /nfs/dbraw/zinc/25/80/99/570258099.db2.gz NOQMQDHJSMASBL-UHFFFAOYSA-N 0 0 399.200 4.808 50 0 GJAARN Cc1nc(SCC(=O)Nc2c(C)cccc2Cl)cc(-c2ccccn2)n1 ZINC000049007161 570258328 /nfs/dbraw/zinc/25/83/28/570258328.db2.gz DGJSCSURAHWOBZ-UHFFFAOYSA-N 0 0 384.892 4.540 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000001217630 570258904 /nfs/dbraw/zinc/25/89/04/570258904.db2.gz SJFSGNNJBHIWJV-UHFFFAOYSA-N 0 0 393.283 4.994 50 0 GJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 ZINC000001267335 570260014 /nfs/dbraw/zinc/26/00/14/570260014.db2.gz QNNWYGOPBXLMPD-UHFFFAOYSA-N 0 0 386.455 4.607 50 0 GJAARN O=C(Nc1cccc2ccc(-n3ccnc3)nc21)c1ccccc1C(F)(F)F ZINC000049028042 570260106 /nfs/dbraw/zinc/26/01/06/570260106.db2.gz AHTIJGXBCHAFBP-UHFFFAOYSA-N 0 0 382.345 4.692 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(F)c(F)c2)n1 ZINC000049004739 570262114 /nfs/dbraw/zinc/26/21/14/570262114.db2.gz UDQDQOHTISREOG-UHFFFAOYSA-N 0 0 396.441 4.976 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1Cl ZINC000001418817 570262539 /nfs/dbraw/zinc/26/25/39/570262539.db2.gz IGICGQNUBXRYRB-UHFFFAOYSA-N 0 0 386.238 4.893 50 0 GJAARN COc1ccc(C(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2N)cc1 ZINC000001432831 570263059 /nfs/dbraw/zinc/26/30/59/570263059.db2.gz GRVBVXJBDVDGSI-UHFFFAOYSA-N 0 0 377.828 4.501 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc([S@](C)=O)cc3)ccc21 ZINC000012831663 570264096 /nfs/dbraw/zinc/26/40/96/570264096.db2.gz LMIRSCAOZPKNPQ-HHHXNRCGSA-N 0 0 376.481 4.804 50 0 GJAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012853760 570267346 /nfs/dbraw/zinc/26/73/46/570267346.db2.gz CYRVSKABEBBUGX-QGZVFWFLSA-N 0 0 386.300 4.528 50 0 GJAARN COc1cnc(CSc2ccc(C)cc2)cc1OCC(=O)Nc1ccccc1 ZINC000015824739 570267537 /nfs/dbraw/zinc/26/75/37/570267537.db2.gz KZYFMRZOGOSHJN-UHFFFAOYSA-N 0 0 394.496 4.708 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(OC)c(OC)c2)nc2ccc(Cl)cc21 ZINC000015829193 570268127 /nfs/dbraw/zinc/26/81/27/570268127.db2.gz FRQJIBLYMMZADA-UHFFFAOYSA-N 0 0 386.835 4.556 50 0 GJAARN CCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000001770847 570268232 /nfs/dbraw/zinc/26/82/32/570268232.db2.gz IMKMZVXFAGDCSZ-ZDUSSCGKSA-N 0 0 386.831 4.834 50 0 GJAARN CCCCC(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC ZINC000001819259 570268954 /nfs/dbraw/zinc/26/89/54/570268954.db2.gz DECKVCFQXOWWAO-UHFFFAOYSA-N 0 0 391.489 4.738 50 0 GJAARN COc1ccc(-c2cc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 ZINC000012866771 570269400 /nfs/dbraw/zinc/26/94/00/570269400.db2.gz CTXCMIVOQZPIQC-UHFFFAOYSA-N 0 0 376.334 4.550 50 0 GJAARN COc1ccc(OC)c(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000004543183 570270336 /nfs/dbraw/zinc/27/03/36/570270336.db2.gz QPJUKRRGMYXURN-UHFFFAOYSA-N 0 0 390.650 4.682 50 0 GJAARN Cn1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)n1 ZINC000020604303 570270906 /nfs/dbraw/zinc/27/09/06/570270906.db2.gz CQMIHJZCFYFXCA-UHFFFAOYSA-N 0 0 383.377 4.717 50 0 GJAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C4CC4)c3n2)s1 ZINC000020608004 570271511 /nfs/dbraw/zinc/27/15/11/570271511.db2.gz ZXGQYIPEJDFGCC-UHFFFAOYSA-N 0 0 383.420 4.845 50 0 GJAARN COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCc1ccccc1C ZINC000002082338 570273956 /nfs/dbraw/zinc/27/39/56/570273956.db2.gz KUUSSPHZHHCSAJ-KGENOOAVSA-N 0 0 399.446 4.927 50 0 GJAARN Cc1sc(NC(=O)COc2ccccc2Cl)nc1-c1ccc(F)cc1 ZINC000014911255 570276828 /nfs/dbraw/zinc/27/68/28/570276828.db2.gz CTVFRMHHTMWFSD-UHFFFAOYSA-N 0 0 376.840 4.929 50 0 GJAARN C[C@@H](CNC(=O)Nc1ccccc1)OC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002167943 570276965 /nfs/dbraw/zinc/27/69/65/570276965.db2.gz ALAHKWKNVOXAEQ-NSHDSACASA-N 0 0 382.247 4.752 50 0 GJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc3ccccc31)SCC(=O)N2 ZINC000020732328 570277442 /nfs/dbraw/zinc/27/74/42/570277442.db2.gz QPTFGAHTOOLGPI-LJQANCHMSA-N 0 0 387.468 4.548 50 0 GJAARN CSc1ccccc1NC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1 ZINC000005219359 570277665 /nfs/dbraw/zinc/27/76/65/570277665.db2.gz ZKEVTSWMHHLJLM-UHFFFAOYSA-N 0 0 385.514 4.806 50 0 GJAARN O=C(COc1ccc(F)cc1Br)Nc1cc(Cl)ccc1Cl ZINC000006152094 570277918 /nfs/dbraw/zinc/27/79/18/570277918.db2.gz ZDIMUZOGNDKFJX-UHFFFAOYSA-N 0 0 393.039 4.913 50 0 GJAARN CCC(=O)Oc1cc2oc(CC)c(-c3ccc4c(c3)OCO4)c(=O)c2cc1CC ZINC000000630382 570278199 /nfs/dbraw/zinc/27/81/99/570278199.db2.gz KHSOHCLKFNQNOC-UHFFFAOYSA-N 0 0 394.423 4.629 50 0 biogenic GJAARN Cc1ccc(C(=O)c2sc(Nc3ccc(C)c(Cl)c3)c(C(N)=O)c2N)cc1 ZINC000015862829 570279226 /nfs/dbraw/zinc/27/92/26/570279226.db2.gz ZVQQVDRJOCXJLK-UHFFFAOYSA-N 0 0 399.903 4.674 50 0 GJAARN CNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000643888 570279643 /nfs/dbraw/zinc/27/96/43/570279643.db2.gz KEBYDWZXIXAMQF-CYBMUJFWSA-N 0 0 388.508 4.650 50 0 GJAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000000645317 570280021 /nfs/dbraw/zinc/28/00/21/570280021.db2.gz OVAUNIAVRPZSSZ-UHFFFAOYSA-N 0 0 385.872 4.734 50 0 GJAARN COc1cccc(OC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c1 ZINC000015865582 570280203 /nfs/dbraw/zinc/28/02/03/570280203.db2.gz FEHFSAACDSHSGQ-UHFFFAOYSA-N 0 0 382.416 4.762 50 0 GJAARN Cc1cccc([C@H]2CCCN2C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)c1 ZINC000020899916 570283751 /nfs/dbraw/zinc/28/37/51/570283751.db2.gz UMWREGRLYIXAFZ-GOSISDBHSA-N 0 0 396.441 4.830 50 0 GJAARN COc1cc(CN(C(=O)c2[nH]c3c(c2C)c(C)ccc3C)C2CC2)ccc1O ZINC000215215555 570286420 /nfs/dbraw/zinc/28/64/20/570286420.db2.gz CPORLVCPICETAP-UHFFFAOYSA-N 0 0 378.472 4.612 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3)s2)cs1 ZINC000012894080 570286580 /nfs/dbraw/zinc/28/65/80/570286580.db2.gz BELWAQOWWBLCPS-UHFFFAOYSA-N 0 0 393.331 4.873 50 0 GJAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)c1 ZINC000000661321 570287199 /nfs/dbraw/zinc/28/71/99/570287199.db2.gz OOPGWLFTYNBLCJ-UHFFFAOYSA-N 0 0 393.443 4.946 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccc(C)cc4)c(N)c3cc2C1 ZINC000000661952 570287217 /nfs/dbraw/zinc/28/72/17/570287217.db2.gz HWILETZKNCITDK-CQSZACIVSA-N 0 0 379.529 4.632 50 0 GJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC ZINC000002448263 570287484 /nfs/dbraw/zinc/28/74/84/570287484.db2.gz MKYSWXYWWNEOMH-UHFFFAOYSA-N 0 0 380.517 4.567 50 0 GJAARN CCc1cc(OC)c(OC)cc1[C@H](C)NC(=O)c1cccc(Br)c1 ZINC000000668012 570287708 /nfs/dbraw/zinc/28/77/08/570287708.db2.gz LPUHTFSAZGMSBR-LBPRGKRZSA-N 0 0 392.293 4.520 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCC)cc2)c1 ZINC000021175560 570288946 /nfs/dbraw/zinc/28/89/46/570288946.db2.gz CGDRQHQRZMUZDB-UHFFFAOYSA-N 0 0 381.432 4.567 50 0 GJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)OC)C1 ZINC000000673054 570289075 /nfs/dbraw/zinc/28/90/75/570289075.db2.gz QCVJKZKCIKPGAI-CQSZACIVSA-N 0 0 386.517 4.723 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2cccc3ccccc32)n2cc(C(C)=O)ccc12 ZINC000002529489 570290040 /nfs/dbraw/zinc/29/00/40/570290040.db2.gz RNBIYQUPFIKRRB-UHFFFAOYSA-N 0 0 385.419 4.703 50 0 GJAARN COc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1Cl ZINC000010741216 570290057 /nfs/dbraw/zinc/29/00/57/570290057.db2.gz NENOPUBIRJDLCX-UHFFFAOYSA-N 0 0 397.887 4.906 50 0 GJAARN O=C(N[C@@H](CCO)C1CCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000002541633 570290345 /nfs/dbraw/zinc/29/03/45/570290345.db2.gz FDPLYEOXDDUDRB-QHCPKHFHSA-N 0 0 379.500 4.856 50 0 GJAARN Cc1csc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)n1 ZINC000021335007 570290347 /nfs/dbraw/zinc/29/03/47/570290347.db2.gz DGKVENQRFHAKBQ-KRWDZBQOSA-N 0 0 382.510 4.711 50 0 GJAARN Cc1ccc([C@@H](CCO)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002535312 570290406 /nfs/dbraw/zinc/29/04/06/570290406.db2.gz QUWNZQNWJZNAPQ-XMMPIXPASA-N 0 0 387.479 4.957 50 0 GJAARN Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000021423699 570291003 /nfs/dbraw/zinc/29/10/03/570291003.db2.gz JXSCJNLAKPCTSC-HIGJEIRPSA-N 0 0 388.529 4.737 50 0 GJAARN O=c1cc(CN2CCC[C@H]2c2cccs2)nc2scc(-c3ccccc3)n21 ZINC000021473127 570291564 /nfs/dbraw/zinc/29/15/64/570291564.db2.gz NRUIMKAXLOYOMA-KRWDZBQOSA-N 0 0 393.537 4.822 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)on2)cc1 ZINC000021525436 570292110 /nfs/dbraw/zinc/29/21/10/570292110.db2.gz GZDALJGXUFNSHZ-LJQANCHMSA-N 0 0 382.847 4.981 50 0 GJAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccccc1O ZINC000012915532 570293214 /nfs/dbraw/zinc/29/32/14/570293214.db2.gz WVVUBWJRDMRBIE-UHFFFAOYSA-N 0 0 378.375 4.716 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000021625100 570293393 /nfs/dbraw/zinc/29/33/93/570293393.db2.gz VACMCYHOGPVMTB-NRFANRHFSA-N 0 0 395.890 4.571 50 0 GJAARN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccco1 ZINC000012918184 570293468 /nfs/dbraw/zinc/29/34/68/570293468.db2.gz MXBZMLBPCAVTIN-UHFFFAOYSA-N 0 0 387.852 4.554 50 0 GJAARN CC(C)[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000012919875 570293687 /nfs/dbraw/zinc/29/36/87/570293687.db2.gz LVRMASJVGDJBHE-JTSKRJEESA-N 0 0 382.504 4.948 50 0 GJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000023327268 570294701 /nfs/dbraw/zinc/29/47/01/570294701.db2.gz PLBWMACZLLZRJX-OAHLLOKOSA-N 0 0 395.480 4.998 50 0 GJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)C1CCCCC1 ZINC000021782602 570295975 /nfs/dbraw/zinc/29/59/75/570295975.db2.gz VNQVUOQIPHBTTI-UHFFFAOYSA-N 0 0 380.536 4.703 50 0 GJAARN CCn1c(=O)c2sccc2nc1SCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000012924877 570296068 /nfs/dbraw/zinc/29/60/68/570296068.db2.gz VZCXMPLQNJGDNV-UHFFFAOYSA-N 0 0 399.324 4.760 50 0 GJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000021836991 570297541 /nfs/dbraw/zinc/29/75/41/570297541.db2.gz MWMWKIXQGSJYLM-OAHLLOKOSA-N 0 0 385.870 4.866 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2sc(CCC)cc2C(=O)OC)cc1 ZINC000002756281 570298738 /nfs/dbraw/zinc/29/87/38/570298738.db2.gz AKESIEFESIEPPZ-UHFFFAOYSA-N 0 0 375.490 4.918 50 0 GJAARN CN(Cc1ccc(Br)s1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000021925450 570299580 /nfs/dbraw/zinc/29/95/80/570299580.db2.gz SPZZNJZMFXOXQD-UHFFFAOYSA-N 0 0 391.334 4.973 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c(OC)c1 ZINC000021935104 570300018 /nfs/dbraw/zinc/30/00/18/570300018.db2.gz WANJCCHXLHBTPE-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1cccc(C(F)(F)F)c1 ZINC000033394973 570300287 /nfs/dbraw/zinc/30/02/87/570300287.db2.gz ZNOFTPOVKKDRPE-NVNXTCNLSA-N 0 0 396.365 4.950 50 0 GJAARN CC(C)COC(=O)c1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1 ZINC000000711821 570301472 /nfs/dbraw/zinc/30/14/72/570301472.db2.gz IVQJGEWPPNCZGZ-UHFFFAOYSA-N 0 0 399.446 4.963 50 0 GJAARN COc1cccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)c1 ZINC000022239260 570309918 /nfs/dbraw/zinc/30/99/18/570309918.db2.gz BCSJLEDAXKAQME-UHFFFAOYSA-N 0 0 377.375 4.598 50 0 GJAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2Br)cc1 ZINC000002858167 570310355 /nfs/dbraw/zinc/31/03/55/570310355.db2.gz WSCVDVXVYYVDHP-UHFFFAOYSA-N 0 0 391.334 4.873 50 0 GJAARN CCc1cc(C(=O)OC)c(NC(=S)N[C@H](C)c2cc(C)ccc2C)s1 ZINC000002858364 570310465 /nfs/dbraw/zinc/31/04/65/570310465.db2.gz LTEFYOIMTMLUNN-CYBMUJFWSA-N 0 0 376.547 4.762 50 0 GJAARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc21 ZINC000072314676 570310627 /nfs/dbraw/zinc/31/06/27/570310627.db2.gz FYZRPHSQNCKMPC-QFIPXVFZSA-N 0 0 378.435 4.621 50 0 GJAARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1nc(C)cs1 ZINC000002860555 570311071 /nfs/dbraw/zinc/31/10/71/570311071.db2.gz XRIIRBCHITZNFD-UHFFFAOYSA-N 0 0 391.290 4.557 50 0 GJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002862443 570311721 /nfs/dbraw/zinc/31/17/21/570311721.db2.gz QNHYCYFGHFRKMX-UHFFFAOYSA-N 0 0 394.858 4.782 50 0 GJAARN O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1F ZINC000022458250 570317244 /nfs/dbraw/zinc/31/72/44/570317244.db2.gz NZSQOHPCYAWFJI-UHFFFAOYSA-N 0 0 389.386 4.707 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000022460732 570317593 /nfs/dbraw/zinc/31/75/93/570317593.db2.gz JUSYNFIZGWKHKZ-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN CC[C@@H](C)Sc1ccc(NC(=O)NC[C@H](C)CC2(C)OCCO2)c(C)c1 ZINC000075094217 570318517 /nfs/dbraw/zinc/31/85/17/570318517.db2.gz RLIJYDRBTPGSJC-GDBMZVCRSA-N 0 0 380.554 4.796 50 0 GJAARN Cc1cc(C(=O)COC(=O)Cc2csc(-c3ccccc3)n2)c(C)n1C(C)C ZINC000012335485 570318454 /nfs/dbraw/zinc/31/84/54/570318454.db2.gz ZNFZCLYUQBQNEW-UHFFFAOYSA-N 0 0 396.512 4.778 50 0 GJAARN CC[C@@H](C)Sc1ccc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)c(C)c1 ZINC000075094215 570318622 /nfs/dbraw/zinc/31/86/22/570318622.db2.gz RLIJYDRBTPGSJC-GOEBONIOSA-N 0 0 380.554 4.796 50 0 GJAARN CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)c1 ZINC000002951601 570319841 /nfs/dbraw/zinc/31/98/41/570319841.db2.gz QURVYHBJDSYMNV-UHFFFAOYSA-N 0 0 394.427 4.582 50 0 GJAARN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000023336495 570321377 /nfs/dbraw/zinc/32/13/77/570321377.db2.gz JWUCDAYHXUIVQO-UHFFFAOYSA-N 0 0 389.405 4.952 50 0 GJAARN Fc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000016281939 570322011 /nfs/dbraw/zinc/32/20/11/570322011.db2.gz GUQDTLGCHPXVCS-UHFFFAOYSA-N 0 0 376.460 4.803 50 0 GJAARN Fc1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000002982669 570322549 /nfs/dbraw/zinc/32/25/49/570322549.db2.gz RGZCKYAPSATWTR-UHFFFAOYSA-N 0 0 384.307 4.652 50 0 GJAARN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002984298 570322989 /nfs/dbraw/zinc/32/29/89/570322989.db2.gz WTBXBDIZGDYHIX-UHFFFAOYSA-N 0 0 382.407 4.621 50 0 GJAARN CCOc1ccc(OCCOCCOc2ccc(C)cc2Br)cc1 ZINC000002984894 570323008 /nfs/dbraw/zinc/32/30/08/570323008.db2.gz IQSHQRZIAHOBCP-UHFFFAOYSA-N 0 0 395.293 4.631 50 0 GJAARN CCCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1Cl ZINC000022610625 570323120 /nfs/dbraw/zinc/32/31/20/570323120.db2.gz ZRQGHTXHZWZESM-UHFFFAOYSA-N 0 0 391.851 4.566 50 0 GJAARN COc1ccc(-c2cccc(C(=O)NCCOc3ccccc3Cl)c2)cc1 ZINC000003002941 570325775 /nfs/dbraw/zinc/32/57/75/570325775.db2.gz JFKLYZUPWZKBJP-UHFFFAOYSA-N 0 0 381.859 4.824 50 0 GJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)OCc1ccc(Cl)nc1 ZINC000022748222 570325990 /nfs/dbraw/zinc/32/59/90/570325990.db2.gz IKPZAWQRFCQVFQ-UHFFFAOYSA-N 0 0 392.846 4.524 50 0 GJAARN Cc1ccc(C)c(NC(=O)OCCNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000003087650 570327973 /nfs/dbraw/zinc/32/79/73/570327973.db2.gz CNAINYWIMFQXLD-BBRMVZONSA-N 0 0 399.318 4.559 50 0 GJAARN CN(C)C(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000003100265 570328429 /nfs/dbraw/zinc/32/84/29/570328429.db2.gz PZMOJOUEFASOBL-UHFFFAOYSA-N 0 0 376.909 4.625 50 0 GJAARN CNC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2cc(F)ccc2SC3)cc1 ZINC000050040473 570328823 /nfs/dbraw/zinc/32/88/23/570328823.db2.gz ZXPXACWOFUAQFZ-UHFFFAOYSA-N 0 0 398.484 4.772 50 0 GJAARN COc1ccc(/C=C/C(=O)NCc2nc(C3CCCCC3)cs2)cc1OC ZINC000575607737 570330671 /nfs/dbraw/zinc/33/06/71/570330671.db2.gz BVBPJWVNPYTFHJ-PKNBQFBNSA-N 0 0 386.517 4.538 50 0 GJAARN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1sccc1Br ZINC000158465874 570332451 /nfs/dbraw/zinc/33/24/51/570332451.db2.gz AZMCKKWJIGGPBI-UHFFFAOYSA-N 0 0 382.670 4.602 50 0 GJAARN O=C(Nc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1)c1ccco1 ZINC000023793012 570332739 /nfs/dbraw/zinc/33/27/39/570332739.db2.gz ACEZDTWXGMXBDF-UHFFFAOYSA-N 0 0 389.455 4.775 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c(OC)c1 ZINC000022890784 570333121 /nfs/dbraw/zinc/33/31/21/570333121.db2.gz HRBNSXZNADHOHO-UHFFFAOYSA-N 0 0 395.484 4.514 50 0 GJAARN COc1cc(Nc2nc(N)c(C(=O)c3c(C)cc(C)cc3C)s2)cc(OC)c1 ZINC000032948205 570335565 /nfs/dbraw/zinc/33/55/65/570335565.db2.gz XWEMJOCUEGRVPI-UHFFFAOYSA-N 0 0 397.500 4.642 50 0 GJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000000796988 570337400 /nfs/dbraw/zinc/33/74/00/570337400.db2.gz CJTMOSYUBXKCGE-UHFFFAOYSA-N 0 0 375.453 4.561 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)cc2cccnc21 ZINC000022994166 570339963 /nfs/dbraw/zinc/33/99/63/570339963.db2.gz HCILYYZOKGSWJW-FQEVSTJZSA-N 0 0 391.858 4.791 50 0 GJAARN COc1ccc(Oc2cc(NC(=O)c3ccnc(Cl)c3)ccc2OC)cc1 ZINC000022990319 570339980 /nfs/dbraw/zinc/33/99/80/570339980.db2.gz DEOIPAQSERFRDF-UHFFFAOYSA-N 0 0 384.819 4.797 50 0 GJAARN O=C(NCc1coc(-c2cccs2)n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000010876904 570341988 /nfs/dbraw/zinc/34/19/88/570341988.db2.gz SANQLEYQTCZWGN-UHFFFAOYSA-N 0 0 398.415 4.644 50 0 GJAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(Cl)cc1 ZINC000006219294 570342992 /nfs/dbraw/zinc/34/29/92/570342992.db2.gz RRUPAPKNLGSWQG-UHFFFAOYSA-N 0 0 379.869 4.875 50 0 GJAARN Cc1cc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)no1 ZINC000007820035 570343870 /nfs/dbraw/zinc/34/38/70/570343870.db2.gz UDZFBFSYSGWDIB-UHFFFAOYSA-N 0 0 380.448 4.721 50 0 GJAARN Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)c1 ZINC000032949017 570344223 /nfs/dbraw/zinc/34/42/23/570344223.db2.gz AVEDXALVNAKVSU-NRFANRHFSA-N 0 0 388.467 4.699 50 0 GJAARN Cc1ccccc1[C@H](CC(=O)NCc1ccco1)c1cnc2n1CCC[C@H]2C ZINC000034921235 570345173 /nfs/dbraw/zinc/34/51/73/570345173.db2.gz SNQASJUXSUFJFG-XLIONFOSSA-N 0 0 377.488 4.520 50 0 GJAARN Cc1ccccc1[C@@H](CC(=O)NCc1ccco1)c1cnc2n1CCC[C@H]2C ZINC000034921232 570345262 /nfs/dbraw/zinc/34/52/62/570345262.db2.gz SNQASJUXSUFJFG-YLJYHZDGSA-N 0 0 377.488 4.520 50 0 GJAARN Cc1ccc2nc(-c3ccccc3F)c(NC(=O)COCc3ccccc3)n2c1 ZINC000034913035 570346577 /nfs/dbraw/zinc/34/65/77/570346577.db2.gz UDYBOTMNBSAPKJ-UHFFFAOYSA-N 0 0 389.430 4.604 50 0 GJAARN O=C(CSc1ccccc1)Nc1c(-c2cccc(F)c2)nc2ccccn21 ZINC000034913246 570346833 /nfs/dbraw/zinc/34/68/33/570346833.db2.gz NPRPNNJWEWZUNF-UHFFFAOYSA-N 0 0 377.444 4.871 50 0 GJAARN O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399422 570349783 /nfs/dbraw/zinc/34/97/83/570349783.db2.gz RNDXFBLGBXVVLY-UHFFFAOYSA-N 0 0 377.875 4.688 50 0 biogenic GJAARN O=C(c1cccc(Cl)c1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399390 570349803 /nfs/dbraw/zinc/34/98/03/570349803.db2.gz TZSDIWQFNOBHAU-UHFFFAOYSA-N 0 0 377.875 4.688 50 0 biogenic GJAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCSC2=O)cc1 ZINC000023200000 570350143 /nfs/dbraw/zinc/35/01/43/570350143.db2.gz SCBHQVMMXVGIHL-UHFFFAOYSA-N 0 0 376.865 4.548 50 0 GJAARN Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000063957373 570350879 /nfs/dbraw/zinc/35/08/79/570350879.db2.gz DFVRBLAHLYZWSE-UHFFFAOYSA-N 0 0 390.534 4.526 50 0 GJAARN O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2ccc(F)cc2)o1 ZINC000023266143 570353324 /nfs/dbraw/zinc/35/33/24/570353324.db2.gz QTPVODMHVRIBML-UHFFFAOYSA-N 0 0 382.322 4.632 50 0 GJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(F)cc1 ZINC000004043282 570355580 /nfs/dbraw/zinc/35/55/80/570355580.db2.gz IFCAFRKWNCSKFI-UHFFFAOYSA-N 0 0 399.443 4.992 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000008074435 570355821 /nfs/dbraw/zinc/35/58/21/570355821.db2.gz MFXLCZXZDGKAHR-QFIPXVFZSA-N 0 0 375.472 4.638 50 0 GJAARN COc1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2SC)cc1Cl ZINC000004883006 570355969 /nfs/dbraw/zinc/35/59/69/570355969.db2.gz SIBSVPSOKHVCDZ-DHDCSXOGSA-N 0 0 376.840 4.594 50 0 GJAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@H](c1ccsc1)c1cccs1 ZINC000390826496 570356469 /nfs/dbraw/zinc/35/64/69/570356469.db2.gz MRFZNGUCTDHGCT-LJQANCHMSA-N 0 0 397.500 4.869 50 0 GJAARN COc1ccccc1CNC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429751 570357553 /nfs/dbraw/zinc/35/75/53/570357553.db2.gz ORRDSWHFCINACG-UHFFFAOYSA-N 0 0 398.466 4.620 50 0 GJAARN CCc1ccc(Nc2nc(C(=O)NCc3ccc(C)o3)nc3ccccc32)cc1 ZINC000035430062 570358119 /nfs/dbraw/zinc/35/81/19/570358119.db2.gz HDLNBMLVPGQZBH-UHFFFAOYSA-N 0 0 386.455 4.767 50 0 GJAARN CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430101 570358127 /nfs/dbraw/zinc/35/81/27/570358127.db2.gz FDSKKATZGAHHNW-UHFFFAOYSA-N 0 0 386.430 4.785 50 0 GJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@H]4C)c(C)c3C(=O)C2)cc1 ZINC000004134286 570358961 /nfs/dbraw/zinc/35/89/61/570358961.db2.gz WAMNGGJBOLUWGH-PSGMQZRDSA-N 0 0 381.472 4.590 50 0 GJAARN COc1ccc(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1OC ZINC000000810602 570359358 /nfs/dbraw/zinc/35/93/58/570359358.db2.gz VLKSGSBHWUFAED-UHFFFAOYSA-N 0 0 385.847 4.590 50 0 GJAARN COc1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)c(OC)c1 ZINC000004904841 570361012 /nfs/dbraw/zinc/36/10/12/570361012.db2.gz UXBLRLPFCXDPFF-UHFFFAOYSA-N 0 0 378.428 4.547 50 0 GJAARN Cc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)c1 ZINC000004903535 570361045 /nfs/dbraw/zinc/36/10/45/570361045.db2.gz PKQGAMQAVLREFR-UHFFFAOYSA-N 0 0 395.260 4.916 50 0 GJAARN Fc1ccc(-c2nnc(CN3CCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023409322 570361321 /nfs/dbraw/zinc/36/13/21/570361321.db2.gz QHSRQQPZKOAHGR-MRXNPFEDSA-N 0 0 380.448 4.823 50 0 GJAARN CCN1CCSc2ccc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc21 ZINC000004908672 570361723 /nfs/dbraw/zinc/36/17/23/570361723.db2.gz PNRXBIFTLJKBII-LRYXAPPNSA-N 0 0 384.589 4.953 50 0 GJAARN CC[C@H](C)NC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000004910018 570361939 /nfs/dbraw/zinc/36/19/39/570361939.db2.gz MWPLRNMIURWZGE-AWEZNQCLSA-N 0 0 379.460 4.524 50 0 GJAARN CC1(C)[C@@]2(C(=O)Nc3ccccc3Sc3ccccc3)CC[C@]1(C)C(=O)O2 ZINC000004185286 570362019 /nfs/dbraw/zinc/36/20/19/570362019.db2.gz HLUUFFCBFRTJKO-YADHBBJMSA-N 0 0 381.497 4.898 50 0 GJAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1csc(-c2ccccc2)n1 ZINC000390830009 570363205 /nfs/dbraw/zinc/36/32/05/570363205.db2.gz ICOLZLLYDDHWGG-MRXNPFEDSA-N 0 0 396.493 4.595 50 0 GJAARN COc1cccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccccc2OC)c1 ZINC000004913414 570363493 /nfs/dbraw/zinc/36/34/93/570363493.db2.gz KISGPDIBMONDPR-HSZRJFAPSA-N 0 0 398.462 4.945 50 0 GJAARN Cc1nnc(-c2ccccc2-c2cccc(-c3ccn(C[C@H]4CCCO4)n3)c2)o1 ZINC000023479113 570363758 /nfs/dbraw/zinc/36/37/58/570363758.db2.gz LJZQYTIMTXFTFI-LJQANCHMSA-N 0 0 386.455 4.755 50 0 GJAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(C)nc2)c1 ZINC000023508800 570364460 /nfs/dbraw/zinc/36/44/60/570364460.db2.gz GBKGGFJPTSVJTC-GOSISDBHSA-N 0 0 387.483 4.752 50 0 GJAARN O=C(OCc1ccccc1)c1nc2ccccc2nc1NCCc1ccccc1 ZINC000035463212 570364554 /nfs/dbraw/zinc/36/45/54/570364554.db2.gz JUYKQRFMUSCFAQ-UHFFFAOYSA-N 0 0 383.451 4.641 50 0 GJAARN COc1ccc(OC)c2c(C)cc(N3CCN(c4ccc(Cl)cc4)CC3)nc12 ZINC000023550088 570365425 /nfs/dbraw/zinc/36/54/25/570365425.db2.gz HBFLDNNYRUZOBZ-UHFFFAOYSA-N 0 0 397.906 4.540 50 0 GJAARN COc1cccc2cc(C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)oc21 ZINC000575619220 570366922 /nfs/dbraw/zinc/36/69/22/570366922.db2.gz ISPYWGLXCVPCBW-UHFFFAOYSA-N 0 0 387.439 4.894 50 0 GJAARN CC[C@H]1CN(C(=O)c2ccc(-c3noc(C)n3)cc2)c2cc(Cl)ccc2O1 ZINC000035479760 570367733 /nfs/dbraw/zinc/36/77/33/570367733.db2.gz PQJYYNNQWUYACJ-INIZCTEOSA-N 0 0 383.835 4.516 50 0 GJAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000004324498 570367855 /nfs/dbraw/zinc/36/78/55/570367855.db2.gz XNNWOAUETYRJDS-UHFFFAOYSA-N 0 0 387.951 4.757 50 0 GJAARN O=C(NCc1cncc(C2CC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000575620576 570369430 /nfs/dbraw/zinc/36/94/30/570369430.db2.gz OMFFSNZDGORTDQ-UHFFFAOYSA-N 0 0 388.311 4.927 50 0 GJAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccc(Cl)cc1 ZINC000004387717 570372792 /nfs/dbraw/zinc/37/27/92/570372792.db2.gz KWYXKSBXXCRKIY-UHFFFAOYSA-N 0 0 389.234 4.850 50 0 GJAARN Cc1ccc(-c2csc3[nH]c(CN4CCc5ccccc5C4)nc(=O)c23)s1 ZINC000023909309 570375099 /nfs/dbraw/zinc/37/50/99/570375099.db2.gz NZRTZVGYEGOFHW-UHFFFAOYSA-N 0 0 393.537 4.580 50 0 GJAARN O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O ZINC000000822916 570375523 /nfs/dbraw/zinc/37/55/23/570375523.db2.gz WQNAJUFIZRHHDS-UHFFFAOYSA-N 0 0 377.399 4.871 50 0 GJAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)Nc1cccs1 ZINC000022767063 570376552 /nfs/dbraw/zinc/37/65/52/570376552.db2.gz GIWCEAPHBJUTHM-SFHVURJKSA-N 0 0 383.542 4.731 50 0 GJAARN COc1ccc(Nc2c(=O)n(C)c3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000000826578 570376879 /nfs/dbraw/zinc/37/68/79/570376879.db2.gz SYYIEKYLZDJBMY-UHFFFAOYSA-N 0 0 382.419 4.502 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NCc1cc(-c2cc3ccccc3o2)on1 ZINC000022768700 570376889 /nfs/dbraw/zinc/37/68/89/570376889.db2.gz OTYDQAPHAFYJPL-UHFFFAOYSA-N 0 0 382.803 4.680 50 0 GJAARN CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC ZINC000022763388 570378286 /nfs/dbraw/zinc/37/82/86/570378286.db2.gz ICXZVROMPQXHRB-BVPRHBRVSA-N 0 0 385.426 4.735 50 0 GJAARN CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)c1 ZINC000024101393 570378810 /nfs/dbraw/zinc/37/88/10/570378810.db2.gz WBLFVRGJYUFKKQ-UHFFFAOYSA-N 0 0 380.469 4.742 50 0 GJAARN OC[C@@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)Cc1ccco1 ZINC000024205952 570380417 /nfs/dbraw/zinc/38/04/17/570380417.db2.gz CVFSTMALWUKXCD-CYBMUJFWSA-N 0 0 399.903 4.868 50 0 GJAARN CCOc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 ZINC000024251117 570381193 /nfs/dbraw/zinc/38/11/93/570381193.db2.gz KGFNSKITZAGWJM-UHFFFAOYSA-N 0 0 393.340 4.681 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000024395588 570383496 /nfs/dbraw/zinc/38/34/96/570383496.db2.gz CJDSBBGMNDJSDP-UHFFFAOYSA-N 0 0 396.494 4.629 50 0 GJAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)([C@H](C)C(=O)c3ccccc3)C2=O)c1 ZINC000004556270 570384382 /nfs/dbraw/zinc/38/43/82/570384382.db2.gz BSENLHIMHJMTQX-NIYFSFCBSA-N 0 0 399.490 4.557 50 0 GJAARN Cc1nc2c(cnn2-c2ccccc2Cl)c(=O)n1-c1ccc(C(C)C)cc1 ZINC000004971938 570386676 /nfs/dbraw/zinc/38/66/76/570386676.db2.gz NDAZNPDNGBGAHB-UHFFFAOYSA-N 0 0 378.863 4.657 50 0 GJAARN Cc1cc(F)cc2c(O)c(C(=O)N3CCc4cc(-c5ccccc5)ccc43)cnc12 ZINC000122675640 570387063 /nfs/dbraw/zinc/38/70/63/570387063.db2.gz KKQQYAZJPQKCNQ-UHFFFAOYSA-N 0 0 398.437 4.846 50 0 GJAARN COc1ccc(CNc2nc(-c3ccc(Cl)cc3)nn2C(=O)C(C)C)cc1 ZINC000006325178 570389177 /nfs/dbraw/zinc/38/91/77/570389177.db2.gz KSPRLUMESUTTTO-UHFFFAOYSA-N 0 0 384.867 4.515 50 0 GJAARN CCOc1ccccc1NC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2 ZINC000035534857 570390134 /nfs/dbraw/zinc/39/01/34/570390134.db2.gz ZKUVFHFHQZIMSY-UHFFFAOYSA-N 0 0 399.903 4.997 50 0 GJAARN Cc1ccc(C[C@H](C)CC(=O)Nc2ccccc2I)cc1 ZINC000033663933 570393390 /nfs/dbraw/zinc/39/33/90/570393390.db2.gz LXJIZJDQOMEKOW-AWEZNQCLSA-N 0 0 393.268 4.807 50 0 GJAARN CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000004700282 570394599 /nfs/dbraw/zinc/39/45/99/570394599.db2.gz CZIBUGFEGSKNGQ-IBGZPJMESA-N 0 0 394.515 4.590 50 0 GJAARN COc1ccc(CN(C(=O)CCCc2nc3ccccc3s2)C2CC2)cc1 ZINC000024830411 570394769 /nfs/dbraw/zinc/39/47/69/570394769.db2.gz BJQSMCXFOLYJGV-UHFFFAOYSA-N 0 0 380.513 4.819 50 0 GJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1cccc(N(C)C)c1 ZINC000035555050 570395563 /nfs/dbraw/zinc/39/55/63/570395563.db2.gz YACHNWHBCNPDJH-UHFFFAOYSA-N 0 0 382.489 4.692 50 0 GJAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)C1(C)C ZINC000004721855 570397589 /nfs/dbraw/zinc/39/75/89/570397589.db2.gz DOAPFWMHYCYJDH-LEWJYISDSA-N 0 0 376.500 4.794 50 0 GJAARN CCn1c(C)cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1C ZINC000024890577 570397590 /nfs/dbraw/zinc/39/75/90/570397590.db2.gz UOPRMWPYFWCUAE-UHFFFAOYSA-N 0 0 379.485 4.925 50 0 GJAARN COc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1 ZINC000004722164 570397882 /nfs/dbraw/zinc/39/78/82/570397882.db2.gz NODRAQUYMLCHEQ-UHFFFAOYSA-N 0 0 377.396 4.864 50 0 GJAARN COc1cc2c(cc1NC(=O)COC(=O)C1CCCCC1)oc1ccccc12 ZINC000006376622 570398768 /nfs/dbraw/zinc/39/87/68/570398768.db2.gz FAJSZQGXEOKTKU-UHFFFAOYSA-N 0 0 381.428 4.657 50 0 GJAARN Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004733705 570399089 /nfs/dbraw/zinc/39/90/89/570399089.db2.gz UMMMQPSDPMZUED-UHFFFAOYSA-N 0 0 393.830 4.875 50 0 GJAARN O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(N3CCc4ccccc43)ncc21 ZINC000004747487 570402153 /nfs/dbraw/zinc/40/21/53/570402153.db2.gz WHWUZVCVDRVYCA-MRXNPFEDSA-N 0 0 375.859 4.737 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000024992878 570402627 /nfs/dbraw/zinc/40/26/27/570402627.db2.gz MFMBRYGYWZTJSP-UHFFFAOYSA-N 0 0 386.860 4.659 50 0 GJAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)NC1CCCC1 ZINC000005040047 570402723 /nfs/dbraw/zinc/40/27/23/570402723.db2.gz CSNQRXOAYNQMFQ-UHFFFAOYSA-N 0 0 387.505 4.648 50 0 GJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C1CCCCC1 ZINC000024992780 570402732 /nfs/dbraw/zinc/40/27/32/570402732.db2.gz ZEFRPTBRDQZSAB-UHFFFAOYSA-N 0 0 396.491 4.710 50 0 GJAARN CC(C)CCNC(=O)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000033257001 570404616 /nfs/dbraw/zinc/40/46/16/570404616.db2.gz HBIFEVHSNHQMHV-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN c1ccc(-c2nc(Sc3n[nH]c(-c4ccncc4)n3)nc3ccccc32)cc1 ZINC000025062912 570405171 /nfs/dbraw/zinc/40/51/71/570405171.db2.gz NLMQWUZSSDJSAB-UHFFFAOYSA-N 0 0 382.452 4.628 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000012981334 570406555 /nfs/dbraw/zinc/40/65/55/570406555.db2.gz GAHVARDOJSGTHD-UHFFFAOYSA-N 0 0 387.357 4.617 50 0 GJAARN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Br)ccc1Cl ZINC000025047752 570409040 /nfs/dbraw/zinc/40/90/40/570409040.db2.gz PWYZMUFISROIEY-JQWIXIFHSA-N 0 0 384.623 4.953 50 0 GJAARN C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccccc1 ZINC000004821872 570408818 /nfs/dbraw/zinc/40/88/18/570408818.db2.gz WYSHBFHFJNIXIG-JTSKRJEESA-N 0 0 390.464 4.767 50 0 GJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C ZINC000004821260 570408871 /nfs/dbraw/zinc/40/88/71/570408871.db2.gz XDCBTRJVMNZXAZ-UHFFFAOYSA-N 0 0 394.544 4.646 50 0 GJAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccccc1Br ZINC000040106914 570409846 /nfs/dbraw/zinc/40/98/46/570409846.db2.gz OUHFIJCVOFTOES-PKNBQFBNSA-N 0 0 399.288 4.758 50 0 GJAARN NC(=O)c1cccc(NC(=O)c2ccc(/C=C/c3ccc4ccccc4n3)cc2)c1 ZINC000040151270 570410141 /nfs/dbraw/zinc/41/01/41/570410141.db2.gz QCBYVEGODQTMRE-GXDHUFHOSA-N 0 0 393.446 4.756 50 0 GJAARN Cc1ccsc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025356284 570411580 /nfs/dbraw/zinc/41/15/80/570411580.db2.gz MFHRCCUZANJNCJ-UHFFFAOYSA-N 0 0 376.525 4.604 50 0 GJAARN Cc1ccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3C)cc1C ZINC000072238763 570411695 /nfs/dbraw/zinc/41/16/95/570411695.db2.gz JIRIQGFUDJNGGE-UHFFFAOYSA-N 0 0 392.894 4.989 50 0 GJAARN Cn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1)CCCC3 ZINC000005070783 570412315 /nfs/dbraw/zinc/41/23/15/570412315.db2.gz GGASIZHTBMTNAB-UHFFFAOYSA-N 0 0 376.934 4.820 50 0 GJAARN COc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4o2)CSC3)cc1 ZINC000005077532 570413238 /nfs/dbraw/zinc/41/32/38/570413238.db2.gz UHWPRDXXRLKGNH-UHFFFAOYSA-N 0 0 391.452 4.626 50 0 GJAARN Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2ccccc2C)c1C ZINC000004869799 570414546 /nfs/dbraw/zinc/41/45/46/570414546.db2.gz XAPTYYGXWPEZGN-UHFFFAOYSA-N 0 0 388.467 4.882 50 0 GJAARN O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccc(F)cc2)on1 ZINC000004880460 570414857 /nfs/dbraw/zinc/41/48/57/570414857.db2.gz JWLHUEWZYWHOMY-UHFFFAOYSA-N 0 0 397.150 4.774 50 0 GJAARN CC(=O)N(c1nnc(SC(c2ccccc2)c2ccccc2)s1)C1CC1 ZINC000013001572 570414906 /nfs/dbraw/zinc/41/49/06/570414906.db2.gz OSAAZBBBMOAMKW-UHFFFAOYSA-N 0 0 381.526 4.935 50 0 GJAARN COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 ZINC000004881152 570415128 /nfs/dbraw/zinc/41/51/28/570415128.db2.gz NDPMBPIUTDCQAN-UHFFFAOYSA-N 0 0 377.227 4.587 50 0 GJAARN COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c1 ZINC000025583313 570416305 /nfs/dbraw/zinc/41/63/05/570416305.db2.gz NWOGZKVGKUPAQP-QPPBQGQZSA-N 0 0 386.451 4.946 50 0 GJAARN CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 ZINC000005100903 570417485 /nfs/dbraw/zinc/41/74/85/570417485.db2.gz UMBFGWSVXWGLKB-RLWLMLJZSA-N 0 0 375.449 4.896 50 0 GJAARN Cc1cc2sc(N3CCC[C@H](C(=O)NC4CCC(C)CC4)C3)nc2c(C)c1 ZINC000005107699 570418433 /nfs/dbraw/zinc/41/84/33/570418433.db2.gz KDBJXCVCBCYIMU-GMXGEUMGSA-N 0 0 385.577 4.824 50 0 GJAARN Cc1cccc(O[C@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn32)c1 ZINC000025740166 570418887 /nfs/dbraw/zinc/41/88/87/570418887.db2.gz GVMGEQMVRQPJQV-OAHLLOKOSA-N 0 0 377.469 4.777 50 0 GJAARN CCc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000013021879 570419340 /nfs/dbraw/zinc/41/93/40/570419340.db2.gz KEAXYUPHQLUYAG-LBPRGKRZSA-N 0 0 396.270 4.505 50 0 GJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)s2)c2ccccc2)c1 ZINC000005110725 570419699 /nfs/dbraw/zinc/41/96/99/570419699.db2.gz ATTWPHBSNZFPOW-IBGZPJMESA-N 0 0 381.453 4.602 50 0 GJAARN Cc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)c3ccccc3)CC2=O)cc1 ZINC000005123485 570420720 /nfs/dbraw/zinc/42/07/20/570420720.db2.gz DYMCWIUYKMLRJV-OAQYLSRUSA-N 0 0 399.494 4.517 50 0 GJAARN O=C(COc1ccccc1Cl)NN=C(Cc1ccccc1)Cc1ccccc1 ZINC000044672299 570421384 /nfs/dbraw/zinc/42/13/84/570421384.db2.gz LTXYPYIHOVAJHE-UHFFFAOYSA-N 0 0 392.886 4.676 50 0 GJAARN COc1ccc([C@@H](CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)C(C)C)cc1 ZINC000001762298 570422247 /nfs/dbraw/zinc/42/22/47/570422247.db2.gz ZBDKQYVXGDKTGI-QFIPXVFZSA-N 0 0 399.531 4.891 50 0 GJAARN Cc1cccc(C)c1NC(=O)Nc1ccc(N2CCCC2)c(C(=O)NC(C)C)c1 ZINC000035706743 570423672 /nfs/dbraw/zinc/42/36/72/570423672.db2.gz YGZDSNNMIRQAEA-UHFFFAOYSA-N 0 0 394.519 4.686 50 0 GJAARN C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000005016483 570424135 /nfs/dbraw/zinc/42/41/35/570424135.db2.gz WHFYBBZNXYPTBL-JTQLQIEISA-N 0 0 375.544 4.751 50 0 GJAARN CCOc1ccc(-c2csc3ncn(CCOc4ccccc4)c(=O)c23)cc1 ZINC000001787564 570424655 /nfs/dbraw/zinc/42/46/55/570424655.db2.gz HMMCXIHLJBXCOQ-UHFFFAOYSA-N 0 0 392.480 4.603 50 0 GJAARN COc1ccc(N(C)C(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1OC ZINC000064321972 570425378 /nfs/dbraw/zinc/42/53/78/570425378.db2.gz MVTSUJRYXRUAPD-UHFFFAOYSA-N 0 0 388.423 4.789 50 0 GJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)c1 ZINC000005143242 570425666 /nfs/dbraw/zinc/42/56/66/570425666.db2.gz TUMMYJOEZSOHAQ-ZJSXRUAMSA-N 0 0 386.451 4.946 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005144452 570426628 /nfs/dbraw/zinc/42/66/28/570426628.db2.gz SPIRNLTVZIYVPG-UHFFFAOYSA-N 0 0 385.920 4.870 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000026758889 570428379 /nfs/dbraw/zinc/42/83/79/570428379.db2.gz HCPXQBCAVHACSL-CYBMUJFWSA-N 0 0 392.450 4.593 50 0 GJAARN CCOc1ccccc1NC(=O)c1sc(=S)n(-c2ccccc2F)c1N ZINC000032952207 570429417 /nfs/dbraw/zinc/42/94/17/570429417.db2.gz TZUVUWPOCLHJEK-UHFFFAOYSA-N 0 0 389.477 4.641 50 0 GJAARN CCOc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1 ZINC000005102601 570429473 /nfs/dbraw/zinc/42/94/73/570429473.db2.gz DFSZGKBKTSFQPG-UHFFFAOYSA-N 0 0 380.307 4.720 50 0 GJAARN Cc1ccc(NC(=O)N[C@H]2[C@@H]3CCCC[C@@H]32)cc1NC(=O)N[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000239637046 570430379 /nfs/dbraw/zinc/43/03/79/570430379.db2.gz BILSWOJHKFDVQL-VUGINNAHSA-N 0 0 396.535 4.615 50 0 GJAARN CCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1 ZINC000011738253 570431205 /nfs/dbraw/zinc/43/12/05/570431205.db2.gz ZLKJGKMMRVVABP-UHFFFAOYSA-N 0 0 388.254 4.693 50 0 GJAARN COc1ccc(NC(=O)c2c3ccccc3nnc2-c2ccccc2)cc1OC ZINC000032953016 570431478 /nfs/dbraw/zinc/43/14/78/570431478.db2.gz NNPBQNOPANCNHN-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(C(=O)C(C)(C)C)CC2 ZINC000022652740 570431718 /nfs/dbraw/zinc/43/17/18/570431718.db2.gz KYKKQBDFOYIWMS-FQEVSTJZSA-N 0 0 387.907 4.877 50 0 GJAARN O=C(Nc1ccc(OC[C@@H](O)c2ccccc2F)cc1)c1ccccc1Cl ZINC000027212298 570432429 /nfs/dbraw/zinc/43/24/29/570432429.db2.gz NCPFPFMMAFHMGS-HXUWFJFHSA-N 0 0 385.822 4.844 50 0 GJAARN O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1occc1Br ZINC000176475643 570436475 /nfs/dbraw/zinc/43/64/75/570436475.db2.gz HTESBXITFTVQIT-UHFFFAOYSA-N 0 0 385.189 4.696 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2oc3cc(Br)ccc3c2C)c1 ZINC000027663341 570438707 /nfs/dbraw/zinc/43/87/07/570438707.db2.gz GGRJABVNVQEACW-UHFFFAOYSA-N 0 0 390.233 4.773 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)c(C)c2)cc1 ZINC000027746619 570441633 /nfs/dbraw/zinc/44/16/33/570441633.db2.gz KLICDEAGJDUVSZ-UHFFFAOYSA-N 0 0 395.459 4.875 50 0 GJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1 ZINC000027778887 570442464 /nfs/dbraw/zinc/44/24/64/570442464.db2.gz GCULODNJWJVPCF-CYBMUJFWSA-N 0 0 384.505 4.700 50 0 GJAARN CN1CCC(=C2c3cc(Br)sc3C(=O)Cc3ccccc32)CC1 ZINC000005525389 570444240 /nfs/dbraw/zinc/44/42/40/570444240.db2.gz MXGSWUZNIPJDMX-UHFFFAOYSA-N 0 0 388.330 4.777 50 0 GJAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCO[C@@H](c2ccccc2)C1 ZINC000027899797 570444712 /nfs/dbraw/zinc/44/47/12/570444712.db2.gz PABGWWMFLVAQEF-XMMPIXPASA-N 0 0 395.462 4.511 50 0 GJAARN Cc1nc2ccc3nc(NC(=O)c4cc(=O)c5ccccc5o4)sc3c2s1 ZINC000006479842 570447853 /nfs/dbraw/zinc/44/78/53/570447853.db2.gz LAGSJOJEENUOLP-UHFFFAOYSA-N 0 0 393.449 4.573 50 0 GJAARN Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccccc3Cl)n2c2ccccc12 ZINC000001924445 570450086 /nfs/dbraw/zinc/45/00/86/570450086.db2.gz TZXZUUTXCZTSTF-CYBMUJFWSA-N 0 0 396.903 4.964 50 0 GJAARN CC(C)[C@@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2n1C ZINC000223228842 570451561 /nfs/dbraw/zinc/45/15/61/570451561.db2.gz RTWXPZIAYOSNBQ-JOCHJYFZSA-N 0 0 392.547 4.938 50 0 GJAARN COc1ccc(-c2cc(C(=O)Oc3ccc(C=O)cc3)c3ccccc3n2)cc1 ZINC000001173566 570452823 /nfs/dbraw/zinc/45/28/23/570452823.db2.gz WHIJCZHWNUDAAG-UHFFFAOYSA-N 0 0 383.403 4.942 50 0 biogenic GJAARN COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000001177511 570453028 /nfs/dbraw/zinc/45/30/28/570453028.db2.gz IPVGKLGXVNVFSI-UHFFFAOYSA-N 0 0 386.403 4.826 50 0 biogenic GJAARN O=c1[nH]c(-c2cccc(Br)c2)nc2sc3c(c21)CCCCC3 ZINC000005728863 570453643 /nfs/dbraw/zinc/45/36/43/570453643.db2.gz PIIYXVDVTHQQPW-UHFFFAOYSA-N 0 0 375.291 4.683 50 0 GJAARN COc1ccc2c(c1)OC[C@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)C2 ZINC000089467013 570454152 /nfs/dbraw/zinc/45/41/52/570454152.db2.gz GOJDNHKGDZYNSC-MRXNPFEDSA-N 0 0 393.414 4.816 50 0 GJAARN Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(C)cc(C)c4o3)n2)s1 ZINC000028291178 570456104 /nfs/dbraw/zinc/45/61/04/570456104.db2.gz UIWCAFKEBWUTOC-UHFFFAOYSA-N 0 0 397.481 4.551 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1nc2ccccc2nc1N1CCCCC1 ZINC000032958390 570460696 /nfs/dbraw/zinc/46/06/96/570460696.db2.gz AFISYYHDWZFARN-UHFFFAOYSA-N 0 0 396.878 4.534 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCCCCC1 ZINC000028644457 570462208 /nfs/dbraw/zinc/46/22/08/570462208.db2.gz RUWGXKKLACXOBU-UHFFFAOYSA-N 0 0 380.319 4.999 50 0 GJAARN COc1ccccc1Nc1c2c(nc3nc(Cc4ccc(C)cc4)nn31)CCCC2 ZINC000064449943 570464857 /nfs/dbraw/zinc/46/48/57/570464857.db2.gz WCRHRIIVZYYBOO-UHFFFAOYSA-N 0 0 399.498 4.655 50 0 GJAARN Cc1csc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)c1 ZINC000042380227 570466210 /nfs/dbraw/zinc/46/62/10/570466210.db2.gz HXYXUBQEKNWIDR-ZDUSSCGKSA-N 0 0 387.505 4.734 50 0 GJAARN CC(C)(C)NC(=O)Nc1c(N)n(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000035868123 570466563 /nfs/dbraw/zinc/46/65/63/570466563.db2.gz BLVQSBDQGQYMPD-UHFFFAOYSA-N 0 0 383.883 4.695 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3Cl)n2)cc1OC ZINC000029147302 570469311 /nfs/dbraw/zinc/46/93/11/570469311.db2.gz QVCOXIHWSPGYBR-UHFFFAOYSA-N 0 0 392.839 4.872 50 0 GJAARN CCCCCCOC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000002023878 570470696 /nfs/dbraw/zinc/47/06/96/570470696.db2.gz HUEHDYALRVJPSQ-UHFFFAOYSA-N 0 0 395.249 4.998 50 0 biogenic GJAARN O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Oc2ccncc2)cc1 ZINC000072284644 570473821 /nfs/dbraw/zinc/47/38/21/570473821.db2.gz ICXIVNRANVOLQW-UHFFFAOYSA-N 0 0 384.395 4.709 50 0 GJAARN Cc1noc(CSc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 ZINC000029566452 570476033 /nfs/dbraw/zinc/47/60/33/570476033.db2.gz OXYNDXMWGPYIMH-UHFFFAOYSA-N 0 0 377.828 4.715 50 0 GJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000006553149 570476223 /nfs/dbraw/zinc/47/62/23/570476223.db2.gz DFRXKGQCMYNBDP-UHFFFAOYSA-N 0 0 385.489 4.877 50 0 GJAARN CCC(NCc1ccc(Cl)cc1)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000006419630 570479405 /nfs/dbraw/zinc/47/94/05/570479405.db2.gz UCAAVTTYMVEVNC-MSUUIHNZSA-N 0 0 375.255 4.708 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)[C@@H]1C ZINC000006586401 570484076 /nfs/dbraw/zinc/48/40/76/570484076.db2.gz ZZFHFFUXAZDPBV-CBGDNZLLSA-N 0 0 381.472 4.577 50 0 GJAARN O=C(COc1ccccc1C1SCCS1)N[C@@H]1CCCc2ccccc21 ZINC000006586302 570484130 /nfs/dbraw/zinc/48/41/30/570484130.db2.gz ZMMFAVIFCCDVJY-GOSISDBHSA-N 0 0 385.554 4.738 50 0 GJAARN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)/C=C\c1ccc(F)cc1 ZINC000207877237 570486105 /nfs/dbraw/zinc/48/61/05/570486105.db2.gz MMCUFCDIOCPSBL-SZRHCGQDSA-N 0 0 375.447 4.908 50 0 GJAARN O=C(NCCc1ccccc1)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1 ZINC000064578327 570487515 /nfs/dbraw/zinc/48/75/15/570487515.db2.gz DUOWXHQMLDJNAJ-UHFFFAOYSA-N 0 0 395.462 4.908 50 0 biogenic GJAARN Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000030470982 570489512 /nfs/dbraw/zinc/48/95/12/570489512.db2.gz KZWRCNRWHWLYLY-UHFFFAOYSA-N 0 0 380.444 4.507 50 0 GJAARN CCCOc1ccc(-c2csc(NC(=O)c3cccc(OC)c3OC)n2)cc1 ZINC000005169349 570490668 /nfs/dbraw/zinc/49/06/68/570490668.db2.gz XEQVFSICKNTSHQ-UHFFFAOYSA-N 0 0 398.484 4.868 50 0 GJAARN Cc1nnc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 ZINC000005168877 570490752 /nfs/dbraw/zinc/49/07/52/570490752.db2.gz JEWNLOLLMZZRKP-UHFFFAOYSA-N 0 0 398.253 4.659 50 0 GJAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000006732364 570491179 /nfs/dbraw/zinc/49/11/79/570491179.db2.gz VHMACOSVMDYEOX-SANMLTNESA-N 0 0 399.490 4.565 50 0 aggregator GJAARN CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000006732365 570491263 /nfs/dbraw/zinc/49/12/63/570491263.db2.gz VHMACOSVMDYEOX-AREMUKBSSA-N 0 0 399.490 4.565 50 0 aggregator GJAARN O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCOc2ccccc21 ZINC000030578086 570491989 /nfs/dbraw/zinc/49/19/89/570491989.db2.gz WVTBXKUIQBYWAE-UHFFFAOYSA-N 0 0 378.042 4.734 50 0 GJAARN CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)cc1 ZINC000005174928 570493464 /nfs/dbraw/zinc/49/34/64/570493464.db2.gz OGGCQBCQZBPTOP-UHFFFAOYSA-N 0 0 392.484 4.563 50 0 GJAARN CCOc1ccc(-c2nc(NC(=O)c3cc(OC)cc(OC)c3)sc2C)cc1 ZINC000002640663 570501835 /nfs/dbraw/zinc/50/18/35/570501835.db2.gz SLJBXMZSNDOGCK-UHFFFAOYSA-N 0 0 398.484 4.787 50 0 GJAARN Cc1cccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(N3CCCC3)n2)c1 ZINC000035988556 570504855 /nfs/dbraw/zinc/50/48/55/570504855.db2.gz CWRKKAHKYNTMLI-GOSISDBHSA-N 0 0 386.499 4.543 50 0 GJAARN CC[C@H](C)Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 ZINC000002706189 570505830 /nfs/dbraw/zinc/50/58/30/570505830.db2.gz ZJSLUKCWCVXTFS-LBPRGKRZSA-N 0 0 391.953 4.894 50 0 GJAARN Cc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 ZINC000002707217 570506194 /nfs/dbraw/zinc/50/61/94/570506194.db2.gz OTINGDSTQHQADC-FGZHOGPDSA-N 0 0 398.491 4.861 50 0 GJAARN O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002707847 570506606 /nfs/dbraw/zinc/50/66/06/570506606.db2.gz BDUJZXAONDGYQP-UHFFFAOYSA-N 0 0 376.239 4.833 50 0 GJAARN Cc1cccc(CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c1 ZINC000002719965 570508430 /nfs/dbraw/zinc/50/84/30/570508430.db2.gz AZWQBUGHCDBDDE-UHFFFAOYSA-N 0 0 384.501 4.621 50 0 GJAARN COc1ccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000002723195 570508901 /nfs/dbraw/zinc/50/89/01/570508901.db2.gz XLDXCLYRFMJWCN-UHFFFAOYSA-N 0 0 381.501 4.537 50 0 GJAARN O=C(NCc1cccnc1)c1cnn(-c2cccc(Cl)c2)c1-c1ccccc1 ZINC000036016358 570511599 /nfs/dbraw/zinc/51/15/99/570511599.db2.gz OYQUHCJPVDKNFR-UHFFFAOYSA-N 0 0 388.858 4.518 50 0 GJAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)no2)cc1C ZINC000032622959 570512420 /nfs/dbraw/zinc/51/24/20/570512420.db2.gz YVJYOVKMGLLYAP-HXUWFJFHSA-N 0 0 393.487 4.508 50 0 GJAARN CCCc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000064660445 570513227 /nfs/dbraw/zinc/51/32/27/570513227.db2.gz XSTORQGUQGWDCT-UHFFFAOYSA-N 0 0 398.553 4.510 50 0 GJAARN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc32)cc1 ZINC000072302711 570513483 /nfs/dbraw/zinc/51/34/83/570513483.db2.gz NWWSTOBPORBPLO-SFHVURJKSA-N 0 0 386.495 4.913 50 0 GJAARN CC(=O)Nc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000006640471 570513610 /nfs/dbraw/zinc/51/36/10/570513610.db2.gz OQNZQTVNLJDBEY-JOCHJYFZSA-N 0 0 397.478 4.688 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C)cc3)cc2s1 ZINC000032959422 570513826 /nfs/dbraw/zinc/51/38/26/570513826.db2.gz SGAGCLKZNGULMQ-UHFFFAOYSA-N 0 0 381.501 4.915 50 0 GJAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1)c1ccccn1 ZINC000064666718 570514261 /nfs/dbraw/zinc/51/42/61/570514261.db2.gz WLOHQIRFNREDSD-UHFFFAOYSA-N 0 0 387.464 4.608 50 0 GJAARN Cc1ccc(-n2nnc(-c3nc(-c4cccc(Cl)c4)cs3)c2N)cc1C ZINC000064664382 570515929 /nfs/dbraw/zinc/51/59/29/570515929.db2.gz QGCQJEFKFOZVFG-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1NC(=O)c1ccco1 ZINC000006649407 570516163 /nfs/dbraw/zinc/51/61/63/570516163.db2.gz XNONCNCBQJECKS-QGZVFWFLSA-N 0 0 392.480 4.807 50 0 GJAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1ccccc1F ZINC000064675521 570516224 /nfs/dbraw/zinc/51/62/24/570516224.db2.gz DKPULECFRSHARU-UHFFFAOYSA-N 0 0 377.394 4.851 50 0 GJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)c(C)c3)cs2)n1C ZINC000064676595 570517085 /nfs/dbraw/zinc/51/70/85/570517085.db2.gz FXQRDXOVDWIYDE-UHFFFAOYSA-N 0 0 390.306 4.780 50 0 GJAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(Br)ccc1OC(F)F ZINC000002791300 570517716 /nfs/dbraw/zinc/51/77/16/570517716.db2.gz ABOGMKWCLCXTJE-UHFFFAOYSA-N 0 0 396.231 4.952 50 0 GJAARN CC[C@H](C)NC(=S)Nc1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C ZINC000002793948 570518207 /nfs/dbraw/zinc/51/82/07/570518207.db2.gz QJQAUZRZPPLXNL-NSHDSACASA-N 0 0 384.471 4.652 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)N(C)C(=O)c1ccccc1O2 ZINC000064677284 570518532 /nfs/dbraw/zinc/51/85/32/570518532.db2.gz NORIPSRYDJGMSG-UHFFFAOYSA-N 0 0 376.387 4.769 50 0 GJAARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccccc1F ZINC000002796284 570518569 /nfs/dbraw/zinc/51/85/69/570518569.db2.gz JYAJRVXNDIRHSG-UHFFFAOYSA-N 0 0 391.368 4.958 50 0 GJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1Br ZINC000033270624 570522819 /nfs/dbraw/zinc/52/28/19/570522819.db2.gz VQWKRSXIRQCHFW-CQSZACIVSA-N 0 0 378.270 4.677 50 0 GJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000033270621 570522858 /nfs/dbraw/zinc/52/28/58/570522858.db2.gz BYKCIMBGEWATJQ-AWEZNQCLSA-N 0 0 393.871 4.585 50 0 GJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)cc3)oc21 ZINC000002951368 570523303 /nfs/dbraw/zinc/52/33/03/570523303.db2.gz ITFQNDRULOEPOB-ATJXCDBQSA-N 0 0 391.452 4.691 50 0 GJAARN C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000005239454 570524982 /nfs/dbraw/zinc/52/49/82/570524982.db2.gz IJJQIKNAVNUGIB-SNVBAGLBSA-N 0 0 384.358 4.553 50 0 GJAARN COc1ccc(-c2noc(CN(C(=O)c3ccoc3C)C3CCCCC3)n2)cc1 ZINC000006661658 570525163 /nfs/dbraw/zinc/52/51/63/570525163.db2.gz NMRLMXWGMOLVQC-UHFFFAOYSA-N 0 0 395.459 4.622 50 0 GJAARN COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000006662659 570526051 /nfs/dbraw/zinc/52/60/51/570526051.db2.gz LWQYCJIALXBRJX-UHFFFAOYSA-N 0 0 395.333 4.759 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4cc(C)cc(C)c4)C3)c2c1C ZINC000032960304 570527198 /nfs/dbraw/zinc/52/71/98/570527198.db2.gz JENTUXFYNXFDKI-SFHVURJKSA-N 0 0 392.503 4.620 50 0 GJAARN Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000006669385 570527431 /nfs/dbraw/zinc/52/74/31/570527431.db2.gz AYDZBFXMHDJHLD-UHFFFAOYSA-N 0 0 377.835 4.658 50 0 GJAARN Cc1cc(C)c(C)c(OCc2nc(C(=O)NCc3cccc(F)c3)cs2)c1 ZINC000036084246 570530006 /nfs/dbraw/zinc/53/00/06/570530006.db2.gz YPPPMNICCDVWJU-UHFFFAOYSA-N 0 0 384.476 4.716 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000032960667 570531902 /nfs/dbraw/zinc/53/19/02/570531902.db2.gz FMIIDCOGSJUISR-UHFFFAOYSA-N 0 0 385.467 4.999 50 0 GJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)N1CCCC1 ZINC000005263330 570532276 /nfs/dbraw/zinc/53/22/76/570532276.db2.gz GLTAOFPURGLJOB-QGZVFWFLSA-N 0 0 377.513 4.642 50 0 GJAARN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000032961243 570532461 /nfs/dbraw/zinc/53/24/61/570532461.db2.gz NVXMVXPBCMTSHG-UHFFFAOYSA-N 0 0 377.828 4.690 50 0 GJAARN O=C(Cc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000005264560 570532583 /nfs/dbraw/zinc/53/25/83/570532583.db2.gz IJMWKONGJIMBBQ-UHFFFAOYSA-N 0 0 395.434 4.745 50 0 GJAARN CCOc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc32)cc1 ZINC000032961481 570533142 /nfs/dbraw/zinc/53/31/42/570533142.db2.gz OAJWCORGVWOUGE-UHFFFAOYSA-N 0 0 399.288 4.634 50 0 GJAARN CC(C)CC(=O)N(Cc1nccn1Cc1c(F)cccc1Cl)CC(C)C ZINC000006689108 570533738 /nfs/dbraw/zinc/53/37/38/570533738.db2.gz ZOWLUGZNOYMARC-UHFFFAOYSA-N 0 0 379.907 4.755 50 0 GJAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1 ZINC000008562980 570534250 /nfs/dbraw/zinc/53/42/50/570534250.db2.gz HFLHOMPXTTUKDO-UHFFFAOYSA-N 0 0 380.488 4.598 50 0 GJAARN O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(F)cc1 ZINC000001122594 570534774 /nfs/dbraw/zinc/53/47/74/570534774.db2.gz DYUFDYLXZIBWDX-UHFFFAOYSA-N 0 0 378.428 4.712 50 0 GJAARN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000001195204 570535318 /nfs/dbraw/zinc/53/53/18/570535318.db2.gz XRHGEBZQKWKJLE-UHFFFAOYSA-N 0 0 378.403 4.729 50 0 GJAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3Cl)c2)c1 ZINC000022171212 570538578 /nfs/dbraw/zinc/53/85/78/570538578.db2.gz QBCMKVJIXGVGKU-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)N2c3ccccc3NC2=N1 ZINC000008741306 570538908 /nfs/dbraw/zinc/53/89/08/570538908.db2.gz SDHJBHNFMUHUDP-LJQANCHMSA-N 0 0 381.863 4.908 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1 ZINC000008763222 570540363 /nfs/dbraw/zinc/54/03/63/570540363.db2.gz CJJFMQHAPZNTPG-UHFFFAOYSA-N 0 0 398.919 4.790 50 0 GJAARN COc1ccccc1OCc1nc(CN(C(=O)c2ccccc2)C(C)C)cs1 ZINC000036105713 570542068 /nfs/dbraw/zinc/54/20/68/570542068.db2.gz LTJWADUSTHIMIY-UHFFFAOYSA-N 0 0 396.512 4.782 50 0 GJAARN O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1F ZINC000022766017 570543702 /nfs/dbraw/zinc/54/37/02/570543702.db2.gz ODBWGPHVVLUNBE-HXUWFJFHSA-N 0 0 398.478 4.556 50 0 GJAARN CCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc2c(c1)OCO2 ZINC000006706096 570545123 /nfs/dbraw/zinc/54/51/23/570545123.db2.gz ZUIDMGVKGGVRMG-LJQANCHMSA-N 0 0 392.499 4.897 50 0 GJAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@@H](C)C(C)C)c1 ZINC000006708748 570545910 /nfs/dbraw/zinc/54/59/10/570545910.db2.gz NKZCJFTTWAQZSV-KRWDZBQOSA-N 0 0 389.584 4.766 50 0 GJAARN CC[C@H](C)NC(=O)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1 ZINC000034906501 570547362 /nfs/dbraw/zinc/54/73/62/570547362.db2.gz OBRDJTGOJACEPO-SFHVURJKSA-N 0 0 396.579 4.748 50 0 GJAARN COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@H](C)c2ccccc2)cc1 ZINC000036148825 570549362 /nfs/dbraw/zinc/54/93/62/570549362.db2.gz UZWTYZZJKUDSHZ-MRXNPFEDSA-N 0 0 385.460 4.791 50 0 GJAARN CCC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@H](C)CC ZINC000006722071 570550687 /nfs/dbraw/zinc/55/06/87/570550687.db2.gz CSZVRJRIOZMMDU-MRXNPFEDSA-N 0 0 399.510 4.681 50 0 GJAARN CCC(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@@H](C)CC ZINC000006722070 570550694 /nfs/dbraw/zinc/55/06/94/570550694.db2.gz GUWBLITXCNDXOP-INIZCTEOSA-N 0 0 375.557 4.664 50 0 GJAARN CC[C@H]1CCc2sc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2C1 ZINC000032967223 570550750 /nfs/dbraw/zinc/55/07/50/570550750.db2.gz YNNKVBHIFRNEHZ-FUHWJXTLSA-N 0 0 386.561 4.813 50 0 GJAARN Cc1cc(C)c(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1C ZINC000005317072 570552742 /nfs/dbraw/zinc/55/27/42/570552742.db2.gz IGOLCPVNEVWANU-UHFFFAOYSA-N 0 0 375.255 4.511 50 0 GJAARN CN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000006723919 570552763 /nfs/dbraw/zinc/55/27/63/570552763.db2.gz DLOXJOVVQQSACJ-UHFFFAOYSA-N 0 0 392.261 4.650 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 ZINC000035476509 570553478 /nfs/dbraw/zinc/55/34/78/570553478.db2.gz QWPXDYYZIOBZJS-KRWDZBQOSA-N 0 0 390.867 4.735 50 0 GJAARN Cc1ccc(NC(=O)c2ccc3c(c2)nnn3C2CCCC2)c(Br)c1 ZINC000064818530 570553578 /nfs/dbraw/zinc/55/35/78/570553578.db2.gz VQLSUVCCGLSFIV-UHFFFAOYSA-N 0 0 399.292 4.870 50 0 GJAARN Cc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[NH+]2CCCCC2)c1 ZINC000022852326 570556631 /nfs/dbraw/zinc/55/66/31/570556631.db2.gz IGUWQOLGLZZEPZ-KRWDZBQOSA-N 0 0 394.500 4.640 50 0 GJAARN CCN(CC)c1ccc(NC(=O)c2csc(Nc3cccc(C)n3)n2)c(C)c1 ZINC000062022562 570557259 /nfs/dbraw/zinc/55/72/59/570557259.db2.gz LVWXBEYJDQUFNT-UHFFFAOYSA-N 0 0 395.532 4.997 50 0 GJAARN CC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@H](C)CCc1ccccc1 ZINC000005342373 570557559 /nfs/dbraw/zinc/55/75/59/570557559.db2.gz ADCYNBWDCNXCEX-CYBMUJFWSA-N 0 0 394.298 4.712 50 0 GJAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000064837594 570559833 /nfs/dbraw/zinc/55/98/33/570559833.db2.gz WGMAQYUYNQXUDX-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1F ZINC000005358863 570563455 /nfs/dbraw/zinc/56/34/55/570563455.db2.gz LDWLPSFFFPXXFF-UHFFFAOYSA-N 0 0 388.493 4.520 50 0 GJAARN CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036621080 570565786 /nfs/dbraw/zinc/56/57/86/570565786.db2.gz JOPJMXYYUIGWHM-IBGZPJMESA-N 0 0 386.879 4.815 50 0 GJAARN Cc1nc2c3ccccc3nc(SCc3ccc(Br)cc3)n2n1 ZINC000010157705 570566524 /nfs/dbraw/zinc/56/65/24/570566524.db2.gz GLFOCLFQRJJUAV-UHFFFAOYSA-N 0 0 385.290 4.641 50 0 GJAARN C[C@H](SCc1nnc(-c2ccccc2)s1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000225385258 570569056 /nfs/dbraw/zinc/56/90/56/570569056.db2.gz PETRTMUPNFJLGM-DZKIICNBSA-N 0 0 375.563 4.522 50 0 GJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)cc1 ZINC000006751512 570569684 /nfs/dbraw/zinc/56/96/84/570569684.db2.gz BNYHQZMZSMZQDL-SOKVYYICSA-N 0 0 381.497 4.528 50 0 GJAARN CCc1ccccc1N1C(=O)c2ccccc2CC[C@]1(C)C(=O)NCCC(C)C ZINC000032977911 570570504 /nfs/dbraw/zinc/57/05/04/570570504.db2.gz GMXPRHQHKRAOLN-RUZDIDTESA-N 0 0 392.543 4.763 50 0 GJAARN Clc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1Cl ZINC000004327824 570572624 /nfs/dbraw/zinc/57/26/24/570572624.db2.gz IGBBSYQZVAZGQS-UHFFFAOYSA-N 0 0 388.283 4.785 50 0 GJAARN Cc1ccc(NC(=O)Nc2nnc(N(C)C3CCCCC3)s2)c(Cl)c1 ZINC000006768228 570578473 /nfs/dbraw/zinc/57/84/73/570578473.db2.gz XLDGWYKUJBOESY-UHFFFAOYSA-N 0 0 379.917 4.913 50 0 GJAARN CN(Cc1ccccn1)C(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl ZINC000011664919 570578512 /nfs/dbraw/zinc/57/85/12/570578512.db2.gz UJAQFIPGMATDAI-HXUWFJFHSA-N 0 0 380.875 4.621 50 0 GJAARN CC(=O)c1ccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)cc1 ZINC000032996358 570578688 /nfs/dbraw/zinc/57/86/88/570578688.db2.gz QZACQWQULIEDMJ-UHFFFAOYSA-N 0 0 376.416 4.851 50 0 GJAARN CN(Cc1ccccn1)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000011667941 570579290 /nfs/dbraw/zinc/57/92/90/570579290.db2.gz OKXWXIYMGUHYSK-UHFFFAOYSA-N 0 0 391.858 4.739 50 0 GJAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2c(C)cccc2C)C1 ZINC000011814709 570583922 /nfs/dbraw/zinc/58/39/22/570583922.db2.gz KXAMICYJTCLYJB-DEOSSOPVSA-N 0 0 394.515 4.723 50 0 GJAARN Cc1ccccc1-c1cn2c(C(=O)NCc3ccc4ncccc4c3)csc2n1 ZINC000011936519 570594161 /nfs/dbraw/zinc/59/41/61/570594161.db2.gz VYZLCGHVRJJFFB-UHFFFAOYSA-N 0 0 398.491 4.849 50 0 GJAARN Cc1c(C(=O)NC2CC2)sc2ncnc(NCc3cc4ccccc4s3)c12 ZINC000011977099 570596692 /nfs/dbraw/zinc/59/66/92/570596692.db2.gz LFJFQCZBEOYUBR-UHFFFAOYSA-N 0 0 394.525 4.719 50 0 GJAARN CC[C@@H](C(=O)Nc1ccccc1F)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799269 570599404 /nfs/dbraw/zinc/59/94/04/570599404.db2.gz WCEJTVDNCMXRBO-INIZCTEOSA-N 0 0 395.459 4.649 50 0 GJAARN CC[C@@H](C(=O)Nc1cccc(F)c1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799271 570599479 /nfs/dbraw/zinc/59/94/79/570599479.db2.gz JZDQLEKQZGURCT-INIZCTEOSA-N 0 0 395.459 4.649 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000003259004 570600178 /nfs/dbraw/zinc/60/01/78/570600178.db2.gz OBKPVPIFMXODKU-UHFFFAOYSA-N 0 0 389.879 4.507 50 0 GJAARN Cc1nc(C)c(NC(=O)NC2CCCCC2)cc1NC(=O)NC1CCCCC1 ZINC000006804274 570606699 /nfs/dbraw/zinc/60/66/99/570606699.db2.gz CPWHMOUDYXBTBQ-UHFFFAOYSA-N 0 0 387.528 4.607 50 0 GJAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1Cl ZINC000006806992 570607558 /nfs/dbraw/zinc/60/75/58/570607558.db2.gz JAKXQYHZKPVQLD-UHFFFAOYSA-N 0 0 376.847 4.877 50 0 GJAARN COc1ccc2cc([C@H](C)NC(=O)c3cn(CC4CCCCC4)nn3)ccc2c1 ZINC000012091822 570607635 /nfs/dbraw/zinc/60/76/35/570607635.db2.gz 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ZINC000033012554 570627284 /nfs/dbraw/zinc/62/72/84/570627284.db2.gz RCNGVLXNYPPQSZ-UHFFFAOYSA-N 0 0 385.851 4.839 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 ZINC000033012674 570627473 /nfs/dbraw/zinc/62/74/73/570627473.db2.gz BIJFNEMIHXYIIH-UHFFFAOYSA-N 0 0 377.425 4.726 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033012569 570627518 /nfs/dbraw/zinc/62/75/18/570627518.db2.gz JTBPUJDRIVNHOL-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(Cc3ccccc3)[nH]2)cc1 ZINC000004492337 570628400 /nfs/dbraw/zinc/62/84/00/570628400.db2.gz MTKRLKZNYNKCSZ-MRXNPFEDSA-N 0 0 393.512 4.631 50 0 GJAARN Cc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn21 ZINC000004597398 570629111 /nfs/dbraw/zinc/62/91/11/570629111.db2.gz GSVMGBNZLNEOSE-UHFFFAOYSA-N 0 0 395.260 4.916 50 0 GJAARN CC(=O)c1c(C)cc(C)c(COC(=O)C(=O)c2c(C)[nH]c3ccccc32)c1C ZINC000071837480 570629586 /nfs/dbraw/zinc/62/95/86/570629586.db2.gz CHVHWAIBGPFZAQ-UHFFFAOYSA-N 0 0 377.440 4.530 50 0 GJAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H](C)NC(=O)COc2ccccc2)cc1 ZINC000005545785 570630419 /nfs/dbraw/zinc/63/04/19/570630419.db2.gz PUWJYQBKRBAMDE-LJQANCHMSA-N 0 0 399.494 4.649 50 0 GJAARN O=c1nc(N2CCc3ccccc3C2)[nH]c2c(-c3ccc(Cl)cc3)csc21 ZINC000044169346 570632052 /nfs/dbraw/zinc/63/20/52/570632052.db2.gz LKHCCVDCBRBVHR-UHFFFAOYSA-N 0 0 393.899 4.868 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989533 570632339 /nfs/dbraw/zinc/63/23/39/570632339.db2.gz OUPIBUYQPKTKKW-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN Cc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064990574 570632719 /nfs/dbraw/zinc/63/27/19/570632719.db2.gz YDABWFOMWVSCAU-SFHVURJKSA-N 0 0 399.494 4.908 50 0 GJAARN CC(=O)c1ccc(OCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1 ZINC000006837364 570638501 /nfs/dbraw/zinc/63/85/01/570638501.db2.gz FXTZTHIHMDHRMT-UHFFFAOYSA-N 0 0 394.496 4.955 50 0 GJAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c(OC)c1 ZINC000006839471 570640090 /nfs/dbraw/zinc/64/00/90/570640090.db2.gz XGSGGUIOAPCIAX-UHFFFAOYSA-N 0 0 386.498 4.558 50 0 GJAARN COc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC ZINC000006839719 570641425 /nfs/dbraw/zinc/64/14/25/570641425.db2.gz XEORPAUJMQDEET-UHFFFAOYSA-N 0 0 387.785 4.947 50 0 GJAARN Cc1ccccc1-c1cn2c(C(=O)N(C)[C@H](C)c3ccccn3)csc2n1 ZINC000012316983 570641787 /nfs/dbraw/zinc/64/17/87/570641787.db2.gz YVXKZCGNEBZEGZ-OAHLLOKOSA-N 0 0 376.485 4.599 50 0 GJAARN Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)NC1CCCCCC1 ZINC000096396497 570642276 /nfs/dbraw/zinc/64/22/76/570642276.db2.gz YJUWFMDTCFVGGF-UHFFFAOYSA-N 0 0 396.462 4.543 50 0 GJAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cnc(-c2ccccc2F)s1 ZINC000012390400 570642539 /nfs/dbraw/zinc/64/25/39/570642539.db2.gz CWCWOPJYNVHDNV-CQSZACIVSA-N 0 0 393.487 4.720 50 0 GJAARN CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1C1CCCC1 ZINC000012390601 570643070 /nfs/dbraw/zinc/64/30/70/570643070.db2.gz IBTIXTWEYRGNJJ-UHFFFAOYSA-N 0 0 388.533 4.710 50 0 GJAARN O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036365271 570644108 /nfs/dbraw/zinc/64/41/08/570644108.db2.gz SOIOWUZAPSHFQC-NRFANRHFSA-N 0 0 392.474 4.551 50 0 GJAARN COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000006849454 570647592 /nfs/dbraw/zinc/64/75/92/570647592.db2.gz FWOFSGVAIHDXDD-KOAUVEIYSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CCSc2ccccc21 ZINC000006852751 570649436 /nfs/dbraw/zinc/64/94/36/570649436.db2.gz RGVBUZWMBJGZIX-INIZCTEOSA-N 0 0 383.904 4.801 50 0 GJAARN Cc1ccc(NC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1Cl ZINC000065025659 570650314 /nfs/dbraw/zinc/65/03/14/570650314.db2.gz HHYXCXXAGLHUHC-UHFFFAOYSA-N 0 0 392.890 4.958 50 0 GJAARN CC(C)C(=O)Nc1ccc(C2(C(=O)NCc3cccs3)CCCCC2)cc1 ZINC000065027515 570650689 /nfs/dbraw/zinc/65/06/89/570650689.db2.gz KPYSEWOEQJAIBR-UHFFFAOYSA-N 0 0 384.545 4.861 50 0 GJAARN COc1ccc(NC(=O)N(C[C@H](O)c2ccccc2)CC(C)(C)C)c(Cl)c1 ZINC000072313627 570651739 /nfs/dbraw/zinc/65/17/39/570651739.db2.gz JNGTYKQBFFGVCT-IBGZPJMESA-N 0 0 390.911 4.962 50 0 GJAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1cccc(F)c1 ZINC000065031574 570652463 /nfs/dbraw/zinc/65/24/63/570652463.db2.gz GQNNCWXYTSGLQL-OAHLLOKOSA-N 0 0 387.414 4.842 50 0 GJAARN C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N(C)Cc1ccccc1 ZINC000065031537 570652465 /nfs/dbraw/zinc/65/24/65/570652465.db2.gz MLYUCNBBKOEMPO-GOSISDBHSA-N 0 0 397.478 4.723 50 0 GJAARN Cc1nc(-c2cc3ccc(OC(=O)c4cccc(F)c4)cc3oc2=O)cs1 ZINC000012408671 570655269 /nfs/dbraw/zinc/65/52/69/570655269.db2.gz PJLNGKYKSIDANR-UHFFFAOYSA-N 0 0 381.384 4.583 50 0 GJAARN COc1cc(SC)ccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000004979752 570655984 /nfs/dbraw/zinc/65/59/84/570655984.db2.gz TZIPYEXNSAFSEK-URLQWDBASA-N 0 0 394.533 4.578 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025362 570658374 /nfs/dbraw/zinc/65/83/74/570658374.db2.gz DUQLLXHBJIQZBU-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN Cc1cc(NC(=O)Cn2cc(C)c(-c3ccccc3)n2)n(C2CCCCC2)n1 ZINC000048435991 570658384 /nfs/dbraw/zinc/65/83/84/570658384.db2.gz UGXSWRKYLAQQHR-UHFFFAOYSA-N 0 0 377.492 4.507 50 0 GJAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c(C)c1 ZINC000000846093 570661787 /nfs/dbraw/zinc/66/17/87/570661787.db2.gz MEBXEYDSFITQKI-UHFFFAOYSA-N 0 0 387.439 4.833 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2cc(C)ccc2[nH]1 ZINC000005357090 570662289 /nfs/dbraw/zinc/66/22/89/570662289.db2.gz OGBZFFGFTWTCNY-NSHDSACASA-N 0 0 375.881 4.653 50 0 GJAARN CC(C)CCNC(=O)c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000065057813 570666536 /nfs/dbraw/zinc/66/65/36/570666536.db2.gz CUBDAROJROZCSO-UHFFFAOYSA-N 0 0 379.435 4.851 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000097286370 570667959 /nfs/dbraw/zinc/66/79/59/570667959.db2.gz IDPSTQYYMAQZRY-MRXNPFEDSA-N 0 0 395.890 4.560 50 0 GJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000065059027 570668530 /nfs/dbraw/zinc/66/85/30/570668530.db2.gz MLXSOAUCYXIHEN-XMMPIXPASA-N 0 0 393.531 4.562 50 0 GJAARN CCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)c1 ZINC000033034980 570671543 /nfs/dbraw/zinc/67/15/43/570671543.db2.gz YUOJOXWLZOCEQD-QFIPXVFZSA-N 0 0 378.516 4.545 50 0 GJAARN Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(ccc(Cl)c3C)s2)on1 ZINC000012422294 570672983 /nfs/dbraw/zinc/67/29/83/570672983.db2.gz DJSXSIJIADDGFY-UHFFFAOYSA-N 0 0 398.875 4.797 50 0 GJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCC(F)(F)F ZINC000012507311 570675147 /nfs/dbraw/zinc/67/51/47/570675147.db2.gz MABOLLKSUVXJBC-OAHLLOKOSA-N 0 0 379.426 4.653 50 0 GJAARN CCn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(=O)c2ccccc21 ZINC000072329891 570675489 /nfs/dbraw/zinc/67/54/89/570675489.db2.gz OYRMTQDKSCZJFZ-UHFFFAOYSA-N 0 0 385.345 4.757 50 0 GJAARN Cc1cc(NC(=O)Cc2cccc(C)c2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441761 570677191 /nfs/dbraw/zinc/67/71/91/570677191.db2.gz ANPPDCXPGFSLLT-UHFFFAOYSA-N 0 0 388.496 4.794 50 0 GJAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441929 570677587 /nfs/dbraw/zinc/67/75/87/570677587.db2.gz VMRPGZFXDLGGBJ-UHFFFAOYSA-N 0 0 380.498 4.926 50 0 GJAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H](C)NC(=O)COc1ccccc1 ZINC000012538710 570678777 /nfs/dbraw/zinc/67/87/77/570678777.db2.gz KPYFNDSKZCXABF-LJQANCHMSA-N 0 0 399.494 4.649 50 0 GJAARN Cc1cc(C(=O)COC(=O)c2ccc(F)cc2Cl)c(C)n1Cc1ccco1 ZINC000006886492 570680571 /nfs/dbraw/zinc/68/05/71/570680571.db2.gz XWIMXVQKSQHQFV-UHFFFAOYSA-N 0 0 389.810 4.578 50 0 GJAARN CCOc1ccc(-n2c(SCCC(C)=O)nnc2-c2cccc(C)c2)cc1 ZINC000008725979 570681569 /nfs/dbraw/zinc/68/15/69/570681569.db2.gz PPJFNSSRDRHFEC-UHFFFAOYSA-N 0 0 381.501 4.713 50 0 GJAARN CCc1cccc(NC(=O)Cc2csc3nc(-c4ccc(OC)cc4)cn23)c1 ZINC000065079303 570682638 /nfs/dbraw/zinc/68/26/38/570682638.db2.gz XBJFNMVGGCZKIX-UHFFFAOYSA-N 0 0 391.496 4.815 50 0 GJAARN O=C(c1cccc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000012578370 570682842 /nfs/dbraw/zinc/68/28/42/570682842.db2.gz UOIKKCGVZPDDKH-LJQANCHMSA-N 0 0 395.462 4.518 50 0 GJAARN Cc1ccc2nc(Nc3cc(Cl)ccc3Cl)nc(-c3ccccc3)c2c1 ZINC000239367158 570683025 /nfs/dbraw/zinc/68/30/25/570683025.db2.gz AHVGPRALMVJVNK-UHFFFAOYSA-N 0 0 380.278 6.656 50 0 GJAARN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(C)nn2C)cc1 ZINC000012585985 570685633 /nfs/dbraw/zinc/68/56/33/570685633.db2.gz HULDDUFSSRZWGW-XMMPIXPASA-N 0 0 398.510 4.560 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000065085365 570689025 /nfs/dbraw/zinc/68/90/25/570689025.db2.gz SUFGPQIIMWPHCP-UHFFFAOYSA-N 0 0 389.473 4.589 50 0 GJAARN Fc1ccccc1N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000055292401 570690842 /nfs/dbraw/zinc/69/08/42/570690842.db2.gz DAQYNCMTJXJGGY-UHFFFAOYSA-N 0 0 376.475 4.727 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012628627 570692466 /nfs/dbraw/zinc/69/24/66/570692466.db2.gz YXPKJJHGYNTYAW-HXUWFJFHSA-N 0 0 377.488 4.603 50 0 GJAARN COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000004354952 570692852 /nfs/dbraw/zinc/69/28/52/570692852.db2.gz KATRJJRGAFFHMJ-CYBMUJFWSA-N 0 0 387.892 4.550 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cccnc1Cl)C[C@H](CC)CC2 ZINC000000879588 570693071 /nfs/dbraw/zinc/69/30/71/570693071.db2.gz DCQGYUIOPWSFAW-LLVKDONJSA-N 0 0 392.908 4.740 50 0 GJAARN CCN(CC1CCOCC1)C(=O)c1cccnc1SC/C=C/c1ccccc1 ZINC000055383504 570693182 /nfs/dbraw/zinc/69/31/82/570693182.db2.gz XIPGMKVSUQPDMS-JXMROGBWSA-N 0 0 396.556 4.776 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(F)c(F)c2)N1c1ccc2c(c1)OCCO2 ZINC000012632024 570693697 /nfs/dbraw/zinc/69/36/97/570693697.db2.gz LETMLQNTDROGQS-OAQYLSRUSA-N 0 0 394.377 4.507 50 0 GJAARN CCN(C(=O)CSc1nnc(C)n2c3cc(C)oc3cc12)c1cccc(C)c1 ZINC000006894168 570693835 /nfs/dbraw/zinc/69/38/35/570693835.db2.gz GCGQPLATVNIWFJ-UHFFFAOYSA-N 0 0 394.500 4.546 50 0 GJAARN Cc1c(C)c(C)c(S(=O)(=O)N(Cc2ccco2)Cc2cccnc2)c(C)c1C ZINC000012635195 570694135 /nfs/dbraw/zinc/69/41/35/570694135.db2.gz JNXGZHVYOGREMW-UHFFFAOYSA-N 0 0 398.528 4.608 50 0 GJAARN O=C(CCC(=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1)c1ccccc1 ZINC000219308362 570694175 /nfs/dbraw/zinc/69/41/75/570694175.db2.gz BOCTUOQYQVUISE-HXUWFJFHSA-N 0 0 389.467 4.635 50 0 GJAARN Cc1ncsc1-c1nc(CSc2ncc(C(F)(F)F)cc2Cl)no1 ZINC000156441911 570694478 /nfs/dbraw/zinc/69/44/78/570694478.db2.gz JYDVXHVAGZXSTB-UHFFFAOYSA-N 0 0 392.815 4.861 50 0 GJAARN O=C(NCc1ccc([C@H](O)c2ccsc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000207965765 570695963 /nfs/dbraw/zinc/69/59/63/570695963.db2.gz KYVVZRVUGSXUNJ-IPAUSASBSA-N 0 0 387.570 4.724 50 0 GJAARN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)NC2CCCCC2)n1 ZINC000055556845 570696643 /nfs/dbraw/zinc/69/66/43/570696643.db2.gz ZLYOVIZMMWGZGY-UHFFFAOYSA-N 0 0 375.925 4.646 50 0 GJAARN CC(C)(C)C(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000006906062 570697995 /nfs/dbraw/zinc/69/79/95/570697995.db2.gz IQMAVMRXMVLAFA-QGOAFFKASA-N 0 0 396.487 4.918 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(F)cc2F)n1 ZINC000065114570 570699962 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/nfs/dbraw/zinc/75/27/46/570752746.db2.gz UZUNOUNWRQYIPL-UHFFFAOYSA-N 0 0 376.504 4.607 50 0 GJAARN C[C@H]1CCCCN1C(=O)c1cc(-c2cnn(C(C)(C)C)c2)nc2ccccc21 ZINC000063881895 570752796 /nfs/dbraw/zinc/75/27/96/570752796.db2.gz GPDBIUAINNKQBX-INIZCTEOSA-N 0 0 376.504 4.868 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@H]1c1cccs1 ZINC000032716663 570754415 /nfs/dbraw/zinc/75/44/15/570754415.db2.gz OHJRRAOHEHDWDP-FQEVSTJZSA-N 0 0 379.529 4.847 50 0 GJAARN COc1ccc([C@H]2CCCCN(C(=O)c3cc(Br)cs3)C2)cc1 ZINC000206886113 570754528 /nfs/dbraw/zinc/75/45/28/570754528.db2.gz FTRHWJNTZREBJG-AWEZNQCLSA-N 0 0 394.334 4.929 50 0 GJAARN Cc1ccc(C)c(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1 ZINC000064894127 570757065 /nfs/dbraw/zinc/75/70/65/570757065.db2.gz PESPHBOZJXWRCM-UHFFFAOYSA-N 0 0 390.414 4.651 50 0 GJAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064984113 570757171 /nfs/dbraw/zinc/75/71/71/570757171.db2.gz MOUTWECKZWELPN-SFHVURJKSA-N 0 0 385.863 4.924 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(C)cc2)cc1Cl ZINC000064984202 570757371 /nfs/dbraw/zinc/75/73/71/570757371.db2.gz NODOFZKIWWLQOC-IBGZPJMESA-N 0 0 393.936 4.963 50 0 GJAARN O=C(Nc1nnc(-c2ccccc2Br)s1)Nc1ccc(F)cc1 ZINC000013549215 570757437 /nfs/dbraw/zinc/75/74/37/570757437.db2.gz OPLLWIQYEYZCRO-UHFFFAOYSA-N 0 0 393.241 4.751 50 0 GJAARN Nc1ccc2nc(SCC(=O)Nc3ccc4c5c(cccc53)CC4)sc2c1 ZINC000001162075 570759365 /nfs/dbraw/zinc/75/93/65/570759365.db2.gz CFIQQGABKMPEMP-UHFFFAOYSA-N 0 0 391.521 4.861 50 0 GJAARN CCN1c2ccc(NC(=O)c3ccc(F)cc3)cc2Sc2ncccc2C1=O ZINC000065258461 570760159 /nfs/dbraw/zinc/76/01/59/570760159.db2.gz NLILBRVAXPLWBP-UHFFFAOYSA-N 0 0 393.443 4.604 50 0 GJAARN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Nc1cccc(Cl)c1 ZINC000065363758 570760737 /nfs/dbraw/zinc/76/07/37/570760737.db2.gz WLSUECCSWBQHLT-UHFFFAOYSA-N 0 0 377.231 4.707 50 0 GJAARN O=C(NNc1ccc(Br)cc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000084502085 570761869 /nfs/dbraw/zinc/76/18/69/570761869.db2.gz OGHJRAHWHRPKDN-KBPBESRZSA-N 0 0 399.210 4.715 50 0 GJAARN Cc1ccc(-c2nc(N[C@H](C)c3nccs3)ncc2-c2ccc(N)nc2)cc1 ZINC000065396798 570765656 /nfs/dbraw/zinc/76/56/56/570765656.db2.gz YCJVBCCCFVCLNR-CQSZACIVSA-N 0 0 388.500 4.726 50 0 GJAARN CCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@H]2c1ccccc1C(F)(F)F ZINC000065407318 570767112 /nfs/dbraw/zinc/76/71/12/570767112.db2.gz UPTNVMBTIVVZJQ-LBPRGKRZSA-N 0 0 392.377 4.537 50 0 GJAARN Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2CCCc2cccnc2)n1 ZINC000065410707 570767544 /nfs/dbraw/zinc/76/75/44/570767544.db2.gz SRPZJIITILUOOY-UHFFFAOYSA-N 0 0 385.515 4.634 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCc2ccc(C)c(Cl)c2)c1 ZINC000036626080 570767633 /nfs/dbraw/zinc/76/76/33/570767633.db2.gz FCMCZJWVXLNEEF-FQEVSTJZSA-N 0 0 387.907 4.962 50 0 GJAARN CCc1nc(C)sc1Cn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 ZINC000065461679 570769488 /nfs/dbraw/zinc/76/94/88/570769488.db2.gz PPNSZVXMVUIMFJ-UHFFFAOYSA-N 0 0 379.485 4.678 50 0 GJAARN CC(C)C(=O)Nc1cc(-c2cccc(Br)c2)nn1-c1ccccc1 ZINC000021944816 570773054 /nfs/dbraw/zinc/77/30/54/570773054.db2.gz VHTOZTGTAQWXLN-UHFFFAOYSA-N 0 0 384.277 4.896 50 0 GJAARN CCc1ccc(Nc2c(C)c(C)nc3nc(Cc4cccc(F)c4)nn32)cc1 ZINC000021941658 570773436 /nfs/dbraw/zinc/77/34/36/570773436.db2.gz MBPTWNMAEOCQND-UHFFFAOYSA-N 0 0 375.451 4.777 50 0 GJAARN COc1cccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)s2)c1 ZINC000013685775 570774258 /nfs/dbraw/zinc/77/42/58/570774258.db2.gz RNBMQPANFXFPNR-UHFFFAOYSA-N 0 0 391.496 4.581 50 0 GJAARN CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1ccccc1F ZINC000009582507 570775796 /nfs/dbraw/zinc/77/57/96/570775796.db2.gz WQYPZPADCQYIQR-UHFFFAOYSA-N 0 0 398.507 4.527 50 0 GJAARN C[C@@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2C1 ZINC000011214539 570781404 /nfs/dbraw/zinc/78/14/04/570781404.db2.gz PNRQKOQBVKQAIJ-CYBMUJFWSA-N 0 0 380.469 4.971 50 0 GJAARN Cn1c(CNC(=O)c2cc3cn(C4CCCC4)cc3s2)nc2ccccc21 ZINC000065285806 570781473 /nfs/dbraw/zinc/78/14/73/570781473.db2.gz QTNVTWPJAZSRGS-UHFFFAOYSA-N 0 0 378.501 4.635 50 0 GJAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C2)cc1C ZINC000101071664 570793052 /nfs/dbraw/zinc/79/30/52/570793052.db2.gz SITPCMSPWICDAD-GOSISDBHSA-N 0 0 381.277 4.713 50 0 GJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000032759955 570795690 /nfs/dbraw/zinc/79/56/90/570795690.db2.gz JUTPCJNPEDRWSE-JOCHJYFZSA-N 0 0 385.467 4.674 50 0 GJAARN COc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1 ZINC000011613271 570796166 /nfs/dbraw/zinc/79/61/66/570796166.db2.gz QCPUSOGOVJGFFV-UHFFFAOYSA-N 0 0 383.839 4.835 50 0 GJAARN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N(Cc1ccccn1)C1CC1 ZINC000178235390 570796213 /nfs/dbraw/zinc/79/62/13/570796213.db2.gz HZGNYRLMELJKQA-HXUWFJFHSA-N 0 0 377.488 4.592 50 0 GJAARN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N(Cc1ccccn1)C1CC1 ZINC000178235407 570796281 /nfs/dbraw/zinc/79/62/81/570796281.db2.gz HZGNYRLMELJKQA-FQEVSTJZSA-N 0 0 377.488 4.592 50 0 GJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000032753906 570796886 /nfs/dbraw/zinc/79/68/86/570796886.db2.gz FGDQAWMOGYJOFH-OXJNMPFZSA-N 0 0 379.456 4.824 50 0 GJAARN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CCC3 ZINC000007124122 570799747 /nfs/dbraw/zinc/79/97/47/570799747.db2.gz XMXZBBAWJZWECC-ZDUSSCGKSA-N 0 0 383.542 4.916 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1Cc1ccccc1 ZINC000007128424 570799793 /nfs/dbraw/zinc/79/97/93/570799793.db2.gz CHQCWNHXWAKDTF-QHCPKHFHSA-N 0 0 380.451 4.639 50 0 GJAARN CCc1cccc(C)c1Nc1c(-c2ccc(NC(C)=O)cc2)nc2cnccn21 ZINC000065322806 570800471 /nfs/dbraw/zinc/80/04/71/570800471.db2.gz BMOZMDQLAZJQLJ-UHFFFAOYSA-N 0 0 385.471 4.969 50 0 GJAARN Cc1c(Cl)cccc1Nc1c(-c2ccc3c(c2)OCO3)nc2cnccn21 ZINC000065323313 570800621 /nfs/dbraw/zinc/80/06/21/570800621.db2.gz HFVOPNQUZDSDPE-UHFFFAOYSA-N 0 0 378.819 4.830 50 0 GJAARN COc1cc(Cl)c(C)cc1Nc1c2[nH]cccc-2c(=O)n1-c1ccccc1 ZINC000033072308 570803539 /nfs/dbraw/zinc/80/35/39/570803539.db2.gz RCPPUDCVFXHYLP-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN COc1ccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)cc1Cl ZINC000004483340 570804759 /nfs/dbraw/zinc/80/47/59/570804759.db2.gz MSOVLBAHWUQMCW-UHFFFAOYSA-N 0 0 384.867 4.613 50 0 GJAARN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000007138094 570804780 /nfs/dbraw/zinc/80/47/80/570804780.db2.gz OMYJSNDRJLSZSB-AWEZNQCLSA-N 0 0 377.469 4.726 50 0 GJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078904 570805362 /nfs/dbraw/zinc/80/53/62/570805362.db2.gz UBOPZPHOCARCHD-UHFFFAOYSA-N 0 0 386.908 4.814 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000032772748 570805912 /nfs/dbraw/zinc/80/59/12/570805912.db2.gz HVUHWZBDOSBXEK-INIZCTEOSA-N 0 0 394.689 4.900 50 0 GJAARN CCOC(=O)C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl ZINC000004653378 570806953 /nfs/dbraw/zinc/80/69/53/570806953.db2.gz UQAPDJQRANMMJD-NAVXVDNBSA-N 0 0 389.923 4.667 50 0 GJAARN CCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccccc3)c21 ZINC000033085751 570807644 /nfs/dbraw/zinc/80/76/44/570807644.db2.gz WUANBUFFBBSNRX-UHFFFAOYSA-N 0 0 388.446 4.961 50 0 GJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000032779299 570807894 /nfs/dbraw/zinc/80/78/94/570807894.db2.gz WDSWZHFAYYWGDZ-QMMMGPOBSA-N 0 0 390.196 4.647 50 0 GJAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1coc(Br)c1 ZINC000032779946 570808385 /nfs/dbraw/zinc/80/83/85/570808385.db2.gz UPZCQUCHXZPHIE-UHFFFAOYSA-N 0 0 388.246 4.899 50 0 GJAARN CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1 ZINC000018208707 570810162 /nfs/dbraw/zinc/81/01/62/570810162.db2.gz LMVDVLWHGRISHP-UHFFFAOYSA-N 0 0 382.416 4.540 50 0 GJAARN O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F ZINC000005978537 570811063 /nfs/dbraw/zinc/81/10/63/570811063.db2.gz IQYBYAHNDCBKHV-UHFFFAOYSA-N 0 0 391.267 4.520 50 0 GJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc2cc(Cl)ccc2oc1=O ZINC000004662623 570811962 /nfs/dbraw/zinc/81/19/62/570811962.db2.gz ONMOMGHFTMTFOX-UHFFFAOYSA-N 0 0 382.828 4.822 50 0 GJAARN C[C@H]1CCc2c(sc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)C1 ZINC000005694700 570813763 /nfs/dbraw/zinc/81/37/63/570813763.db2.gz CRMHLUALLBRCFH-AWEZNQCLSA-N 0 0 398.963 4.796 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)n1Cc1ccco1 ZINC000007194422 570813777 /nfs/dbraw/zinc/81/37/77/570813777.db2.gz VEQIPOREESIERP-UHFFFAOYSA-N 0 0 397.456 4.673 50 0 GJAARN COc1ccc(NC(=O)Cn2c3ccccc3nc2SC(C)C)cc1Cl ZINC000006024123 570814787 /nfs/dbraw/zinc/81/47/87/570814787.db2.gz JSIJBINZGHKHJU-UHFFFAOYSA-N 0 0 389.908 4.838 50 0 GJAARN CCCCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nc2ccccc2c1=O ZINC000006034810 570815569 /nfs/dbraw/zinc/81/55/69/570815569.db2.gz FQGBFYRJNBKJKM-MRXNPFEDSA-N 0 0 380.513 4.869 50 0 GJAARN COc1ccc(Oc2c(=O)c3ccc(OC(C)=O)cc3oc2C(F)(F)F)cc1 ZINC000001218894 570817474 /nfs/dbraw/zinc/81/74/74/570817474.db2.gz MDXMDYGYHZXZNK-UHFFFAOYSA-N 0 0 394.301 4.538 50 0 biogenic GJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000033128727 570817889 /nfs/dbraw/zinc/81/78/89/570817889.db2.gz PJOAUOGQPPKALA-UHFFFAOYSA-N 0 0 387.439 4.542 50 0 GJAARN CCOC(=O)Cc1csc(SCc2ccc(Cl)c3cccnc23)n1 ZINC000031650364 570819333 /nfs/dbraw/zinc/81/93/33/570819333.db2.gz VBOSWHSRJBUWLX-UHFFFAOYSA-N 0 0 378.906 4.743 50 0 GJAARN COc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000007239459 570819855 /nfs/dbraw/zinc/81/98/55/570819855.db2.gz OOZOPSSHTZBWKJ-MRXNPFEDSA-N 0 0 376.456 4.810 50 0 GJAARN C[P@@](=O)(Nc1ccc(I)cc1F)Oc1ccccc1 ZINC000101368360 570820032 /nfs/dbraw/zinc/82/00/32/570820032.db2.gz SQAQHRPLJQONTD-IBGZPJMESA-N 0 0 391.120 4.744 50 0 GJAARN CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)c(F)c1 ZINC000032801648 570820290 /nfs/dbraw/zinc/82/02/90/570820290.db2.gz QPIGUIAHCDRPDJ-UHFFFAOYSA-N 0 0 397.475 4.562 50 0 GJAARN Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 ZINC000101348767 570821003 /nfs/dbraw/zinc/82/10/03/570821003.db2.gz ZRAFUWCIJFCSTG-QFIPXVFZSA-N 0 0 395.462 4.711 50 0 GJAARN CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000007258547 570821745 /nfs/dbraw/zinc/82/17/45/570821745.db2.gz DRHUXZCQCBCGPG-CQSZACIVSA-N 0 0 394.972 4.744 50 0 GJAARN COc1ccccc1OCC(=O)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000007265002 570821975 /nfs/dbraw/zinc/82/19/75/570821975.db2.gz HHWJVCAWCDPOGW-UHFFFAOYSA-N 0 0 396.440 4.637 50 0 GJAARN O=C(NCc1ccnc(N2CCCCCC2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000033131236 570822001 /nfs/dbraw/zinc/82/20/01/570822001.db2.gz DNYKOUFCEVGJFC-UHFFFAOYSA-N 0 0 392.425 4.803 50 0 GJAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000014095090 570822103 /nfs/dbraw/zinc/82/21/03/570822103.db2.gz PKMMEPAEMBMWKY-LJQANCHMSA-N 0 0 391.515 4.621 50 0 GJAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O ZINC000014095517 570822274 /nfs/dbraw/zinc/82/22/74/570822274.db2.gz HGIPGZUEZNSJFH-HNNXBMFYSA-N 0 0 399.897 4.993 50 0 GJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)CC1 ZINC000014095671 570822485 /nfs/dbraw/zinc/82/24/85/570822485.db2.gz LBZXJFURHSRWSA-UHFFFAOYSA-N 0 0 399.494 4.603 50 0 GJAARN O=C(Nc1cccc(Oc2cnccn2)c1)C1(c2cccc(Cl)c2)CCC1 ZINC000033137825 570822441 /nfs/dbraw/zinc/82/24/41/570822441.db2.gz UGWPNGUGWOUPJB-UHFFFAOYSA-N 0 0 379.847 4.983 50 0 GJAARN COc1cccc(-c2cn3cc(-c4cccc(Br)c4)nc3n2C)c1 ZINC000004678376 570824183 /nfs/dbraw/zinc/82/41/83/570824183.db2.gz BJUZJHDSBHUUAH-UHFFFAOYSA-N 0 0 382.261 4.778 50 0 GJAARN COC(=O)c1ccc(COc2c(=O)c3ccc(C)cc3oc2-c2ccco2)cc1 ZINC000001910726 570824614 /nfs/dbraw/zinc/82/46/14/570824614.db2.gz DMUUMUIAHZTSML-UHFFFAOYSA-N 0 0 390.391 4.727 50 0 GJAARN COc1cccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)c1 ZINC000004678552 570824838 /nfs/dbraw/zinc/82/48/38/570824838.db2.gz XGTBODXOJHFEKP-UHFFFAOYSA-N 0 0 382.261 4.778 50 0 GJAARN CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(-n4ccnc4)nc3)cc2C1 ZINC000012520085 570826531 /nfs/dbraw/zinc/82/65/31/570826531.db2.gz FWOKDESNPOMTBB-HNNXBMFYSA-N 0 0 380.517 4.732 50 0 GJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1F)n1c(-c2cccs2)n[nH]c1=S ZINC000065511890 570828888 /nfs/dbraw/zinc/82/88/88/570828888.db2.gz JZVZYQIYGDPCHS-MRVPVSSYSA-N 0 0 382.873 4.661 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000007318761 570829224 /nfs/dbraw/zinc/82/92/24/570829224.db2.gz YSOVNLOWPOOAJC-UHFFFAOYSA-N 0 0 377.831 4.819 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(N3CCCCCC3)nc2)c1 ZINC000032809312 570831903 /nfs/dbraw/zinc/83/19/03/570831903.db2.gz PAVHTGTVOCGUOH-UHFFFAOYSA-N 0 0 383.492 4.512 50 0 GJAARN O=C(CN1CCSc2ccccc21)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007355579 570833386 /nfs/dbraw/zinc/83/33/86/570833386.db2.gz MDTWNWWPLIQKNO-OAQYLSRUSA-N 0 0 398.528 4.705 50 0 GJAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc2c1 ZINC000033169188 570834559 /nfs/dbraw/zinc/83/45/59/570834559.db2.gz UVVSUBFECZGJDI-UHFFFAOYSA-N 0 0 396.493 4.773 50 0 GJAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 ZINC000004689667 570834822 /nfs/dbraw/zinc/83/48/22/570834822.db2.gz MRCAEFRQWYSUSR-ZWKOTPCHSA-N 0 0 399.292 4.586 50 0 GJAARN Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)no1 ZINC000007371409 570835111 /nfs/dbraw/zinc/83/51/11/570835111.db2.gz MGBUQEKHTSWZDH-UHFFFAOYSA-N 0 0 383.864 4.571 50 0 GJAARN O=C(CSCc1ccccc1Br)NCc1ccccc1Cl ZINC000004689854 570835145 /nfs/dbraw/zinc/83/51/45/570835145.db2.gz RKVZBDLVALATLB-UHFFFAOYSA-N 0 0 384.726 4.652 50 0 GJAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Cl)cc3Cl)o2)cc1 ZINC000007398101 570837057 /nfs/dbraw/zinc/83/70/57/570837057.db2.gz QNKJSZOJWCDWFJ-SNVBAGLBSA-N 0 0 393.226 4.970 50 0 GJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)cc3C)c2c1 ZINC000033172558 570837162 /nfs/dbraw/zinc/83/71/62/570837162.db2.gz ASTZPSJQAUWFHW-UHFFFAOYSA-N 0 0 376.485 4.767 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2NCC(F)(F)F)sc2nc(C)nc(C)c12 ZINC000065594398 570838102 /nfs/dbraw/zinc/83/81/02/570838102.db2.gz YKFXNZRFZCTOTB-UHFFFAOYSA-N 0 0 394.422 4.843 50 0 GJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CCCC2 ZINC000007408052 570838183 /nfs/dbraw/zinc/83/81/83/570838183.db2.gz VJBAIBUXFYYMEB-UHFFFAOYSA-N 0 0 397.327 4.644 50 0 GJAARN COc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc1 ZINC000033169465 570838266 /nfs/dbraw/zinc/83/82/66/570838266.db2.gz YGYWSKVQTNSMRA-UHFFFAOYSA-N 0 0 394.543 4.606 50 0 GJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NC3CCCCC3)cc2)CC1 ZINC000033170777 570839116 /nfs/dbraw/zinc/83/91/16/570839116.db2.gz IORUHZHBQDEQKB-UHFFFAOYSA-N 0 0 394.519 4.568 50 0 GJAARN Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 ZINC000007424663 570841721 /nfs/dbraw/zinc/84/17/21/570841721.db2.gz MHYZAOCMXFNXPH-UHFFFAOYSA-N 0 0 394.475 4.677 50 0 GJAARN COc1cc(C(=O)Nc2ccccc2Cc2ccccc2)cc(OC)c1OC ZINC000003270296 570846319 /nfs/dbraw/zinc/84/63/19/570846319.db2.gz GFZSWKUAUHUCEW-UHFFFAOYSA-N 0 0 377.440 4.556 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)CCC4)cs2)cc1OC ZINC000007466617 570847181 /nfs/dbraw/zinc/84/71/81/570847181.db2.gz GPMRSVRDZKAWGT-UHFFFAOYSA-N 0 0 380.469 4.568 50 0 GJAARN CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccnc3)C2)cc1 ZINC000102402299 570848374 /nfs/dbraw/zinc/84/83/74/570848374.db2.gz YFDKDMBEMLIUAD-XMSQKQJNSA-N 0 0 385.471 4.862 50 0 GJAARN C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1 ZINC000012547640 570849401 /nfs/dbraw/zinc/84/94/01/570849401.db2.gz 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O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)N1CCCc2ccccc21 ZINC000033250372 570859654 /nfs/dbraw/zinc/85/96/54/570859654.db2.gz MBGVFFSOFMBQNF-UHFFFAOYSA-N 0 0 399.903 4.603 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C)nn4[C@@H]3c3ccccc3)C2)cc1 ZINC000102715051 570860330 /nfs/dbraw/zinc/86/03/30/570860330.db2.gz UODIEKVFTSZTSA-VGOFRKELSA-N 0 0 386.455 4.660 50 0 GJAARN O=C(NC1CCCCC1)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1 ZINC000033252533 570860785 /nfs/dbraw/zinc/86/07/85/570860785.db2.gz CYJXQFPXQMWYEW-UHFFFAOYSA-N 0 0 379.435 4.622 50 0 GJAARN CCOc1ccc(-c2ccc3nnc(SCc4ccccc4F)n3n2)cc1 ZINC000007509929 570860868 /nfs/dbraw/zinc/86/08/68/570860868.db2.gz OYUWIXNVMRBYFI-UHFFFAOYSA-N 0 0 380.448 4.621 50 0 GJAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4Cl)C3)c2c1C ZINC000033252495 570860922 /nfs/dbraw/zinc/86/09/22/570860922.db2.gz DITUOUQPVRNCSW-OAHLLOKOSA-N 0 0 398.894 4.657 50 0 GJAARN COc1ccc(-c2nc3c(s2)CN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000033255827 570863637 /nfs/dbraw/zinc/86/36/37/570863637.db2.gz 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ZINC000015063505 570874989 /nfs/dbraw/zinc/87/49/89/570874989.db2.gz SQMJVQDFVJTCGU-UHFFFAOYSA-N 0 0 384.479 4.928 50 0 GJAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012578402 570876283 /nfs/dbraw/zinc/87/62/83/570876283.db2.gz XDDMMLLAOVQBKO-QFIPXVFZSA-N 0 0 397.478 4.972 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1 ZINC000003582188 570876993 /nfs/dbraw/zinc/87/69/93/570876993.db2.gz PTOBEERULIUOAA-UHFFFAOYSA-N 0 0 384.439 4.585 50 0 GJAARN Cc1n[nH]c(C)c1CN(C)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl ZINC000015074064 570877912 /nfs/dbraw/zinc/87/79/12/570877912.db2.gz NDPZZVIDTMELMN-IBGZPJMESA-N 0 0 397.906 4.566 50 0 GJAARN Cc1ccc(F)cc1NC(=O)c1cccc([C@H]2CCCN(C(=O)NC(C)C)C2)c1 ZINC000033264316 570882304 /nfs/dbraw/zinc/88/23/04/570882304.db2.gz WCSXLTJVLFPPSE-IBGZPJMESA-N 0 0 397.494 4.684 50 0 GJAARN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)C1 ZINC000033264493 570882870 /nfs/dbraw/zinc/88/28/70/570882870.db2.gz PAWPAVSLRURDJI-HXUWFJFHSA-N 0 0 379.504 4.581 50 0 GJAARN Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCCOc4ccccc43)c2)cn1 ZINC000170626735 570883908 /nfs/dbraw/zinc/88/39/08/570883908.db2.gz DIGLOEAWRWFTHK-QFIPXVFZSA-N 0 0 388.467 4.613 50 0 GJAARN COc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1OC1CCCC1 ZINC000024506424 570884098 /nfs/dbraw/zinc/88/40/98/570884098.db2.gz BPWYCQAXBLGBDF-UHFFFAOYSA-N 0 0 394.471 4.617 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)o1 ZINC000032885609 570885046 /nfs/dbraw/zinc/88/50/46/570885046.db2.gz URFJBGNKTJCHEZ-UHFFFAOYSA-N 0 0 381.457 4.742 50 0 GJAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012598672 570885398 /nfs/dbraw/zinc/88/53/98/570885398.db2.gz PTGPXDNROCLMDG-LJQANCHMSA-N 0 0 396.560 4.672 50 0 GJAARN Cn1c(SCc2cccc3ccccc32)nnc1[C@H]1COc2ccccc2O1 ZINC000012598748 570885509 /nfs/dbraw/zinc/88/55/09/570885509.db2.gz UZBNMKQHMHMPDN-HXUWFJFHSA-N 0 0 389.480 4.773 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N(Cc3ccc(F)cc3)C3CC3)cs2)cc1 ZINC000012599079 570885887 /nfs/dbraw/zinc/88/58/87/570885887.db2.gz WCLYKRBIUOBMRW-UHFFFAOYSA-N 0 0 380.488 4.991 50 0 GJAARN COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c(Br)c2)cc1 ZINC000015300745 570887974 /nfs/dbraw/zinc/88/79/74/570887974.db2.gz FFYQNOPSRLZKIQ-SFHVURJKSA-N 0 0 376.294 4.803 50 0 GJAARN C/C(=C(\NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000103747639 570888506 /nfs/dbraw/zinc/88/85/06/570888506.db2.gz IDTXCSOUGOBDNO-LTGZKZEYSA-N 0 0 396.918 4.950 50 0 GJAARN O=C(NCc1ccccc1)NC[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000033267744 570889419 /nfs/dbraw/zinc/88/94/19/570889419.db2.gz RQFPTRMKNWJZQC-NRFANRHFSA-N 0 0 387.458 4.938 50 0 GJAARN CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000012610232 570889980 /nfs/dbraw/zinc/88/99/80/570889980.db2.gz LXZRMZJQDHPVID-MRXNPFEDSA-N 0 0 389.455 4.876 50 0 GJAARN CCn1nnc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)n1 ZINC000015356930 570892522 /nfs/dbraw/zinc/89/25/22/570892522.db2.gz JVFFHYMSFGRLIZ-UHFFFAOYSA-N 0 0 393.878 4.691 50 0 GJAARN O=C(COc1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000015355313 570892551 /nfs/dbraw/zinc/89/25/51/570892551.db2.gz RHIOIIZELOYDJQ-MRXNPFEDSA-N 0 0 386.860 4.751 50 0 GJAARN C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1nccs1 ZINC000042757422 570893467 /nfs/dbraw/zinc/89/34/67/570893467.db2.gz VEETVYZRJXFMBE-CQSZACIVSA-N 0 0 377.473 4.707 50 0 GJAARN Cc1ccc(N2CC(=O)N(c3cc(C)ccc3C)[C@@H](c3ccccc3)C2=O)cc1 ZINC000015413167 570893620 /nfs/dbraw/zinc/89/36/20/570893620.db2.gz UDOSELOFHWIPGH-DEOSSOPVSA-N 0 0 384.479 4.733 50 0 GJAARN Cc1cccc(C)c1NC(=O)[C@@]1(c2cccs2)CC(=O)N1c1ccccc1 ZINC000015413514 570893845 /nfs/dbraw/zinc/89/38/45/570893845.db2.gz QNHOKAYMSASUMN-QFIPXVFZSA-N 0 0 376.481 4.636 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1C ZINC000010499983 570894841 /nfs/dbraw/zinc/89/48/41/570894841.db2.gz MJZPOGBNEWFTLA-UHFFFAOYSA-N 0 0 393.512 4.516 50 0 GJAARN O=C(c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1)N1CCCC1 ZINC000013330400 570895499 /nfs/dbraw/zinc/89/54/99/570895499.db2.gz PYIPAGMKQCECBU-UHFFFAOYSA-N 0 0 393.434 4.750 50 0 GJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000004570484 570896125 /nfs/dbraw/zinc/89/61/25/570896125.db2.gz MYUWGOOFKHUOSK-UHFFFAOYSA-N 0 0 379.481 4.995 50 0 GJAARN CC(C)n1cc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)sc2c1 ZINC000097137773 570898283 /nfs/dbraw/zinc/89/82/83/570898283.db2.gz QVJWRHJEFJONDU-UHFFFAOYSA-N 0 0 387.936 4.900 50 0 GJAARN Cc1ccc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)cc1Cl ZINC000097161454 570898650 /nfs/dbraw/zinc/89/86/50/570898650.db2.gz FNWMMFPOIOJOCE-UHFFFAOYSA-N 0 0 376.847 4.545 50 0 GJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000015640939 570900219 /nfs/dbraw/zinc/90/02/19/570900219.db2.gz ZZODWHLBLRSRDW-UHFFFAOYSA-N 0 0 379.769 4.856 50 0 GJAARN CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C ZINC000004024027 570900651 /nfs/dbraw/zinc/90/06/51/570900651.db2.gz FCPKYEAPHJRRQX-HWZRGEEFSA-N 0 0 385.548 4.987 50 0 biogenic GJAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000046736005 570901415 /nfs/dbraw/zinc/90/14/15/570901415.db2.gz ADQDXYWQHVEFMB-UHFFFAOYSA-N 0 0 382.847 4.769 50 0 GJAARN O=C(Nc1ccc(NC(=O)[C@@H]2CC=CCC2)c(C(F)(F)F)c1)c1ccco1 ZINC000014809750 570902282 /nfs/dbraw/zinc/90/22/82/570902282.db2.gz QUZHEXFNESFTLI-GFCCVEGCSA-N 0 0 378.350 4.846 50 0 GJAARN CCOC(=O)C1=C(C)N[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1cccc2ccccc21 ZINC000250704226 570902726 /nfs/dbraw/zinc/90/27/26/570902726.db2.gz VJGOHOLAAFENKA-WTIAFYNJSA-N 0 0 391.511 4.738 50 0 GJAARN CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)c2cccnc12 ZINC000015841025 570906854 /nfs/dbraw/zinc/90/68/54/570906854.db2.gz WSPGLHLIAZCVFL-MRXNPFEDSA-N 0 0 378.472 4.992 50 0 GJAARN Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N(C)C)o1 ZINC000015860350 570907162 /nfs/dbraw/zinc/90/71/62/570907162.db2.gz HAGQEQUVZPKEKR-CQSZACIVSA-N 0 0 376.909 4.797 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC[C@H](C)C2)cc1 ZINC000023114519 570908107 /nfs/dbraw/zinc/90/81/07/570908107.db2.gz GDQCSSOWEPIINT-INIZCTEOSA-N 0 0 398.503 4.751 50 0 GJAARN COc1ccccc1OCCC(=O)OCc1csc(Nc2ccc(C)cc2)n1 ZINC000032910334 570911457 /nfs/dbraw/zinc/91/14/57/570911457.db2.gz VUAVNNKXGGTMTE-UHFFFAOYSA-N 0 0 398.484 4.716 50 0 GJAARN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000016086568 570913689 /nfs/dbraw/zinc/91/36/89/570913689.db2.gz DQCFNPQSHVXEKE-MRXNPFEDSA-N 0 0 379.481 4.596 50 0 GJAARN COc1ccc(NC(=O)Nc2nnc(SCCc3ccccc3)s2)cc1 ZINC000007573033 570913961 /nfs/dbraw/zinc/91/39/61/570913961.db2.gz RHCCICIAIHBDSK-UHFFFAOYSA-N 0 0 386.502 4.526 50 0 GJAARN Cc1c2ccccc2[nH]c(=O)c1-c1ccc(C(=O)N2CCC(F)(F)CC2)cc1 ZINC000534655533 570915558 /nfs/dbraw/zinc/91/55/58/570915558.db2.gz IXJFGWSTGWPPTM-UHFFFAOYSA-N 0 0 382.410 4.787 50 0 GJAARN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000089830401 570916793 /nfs/dbraw/zinc/91/67/93/570916793.db2.gz PNGHXYHFUBZMIZ-XMMPIXPASA-N 0 0 394.474 4.510 50 0 GJAARN CCN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 ZINC000023153866 570919648 /nfs/dbraw/zinc/91/96/48/570919648.db2.gz OGPXDWIJNNKVKH-UHFFFAOYSA-N 0 0 383.542 4.751 50 0 GJAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000005748691 570920836 /nfs/dbraw/zinc/92/08/36/570920836.db2.gz CIUDRPDXYRKULS-GJZGRUSLSA-N 0 0 386.542 4.630 50 0 GJAARN Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000017013516 570923888 /nfs/dbraw/zinc/92/38/88/570923888.db2.gz FSOZUGGIEDHEPN-UHFFFAOYSA-N 0 0 387.487 4.771 50 0 GJAARN COc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)c(Cl)c1 ZINC000004589658 570924591 /nfs/dbraw/zinc/92/45/91/570924591.db2.gz VJGDRLVXAGHUGB-UUASQNMZSA-N 0 0 382.630 5.000 50 0 GJAARN CC[C@H](NC(=O)CSCc1csc(C)n1)c1ccccc1OC(F)F ZINC000032914579 570925090 /nfs/dbraw/zinc/92/50/90/570925090.db2.gz HLPRBYVVTJVDKC-AWEZNQCLSA-N 0 0 386.489 4.554 50 0 GJAARN C[C@H](c1nc2ccccc2n1C(F)F)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000105722219 570931555 /nfs/dbraw/zinc/93/15/55/570931555.db2.gz DQVSASKKSQRENK-FZKQIMNGSA-N 0 0 375.394 4.705 50 0 GJAARN O=C(Nc1ccccc1OC(F)(F)F)c1cccc(OCc2cscn2)c1 ZINC000016725140 570931688 /nfs/dbraw/zinc/93/16/88/570931688.db2.gz XOJOINBRZHVNOG-UHFFFAOYSA-N 0 0 394.374 4.873 50 0 GJAARN Cc1ccc(C)c(NC(=O)NCCn2c3ncccc3nc2-c2ccccc2)c1 ZINC000046913595 570936006 /nfs/dbraw/zinc/93/60/06/570936006.db2.gz MPFMEBVAOLWLPZ-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN CCc1ccccc1NC(=O)NCCn1c2ncccc2nc1-c1ccc(C)cc1 ZINC000046913413 570936024 /nfs/dbraw/zinc/93/60/24/570936024.db2.gz DKQHJQYKCQPPMJ-UHFFFAOYSA-N 0 0 399.498 4.791 50 0 GJAARN O=C(NCc1csc(-c2ccccc2)n1)c1cc(-c2cccc(F)c2)no1 ZINC000032926794 570938413 /nfs/dbraw/zinc/93/84/13/570938413.db2.gz VOBUYCDYVBWABS-UHFFFAOYSA-N 0 0 379.416 4.534 50 0 GJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccccc1F ZINC000002096009 570941361 /nfs/dbraw/zinc/94/13/61/570941361.db2.gz ZCQJQCVUICCACK-UHFFFAOYSA-N 0 0 389.382 4.617 50 0 biogenic GJAARN COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c(OC)c1 ZINC000017120950 570941670 /nfs/dbraw/zinc/94/16/70/570941670.db2.gz ZWUIETQQDJDIIB-UHFFFAOYSA-N 0 0 395.850 4.538 50 0 GJAARN COc1ccc(CN(CC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000002100274 570942368 /nfs/dbraw/zinc/94/23/68/570942368.db2.gz SIEFQYYABPFRTB-IRLDBZIGSA-N 0 0 375.553 4.911 50 0 biogenic GJAARN Cc1ccc(-c2nnc(SC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)o2)c(C)c1 ZINC000170640025 570946384 /nfs/dbraw/zinc/94/63/84/570946384.db2.gz KYAPTZLQJZSKRA-OAHLLOKOSA-N 0 0 389.521 4.703 50 0 GJAARN Cc1nc2cccnc2n1-c1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000032932082 570946633 /nfs/dbraw/zinc/94/66/33/570946633.db2.gz FNNUAFWYBLFPFF-NRFANRHFSA-N 0 0 396.494 4.845 50 0 GJAARN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c1 ZINC000047208629 570948938 /nfs/dbraw/zinc/94/89/38/570948938.db2.gz XQLPOOAZFMLJLK-JOCHJYFZSA-N 0 0 391.515 4.506 50 0 GJAARN COc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000001249061 570950265 /nfs/dbraw/zinc/95/02/65/570950265.db2.gz WNUCBBSWWASGKB-OAQYLSRUSA-N 0 0 393.874 4.903 50 0 GJAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000263615189 570952311 /nfs/dbraw/zinc/95/23/11/570952311.db2.gz BBLDIMJXNFQMED-IBGZPJMESA-N 0 0 392.846 4.833 50 0 GJAARN COc1cccc(CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 ZINC000033278186 570952531 /nfs/dbraw/zinc/95/25/31/570952531.db2.gz MSGLVQBCJJLIIT-UHFFFAOYSA-N 0 0 394.521 4.963 50 0 GJAARN O=C(Nc1ccc(Cl)cn1)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033279039 570953286 /nfs/dbraw/zinc/95/32/86/570953286.db2.gz GRMZXISACYAKAW-UHFFFAOYSA-N 0 0 394.793 4.843 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000027161396 570953407 /nfs/dbraw/zinc/95/34/07/570953407.db2.gz NHRCMIONRSJALN-FQEVSTJZSA-N 0 0 381.472 4.500 50 0 GJAARN CCCN1C(=O)/C(=C/c2cc3c(cc2C)OCO3)S/C1=N\c1ccccc1 ZINC000001013990 570953637 /nfs/dbraw/zinc/95/36/37/570953637.db2.gz FPWHAVIJYYFREV-DRPNJFNCSA-N 0 0 380.469 4.738 50 0 GJAARN CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 ZINC000001288653 570954597 /nfs/dbraw/zinc/95/45/97/570954597.db2.gz USTRDCBJJNWRST-UHFFFAOYSA-N 0 0 386.542 4.719 50 0 GJAARN O=C(CCc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012024108 570956277 /nfs/dbraw/zinc/95/62/77/570956277.db2.gz KETBOIORAQSWKS-UHFFFAOYSA-N 0 0 381.479 4.788 50 0 GJAARN CC[C@@H](C)[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1 ZINC000012073336 570958119 /nfs/dbraw/zinc/95/81/19/570958119.db2.gz FEDAQJVYSMDQQB-ZHRRBRCNSA-N 0 0 380.488 4.590 50 0 GJAARN CC[C@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1 ZINC000012073345 570958142 /nfs/dbraw/zinc/95/81/42/570958142.db2.gz FEDAQJVYSMDQQB-KSFYIVLOSA-N 0 0 380.488 4.590 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(C)cc3)c(C)s2)sc1C ZINC000033290043 570960664 /nfs/dbraw/zinc/96/06/64/570960664.db2.gz BMTVJYXRAXHTTN-UHFFFAOYSA-N 0 0 392.571 4.584 50 0 GJAARN COc1ccc([C@H]2CCCCN(C(=O)c3cc4cccc(OC)c4o3)C2)cc1 ZINC000208002611 570960731 /nfs/dbraw/zinc/96/07/31/570960731.db2.gz VTRJLISXZZHWIE-SFHVURJKSA-N 0 0 379.456 4.860 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3)c(C)s2)sc1C ZINC000033290099 570960758 /nfs/dbraw/zinc/96/07/58/570960758.db2.gz JMGFAAUMDCJXPD-UHFFFAOYSA-N 0 0 378.544 4.906 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(C)s2)sc1C ZINC000033290040 570960782 /nfs/dbraw/zinc/96/07/82/570960782.db2.gz MDMXGPHDAQZYMG-UHFFFAOYSA-N 0 0 382.507 4.737 50 0 GJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccccc1 ZINC000033290155 570961127 /nfs/dbraw/zinc/96/11/27/570961127.db2.gz PVKSTSIPQIVTMU-UHFFFAOYSA-N 0 0 392.571 4.782 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C)cc2s1 ZINC000033298805 570962482 /nfs/dbraw/zinc/96/24/82/570962482.db2.gz YYJXLDNPEUBIBS-UHFFFAOYSA-N 0 0 384.935 4.781 50 0 GJAARN O=c1[nH]c(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)[nH]1 ZINC000000639004 570963127 /nfs/dbraw/zinc/96/31/27/570963127.db2.gz JJOLJNZIRYMBPU-UHFFFAOYSA-N 0 0 394.066 4.562 50 0 GJAARN Cc1cccc(Oc2ncccc2NC(=O)N2CCC3(C2)CCOCC3)c1C ZINC000170643965 570971525 /nfs/dbraw/zinc/97/15/25/570971525.db2.gz QTPSKWSJOORFBM-UHFFFAOYSA-N 0 0 381.476 4.525 50 0 GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cc(F)cc(F)c1 ZINC000033312572 570971927 /nfs/dbraw/zinc/97/19/27/570971927.db2.gz HGAWVGWGSJCEPR-UHFFFAOYSA-N 0 0 388.443 4.521 50 0 GJAARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@]1(O)[C@@H]1CCCCCC1=O ZINC000004769843 570973144 /nfs/dbraw/zinc/97/31/44/570973144.db2.gz KDRIXBWHNIATND-GJZUVCINSA-N 0 0 399.490 4.724 50 0 GJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000033317625 570973648 /nfs/dbraw/zinc/97/36/48/570973648.db2.gz IKSYBHKMKCORNK-OAQYLSRUSA-N 0 0 391.515 4.806 50 0 GJAARN Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1C ZINC000033320574 570976816 /nfs/dbraw/zinc/97/68/16/570976816.db2.gz VJCCUQRFLICUMR-UHFFFAOYSA-N 0 0 396.494 4.926 50 0 GJAARN CC(C)CC(=O)Nc1cccc(N2CCn3c4ccc(Cl)cc4nc3C2)c1 ZINC000033320627 570977068 /nfs/dbraw/zinc/97/70/68/570977068.db2.gz QBKLWQGKUNABAP-UHFFFAOYSA-N 0 0 382.895 4.695 50 0 GJAARN COc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC ZINC000044859703 570978304 /nfs/dbraw/zinc/97/83/04/570978304.db2.gz NILVFPRZURDMRP-RBUKOAKNSA-N 0 0 378.476 4.565 50 0 GJAARN O=C(COc1ccccc1-c1noc(-c2ccccc2F)n1)Nc1ccccc1 ZINC000033324942 570978980 /nfs/dbraw/zinc/97/89/80/570978980.db2.gz UBWSRYUDHRNNQF-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN Cc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccccc2)no1 ZINC000033324936 570979052 /nfs/dbraw/zinc/97/90/52/570979052.db2.gz NMRWRVBPCKJQNP-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000044838073 570979239 /nfs/dbraw/zinc/97/92/39/570979239.db2.gz NVZVVHWMUWDREU-UHFFFAOYSA-N 0 0 385.423 4.659 50 0 GJAARN Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000033327229 570981839 /nfs/dbraw/zinc/98/18/39/570981839.db2.gz MYEINIRWYPXCMF-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000044921663 570983935 /nfs/dbraw/zinc/98/39/35/570983935.db2.gz BIZURPWINFCHQI-OAQYLSRUSA-N 0 0 380.532 4.540 50 0 GJAARN COc1cccc(CSc2nnc3c4ccccc4nc(-c4ccco4)n23)c1 ZINC000033328879 570985206 /nfs/dbraw/zinc/98/52/06/570985206.db2.gz SIIOWQQOFFURPC-UHFFFAOYSA-N 0 0 388.452 4.838 50 0 GJAARN Cc1ccc(N(C(=O)c2cnc(-c3ccccn3)s2)C2CCCCC2)nc1 ZINC000108203898 570985424 /nfs/dbraw/zinc/98/54/24/570985424.db2.gz WFGGFMBZVJFPNU-UHFFFAOYSA-N 0 0 378.501 4.888 50 0 GJAARN O=C1C2=C(CCCC2)[C@@H](c2c[nH]c3ccccc32)N1Cc1ccc2c(c1)OCO2 ZINC000004778866 570985674 /nfs/dbraw/zinc/98/56/74/570985674.db2.gz KWEHFUQPBCDEOV-QHCPKHFHSA-N 0 0 386.451 4.851 50 0 GJAARN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(-c2ccccc2F)s1 ZINC000116688884 570986624 /nfs/dbraw/zinc/98/66/24/570986624.db2.gz LPJOFUMQXVUPMN-SANMLTNESA-N 0 0 387.501 4.993 50 0 GJAARN COc1ccccc1Cc1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 ZINC000083980408 570986935 /nfs/dbraw/zinc/98/69/35/570986935.db2.gz YHJCMFJZHUEBLR-UHFFFAOYSA-N 0 0 384.395 4.539 50 0 GJAARN COc1ccccc1NC(=O)[C@H](C)SCc1ccc(OC(F)F)c(OC)c1 ZINC000045090317 570987090 /nfs/dbraw/zinc/98/70/90/570987090.db2.gz DFOTULVUIQOPDP-LBPRGKRZSA-N 0 0 397.443 4.566 50 0 GJAARN CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1N1CCCCC1 ZINC000012744448 570987558 /nfs/dbraw/zinc/98/75/58/570987558.db2.gz WWMUCRUFLPLCHK-UHFFFAOYSA-N 0 0 389.902 4.540 50 0 GJAARN O=C(/C=C\c1ccco1)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000033336222 570989382 /nfs/dbraw/zinc/98/93/82/570989382.db2.gz IFSBDLDBDOUIOK-QBFSEMIESA-N 0 0 380.407 4.819 50 0 GJAARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccncc2)C1C(=O)OC1CCCCC1 ZINC000004787226 570990390 /nfs/dbraw/zinc/99/03/90/570990390.db2.gz NVORWFVJKZPPDE-NRFANRHFSA-N 0 0 388.471 4.596 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1nc(-c2cccs2)oc1C ZINC000084027038 570990725 /nfs/dbraw/zinc/99/07/25/570990725.db2.gz JDNQCJQXFXZATN-ZDUSSCGKSA-N 0 0 394.452 4.929 50 0 GJAARN Cc1cc2ccccc2n1CCNC(=O)c1cc(Br)ccc1Cl ZINC000004800983 570995201 /nfs/dbraw/zinc/99/52/01/570995201.db2.gz IOANARUJXBHTRX-UHFFFAOYSA-N 0 0 391.696 4.796 50 0 GJAARN Cc1cc(N)nc(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000084114576 570999359 /nfs/dbraw/zinc/99/93/59/570999359.db2.gz ABHFMCWXPZXYHB-ZDUSSCGKSA-N 0 0 394.525 4.677 50 0 GJAARN CCOc1ccc(CC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000007614753 571001641 /nfs/dbraw/zinc/00/16/41/571001641.db2.gz DEDTUKJUCCCEAS-UHFFFAOYSA-N 0 0 383.498 4.794 50 0 GJAARN COc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000045942523 571003923 /nfs/dbraw/zinc/00/39/23/571003923.db2.gz YRZGKKLWTNKHKW-NRFANRHFSA-N 0 0 375.399 4.892 50 0 GJAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)c1 ZINC000045942879 571004374 /nfs/dbraw/zinc/00/43/74/571004374.db2.gz FNQLYAUTOBPCQK-UHFFFAOYSA-N 0 0 397.887 4.520 50 0 GJAARN CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCSc4ccccc43)cc12 ZINC000084169935 571005096 /nfs/dbraw/zinc/00/50/96/571005096.db2.gz MIQVQZUWRPBESP-INIZCTEOSA-N 0 0 381.501 4.778 50 0 GJAARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1OC ZINC000045943341 571005060 /nfs/dbraw/zinc/00/50/60/571005060.db2.gz ADSJOEIYNHTBBT-UHFFFAOYSA-N 0 0 398.484 4.706 50 0 GJAARN CCc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000046012009 571010396 /nfs/dbraw/zinc/01/03/96/571010396.db2.gz CNYKWOFTQFSHCT-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN Cc1cccc2c1C(=O)N[C@@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)N2 ZINC000084229764 571010527 /nfs/dbraw/zinc/01/05/27/571010527.db2.gz JICLLNHDOMEGIT-INIZCTEOSA-N 0 0 389.402 4.991 50 0 GJAARN Cc1ccnn1-c1cccc(NC(=O)c2[nH]c3ccccc3c2Br)c1 ZINC000084251011 571010979 /nfs/dbraw/zinc/01/09/79/571010979.db2.gz RYINQIYGLLBOCG-UHFFFAOYSA-N 0 0 395.260 4.677 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c(Cl)c1 ZINC000046045575 571014525 /nfs/dbraw/zinc/01/45/25/571014525.db2.gz XYUYNXJCDCTJIJ-KRWDZBQOSA-N 0 0 384.907 4.756 50 0 GJAARN CN(Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007674341 571014763 /nfs/dbraw/zinc/01/47/63/571014763.db2.gz HPXYNNCYQVDCGY-QGZVFWFLSA-N 0 0 391.496 4.754 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056505 571016413 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376.334 4.616 50 0 GJAARN CCOc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)c1 ZINC000002384975 209360557 /nfs/dbraw/zinc/36/05/57/209360557.db2.gz PZMKRVCVNWVQPV-UHFFFAOYSA-N 0 0 395.315 4.657 50 0 GJAARN CCCOc1ccc(-c2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000002361003 209358791 /nfs/dbraw/zinc/35/87/91/209358791.db2.gz LFMIQUSVUSMYIQ-UHFFFAOYSA-N 0 0 384.461 4.647 50 0 GJAARN O=S(=O)(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 ZINC000002363106 209358461 /nfs/dbraw/zinc/35/84/61/209358461.db2.gz HCGLWSZJIZKYSX-UHFFFAOYSA-N 0 0 383.860 4.684 50 0 GJAARN Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc1 ZINC000002329228 209357712 /nfs/dbraw/zinc/35/77/12/209357712.db2.gz UYOCODLGNGUXRC-HNNXBMFYSA-N 0 0 391.858 4.603 50 0 GJAARN COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000002344429 209357004 /nfs/dbraw/zinc/35/70/04/209357004.db2.gz KDTKRGLKFSUOIG-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)c(OC)c1 ZINC000002286839 209355130 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FC(F)(F)C1(C(F)(F)F)N=C2C=CC=CN2C(c2ccc(Cl)cc2)=N1 ZINC000002050481 209343427 /nfs/dbraw/zinc/34/34/27/209343427.db2.gz GOGMMGFSCKGKSS-UHFFFAOYSA-N 0 0 379.691 4.705 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)cc1 ZINC000010393025 209339037 /nfs/dbraw/zinc/33/90/37/209339037.db2.gz NJFFDLGIIGCJNI-UHFFFAOYSA-N 0 0 399.450 4.677 50 0 GJAARN CCOC(=O)c1c(NC(=O)CCCOc2ccccc2)sc2c1CCCC2 ZINC000001779466 209338697 /nfs/dbraw/zinc/33/86/97/209338697.db2.gz FVJGIXGQKUXJGD-UHFFFAOYSA-N 0 0 387.501 4.601 50 0 GJAARN Cc1c(C(=O)c2ccc(C(C)(C)C)cc2)sc2nc3ccccc3c(=O)n12 ZINC000001771999 209338264 /nfs/dbraw/zinc/33/82/64/209338264.db2.gz UXNJXSOVHYNNDJ-UHFFFAOYSA-N 0 0 376.481 4.746 50 0 GJAARN Cc1cccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C ZINC000001393720 209325226 /nfs/dbraw/zinc/32/52/26/209325226.db2.gz NACXHTVWSMDDKW-UHFFFAOYSA-N 0 0 389.377 4.944 50 0 GJAARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccs3)C[C@H]21 ZINC000010216143 209322637 /nfs/dbraw/zinc/32/26/37/209322637.db2.gz 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209310930 /nfs/dbraw/zinc/31/09/30/209310930.db2.gz FBGDQCIZFYVPOZ-SDNWHVSQSA-N 0 0 375.447 4.704 50 0 GJAARN CCOc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccco1)CCC2 ZINC000001214461 209314847 /nfs/dbraw/zinc/31/48/47/209314847.db2.gz MOSLYWDPYMZWHO-UHFFFAOYSA-N 0 0 396.468 4.733 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000001207208 209314270 /nfs/dbraw/zinc/31/42/70/209314270.db2.gz OOVFUWGDUCELHK-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN CCOc1ccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)cc1 ZINC000001194652 209313946 /nfs/dbraw/zinc/31/39/46/209313946.db2.gz PANUIDPZSLCELI-UHFFFAOYSA-N 0 0 398.528 4.733 50 0 GJAARN O=C1OC(c2cccs2)=N/C1=C\c1ccccc1OCc1cccc(F)c1 ZINC000001193694 209312197 /nfs/dbraw/zinc/31/21/97/209312197.db2.gz ZVRWDHHIVXQUAR-ATVHPVEESA-N 0 0 379.412 4.811 50 0 GJAARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000001165510 209309148 /nfs/dbraw/zinc/30/91/48/209309148.db2.gz IELSOMLFFITRDB-UHFFFAOYSA-N 0 0 391.496 4.561 50 0 GJAARN CC1(C)C[C@@H]([C@@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 ZINC000001175602 209309718 /nfs/dbraw/zinc/30/97/18/209309718.db2.gz VFBYROKFRKGQQU-OALUTQOASA-N 0 0 377.484 4.662 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)OCc1cccc(C(=O)Oc2ccccc2)c1 ZINC000001124230 209304008 /nfs/dbraw/zinc/30/40/08/209304008.db2.gz XMKYHHKANDWOFF-UHFFFAOYSA-N 0 0 380.827 4.845 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000001138437 209305798 /nfs/dbraw/zinc/30/57/98/209305798.db2.gz KLOLQAALCKIEIE-UHFFFAOYSA-N 0 0 394.283 4.697 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccccc2)cc1 ZINC000001142990 209305425 /nfs/dbraw/zinc/30/54/25/209305425.db2.gz OHPFOTJQKBFFLN-UHFFFAOYSA-N 0 0 394.858 4.531 50 0 GJAARN CCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(OC)cc1 ZINC000001120131 209303121 /nfs/dbraw/zinc/30/31/21/209303121.db2.gz AGFIAFWHSKRXNM-UHFFFAOYSA-N 0 0 384.867 4.660 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc2c(c1)OCO2 ZINC000001116345 209303126 /nfs/dbraw/zinc/30/31/26/209303126.db2.gz RUPUSIJAZNJOKI-UHFFFAOYSA-N 0 0 395.436 4.573 50 0 GJAARN COc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1cc2ccccc2oc1=O ZINC000001104852 209301534 /nfs/dbraw/zinc/30/15/34/209301534.db2.gz LAHYDGZTNAJIBW-PKNBQFBNSA-N 0 0 387.391 4.714 50 0 GJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000001096451 209299307 /nfs/dbraw/zinc/29/93/07/209299307.db2.gz XCRMOBDBRKDUPQ-AWEZNQCLSA-N 0 0 388.920 4.695 50 0 GJAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccnc1Cl ZINC000001093221 209300276 /nfs/dbraw/zinc/30/02/76/209300276.db2.gz WNZVBPYIICLMQO-UHFFFAOYSA-N 0 0 398.253 4.683 50 0 GJAARN CCOc1ccccc1C(=O)Nc1nnc(SCc2ccccc2C)s1 ZINC000001079487 209298245 /nfs/dbraw/zinc/29/82/45/209298245.db2.gz HDPSAMYDHRCIMB-UHFFFAOYSA-N 0 0 385.514 4.790 50 0 GJAARN O[C@H](Cn1ccc2ccccc21)Cn1c2ccccc2nc1Cc1ccccc1 ZINC000001076792 209296541 /nfs/dbraw/zinc/29/65/41/209296541.db2.gz DTULNVHCDCVZTD-OAQYLSRUSA-N 0 0 381.479 4.643 50 0 GJAARN CCOc1cc(Cl)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1Cl ZINC000001068074 209295840 /nfs/dbraw/zinc/29/58/40/209295840.db2.gz CGOOLVXUCMDUMC-LLVKDONJSA-N 0 0 386.300 4.532 50 0 GJAARN Fc1cccc(Cl)c1CNc1n[nH]c(NCc2c(F)cccc2Cl)n1 ZINC000001068489 209295227 /nfs/dbraw/zinc/29/52/27/209295227.db2.gz JLQATMMFFOICNC-UHFFFAOYSA-N 0 0 384.217 4.614 50 0 GJAARN COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 ZINC000001068286 209295927 /nfs/dbraw/zinc/29/59/27/209295927.db2.gz WXFBJEAXHYLCHX-UHFFFAOYSA-N 0 0 384.284 4.973 50 0 GJAARN CC[C@@]1(C)Cc2c(sc3nc(SCCc4ccccc4)nc(N)c32)CO1 ZINC000001068215 209294727 /nfs/dbraw/zinc/29/47/27/209294727.db2.gz PEXQWFALWLFQCF-FQEVSTJZSA-N 0 0 385.558 4.850 50 0 GJAARN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(F)cc1 ZINC000001058137 209294393 /nfs/dbraw/zinc/29/43/93/209294393.db2.gz RUSBYGWNRADNMO-UHFFFAOYSA-N 0 0 392.459 4.505 50 0 GJAARN O=C(Nc1ccccc1)OC(CSc1ccccn1)CSc1ccccn1 ZINC000001049007 209294426 /nfs/dbraw/zinc/29/44/26/209294426.db2.gz NITYEVPFMGODIH-UHFFFAOYSA-N 0 0 397.525 4.978 50 0 GJAARN O=S(=O)(c1nc(-c2cccs2)oc1NCc1ccccc1)c1ccccc1 ZINC000001052912 209294519 /nfs/dbraw/zinc/29/45/19/209294519.db2.gz AWQDXMCXLPGDBO-UHFFFAOYSA-N 0 0 396.493 4.848 50 0 GJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC2CC2)o1 ZINC000001052811 209294275 /nfs/dbraw/zinc/29/42/75/209294275.db2.gz BKHONXQRZHXDIW-UHFFFAOYSA-N 0 0 388.876 4.711 50 0 GJAARN Cc1ccc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000001056935 209294386 /nfs/dbraw/zinc/29/43/86/209294386.db2.gz OZQSCHUKILLJML-UHFFFAOYSA-N 0 0 391.492 4.946 50 0 GJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)Oc1ccccc1 ZINC000001058014 209293951 /nfs/dbraw/zinc/29/39/51/209293951.db2.gz ONUNWYLPLQNNSR-QFIPXVFZSA-N 0 0 399.450 4.506 50 0 biogenic GJAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C(F)(F)F ZINC000001046603 209292589 /nfs/dbraw/zinc/29/25/89/209292589.db2.gz BEHFSWGMVGJJES-GOSISDBHSA-N 0 0 389.377 4.870 50 0 GJAARN O=C(NCc1csc(-c2cccs2)n1)c1csc(-c2ccccc2)n1 ZINC000001034830 209291049 /nfs/dbraw/zinc/29/10/49/209291049.db2.gz SOLTUQRBALLNGV-UHFFFAOYSA-N 0 0 383.523 4.925 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@H](c2ccccc2)[C@@H]1C ZINC000001024793 209290685 /nfs/dbraw/zinc/29/06/85/209290685.db2.gz IHUKAQXRDINMFJ-QKKBWIMNSA-N 0 0 396.874 4.906 50 0 GJAARN COc1c(Cl)cc(Cl)c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C ZINC000001031326 209290104 /nfs/dbraw/zinc/29/01/04/209290104.db2.gz CPIXSMLFVDUXRK-UHFFFAOYSA-N 0 0 397.258 4.589 50 0 GJAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1 ZINC000001013797 209289344 /nfs/dbraw/zinc/28/93/44/209289344.db2.gz SLVQIXLOABMZKC-CYBMUJFWSA-N 0 0 387.501 4.699 50 0 GJAARN CC[C@@H](C(=O)Nc1ccc(I)cc1C)c1ccccc1 ZINC000000997983 209287754 /nfs/dbraw/zinc/28/77/54/209287754.db2.gz ONNNAKKHUSRECI-OAHLLOKOSA-N 0 0 379.241 4.732 50 0 GJAARN CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccccc2)cc1 ZINC000000993173 209287409 /nfs/dbraw/zinc/28/74/09/209287409.db2.gz VNNNCNRQUIZZGH-UHFFFAOYSA-N 0 0 375.424 4.599 50 0 GJAARN COC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCCC2 ZINC000000982948 209286385 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/nfs/dbraw/zinc/03/85/93/204038593.db2.gz PPBNDQVMYWIOHV-SOFGYWHQSA-N 0 0 395.311 4.685 50 0 GJAARN COc1ccccc1CSc1nnc(-c2ccco2)n1-c1ccccc1OC ZINC000004358559 204040157 /nfs/dbraw/zinc/04/01/57/204040157.db2.gz ZGDQMYNACZXCPP-UHFFFAOYSA-N 0 0 393.468 4.837 50 0 GJAARN Cc1ccc(-n2ncc3c2ncnc3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004355035 204040242 /nfs/dbraw/zinc/04/02/42/204040242.db2.gz WDMWVLXSQSVCCT-UHFFFAOYSA-N 0 0 383.499 4.583 50 0 GJAARN Cc1ccc(-n2c(SCC(=O)OC(C)(C)C)nnc2-c2cccc(C)c2)cc1 ZINC000004365652 204041494 /nfs/dbraw/zinc/04/14/94/204041494.db2.gz PBWUTWQWZKUIEA-UHFFFAOYSA-N 0 0 395.528 4.985 50 0 GJAARN COc1ccccc1NC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000004384087 204041555 /nfs/dbraw/zinc/04/15/55/204041555.db2.gz DYGXGWPEELYKIO-UHFFFAOYSA-N 0 0 379.460 4.614 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)COc3ncnc4ccccc43)ccc21 ZINC000003300962 203996832 /nfs/dbraw/zinc/99/68/32/203996832.db2.gz FVXHABQMDLHKEK-UHFFFAOYSA-N 0 0 396.450 4.775 50 0 GJAARN CC(C)(C)c1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1 ZINC000003342216 203998535 /nfs/dbraw/zinc/99/85/35/203998535.db2.gz UOVQLXIMLAUVCT-UHFFFAOYSA-N 0 0 377.278 4.982 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C ZINC000003355595 204001066 /nfs/dbraw/zinc/00/10/66/204001066.db2.gz ADBRGUXYTSWZKZ-CYBMUJFWSA-N 0 0 394.475 4.774 50 0 GJAARN CCCc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2OC)cc1 ZINC000003361808 204001698 /nfs/dbraw/zinc/00/16/98/204001698.db2.gz NAUJEOBXRNDOQS-HNNXBMFYSA-N 0 0 381.501 4.592 50 0 GJAARN COC(=O)c1ccc(C=CC(=O)O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003362543 204002098 /nfs/dbraw/zinc/00/20/98/204002098.db2.gz VTDZKLGWSPRKRF-WPBGYSLVSA-N 0 0 394.467 4.599 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C)s2)c2ccccc2)c1 ZINC000003368160 204003093 /nfs/dbraw/zinc/00/30/93/204003093.db2.gz NXJGIZNUUPTYRX-QGZVFWFLSA-N 0 0 383.498 4.521 50 0 GJAARN CC(C)c1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003372006 204003421 /nfs/dbraw/zinc/00/34/21/204003421.db2.gz 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/nfs/dbraw/zinc/01/40/00/204014000.db2.gz ICOZFZDFBPZAKI-LJQANCHMSA-N 0 0 383.542 4.750 50 0 GJAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000003582441 204014112 /nfs/dbraw/zinc/01/41/12/204014112.db2.gz GHUORJAIAHWKDE-NRFANRHFSA-N 0 0 395.503 4.828 50 0 GJAARN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1c2cccc3cccc(c23)C1=O ZINC000003612622 204015944 /nfs/dbraw/zinc/01/59/44/204015944.db2.gz BETSPDZGAGTDGB-LBPRGKRZSA-N 0 0 384.357 4.846 50 0 GJAARN CCCCSc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000003883006 204021233 /nfs/dbraw/zinc/02/12/33/204021233.db2.gz KQQHWJMCDRVZCB-OAHLLOKOSA-N 0 0 377.510 4.770 50 0 GJAARN COc1cccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 ZINC000035181604 204023916 /nfs/dbraw/zinc/02/39/16/204023916.db2.gz CMVXEFKMOOHWMB-UHFFFAOYSA-N 0 0 389.480 4.765 50 0 GJAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1Cc1ccccc1 ZINC000004033501 204024443 /nfs/dbraw/zinc/02/44/43/204024443.db2.gz HGEIHTWJZIFYQN-HXUWFJFHSA-N 0 0 399.469 4.740 50 0 GJAARN Cc1c(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)nc2ncccn12 ZINC000004033206 204024450 /nfs/dbraw/zinc/02/44/50/204024450.db2.gz MYCOBMKDZJGPHG-UHFFFAOYSA-N 0 0 396.372 4.976 50 0 GJAARN COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@]21CCOC(C)(C)C1 ZINC000004039409 204024812 /nfs/dbraw/zinc/02/48/12/204024812.db2.gz FMIWDKMHNWWDFR-WMZHIEFXSA-N 0 0 378.472 4.524 50 0 biogenic GJAARN FC(F)(F)c1cc(C2CC2)n(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1 ZINC000004078063 204026849 /nfs/dbraw/zinc/02/68/49/204026849.db2.gz KKPVCCJZCXDVOE-UHFFFAOYSA-N 0 0 388.271 4.837 50 0 GJAARN CC(=O)c1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000004134664 204028720 /nfs/dbraw/zinc/02/87/20/204028720.db2.gz BAYZXJCPUPOMNF-UHFFFAOYSA-N 0 0 379.466 4.875 50 0 GJAARN COc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1 ZINC000004185707 204031783 /nfs/dbraw/zinc/03/17/83/204031783.db2.gz XDJKFBANGXQDHS-UHFFFAOYSA-N 0 0 392.459 4.769 50 0 GJAARN CCCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(C)ccc21 ZINC000004193414 204032895 /nfs/dbraw/zinc/03/28/95/204032895.db2.gz VZINEZZTYDTIGB-UHFFFAOYSA-N 0 0 383.513 4.505 50 0 GJAARN CC(=O)Oc1ccc(Cl)cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 ZINC000004223216 204033102 /nfs/dbraw/zinc/03/31/02/204033102.db2.gz NOAVEGLHKGCBAU-JXMROGBWSA-N 0 0 381.815 4.909 50 0 GJAARN O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000004248739 204034212 /nfs/dbraw/zinc/03/42/12/204034212.db2.gz JACFVQJIQNSFQB-UHFFFAOYSA-N 0 0 391.471 4.955 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 ZINC000004252258 204034519 /nfs/dbraw/zinc/03/45/19/204034519.db2.gz MEEAFMADTBMRAT-UHFFFAOYSA-N 0 0 389.480 4.969 50 0 GJAARN CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 ZINC000004703028 204066672 /nfs/dbraw/zinc/06/66/72/204066672.db2.gz FSZZURFIJRRMMN-LJQANCHMSA-N 0 0 394.515 4.810 50 0 GJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004715764 204067829 /nfs/dbraw/zinc/06/78/29/204067829.db2.gz WKYZGWHPELJVNR-AVRDEDQJSA-N 0 0 376.412 4.539 50 0 GJAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C ZINC000004717223 204067900 /nfs/dbraw/zinc/06/79/00/204067900.db2.gz CJNLULVRNIRSID-FPOVZHCZSA-N 0 0 376.500 4.794 50 0 GJAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CC3)c3ncnn32)cc1 ZINC000004732721 204069277 /nfs/dbraw/zinc/06/92/77/204069277.db2.gz AHHJBNSSTGPYAZ-PMACEKPBSA-N 0 0 392.890 4.717 50 0 GJAARN Cc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn21 ZINC000004734110 204071172 /nfs/dbraw/zinc/07/11/72/204071172.db2.gz DOKNSLNPGVYFII-UHFFFAOYSA-N 0 0 399.498 4.593 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc2c(c1)OCO2 ZINC000004739340 204072294 /nfs/dbraw/zinc/07/22/94/204072294.db2.gz VXHXHVJUASYKEO-UHFFFAOYSA-N 0 0 392.377 4.677 50 0 GJAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCc3ccccc3)c(=O)oc1c2C ZINC000004743812 204072570 /nfs/dbraw/zinc/07/25/70/204072570.db2.gz OERFFSNZNRROBR-UHFFFAOYSA-N 0 0 389.451 4.713 50 0 GJAARN CC(C)(C)c1ccc(C2=N/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)O2)cc1 ZINC000004749072 204073317 /nfs/dbraw/zinc/07/33/17/204073317.db2.gz RBYGLEFRCLXHCP-PXNMLYILSA-N 0 0 383.831 4.711 50 0 GJAARN COc1cccc2cc(-c3cn4c(n3)sc3cc(Cl)ccc34)c(=O)oc21 ZINC000004755012 204073659 /nfs/dbraw/zinc/07/36/59/204073659.db2.gz QMFNTDDSHSUHFA-UHFFFAOYSA-N 0 0 382.828 4.984 50 0 GJAARN COc1cccc(-c2cc(C(F)(F)F)nc(N3CCc4ccccc4C3)n2)c1 ZINC000004757746 204074057 /nfs/dbraw/zinc/07/40/57/204074057.db2.gz RPDWVYLBMPAFHS-UHFFFAOYSA-N 0 0 385.389 4.734 50 0 GJAARN COc1cccc([C@H]2O[C@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)c1OC ZINC000004788979 204075696 /nfs/dbraw/zinc/07/56/96/204075696.db2.gz VQIZEMZOHPZSDU-VELBRHGASA-N 0 0 384.472 4.867 50 0 GJAARN CC1(C)C[C@@H](n2c(=O)c3ccccc3nc2SCCc2ccccc2)CCO1 ZINC000004795364 204076714 /nfs/dbraw/zinc/07/67/14/204076714.db2.gz OSXFKGDAGJBZAU-SFHVURJKSA-N 0 0 394.540 4.861 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000004809497 204077067 /nfs/dbraw/zinc/07/70/67/204077067.db2.gz BUZIXCHPDJBWCU-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN CCCCOc1ccc(CNC(=S)NCc2ccc(OCCC)cc2)cc1 ZINC000004825492 204079449 /nfs/dbraw/zinc/07/94/49/204079449.db2.gz BSZNRXXFKLUMSC-UHFFFAOYSA-N 0 0 386.561 4.819 50 0 GJAARN COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000004839191 204080315 /nfs/dbraw/zinc/08/03/15/204080315.db2.gz YFGODWFTHUUZKJ-UHFFFAOYSA-N 0 0 390.483 4.942 50 0 GJAARN COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)c(Br)cc1O ZINC000004866182 204084118 /nfs/dbraw/zinc/08/41/18/204084118.db2.gz ONRZXMUZUDEKOI-CQSZACIVSA-N 0 0 398.256 4.791 50 0 GJAARN COc1cc2c(cc1NC(=O)c1ccccc1OC(C)=O)oc1ccccc12 ZINC000004869033 204084852 /nfs/dbraw/zinc/08/48/52/204084852.db2.gz FEYAVGWMTMMINW-UHFFFAOYSA-N 0 0 375.380 4.772 50 0 GJAARN CCCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 ZINC000004883022 204085990 /nfs/dbraw/zinc/08/59/90/204085990.db2.gz KEVXWLOMNOXTTO-XSFVSMFZSA-N 0 0 396.512 4.981 50 0 GJAARN Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000004891449 204086796 /nfs/dbraw/zinc/08/67/96/204086796.db2.gz PKUSCANWQCZFGE-UHFFFAOYSA-N 0 0 395.503 4.978 50 0 GJAARN CCc1ccc(CNC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1 ZINC000004901134 204088244 /nfs/dbraw/zinc/08/82/44/204088244.db2.gz DUOXWQUNCHUVCD-UHFFFAOYSA-N 0 0 376.481 4.951 50 0 GJAARN C[C@H](C(=O)NCc1cccnc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000004909371 204089421 /nfs/dbraw/zinc/08/94/21/204089421.db2.gz JXVCLXYWHNYZFA-OAHLLOKOSA-N 0 0 390.874 4.629 50 0 GJAARN C[C@@H](c1ccccc1)n1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000004906606 204089427 /nfs/dbraw/zinc/08/94/27/204089427.db2.gz PNLIKNYEMNYTKQ-SFHVURJKSA-N 0 0 375.516 4.885 50 0 GJAARN O=C(NCCc1nc2ccccc2n1CCc1ccccc1)C1CCCCC1 ZINC000004384988 204043609 /nfs/dbraw/zinc/04/36/09/204043609.db2.gz WXJXTCNFNZBQAY-UHFFFAOYSA-N 0 0 375.516 4.518 50 0 GJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)s1 ZINC000004392170 204043763 /nfs/dbraw/zinc/04/37/63/204043763.db2.gz NWJIXCGZPBOKLF-UHFFFAOYSA-N 0 0 384.530 4.565 50 0 GJAARN CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000004578088 204054204 /nfs/dbraw/zinc/05/42/04/204054204.db2.gz WCRGXBRYORWHRO-RNJZWHOHSA-N 0 0 397.968 4.622 50 0 GJAARN O=C(COc1ccc(C2CCCCC2)cc1)NCCOc1ccc(Cl)cc1 ZINC000004580298 204054933 /nfs/dbraw/zinc/05/49/33/204054933.db2.gz YBZDDOZDKNDPIV-UHFFFAOYSA-N 0 0 387.907 4.962 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N(C)c1ccccc1 ZINC000004596933 204057084 /nfs/dbraw/zinc/05/70/84/204057084.db2.gz LNMNGACDXKIPQN-CQSZACIVSA-N 0 0 396.491 4.563 50 0 GJAARN CCCCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 ZINC000004600360 204057194 /nfs/dbraw/zinc/05/71/94/204057194.db2.gz WYAICLQHFOAMDN-LJQANCHMSA-N 0 0 394.515 4.782 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000004612035 204058108 /nfs/dbraw/zinc/05/81/08/204058108.db2.gz XBAQWDFQVMWKEY-XOKHGSTOSA-N 0 0 383.513 4.792 50 0 GJAARN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1Cl ZINC000004616563 204058122 /nfs/dbraw/zinc/05/81/22/204058122.db2.gz MKANHYUPEFZXAI-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2C(F)(F)F)CC(=O)O3)cc1 ZINC000004626310 204058459 /nfs/dbraw/zinc/05/84/59/204058459.db2.gz VXQAUUYKPWBRPZ-CQSZACIVSA-N 0 0 388.345 4.545 50 0 GJAARN CSc1nnc(-c2oc3nc(-c4ccccc4)nc(C)c3c2-n2cccc2)o1 ZINC000004648831 204059157 /nfs/dbraw/zinc/05/91/57/204059157.db2.gz ZIAVDRSKBODXNM-UHFFFAOYSA-N 0 0 389.440 4.761 50 0 GJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2)cc1C ZINC000004649019 204059184 /nfs/dbraw/zinc/05/91/84/204059184.db2.gz PTVZYVBWYYGJSY-ZHZULCJRSA-N 0 0 376.481 4.775 50 0 GJAARN CCCCSc1nnc2n1c1sc(C)c(C)c1c(=O)n2-c1ccccc1 ZINC000004652673 204059515 /nfs/dbraw/zinc/05/95/15/204059515.db2.gz JSXDBDPNLXMTGM-UHFFFAOYSA-N 0 0 384.530 4.604 50 0 GJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCCCCCC2)cc1C ZINC000004649054 204059837 /nfs/dbraw/zinc/05/98/37/204059837.db2.gz PAVFIMXZBDUHNA-PGMHBOJBSA-N 0 0 396.556 4.929 50 0 GJAARN CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@H]1c1ccccc1 ZINC000004660615 204060738 /nfs/dbraw/zinc/06/07/38/204060738.db2.gz GLMSPFYXFPLBRT-FQEVSTJZSA-N 0 0 376.481 4.982 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000004660025 204060913 /nfs/dbraw/zinc/06/09/13/204060913.db2.gz XVVSKLUELNVPNP-HNNXBMFYSA-N 0 0 394.858 4.998 50 0 GJAARN CCOc1ccccc1NC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000004659894 204061069 /nfs/dbraw/zinc/06/10/69/204061069.db2.gz PVDQBSUBMRZPPX-UHFFFAOYSA-N 0 0 388.467 4.909 50 0 GJAARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NCc1ccccc1 ZINC000004672279 204061903 /nfs/dbraw/zinc/06/19/03/204061903.db2.gz SRCDQOAUDBWPIP-UHFFFAOYSA-N 0 0 384.479 4.914 50 0 GJAARN COc1ccc(-c2cn3cc(-c4cccc(Br)c4)nc3n2C)cc1 ZINC000004678476 204062926 /nfs/dbraw/zinc/06/29/26/204062926.db2.gz NDCCAEKJFJAQAT-UHFFFAOYSA-N 0 0 382.261 4.778 50 0 GJAARN C[C@@H]1CCCC[C@@H]1N1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCCCCC1 ZINC000004686237 204063987 /nfs/dbraw/zinc/06/39/87/204063987.db2.gz LTRVTBLLPCQGMZ-WTNAPCKOSA-N 0 0 382.548 4.991 50 0 GJAARN Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1ccncc1)O2 ZINC000004690069 204064300 /nfs/dbraw/zinc/06/43/00/204064300.db2.gz OECXDQQNWHIUCS-VQIMIIECSA-N 0 0 396.244 4.679 50 0 GJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 ZINC000005136328 204113642 /nfs/dbraw/zinc/11/36/42/204113642.db2.gz XOBZZROZMYPRDK-UHFFFAOYSA-N 0 0 380.488 4.661 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(F)cc1 ZINC000005136265 204113919 /nfs/dbraw/zinc/11/39/19/204113919.db2.gz XGONFTWNAOCOQT-UHFFFAOYSA-N 0 0 380.444 4.733 50 0 GJAARN COc1ccc(-c2nc(COC(=O)c3c[nH]c4ccccc43)cs2)cc1OC ZINC000005137710 204113924 /nfs/dbraw/zinc/11/39/24/204113924.db2.gz KSOGFTSOZWIDLQ-UHFFFAOYSA-N 0 0 394.452 4.666 50 0 GJAARN Cc1c(C(=O)NCc2cccc(Br)c2)cc(-c2ccccc2)n1C ZINC000005134953 204114062 /nfs/dbraw/zinc/11/40/62/204114062.db2.gz RKIIHPZFKUOIST-UHFFFAOYSA-N 0 0 383.289 4.693 50 0 GJAARN CC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 ZINC000005147322 204115163 /nfs/dbraw/zinc/11/51/63/204115163.db2.gz XKAXDCLNRGANJI-UHFFFAOYSA-N 0 0 393.443 4.586 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NC3CCCC3)c(C)c12 ZINC000005151957 204115555 /nfs/dbraw/zinc/11/55/55/204115555.db2.gz SYJCZGVOCKKTKA-UHFFFAOYSA-N 0 0 390.531 4.646 50 0 GJAARN Cc1nc(CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cs1 ZINC000005183541 204118156 /nfs/dbraw/zinc/11/81/56/204118156.db2.gz ZMBVARUERHZDJQ-UHFFFAOYSA-N 0 0 394.319 4.519 50 0 GJAARN C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005208913 204119542 /nfs/dbraw/zinc/11/95/42/204119542.db2.gz DHJMUDHZWHCPQY-MRXNPFEDSA-N 0 0 385.423 4.810 50 0 GJAARN Cc1ccccc1Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccs1 ZINC000005235258 204120415 /nfs/dbraw/zinc/12/04/15/204120415.db2.gz MOFIARYTCYNXOW-MRXNPFEDSA-N 0 0 375.497 4.946 50 0 GJAARN Brc1cc2c(cc1CSc1nnc(-c3ccccc3)o1)OCO2 ZINC000005216299 204120684 /nfs/dbraw/zinc/12/06/84/204120684.db2.gz LLTUZBKGIVDTSJ-UHFFFAOYSA-N 0 0 391.246 4.520 50 0 GJAARN Cc1nn2c(-c3ccccc3NC(=O)Nc3ccccc3)nnc2c2ccccc12 ZINC000005269190 204122961 /nfs/dbraw/zinc/12/29/61/204122961.db2.gz XYTVJZKUCNTOKV-UHFFFAOYSA-N 0 0 394.438 4.897 50 0 GJAARN COc1cccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2cccs2)c1 ZINC000005270464 204123129 /nfs/dbraw/zinc/12/31/29/204123129.db2.gz HHXCDGOWKGVGAQ-UHFFFAOYSA-N 0 0 390.464 4.528 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)c(O)c1C ZINC000005343230 204126626 /nfs/dbraw/zinc/12/66/26/204126626.db2.gz YXIYQLVTNXGUIQ-UHFFFAOYSA-N 0 0 375.350 4.670 50 0 GJAARN CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000005347045 204126759 /nfs/dbraw/zinc/12/67/59/204126759.db2.gz VHBYYOXUYWZMCM-MRXNPFEDSA-N 0 0 390.439 4.843 50 0 GJAARN Cc1ccc(C(=O)Nc2c(-c3ccccc3F)c(=O)c3ccccc3n2C)cc1 ZINC000005347086 204127274 /nfs/dbraw/zinc/12/72/74/204127274.db2.gz VAUPSVGMMZQAMJ-UHFFFAOYSA-N 0 0 386.426 4.905 50 0 GJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)c(C)c1)cn2Cc1ccccc1 ZINC000004936821 204093195 /nfs/dbraw/zinc/09/31/95/204093195.db2.gz MGDWYFKUUJSSTI-UHFFFAOYSA-N 0 0 397.474 4.906 50 0 GJAARN O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F ZINC000004937722 204093488 /nfs/dbraw/zinc/09/34/88/204093488.db2.gz VWIAJVGNHJXAAN-FLFQWRMESA-N 0 0 397.402 4.776 50 0 GJAARN COc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1 ZINC000004930921 204093841 /nfs/dbraw/zinc/09/38/41/204093841.db2.gz FWUXXROEIBMUDL-UHFFFAOYSA-N 0 0 381.432 4.771 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939354 204094527 /nfs/dbraw/zinc/09/45/27/204094527.db2.gz VKOJORZLODQXFJ-UHFFFAOYSA-N 0 0 379.437 4.885 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)c(OC)c1 ZINC000004939280 204094616 /nfs/dbraw/zinc/09/46/16/204094616.db2.gz LWROQKSGTSABMW-UHFFFAOYSA-N 0 0 395.436 4.586 50 0 GJAARN COc1ccc(C)cc1N(C)C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939403 204094886 /nfs/dbraw/zinc/09/48/86/204094886.db2.gz GAJGGLGUSLSVCG-UHFFFAOYSA-N 0 0 393.464 4.910 50 0 GJAARN Fc1ccc(Cn2cccc2C2=N[C@@H](CSCc3ccccc3)CO2)cc1 ZINC000004970386 204098730 /nfs/dbraw/zinc/09/87/30/204098730.db2.gz CUBXRCKXBBZWII-HXUWFJFHSA-N 0 0 380.488 4.754 50 0 GJAARN O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000005022715 204103146 /nfs/dbraw/zinc/10/31/46/204103146.db2.gz BUAJDIJSJPZOMI-HNNXBMFYSA-N 0 0 385.217 4.627 50 0 GJAARN CCCC(=O)Nc1sc2ccccc2c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000005030967 204104273 /nfs/dbraw/zinc/10/42/73/204104273.db2.gz JSMQIGQCUFZKHE-UHFFFAOYSA-N 0 0 380.469 4.561 50 0 GJAARN Cc1ccc(CCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000005034005 204104465 /nfs/dbraw/zinc/10/44/65/204104465.db2.gz YKQGCZGBEVWLKN-UHFFFAOYSA-N 0 0 393.487 4.722 50 0 aggregator GJAARN CC(=O)c1cccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)c1 ZINC000005034011 204104536 /nfs/dbraw/zinc/10/45/36/204104536.db2.gz DRXVZCVQEICMKD-UHFFFAOYSA-N 0 0 393.443 4.896 50 0 GJAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCc4ccco4)cc3NC2=O)c1 ZINC000005035880 204105402 /nfs/dbraw/zinc/10/54/02/204105402.db2.gz JPIXENGIJPFWAI-RGVLZGJSSA-N 0 0 390.464 4.603 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050445 204106930 /nfs/dbraw/zinc/10/69/30/204106930.db2.gz VZLLMQARMFOMKA-UHFFFAOYSA-N 0 0 379.437 4.737 50 0 GJAARN Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 ZINC000005046986 204107029 /nfs/dbraw/zinc/10/70/29/204107029.db2.gz DVGUVWYKIWNOHH-UHFFFAOYSA-N 0 0 384.814 4.623 50 0 GJAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 ZINC000005046770 204107465 /nfs/dbraw/zinc/10/74/65/204107465.db2.gz PXZUEWYHODBRJQ-UHFFFAOYSA-N 0 0 394.496 4.711 50 0 GJAARN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)Nc1ccccc1 ZINC000005052827 204107484 /nfs/dbraw/zinc/10/74/84/204107484.db2.gz NBKSNRXCQWMOTB-OAQYLSRUSA-N 0 0 388.492 4.895 50 0 GJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NC2CCC(C)CC2)c1C ZINC000005054042 204107527 /nfs/dbraw/zinc/10/75/27/204107527.db2.gz NTVXSGALDYYULA-UHFFFAOYSA-N 0 0 396.531 4.644 50 0 GJAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2-c2cccc(C)c2)cc1 ZINC000005360600 204127909 /nfs/dbraw/zinc/12/79/09/204127909.db2.gz FQSUXSWDKFOLTR-OAHLLOKOSA-N 0 0 381.501 4.646 50 0 GJAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NCc1cccs1 ZINC000005057524 204108020 /nfs/dbraw/zinc/10/80/20/204108020.db2.gz YOOWSXGNQGSZLB-UHFFFAOYSA-N 0 0 392.933 4.915 50 0 GJAARN COc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c(C=O)cc1C=O ZINC000005073363 204109141 /nfs/dbraw/zinc/10/91/41/204109141.db2.gz NNAJOFALWMPKPI-JOCHJYFZSA-N 0 0 384.435 4.676 50 0 GJAARN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCCC[C@@H]12 ZINC000005931070 204157271 /nfs/dbraw/zinc/15/72/71/204157271.db2.gz ZHLGTXFDXWAOFS-IFMALSPDSA-N 0 0 379.891 4.664 50 0 GJAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000005930566 204157452 /nfs/dbraw/zinc/15/74/52/204157452.db2.gz NRHSLASWKBQKOJ-IFMALSPDSA-N 0 0 391.858 4.986 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000006047125 204162870 /nfs/dbraw/zinc/16/28/70/204162870.db2.gz FSZBSEGGTICBBC-UHFFFAOYSA-N 0 0 384.457 4.757 50 0 GJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(C)cc1 ZINC000006035247 204162967 /nfs/dbraw/zinc/16/29/67/204162967.db2.gz VULMJKSWSRBEOQ-UHFFFAOYSA-N 0 0 388.492 4.995 50 0 GJAARN COc1ccccc1NC(=O)c1sc(=S)n(-c2cc(C)ccc2F)c1N ZINC000006044312 204163555 /nfs/dbraw/zinc/16/35/55/204163555.db2.gz WHGLDZUQUYLEOO-UHFFFAOYSA-N 0 0 389.477 4.559 50 0 GJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006085648 204164007 /nfs/dbraw/zinc/16/40/07/204164007.db2.gz QUUFTICYPJCAPF-UHFFFAOYSA-N 0 0 379.456 4.592 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000006112325 204165296 /nfs/dbraw/zinc/16/52/96/204165296.db2.gz HBJWVGAIFOKILN-UHFFFAOYSA-N 0 0 389.933 4.873 50 0 GJAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000006128426 204167547 /nfs/dbraw/zinc/16/75/47/204167547.db2.gz YTZXETAJZHDXSO-ZDUSSCGKSA-N 0 0 398.919 4.917 50 0 GJAARN O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)c1Br)c1ccccc1 ZINC000005409260 204130289 /nfs/dbraw/zinc/13/02/89/204130289.db2.gz AKHNTNGARCWAOD-UHFFFAOYSA-N 0 0 376.641 4.745 50 0 GJAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(OCC)cc3)o2)cc1 ZINC000005391804 204130739 /nfs/dbraw/zinc/13/07/39/204130739.db2.gz VMGNGWGFQSDHOO-AWEZNQCLSA-N 0 0 398.484 4.898 50 0 GJAARN COc1cccc(C(=O)Nc2c(-c3cccc(C)c3)c(=O)c3ccccc3n2C)c1 ZINC000005427586 204132514 /nfs/dbraw/zinc/13/25/14/204132514.db2.gz YLCOLDXAHDNRRI-UHFFFAOYSA-N 0 0 398.462 4.775 50 0 GJAARN O=C1OC(c2cccs2)=N/C1=C1/C=C(c2cccs2)Oc2ccccc21 ZINC000005451413 204133183 /nfs/dbraw/zinc/13/31/83/204133183.db2.gz YTPRASLKFSOHDO-AQTBWJFISA-N 0 0 377.446 4.958 50 0 GJAARN O=C(NCCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000005545847 204138529 /nfs/dbraw/zinc/13/85/29/204138529.db2.gz UDHILGSZQJNBJP-UHFFFAOYSA-N 0 0 389.886 4.711 50 0 GJAARN COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000005611818 204143522 /nfs/dbraw/zinc/14/35/22/204143522.db2.gz ALTPZJDOUFZYFT-KNQAVFIVSA-N 0 0 391.858 4.986 50 0 GJAARN COc1cc(OC)cc(-c2nnc(SCCOc3cc(C)ccc3C)o2)c1 ZINC000006785762 204205409 /nfs/dbraw/zinc/20/54/09/204205409.db2.gz XQDHXDKISKZSNM-UHFFFAOYSA-N 0 0 386.473 4.542 50 0 GJAARN COc1ccccc1[C@H]1c2c(n[nH]c2-c2ccc(F)cc2)C(=O)N1c1ccccc1 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COc1ccccc1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000007305384 204238886 /nfs/dbraw/zinc/23/88/86/204238886.db2.gz CKJKONDLTBZYOO-UHFFFAOYSA-N 0 0 399.446 4.707 50 0 GJAARN Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)nc3ccccc32)no1 ZINC000007298651 204238927 /nfs/dbraw/zinc/23/89/27/204238927.db2.gz PARFDVYQHIXUOZ-LBPRGKRZSA-N 0 0 396.497 4.774 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3cccc[n+]3[O-])ccc21 ZINC000007372646 204239580 /nfs/dbraw/zinc/23/95/80/204239580.db2.gz NFYYOXVNOLAMLG-HNNXBMFYSA-N 0 0 391.496 4.567 50 0 GJAARN Cc1cc(C)cc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000007645071 204244658 /nfs/dbraw/zinc/24/46/58/204244658.db2.gz BCBBHJFWHGFLDC-UHFFFAOYSA-N 0 0 380.513 4.698 50 0 GJAARN COc1ccc(-c2nc(-c3ccc(CC[C@H](C)NC(C)=O)cc3)cs2)cc1 ZINC000007643736 204244699 /nfs/dbraw/zinc/24/46/99/204244699.db2.gz NRZDWLRINXYJQR-HNNXBMFYSA-N 0 0 380.513 4.943 50 0 GJAARN O=C(Nc1nc2ccccc2[nH]1)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000007734911 204247629 /nfs/dbraw/zinc/24/76/29/204247629.db2.gz 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ZINC000009574097 204316855 /nfs/dbraw/zinc/31/68/55/204316855.db2.gz OHKPZWCQTIFYRZ-UHFFFAOYSA-N 0 0 394.397 4.880 50 0 GJAARN c1nn(-c2ccccc2)c2nc(N3CCCCCC3)nc(NCc3ccccc3)c12 ZINC000009623093 204318095 /nfs/dbraw/zinc/31/80/95/204318095.db2.gz JJNKEYDEZPJDLF-UHFFFAOYSA-N 0 0 398.514 4.808 50 0 GJAARN COc1cccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)cs2)c1 ZINC000009616642 204318559 /nfs/dbraw/zinc/31/85/59/204318559.db2.gz CZAYCCAZUCXESX-LJQANCHMSA-N 0 0 377.469 4.548 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)NCc1cccn1Cc1cccc(C)c1 ZINC000009722076 204322512 /nfs/dbraw/zinc/32/25/12/204322512.db2.gz LSBNLZSWFMEEFN-UHFFFAOYSA-N 0 0 383.879 4.829 50 0 GJAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N[C@@H](C)c3ccccc3)c2c1C ZINC000009788723 204323138 /nfs/dbraw/zinc/32/31/38/204323138.db2.gz HYWJVJIKKZHORS-GXTWGEPZSA-N 0 0 385.558 4.975 50 0 GJAARN C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccnc1 ZINC000009749726 204323550 /nfs/dbraw/zinc/32/35/50/204323550.db2.gz VXQBOPITVWCICW-INIZCTEOSA-N 0 0 388.496 4.546 50 0 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204300114 /nfs/dbraw/zinc/30/01/14/204300114.db2.gz VSSPCYDMUDXIJV-UHFFFAOYSA-N 0 0 388.423 4.679 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000011327393 204345513 /nfs/dbraw/zinc/34/55/13/204345513.db2.gz HFPFXZGULSRVDG-UHFFFAOYSA-N 0 0 379.504 4.616 50 0 GJAARN Cc1nc([C@@H](C)NC(=O)c2csc3nc(-c4ccc(C)cc4)cn23)cs1 ZINC000011663384 204348683 /nfs/dbraw/zinc/34/86/83/204348683.db2.gz XZBZPOYYSZRNTB-GFCCVEGCSA-N 0 0 382.514 4.627 50 0 GJAARN Clc1ccc2[nH]c([C@H]3CCCN3Cc3nc(Cc4ccccc4)no3)nc2c1 ZINC000011664614 204349553 /nfs/dbraw/zinc/34/95/53/204349553.db2.gz JNDIBGOITUVIEK-GOSISDBHSA-N 0 0 393.878 4.527 50 0 GJAARN Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)C1CCC1)C2 ZINC000011786222 204352026 /nfs/dbraw/zinc/35/20/26/204352026.db2.gz BBTWZPJQSJRKBE-NRFANRHFSA-N 0 0 386.495 4.738 50 0 GJAARN O=C(c1cscn1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011773947 204352813 /nfs/dbraw/zinc/35/28/13/204352813.db2.gz DGOUPMUSNCQBCV-KRWDZBQOSA-N 0 0 392.480 4.671 50 0 GJAARN Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC(Cc4ccc(F)cc4)=NO3)cc2)o1 ZINC000011788322 204352906 /nfs/dbraw/zinc/35/29/06/204352906.db2.gz KJOLPSOORHZXTE-NRFANRHFSA-N 0 0 392.430 4.512 50 0 GJAARN C[C@H](c1ccon1)N(C)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000011844449 204358048 /nfs/dbraw/zinc/35/80/48/204358048.db2.gz ZVLIPCZVIOHLSQ-CYBMUJFWSA-N 0 0 395.846 4.893 50 0 GJAARN Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)O2)CCC3 ZINC000011867464 204359185 /nfs/dbraw/zinc/35/91/85/204359185.db2.gz XLLRTUMTGDONEX-KRWDZBQOSA-N 0 0 380.827 4.950 50 0 GJAARN O=C(CSc1cc(-c2ccccc2)ncn1)Nc1cccc(C(F)(F)F)c1 ZINC000011903060 204360627 /nfs/dbraw/zinc/36/06/27/204360627.db2.gz JHEADPDHKCFMJW-UHFFFAOYSA-N 0 0 389.402 4.893 50 0 GJAARN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1C ZINC000011914543 204360816 /nfs/dbraw/zinc/36/08/16/204360816.db2.gz FXTHMGLSLSHXOH-UHFFFAOYSA-N 0 0 380.875 4.964 50 0 GJAARN CC(C)[C@H](O)c1ccc2c(c1)CN(C(=O)c1cccc3ccccc31)CCO2 ZINC000011882251 204360894 /nfs/dbraw/zinc/36/08/94/204360894.db2.gz XIESXMVCJNAZOI-QHCPKHFHSA-N 0 0 375.468 4.564 50 0 GJAARN Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)no1 ZINC000011934109 204361995 /nfs/dbraw/zinc/36/19/95/204361995.db2.gz AFTMKDADSXRGPO-SFHVURJKSA-N 0 0 390.439 4.510 50 0 GJAARN Cn1c2ccccc2nc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccco1 ZINC000011935959 204363501 /nfs/dbraw/zinc/36/35/01/204363501.db2.gz SFMZUCBLEBSWCA-QHCPKHFHSA-N 0 0 382.467 4.795 50 0 GJAARN C/C=C(\C)C(=O)NC[C@H]1Cc2cc(-c3ccc(C(C)=O)s3)cc(Cl)c2O1 ZINC000012001448 204367266 /nfs/dbraw/zinc/36/72/66/204367266.db2.gz DMLHSCSMXWGRMI-XPMGFOTESA-N 0 0 389.904 4.657 50 0 GJAARN CSCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1c(F)cccc1Cl ZINC000012028417 204367634 /nfs/dbraw/zinc/36/76/34/204367634.db2.gz RMMMNLJOBORGNQ-FQEVSTJZSA-N 0 0 388.895 4.798 50 0 GJAARN C/C=C/c1cnc(-c2cccnc2)nc1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000012157045 204377538 /nfs/dbraw/zinc/37/75/38/204377538.db2.gz UZLCWXNRVUAENY-FARCUNLSSA-N 0 0 398.510 4.520 50 0 GJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000011193745 204343240 /nfs/dbraw/zinc/34/32/40/204343240.db2.gz GEMZAQPNIZEUMM-UHFFFAOYSA-N 0 0 380.488 4.885 50 0 GJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1F ZINC000011224419 204343960 /nfs/dbraw/zinc/34/39/60/204343960.db2.gz IDOCXFHTMJUFBW-UHFFFAOYSA-N 0 0 396.853 4.863 50 0 GJAARN CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)c(Cl)c1)O[C@H](C)C2 ZINC000011232043 204344366 /nfs/dbraw/zinc/34/43/66/204344366.db2.gz VXUFOGKPUQDYOP-LLVKDONJSA-N 0 0 396.270 4.733 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3cccs3)n2)cc1 ZINC000012486811 204415073 /nfs/dbraw/zinc/41/50/73/204415073.db2.gz KDHFILLVAYABTO-MRXNPFEDSA-N 0 0 399.541 4.640 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F ZINC000012226356 204385450 /nfs/dbraw/zinc/38/54/50/204385450.db2.gz DROWBMBREZSHPX-UHFFFAOYSA-N 0 0 396.796 4.889 50 0 GJAARN Cc1c(C(=O)NCCC2=CCCCC2)sc2ncnc(NCc3ccco3)c12 ZINC000012245462 204386954 /nfs/dbraw/zinc/38/69/54/204386954.db2.gz HCMUJOBWYNDBJA-UHFFFAOYSA-N 0 0 396.516 4.825 50 0 GJAARN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000012302176 204392121 /nfs/dbraw/zinc/39/21/21/204392121.db2.gz YGGXUTOLZZTSSH-SFHVURJKSA-N 0 0 390.418 4.698 50 0 GJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1CCCC(F)(F)F ZINC000012307469 204393755 /nfs/dbraw/zinc/39/37/55/204393755.db2.gz JXJNNFVQWIELFE-KRWDZBQOSA-N 0 0 393.409 4.619 50 0 GJAARN CCn1ccnc1CN(C)C(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000012307273 204394327 /nfs/dbraw/zinc/39/43/27/204394327.db2.gz XLBUQQXYYIGMPT-FQEVSTJZSA-N 0 0 381.907 4.737 50 0 GJAARN CCOc1ccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000012629079 204432677 /nfs/dbraw/zinc/43/26/77/204432677.db2.gz NHUPQRYDSWZCDP-QFIPXVFZSA-N 0 0 399.494 4.686 50 0 GJAARN O=C(NCc1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000012691909 204435313 /nfs/dbraw/zinc/43/53/13/204435313.db2.gz TYGXWULCJOKUMZ-UHFFFAOYSA-N 0 0 376.422 4.870 50 0 GJAARN O=C(NC[C@H]1CCCN(C(=O)C2CCCCCC2)C1)c1cccc2ccccc21 ZINC000012716082 204436786 /nfs/dbraw/zinc/43/67/86/204436786.db2.gz FTPHVMIBTCLNPP-LJQANCHMSA-N 0 0 392.543 4.779 50 0 GJAARN O=C(CCCSc1nnc(NC2CC2)s1)c1ccc(Br)cc1 ZINC000012735544 204438989 /nfs/dbraw/zinc/43/89/89/204438989.db2.gz ATBKEPYZTKJDKL-UHFFFAOYSA-N 0 0 398.351 4.630 50 0 GJAARN CCn1c(SC[C@@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012731984 204439783 /nfs/dbraw/zinc/43/97/83/204439783.db2.gz GRSKLKSXEQLDIT-HNNXBMFYSA-N 0 0 386.542 4.724 50 0 GJAARN Clc1cc(Cl)c2nnc(SCc3nccn3Cc3ccccc3)n2c1 ZINC000012535445 204419189 /nfs/dbraw/zinc/41/91/89/204419189.db2.gz WHPPBRHMCLDXEY-UHFFFAOYSA-N 0 0 390.299 4.573 50 0 GJAARN COc1ccccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl ZINC000012802079 204450867 /nfs/dbraw/zinc/45/08/67/204450867.db2.gz JAHIUIKSERSSTN-KRWDZBQOSA-N 0 0 390.867 4.553 50 0 GJAARN COC(=O)/C=C/c1ccc(OCc2coc(-c3ccc(C)cc3C)n2)c(OC)c1 ZINC000012854626 204456645 /nfs/dbraw/zinc/45/66/45/204456645.db2.gz JRZJMDQXGUABGJ-JXMROGBWSA-N 0 0 393.439 4.732 50 0 GJAARN O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1F ZINC000012878093 204459253 /nfs/dbraw/zinc/45/92/53/204459253.db2.gz SDYUMYJEWGWOPI-UHFFFAOYSA-N 0 0 376.840 4.696 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC000012986694 204474087 /nfs/dbraw/zinc/47/40/87/204474087.db2.gz IYBWXQZMVMQKMW-UHFFFAOYSA-N 0 0 396.878 4.860 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012997310 204476196 /nfs/dbraw/zinc/47/61/96/204476196.db2.gz GZVBRRALAJMUIR-UHFFFAOYSA-N 0 0 388.939 4.700 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2ccc(CSC(F)F)o2)c1)c1ccco1 ZINC000013005398 204478318 /nfs/dbraw/zinc/47/83/18/204478318.db2.gz FVILHHZAZAPTCS-UHFFFAOYSA-N 0 0 392.383 4.833 50 0 GJAARN Cc1c(C(=O)N(C)Cc2cccs2)sc2nc(-c3ccco3)nc(C)c12 ZINC000013006430 204479007 /nfs/dbraw/zinc/47/90/07/204479007.db2.gz KOFRXIAEQBGOOB-UHFFFAOYSA-N 0 0 383.498 4.902 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000013550793 204494384 /nfs/dbraw/zinc/49/43/84/204494384.db2.gz VDSBLSFTRLNIAM-ZDUSSCGKSA-N 0 0 381.819 4.686 50 0 GJAARN COc1ccccc1N1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 ZINC000013723741 204509000 /nfs/dbraw/zinc/50/90/00/204509000.db2.gz UQSUIDMPUUPUKR-UHFFFAOYSA-N 0 0 385.419 4.825 50 0 biogenic GJAARN Cc1ccc(-c2csc(=Nc3ccccc3)n2NC(=O)c2ccncc2)cc1 ZINC000334157725 209172589 /nfs/dbraw/zinc/17/25/89/209172589.db2.gz WSGWHLZCADMJCE-UHFFFAOYSA-N 0 0 386.480 4.536 50 0 GJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)Cc1ccc(C)cc1 ZINC000014288818 204532351 /nfs/dbraw/zinc/53/23/51/204532351.db2.gz VGWDVVURRRFXFF-UHFFFAOYSA-N 0 0 384.483 4.699 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cs1 ZINC000014673430 204538195 /nfs/dbraw/zinc/53/81/95/204538195.db2.gz LTYXSEYKDRYKSR-MRXNPFEDSA-N 0 0 380.513 4.553 50 0 GJAARN Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 ZINC000015868134 204582560 /nfs/dbraw/zinc/58/25/60/204582560.db2.gz BBKHUYLRMJDWAN-UHFFFAOYSA-N 0 0 382.847 4.732 50 0 GJAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c(OC)c1 ZINC000015224677 204564900 /nfs/dbraw/zinc/56/49/00/204564900.db2.gz FYZWDURMACDDJS-QPPBQGQZSA-N 0 0 386.451 4.946 50 0 GJAARN CCCSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000016750820 204600245 /nfs/dbraw/zinc/60/02/45/204600245.db2.gz SBIFEVVERAEICZ-UHFFFAOYSA-N 0 0 375.803 4.903 50 0 GJAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C)cc3C)cc2s1 ZINC000017081307 204607849 /nfs/dbraw/zinc/60/78/49/204607849.db2.gz PCIDQJQHVYBCGT-UHFFFAOYSA-N 0 0 397.500 4.669 50 0 GJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2cccnc2)nc2ccccc21 ZINC000017295598 204611350 /nfs/dbraw/zinc/61/13/50/204611350.db2.gz XSAACZDYCQIFPG-UHFFFAOYSA-N 0 0 392.462 4.751 50 0 biogenic GJAARN O=C(CCc1ccc2c(c1)CCO2)N[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000096116184 211965089 /nfs/dbraw/zinc/96/50/89/211965089.db2.gz HXTMYWNXYZGAHR-LJQANCHMSA-N 0 0 394.902 4.883 50 0 biogenic GJAARN CSc1cccc(NC(=O)CCc2ccc3nc(NC(C)=O)sc3c2)c1 ZINC000021352963 204757347 /nfs/dbraw/zinc/75/73/47/204757347.db2.gz OIGQESCUXBIDMH-UHFFFAOYSA-N 0 0 385.514 4.548 50 0 GJAARN C[C@H](CNC(=O)c1ccc(N2CCOc3ccccc32)s1)c1ccccc1 ZINC000020992015 204748588 /nfs/dbraw/zinc/74/85/88/204748588.db2.gz OMMZAVMJEVPREX-MRXNPFEDSA-N 0 0 378.497 4.812 50 0 GJAARN COc1cccc([C@@H](CC(=O)Nc2cc(Cl)ccc2OC)n2cccc2)c1 ZINC000020998481 204748831 /nfs/dbraw/zinc/74/88/31/204748831.db2.gz QOKRAPFCXHOLOD-LJQANCHMSA-N 0 0 384.863 4.777 50 0 GJAARN CCc1ccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000021100714 204751880 /nfs/dbraw/zinc/75/18/80/204751880.db2.gz VCZLCTAXTZBOHH-UHFFFAOYSA-N 0 0 399.498 4.856 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)on2)cc1 ZINC000021790777 204764572 /nfs/dbraw/zinc/76/45/72/204764572.db2.gz OQPCAVGLEDZOPW-LJQANCHMSA-N 0 0 382.847 4.981 50 0 GJAARN Cc1cccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)c1 ZINC000021881951 204768327 /nfs/dbraw/zinc/76/83/27/204768327.db2.gz PUPOXDKGNVBEFJ-UHFFFAOYSA-N 0 0 395.528 4.707 50 0 GJAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccccc1 ZINC000021914677 204768982 /nfs/dbraw/zinc/76/89/82/204768982.db2.gz RLNJQIHOTSZHCV-UHFFFAOYSA-N 0 0 376.847 4.919 50 0 GJAARN CN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1ccccc1 ZINC000021915238 204769399 /nfs/dbraw/zinc/76/93/99/204769399.db2.gz WAHLSCKUXPLEGY-UHFFFAOYSA-N 0 0 399.494 4.800 50 0 GJAARN Cc1ccc(Nc2c(C)c(C)nc3nc(Cc4cccc(F)c4)nn32)cc1C ZINC000021941616 204769868 /nfs/dbraw/zinc/76/98/68/204769868.db2.gz XBYRBYUZBKYEQD-UHFFFAOYSA-N 0 0 375.451 4.831 50 0 GJAARN COc1ccc(-n2c(-c3cc(C)c(OC)cc3C)nc3ccccc3c2=O)cc1 ZINC000023335217 204802442 /nfs/dbraw/zinc/80/24/42/204802442.db2.gz GXCQNXRWOMSNGO-UHFFFAOYSA-N 0 0 386.451 4.687 50 0 GJAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCc1cccc(F)c1F ZINC000023321708 204802986 /nfs/dbraw/zinc/80/29/86/204802986.db2.gz XZWKYEDGKKAHLC-UHFFFAOYSA-N 0 0 396.315 4.877 50 0 GJAARN O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000023054909 204795307 /nfs/dbraw/zinc/79/53/07/204795307.db2.gz ZFDARWGDVMDZKG-CHWSQXEVSA-N 0 0 396.434 4.851 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(C(=O)C(C)C)C3)ccc21 ZINC000024975222 204828568 /nfs/dbraw/zinc/82/85/68/204828568.db2.gz IWIHBWWRWLIVKZ-KRWDZBQOSA-N 0 0 391.515 4.648 50 0 GJAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000025583082 204834065 /nfs/dbraw/zinc/83/40/65/204834065.db2.gz QBCCPELRUDFBQK-WMZHIEFXSA-N 0 0 388.398 4.797 50 0 GJAARN COc1ccc2cc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)c(C)nc2c1 ZINC000024715421 204823967 /nfs/dbraw/zinc/82/39/67/204823967.db2.gz BDJKJKAQVBTXDA-GOSISDBHSA-N 0 0 382.460 4.658 50 0 GJAARN O=C(CCc1ccsc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000024653897 204824037 /nfs/dbraw/zinc/82/40/37/204824037.db2.gz AWLGYOUWIDEPBI-UHFFFAOYSA-N 0 0 385.510 4.747 50 0 GJAARN C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 ZINC000040079695 204868784 /nfs/dbraw/zinc/86/87/84/204868784.db2.gz CHKAZCMSDKCECB-JEJOPICUSA-N 0 0 390.508 4.881 50 0 GJAARN CNC(=S)N1N=C(c2ccccc2)C[C@@H]1c1cc2ccc(C)cc2nc1Cl ZINC000027533513 204857006 /nfs/dbraw/zinc/85/70/06/204857006.db2.gz CUGSARRVUNPDQR-LJQANCHMSA-N 0 0 394.931 4.852 50 0 GJAARN O[C@H](CNc1nc(-c2cccs2)nc2ccccc21)c1ccc(F)c(F)c1 ZINC000029588602 204891225 /nfs/dbraw/zinc/89/12/25/204891225.db2.gz PWFJMLFFQOJMGH-QGZVFWFLSA-N 0 0 383.423 4.782 50 0 GJAARN Cc1noc2nc(C(C)C)cc(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@H]3C)c12 ZINC000225619831 211911510 /nfs/dbraw/zinc/91/15/10/211911510.db2.gz GTONWRGPAFNSKN-CRAIPNDOSA-N 0 0 377.488 4.981 50 0 GJAARN C[C@H](NC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000032795346 204918940 /nfs/dbraw/zinc/91/89/40/204918940.db2.gz OHPBFHZYQAWXBM-RNODOKPDSA-N 0 0 398.459 4.766 50 0 GJAARN Brc1cccc(CSc2nnc(NCc3ccco3)s2)c1 ZINC000032860306 204924425 /nfs/dbraw/zinc/92/44/25/204924425.db2.gz ZYQVXYGJDVHKCH-UHFFFAOYSA-N 0 0 382.308 4.798 50 0 GJAARN O=C(NC1=NC2=C(CCCC2)C2(CCCCC2)S1)c1ccc2c(c1)OCO2 ZINC000032882427 204926434 /nfs/dbraw/zinc/92/64/34/204926434.db2.gz LWWHLTQBNOAUGH-UHFFFAOYSA-N 0 0 384.501 4.779 50 0 GJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000032908657 204929102 /nfs/dbraw/zinc/92/91/02/204929102.db2.gz ZAPSVFGECJKWMD-UHFFFAOYSA-N 0 0 391.418 4.826 50 0 GJAARN O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H]1CCSc2ccccc21 ZINC000032339148 204912197 /nfs/dbraw/zinc/91/21/97/204912197.db2.gz AAGDZLUKQZXJOH-IBGZPJMESA-N 0 0 392.480 4.606 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)c(NC(=O)NCC(C)C)c2)c1 ZINC000033009304 204937849 /nfs/dbraw/zinc/93/78/49/204937849.db2.gz WGFJNJGKJVBMKH-UHFFFAOYSA-N 0 0 394.519 4.625 50 0 GJAARN Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)[nH]c12 ZINC000033063752 204944423 /nfs/dbraw/zinc/94/44/23/204944423.db2.gz AJBGNYCPEPKAAH-UHFFFAOYSA-N 0 0 386.904 4.670 50 0 GJAARN CCCCCNC(=O)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139116 204948008 /nfs/dbraw/zinc/94/80/08/204948008.db2.gz MEOPOKNRXHVQMY-UHFFFAOYSA-N 0 0 379.435 4.995 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1cc(F)ccc1F ZINC000033128748 204948546 /nfs/dbraw/zinc/94/85/46/204948546.db2.gz 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COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4ccc(F)cc4)c3n2)c1 ZINC000040484777 205068115 /nfs/dbraw/zinc/06/81/15/205068115.db2.gz CEODCDVJDBROGX-UHFFFAOYSA-N 0 0 399.425 4.512 50 0 GJAARN COc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC ZINC000044859712 205087688 /nfs/dbraw/zinc/08/76/88/205087688.db2.gz NILVFPRZURDMRP-MOPGFXCFSA-N 0 0 378.476 4.565 50 0 GJAARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1Cl ZINC000045668549 205097782 /nfs/dbraw/zinc/09/77/82/205097782.db2.gz KKOJRBYBGAVSJC-UHFFFAOYSA-N 0 0 392.839 4.874 50 0 GJAARN Cc1oc(-c2cccc(C)c2)nc1CSc1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000045924895 205098617 /nfs/dbraw/zinc/09/86/17/205098617.db2.gz HXYLGVUYYQISKK-UHFFFAOYSA-N 0 0 390.468 4.808 50 0 GJAARN CC(C)n1c2ccccc2nc1C(=O)C(N)c1nc2ccccc2n1C(C)C ZINC000041146044 205077998 /nfs/dbraw/zinc/07/79/98/205077998.db2.gz IUYQCGOIGODILY-FMQUCBEESA-N 0 0 375.476 4.890 50 0 GJAARN COc1cccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)c1 ZINC000046914085 205107610 /nfs/dbraw/zinc/10/76/10/205107610.db2.gz 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205181638 /nfs/dbraw/zinc/18/16/38/205181638.db2.gz CDXNSRWAZBJMAG-UHFFFAOYSA-N 0 0 395.260 4.653 50 0 GJAARN CC(C)[C@@H]1CCCN1c1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000060861795 205181663 /nfs/dbraw/zinc/18/16/63/205181663.db2.gz RQFPZLQUAQLTLT-INIZCTEOSA-N 0 0 379.533 4.652 50 0 GJAARN CC(C)(C)c1ncc(C(=O)Nc2nc(-c3ccc4c(c3)COC4)cs2)s1 ZINC000061337506 205181881 /nfs/dbraw/zinc/18/18/81/205181881.db2.gz XFVAJGOVXQLWCB-UHFFFAOYSA-N 0 0 385.514 4.847 50 0 GJAARN CCc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064894452 205200363 /nfs/dbraw/zinc/20/03/63/205200363.db2.gz XZUDMDKYAQHDIT-UHFFFAOYSA-N 0 0 386.451 4.766 50 0 GJAARN Cc1ccc(CNc2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)cc1 ZINC000064944826 205201959 /nfs/dbraw/zinc/20/19/59/205201959.db2.gz JJCRSKBVFAOYFS-UHFFFAOYSA-N 0 0 398.919 4.781 50 0 GJAARN Cc1cccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc43)n2)c1 ZINC000064950177 205202032 /nfs/dbraw/zinc/20/20/32/205202032.db2.gz RENWVLFDBSSOJH-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN Cc1[nH]c2ccc(CNc3cnn(-c4ccccc4)c(=O)c3Cl)cc2c1C ZINC000064947725 205202300 /nfs/dbraw/zinc/20/23/00/205202300.db2.gz SEGUNLRMPFUOQP-UHFFFAOYSA-N 0 0 378.863 4.596 50 0 GJAARN Cc1ccc(-c2nc3c4ccccc4n(Cc4cc(C)ccc4C)c(=O)n3n2)cc1 ZINC000064977911 205203384 /nfs/dbraw/zinc/20/33/84/205203384.db2.gz YDRXCBBIUUACTO-UHFFFAOYSA-N 0 0 394.478 4.685 50 0 GJAARN Cc1cccc(Cn2cccc2CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000064959375 205203662 /nfs/dbraw/zinc/20/36/62/205203662.db2.gz DNPGFZWWSZYRRY-UHFFFAOYSA-N 0 0 396.556 4.621 50 0 GJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)c2)on1 ZINC000064979684 205204766 /nfs/dbraw/zinc/20/47/66/205204766.db2.gz XBXYCAJKVNIJST-UHFFFAOYSA-N 0 0 380.828 4.552 50 0 GJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C ZINC000065003715 205206255 /nfs/dbraw/zinc/20/62/55/205206255.db2.gz QUWNUKBHMSLKLT-UHFFFAOYSA-N 0 0 376.526 4.688 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)Nc3ccc(C)cc3C)cc2c1OC ZINC000065023034 205207215 /nfs/dbraw/zinc/20/72/15/205207215.db2.gz LVMDMKXXBWQBLR-UHFFFAOYSA-N 0 0 384.457 4.957 50 0 GJAARN Cc1ccc(-c2ccnc3c(C(=O)NC[C@H](C)c4ccccc4)cnn32)cc1C ZINC000065026642 205207407 /nfs/dbraw/zinc/20/74/07/205207407.db2.gz GFNWLMQVBCSQQW-SFHVURJKSA-N 0 0 384.483 4.547 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)CCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000065061278 205208377 /nfs/dbraw/zinc/20/83/77/205208377.db2.gz PMBQXSIATHZVQJ-UHFFFAOYSA-N 0 0 398.466 4.531 50 0 GJAARN COc1ccc2oc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)c(C)c2c1 ZINC000065097243 205210563 /nfs/dbraw/zinc/21/05/63/205210563.db2.gz GIZPSPWFUAUMAW-KRWDZBQOSA-N 0 0 395.415 4.520 50 0 GJAARN CC(=O)Nc1ccc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)cc1 ZINC000065098171 205210699 /nfs/dbraw/zinc/21/06/99/205210699.db2.gz UUNYUFAKXRAXNY-UHFFFAOYSA-N 0 0 376.441 4.794 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cccc(F)c2)n1 ZINC000065114626 205211199 /nfs/dbraw/zinc/21/11/99/205211199.db2.gz UDSJLQUWTXWUFW-UHFFFAOYSA-N 0 0 378.451 4.693 50 0 GJAARN O=C(c1c(F)cccc1F)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135760 205211325 /nfs/dbraw/zinc/21/13/25/205211325.db2.gz KVPQMANEENLFNT-HNNXBMFYSA-N 0 0 397.400 4.581 50 0 GJAARN O=C(c1ccc(F)cc1Cl)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135263 205211923 /nfs/dbraw/zinc/21/19/23/205211923.db2.gz NAQJDFNAPXGOBX-INIZCTEOSA-N 0 0 395.865 4.956 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4c(F)cccc4F)C3)n2)c1 ZINC000065135395 205212251 /nfs/dbraw/zinc/21/22/51/205212251.db2.gz OMNGBAUMHGUAGH-KRWDZBQOSA-N 0 0 393.437 4.750 50 0 GJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1Cl)CC2 ZINC000065148915 205213262 /nfs/dbraw/zinc/21/32/62/205213262.db2.gz DNIOWVNYCZOPAV-UHFFFAOYSA-N 0 0 383.879 4.531 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1cccc(Cl)c1 ZINC000065136855 205213717 /nfs/dbraw/zinc/21/37/17/205213717.db2.gz SEZGEWXKKGWSJD-QGZVFWFLSA-N 0 0 399.922 4.681 50 0 GJAARN O=C(Nc1ccccc1Cl)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165274 205214254 /nfs/dbraw/zinc/21/42/54/205214254.db2.gz ZVHGDOMNVZYJPG-UHFFFAOYSA-N 0 0 384.892 4.711 50 0 GJAARN Cc1ccc(NC(=O)N2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)cc1 ZINC000065168876 205214744 /nfs/dbraw/zinc/21/47/44/205214744.db2.gz RZEWOEWYDZAOOY-UHFFFAOYSA-N 0 0 378.863 4.696 50 0 GJAARN O=C(Nc1cccc(F)c1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154016 205214987 /nfs/dbraw/zinc/21/49/87/205214987.db2.gz WAGUPFGUFBUHMA-UHFFFAOYSA-N 0 0 388.377 4.736 50 0 GJAARN Cc1ccc(F)c(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)c1 ZINC000065165243 205215008 /nfs/dbraw/zinc/21/50/08/205215008.db2.gz ACHIMCGNEZMOTQ-UHFFFAOYSA-N 0 0 382.464 4.505 50 0 GJAARN Cc1nc(NCc2ccco2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000065184697 205215704 /nfs/dbraw/zinc/21/57/04/205215704.db2.gz HCTVUDQDHCANRQ-UHFFFAOYSA-N 0 0 381.379 4.928 50 0 GJAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1F ZINC000064471716 205190582 /nfs/dbraw/zinc/19/05/82/205190582.db2.gz UCQZKQWDZOZPKY-UHFFFAOYSA-N 0 0 399.466 4.754 50 0 GJAARN COc1cccc(CNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)c1 ZINC000064657541 205191607 /nfs/dbraw/zinc/19/16/07/205191607.db2.gz PYDNFNGNQNPWEG-UHFFFAOYSA-N 0 0 394.471 4.834 50 0 GJAARN CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Cl)cc1F ZINC000064659050 205192551 /nfs/dbraw/zinc/19/25/51/205192551.db2.gz RGFSAAPGDAUAFI-UHFFFAOYSA-N 0 0 394.855 4.699 50 0 GJAARN CC[C@H]1Cn2c(C(=O)NC[C@H](C)c3ccccc3)cc3c2c(ccc3Cl)O1 ZINC000064658058 205192778 /nfs/dbraw/zinc/19/27/78/205192778.db2.gz HFRZHXFTSYAYRJ-HOCLYGCPSA-N 0 0 382.891 4.999 50 0 GJAARN COc1c2cc(Cl)ccc2sc1C(=O)NCc1ccc(OC)cc1OC ZINC000064756612 205193516 /nfs/dbraw/zinc/19/35/16/205193516.db2.gz TVGFCIHBTSPJTF-UHFFFAOYSA-N 0 0 391.876 4.511 50 0 GJAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccccc1F ZINC000064758021 205194430 /nfs/dbraw/zinc/19/44/30/205194430.db2.gz WSSJYJDVGSZNMA-UHFFFAOYSA-N 0 0 384.480 4.772 50 0 GJAARN Cc1ccc(OCCn2c3cc4c(cc3nc2C(F)(F)F)OCCO4)cc1C ZINC000064814449 205196200 /nfs/dbraw/zinc/19/62/00/205196200.db2.gz UEUGKFMLORKYKJ-UHFFFAOYSA-N 0 0 392.377 4.522 50 0 GJAARN Cc1oc2ncn(Cc3nc(-c4ccc(C(C)C)cc4)oc3C)c(=O)c2c1C ZINC000064837240 205196239 /nfs/dbraw/zinc/19/62/39/205196239.db2.gz UJYCCRMAUBCRHJ-UHFFFAOYSA-N 0 0 377.444 4.741 50 0 GJAARN Cc1ccc(NC(=O)N2CCC([C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000064847760 205197484 /nfs/dbraw/zinc/19/74/84/205197484.db2.gz FAKYYIOHVBBJSY-MRXNPFEDSA-N 0 0 383.467 4.653 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@@H](C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847612 205197505 /nfs/dbraw/zinc/19/75/05/205197505.db2.gz WUGKJACUKNDZLR-KRWDZBQOSA-N 0 0 395.503 4.522 50 0 GJAARN Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)c1C ZINC000064840080 205198020 /nfs/dbraw/zinc/19/80/20/205198020.db2.gz YDRJAIQTAGGEIB-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3ccc(F)cc3F)cs2)c2cccnc21 ZINC000065240999 205222278 /nfs/dbraw/zinc/22/22/78/205222278.db2.gz LWWHYAJNYLVJII-UHFFFAOYSA-N 0 0 398.438 4.639 50 0 GJAARN CC(C)Cn1c2ncccc2nc1-c1cccc(C(=O)N[C@H](C)c2ccccn2)c1 ZINC000065307172 205228611 /nfs/dbraw/zinc/22/86/11/205228611.db2.gz OXCWSVMSAMTPBD-QGZVFWFLSA-N 0 0 399.498 4.640 50 0 GJAARN CCOc1ccc2c(c1)sc1nc(-c3cccc(OC)c3)c(NCCOC)n21 ZINC000065319378 205228730 /nfs/dbraw/zinc/22/87/30/205228730.db2.gz NAJPWKXVFMREKJ-UHFFFAOYSA-N 0 0 397.500 4.682 50 0 GJAARN COCCCNc1c(-c2ccccc2OC)nc2sc3cc(C)ccc3n21 ZINC000065319318 205228770 /nfs/dbraw/zinc/22/87/70/205228770.db2.gz ZGRGRUNELCWIBF-UHFFFAOYSA-N 0 0 381.501 4.981 50 0 GJAARN C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)c1cccc(Cl)c1 ZINC000065512921 205236467 /nfs/dbraw/zinc/23/64/67/205236467.db2.gz KUXHNVAXYDHVJN-CQSZACIVSA-N 0 0 394.862 4.870 50 0 GJAARN Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(N3CCCC3)c(C)c2)cs1 ZINC000065550230 205238056 /nfs/dbraw/zinc/23/80/56/205238056.db2.gz LUEHWALTAHHTLO-UHFFFAOYSA-N 0 0 394.544 4.640 50 0 GJAARN CCc1nc(CC(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cs1 ZINC000065631966 205239892 /nfs/dbraw/zinc/23/98/92/205239892.db2.gz MAUOFBWOAMSHRT-UHFFFAOYSA-N 0 0 376.485 4.534 50 0 GJAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1ccc(F)cc1 ZINC000067245355 205242557 /nfs/dbraw/zinc/24/25/57/205242557.db2.gz HVQRCDNXRDQMIF-UHFFFAOYSA-N 0 0 383.382 4.847 50 0 GJAARN COc1cccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)c1 ZINC000067284843 205243952 /nfs/dbraw/zinc/24/39/52/205243952.db2.gz RPKOGBUYJZWFEB-UHFFFAOYSA-N 0 0 382.467 4.699 50 0 GJAARN Fc1ccc(-c2nnn3c2nc(NCc2ccccc2F)c2ccccc23)cc1 ZINC000067261394 205244252 /nfs/dbraw/zinc/24/42/52/205244252.db2.gz OIWUSNFIFWRYFU-UHFFFAOYSA-N 0 0 387.393 4.835 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)NCc3cccc(C)c3)s2)c2cccnc21 ZINC000065240906 205220552 /nfs/dbraw/zinc/22/05/52/205220552.db2.gz SUUAEDIJWOSOIA-UHFFFAOYSA-N 0 0 390.512 4.727 50 0 GJAARN CSc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)cc1 ZINC000067673840 205253947 /nfs/dbraw/zinc/25/39/47/205253947.db2.gz ZIHVQAKMMOHMLU-LJQANCHMSA-N 0 0 396.556 4.938 50 0 GJAARN CCc1nc(C)cc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 ZINC000067868451 205265198 /nfs/dbraw/zinc/26/51/98/205265198.db2.gz MISXVSKRJVJNKS-UHFFFAOYSA-N 0 0 395.890 4.772 50 0 GJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OC(F)F ZINC000071287885 205280958 /nfs/dbraw/zinc/28/09/58/205280958.db2.gz IKYVWRYHXTUACE-CQSZACIVSA-N 0 0 383.420 4.666 50 0 GJAARN CCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000071785063 205297402 /nfs/dbraw/zinc/29/74/02/205297402.db2.gz WJBPXFYDIOPTIY-XEPISHBBSA-N 0 0 378.516 4.519 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)CSc3ccc(F)cc3)CC2)n1 ZINC000090608124 205275633 /nfs/dbraw/zinc/27/56/33/205275633.db2.gz BCRNWZFEGZYGDS-UHFFFAOYSA-N 0 0 396.578 4.714 50 0 GJAARN Cc1nc(-c2ccncc2)sc1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000071284353 205279218 /nfs/dbraw/zinc/27/92/18/205279218.db2.gz MQZSWWQAODGVFG-UHFFFAOYSA-N 0 0 384.511 4.951 50 0 GJAARN O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cc(Cl)cc2c1Cl ZINC000072329822 205326778 /nfs/dbraw/zinc/32/67/78/205326778.db2.gz KVFHZMPJXVXQLH-UHFFFAOYSA-N 0 0 392.185 4.792 50 0 GJAARN Cc1ccc(Cc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1C ZINC000072333556 205326889 /nfs/dbraw/zinc/32/68/89/205326889.db2.gz BUPPYOXCKIEJEJ-UHFFFAOYSA-N 0 0 378.545 4.861 50 0 GJAARN COc1ccc(Cc2noc(COc3c(Cl)cccc3Cl)n2)cc1OC ZINC000072133504 205308085 /nfs/dbraw/zinc/30/80/85/205308085.db2.gz XFDOKGZTJMEKPX-UHFFFAOYSA-N 0 0 395.242 4.563 50 0 GJAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000072277159 205320916 /nfs/dbraw/zinc/32/09/16/205320916.db2.gz ANACECSEBDFWQV-MJGOQNOKSA-N 0 0 398.938 4.529 50 0 GJAARN Cc1cc(N2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)nc2ccccc12 ZINC000072480812 205354674 /nfs/dbraw/zinc/35/46/74/205354674.db2.gz JLUONTHXDCMRHB-RUZDIDTESA-N 0 0 391.559 4.942 50 0 GJAARN O=C(Nc1cccc(Cl)c1)NC1(c2nc(-c3ccncc3)no2)CCCCC1 ZINC000077197432 205357297 /nfs/dbraw/zinc/35/72/97/205357297.db2.gz PMWABODHOAKFHK-UHFFFAOYSA-N 0 0 397.866 4.766 50 0 GJAARN COc1cc(NC2=NC(=O)SC2=Cc2ccc3ncccc3c2)cc(OC)c1 ZINC000072401744 205342940 /nfs/dbraw/zinc/34/29/40/205342940.db2.gz HFDINUYDPMFALA-OCKHKDLRSA-N 0 0 391.452 4.970 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc(C)cs2)C12CCCC2 ZINC000072400696 205342983 /nfs/dbraw/zinc/34/29/83/205342983.db2.gz ASTMFKVTRYEGOJ-QAPCUYQASA-N 0 0 397.544 4.741 50 0 GJAARN Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)CC3CCCC3)ccc12 ZINC000072404155 205344896 /nfs/dbraw/zinc/34/48/96/205344896.db2.gz SWXFXDILXSRURY-UHFFFAOYSA-N 0 0 378.428 4.808 50 0 biogenic GJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nnc(C2CCCC2)s1 ZINC000072405875 205344909 /nfs/dbraw/zinc/34/49/09/205344909.db2.gz AACVMXBVGGALQR-UHFFFAOYSA-N 0 0 388.493 4.640 50 0 GJAARN O=C(c1csc(Br)c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000079066574 205380259 /nfs/dbraw/zinc/38/02/59/205380259.db2.gz IFTJFAAXFKZOQF-KGLIPLIRSA-N 0 0 384.339 4.655 50 0 GJAARN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCCOC1CCCCC1 ZINC000084718131 205399042 /nfs/dbraw/zinc/39/90/42/205399042.db2.gz IXVBJVTXMJNRGH-GOSISDBHSA-N 0 0 396.531 4.700 50 0 GJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)Cc2ccccc2)C2CCCCC2)c1C ZINC000085711397 205401817 /nfs/dbraw/zinc/40/18/17/205401817.db2.gz REELBCRMSVLGKJ-UHFFFAOYSA-N 0 0 396.531 4.712 50 0 GJAARN CC(C)c1ccc(C(=O)N2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)cc1 ZINC000091876923 205427513 /nfs/dbraw/zinc/42/75/13/205427513.db2.gz FVDAZAYJJRLZPC-DEOSSOPVSA-N 0 0 382.548 4.597 50 0 GJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(c2nccs2)C1 ZINC000095503388 205474607 /nfs/dbraw/zinc/47/46/07/205474607.db2.gz JMXQTYWNAYERBI-KRWDZBQOSA-N 0 0 381.476 4.804 50 0 GJAARN Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1-c1ccccc1 ZINC000023143748 211787464 /nfs/dbraw/zinc/78/74/64/211787464.db2.gz OHZZBSZVZLUVSE-UHFFFAOYSA-N 0 0 389.842 4.600 50 0 GJAARN COc1ccc([C@@H](CC(N)=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096275440 205554339 /nfs/dbraw/zinc/55/43/39/205554339.db2.gz UBNQHFVYJIYGDQ-JOCHJYFZSA-N 0 0 384.479 4.706 50 0 GJAARN Cn1cc([C@@H](CCc2ccccc2)CC(=O)NCc2ccncc2)c2ccccc21 ZINC000096275813 205554503 /nfs/dbraw/zinc/55/45/03/205554503.db2.gz TXDSJWMGUMTHET-QFIPXVFZSA-N 0 0 397.522 4.996 50 0 GJAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(Cc2c[nH]c3ccccc23)n1 ZINC000097001747 205581180 /nfs/dbraw/zinc/58/11/80/205581180.db2.gz XQMDSGKPUMSBAY-QGZVFWFLSA-N 0 0 384.480 4.754 50 0 GJAARN O=C(Nc1cc(Cl)c(Cl)cn1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000097101138 205583746 /nfs/dbraw/zinc/58/37/46/205583746.db2.gz WYAYZVSLZCSRNV-UHFFFAOYSA-N 0 0 378.259 4.515 50 0 GJAARN CCN1c2ccc(Br)cc2[C@H](Cc2ccc(OC(C)C)cc2)C1=O ZINC000101014092 205615787 /nfs/dbraw/zinc/61/57/87/205615787.db2.gz NKKYYUXLRVWFDN-SFHVURJKSA-N 0 0 388.305 4.929 50 0 GJAARN CCN(C(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O)c1ccccc1 ZINC000101354223 205620811 /nfs/dbraw/zinc/62/08/11/205620811.db2.gz OKFCMSJKRQZXAY-UHFFFAOYSA-N 0 0 397.478 4.597 50 0 GJAARN CC(C)c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccco1 ZINC000022133423 211756859 /nfs/dbraw/zinc/75/68/59/211756859.db2.gz SEBUTVUFPOGABU-OAHLLOKOSA-N 0 0 395.528 4.895 50 0 GJAARN CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccccc1C ZINC000044040356 205661469 /nfs/dbraw/zinc/66/14/69/205661469.db2.gz RFIDHQMFOPAVTR-UHFFFAOYSA-N 0 0 390.512 4.825 50 0 GJAARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000044488551 205663533 /nfs/dbraw/zinc/66/35/33/205663533.db2.gz XSLXRLLTXMJESO-QGZVFWFLSA-N 0 0 394.515 4.513 50 0 GJAARN CCOC(=O)COc1c(Cl)cc(-c2nc3ccccc3s2)cc1OC ZINC000001058763 205706838 /nfs/dbraw/zinc/70/68/38/205706838.db2.gz GHTNBVMOFMYSJH-UHFFFAOYSA-N 0 0 377.849 4.567 50 0 GJAARN Cc1ccc(-c2nsc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000002917456 205722140 /nfs/dbraw/zinc/72/21/40/205722140.db2.gz XTFXQECGKZVXFQ-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000004036384 205730644 /nfs/dbraw/zinc/73/06/44/205730644.db2.gz VWGHTZBULHDEBO-UHFFFAOYSA-N 0 0 399.472 4.607 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 ZINC000021709793 211745319 /nfs/dbraw/zinc/74/53/19/211745319.db2.gz CLOVSWUMCUFGRT-IBGZPJMESA-N 0 0 393.512 4.890 50 0 GJAARN COc1cc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)cc(OC)c1OC ZINC000004330951 205747246 /nfs/dbraw/zinc/74/72/46/205747246.db2.gz ORHWQDRXESEOSY-UHFFFAOYSA-N 0 0 392.864 4.536 50 0 GJAARN O=C(Cc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000005264552 205763527 /nfs/dbraw/zinc/76/35/27/205763527.db2.gz NFNDQFRKZGFUJD-UHFFFAOYSA-N 0 0 377.444 4.606 50 0 GJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000006623897 205777599 /nfs/dbraw/zinc/77/75/99/205777599.db2.gz USILTYLZQLTPCC-UHFFFAOYSA-N 0 0 391.423 4.654 50 0 biogenic GJAARN CCC[C@@H](CNC(=O)CSc1ncccn1)c1ccc(Cl)cc1Cl ZINC000008728017 205796188 /nfs/dbraw/zinc/79/61/88/205796188.db2.gz IGRZFCQFNFULKH-LBPRGKRZSA-N 0 0 384.332 4.576 50 0 GJAARN CC(C)CCN1c2ccc(NC(=O)c3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000008959268 205802288 /nfs/dbraw/zinc/80/22/88/205802288.db2.gz QDVBYWCHOBNXEG-UHFFFAOYSA-N 0 0 398.478 4.876 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000001186754 205808784 /nfs/dbraw/zinc/80/87/84/205808784.db2.gz NREWIVXETBCCOU-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN Cc1c(N[P@@](C)(=O)Oc2ccc(C(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000101627847 205809577 /nfs/dbraw/zinc/80/95/77/205809577.db2.gz ZMIXIWMWUHYFII-NDEPHWFRSA-N 0 0 399.431 4.922 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OCC ZINC000005466587 205818509 /nfs/dbraw/zinc/81/85/09/205818509.db2.gz SENCENFEPIXUIB-UHFFFAOYSA-N 0 0 382.229 4.638 50 0 GJAARN CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(Oc4cccnn4)c3)cc12 ZINC000170651660 205859934 /nfs/dbraw/zinc/85/99/34/205859934.db2.gz PQNURXKVLRASIX-UHFFFAOYSA-N 0 0 393.472 4.593 50 0 GJAARN CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000169772742 205839212 /nfs/dbraw/zinc/83/92/12/205839212.db2.gz ARXGTLPPOIHYQA-QFIPXVFZSA-N 0 0 390.527 4.655 50 0 GJAARN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc2sncc2c1 ZINC000170609538 205852813 /nfs/dbraw/zinc/85/28/13/205852813.db2.gz QZMMLPCQESYBHO-SFHVURJKSA-N 0 0 387.480 4.659 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012924632 205882685 /nfs/dbraw/zinc/88/26/85/205882685.db2.gz WTLFRXATICPRCR-JXMROGBWSA-N 0 0 382.891 4.539 50 0 GJAARN CC(C)c1ccc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)cc1 ZINC000013698587 205890289 /nfs/dbraw/zinc/89/02/89/205890289.db2.gz TWNZOXUBJAJWOB-UHFFFAOYSA-N 0 0 381.501 4.514 50 0 GJAARN Cn1c2ccc3ccccc3c2s/c1=N/C(=O)c1ccccc1Br ZINC000011852831 205870227 /nfs/dbraw/zinc/87/02/27/205870227.db2.gz HRLYIUCPDSEAJL-XUTLUUPISA-N 0 0 397.297 4.897 50 0 GJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1C[C@@H](C(C)(C)C(C)C)C[C@@H](C)C1=O ZINC000012662779 205877896 /nfs/dbraw/zinc/87/78/96/205877896.db2.gz JQRKTVYMLPNBDE-KGZPDETFSA-N 0 0 388.504 4.829 50 0 biogenic GJAARN Cc1nc2ccccc2nc1CS[C@H](C)C(=O)NCc1ccccc1Cl ZINC000012976716 205881434 /nfs/dbraw/zinc/88/14/34/205881434.db2.gz GXPNJLLOLBSPDU-CQSZACIVSA-N 0 0 385.920 4.530 50 0 GJAARN O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccco1 ZINC000016848890 205907781 /nfs/dbraw/zinc/90/77/81/205907781.db2.gz OMHJSBMEVDGFME-UHFFFAOYSA-N 0 0 385.876 4.558 50 0 GJAARN O=C(CCC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000057995432 205962991 /nfs/dbraw/zinc/96/29/91/205962991.db2.gz OHOANNHLUQKOLD-SFHVURJKSA-N 0 0 386.289 4.776 50 0 GJAARN O=C(/C=C/c1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000058098258 205963419 /nfs/dbraw/zinc/96/34/19/205963419.db2.gz SJDNEHVVJIRZHL-BUHFOSPRSA-N 0 0 385.442 4.553 50 0 GJAARN Cn1c(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)nc2ccccc21 ZINC000028229773 206036093 /nfs/dbraw/zinc/03/60/93/206036093.db2.gz ANYKXEMTGVKWJN-UHFFFAOYSA-N 0 0 381.819 4.651 50 0 GJAARN CC(C)C(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000028293974 206042430 /nfs/dbraw/zinc/04/24/30/206042430.db2.gz BCNXVPGZEYUASC-NSHDSACASA-N 0 0 377.621 4.586 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)CN(C)C(=O)c3ccccc3)ccc21 ZINC000028490546 206043325 /nfs/dbraw/zinc/04/33/25/206043325.db2.gz LKDDSDOASADJPH-UHFFFAOYSA-N 0 0 385.467 4.525 50 0 GJAARN CC[C@@H](Nc1ccc2c(c1)c1ccccc1n2CC)C(=O)Nc1cc(C)on1 ZINC000028625728 206046334 /nfs/dbraw/zinc/04/63/34/206046334.db2.gz VKMQRPSOFQTLRO-GOSISDBHSA-N 0 0 376.460 4.940 50 0 GJAARN FC(F)(F)c1cnc(N(CCc2ccccn2)Cc2cccnc2)c(Cl)c1 ZINC000225479298 206051680 /nfs/dbraw/zinc/05/16/80/206051680.db2.gz MXDCPRACULHQLM-UHFFFAOYSA-N 0 0 392.812 4.793 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225730080 206070809 /nfs/dbraw/zinc/07/08/09/206070809.db2.gz ARFHYGQNYYIXOH-KRWDZBQOSA-N 0 0 392.421 4.691 50 0 GJAARN O=C(NCc1ccc(Oc2nccs2)cc1)c1cc(-c2ccccc2)on1 ZINC000225647138 206064032 /nfs/dbraw/zinc/06/40/32/206064032.db2.gz BTDAGSMTKFEPKU-UHFFFAOYSA-N 0 0 377.425 4.520 50 0 GJAARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 ZINC000031411708 206089662 /nfs/dbraw/zinc/08/96/62/206089662.db2.gz SRVOEDLWAUIOCX-UHFFFAOYSA-N 0 0 398.509 4.719 50 0 GJAARN O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1Cl ZINC000032911955 206096349 /nfs/dbraw/zinc/09/63/49/206096349.db2.gz DUWPDMZGIOHXST-UHFFFAOYSA-N 0 0 392.208 4.639 50 0 GJAARN COc1ccc(CCC(=O)NCc2cccc(COCc3ccccc3)c2)cc1 ZINC000032925129 206096619 /nfs/dbraw/zinc/09/66/19/206096619.db2.gz HFQOOMMEZIHSHW-UHFFFAOYSA-N 0 0 389.495 4.661 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@H](/C=C\c1ccco1)Nc1ccccc1-2 ZINC000034201472 206099365 /nfs/dbraw/zinc/09/93/65/206099365.db2.gz LEJNBVCHXBEIKE-QXPKXGMISA-N 0 0 380.473 4.868 50 0 GJAARN CCCOc1ccc(N[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCCC ZINC000032810873 206092514 /nfs/dbraw/zinc/09/25/14/206092514.db2.gz CIKFORAJXURXFN-MRXNPFEDSA-N 0 0 386.492 4.712 50 0 GJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000032777570 206093455 /nfs/dbraw/zinc/09/34/55/206093455.db2.gz YZXOBVDTURDGNH-AWEZNQCLSA-N 0 0 390.314 4.623 50 0 GJAARN CC(C)c1cc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)c(O)c(C(C)C)c1 ZINC000032956592 206094365 /nfs/dbraw/zinc/09/43/65/206094365.db2.gz MNFNYIZMSDBVHT-AWEZNQCLSA-N 0 0 389.517 4.735 50 0 GJAARN CC(C)c1cc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c(O)c(C(C)C)c1 ZINC000032956598 206094672 /nfs/dbraw/zinc/09/46/72/206094672.db2.gz QOLOUXJSZFTXGB-MRXNPFEDSA-N 0 0 383.488 4.501 50 0 GJAARN O=c1cc(CSc2nc3cc(Cl)ccc3[nH]2)nc2sc3ccccc3n21 ZINC000032911166 206095628 /nfs/dbraw/zinc/09/56/28/206095628.db2.gz CBSZAEPZKFIMHE-UHFFFAOYSA-N 0 0 398.900 4.731 50 0 GJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000012827805 211691028 /nfs/dbraw/zinc/69/10/28/211691028.db2.gz GSCWDCSCURMTQR-UHFFFAOYSA-N 0 0 386.908 4.812 50 0 GJAARN CO[C@@](C)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1F ZINC000096123518 206120075 /nfs/dbraw/zinc/12/00/75/206120075.db2.gz KYYLGDJKGIIWKV-DEOSSOPVSA-N 0 0 391.442 4.741 50 0 GJAARN CCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1 ZINC000096119607 206120104 /nfs/dbraw/zinc/12/01/04/206120104.db2.gz WBNKUJHKUGYFAI-UHFFFAOYSA-N 0 0 378.432 4.581 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2OC)cc1 ZINC000239174176 206124372 /nfs/dbraw/zinc/12/43/72/206124372.db2.gz PKUHOXJENXEMMM-QPPBQGQZSA-N 0 0 386.451 4.946 50 0 GJAARN CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000242164644 206128281 /nfs/dbraw/zinc/12/82/81/206128281.db2.gz WWRSSAHTFPZHKW-UHFFFAOYSA-N 0 0 389.402 4.832 50 0 GJAARN Cc1sc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1-c1ccc(F)cc1 ZINC000252537143 206144488 /nfs/dbraw/zinc/14/44/88/206144488.db2.gz KKUPXABXGYGNJC-MRXNPFEDSA-N 0 0 394.471 4.718 50 0 GJAARN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000252549677 206144579 /nfs/dbraw/zinc/14/45/79/206144579.db2.gz RRLBDVIERVZFEX-PXNSSMCTSA-N 0 0 388.511 4.542 50 0 GJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000248101197 206135734 /nfs/dbraw/zinc/13/57/34/206135734.db2.gz PENMLYDAGXHMAS-URXFXBBRSA-N 0 0 386.426 4.887 50 0 GJAARN CC(C)c1csc(CCNC(=O)COc2cccc3c2ccn3C(C)C)n1 ZINC000253414124 206145203 /nfs/dbraw/zinc/14/52/03/206145203.db2.gz WOGSCARYMQFYMM-UHFFFAOYSA-N 0 0 385.533 4.540 50 0 GJAARN CC(C)CC[C@@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000253536124 206149732 /nfs/dbraw/zinc/14/97/32/206149732.db2.gz CTXZLVFEGVGHRL-SNVBAGLBSA-N 0 0 399.716 4.911 50 0 GJAARN COC(=O)c1cc(OC)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000000638966 211604397 /nfs/dbraw/zinc/60/43/97/211604397.db2.gz ATEQFFGYRTYMPG-UHFFFAOYSA-N 0 0 378.424 4.640 50 0 GJAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000008959735 211602790 /nfs/dbraw/zinc/60/27/90/211602790.db2.gz KXGLPIZMZCEJAX-UHFFFAOYSA-N 0 0 380.488 4.655 50 0 GJAARN CC(C)Cn1c(SCC(=O)c2cccs2)nnc1-c1ccccc1F ZINC000008394637 211595480 /nfs/dbraw/zinc/59/54/80/211595480.db2.gz QDQURXGAXDILOP-UHFFFAOYSA-N 0 0 375.494 4.777 50 0 GJAARN Cc1cc(C)n2nc(SCc3csc(-c4ccccc4Cl)n3)nc2n1 ZINC000008491463 211597838 /nfs/dbraw/zinc/59/78/38/211597838.db2.gz QDANPTJSDLHHOV-UHFFFAOYSA-N 0 0 387.921 4.810 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccco1 ZINC000008009851 211593707 /nfs/dbraw/zinc/59/37/07/211593707.db2.gz VSGFLPWJJBCYEC-CCEZHUSRSA-N 0 0 383.451 4.804 50 0 GJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000006623859 211575702 /nfs/dbraw/zinc/57/57/02/211575702.db2.gz KIYBNXNPEWNGSB-UHFFFAOYSA-N 0 0 391.423 4.654 50 0 biogenic GJAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1cccc(Cl)c1Cl ZINC000005442291 211567742 /nfs/dbraw/zinc/56/77/42/211567742.db2.gz SLICVOWVBPCASJ-UHFFFAOYSA-N 0 0 380.256 4.774 50 0 GJAARN COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000005256079 211560995 /nfs/dbraw/zinc/56/09/95/211560995.db2.gz PWHIOKSHCLYWJQ-FQEVSTJZSA-N 0 0 381.863 4.787 50 0 GJAARN Cc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1 ZINC000004162793 211534033 /nfs/dbraw/zinc/53/40/33/211534033.db2.gz KUULEONUCWUVPI-FQEVSTJZSA-N 0 0 392.480 4.797 50 0 GJAARN COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)c(OC)c1 ZINC000003227454 211520110 /nfs/dbraw/zinc/52/01/10/211520110.db2.gz WVKCKSIXJCWIIH-UHFFFAOYSA-N 0 0 397.500 4.772 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2)cc1 ZINC000001178340 211502686 /nfs/dbraw/zinc/50/26/86/211502686.db2.gz CXCGTJHSCVCEBB-NTCAYCPXSA-N 0 0 387.483 4.574 50 0 GJAARN COc1cccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)c1 ZINC000001115274 211502694 /nfs/dbraw/zinc/50/26/94/211502694.db2.gz QHFIAPGQHJWVGG-RCCKNPSSSA-N 0 0 385.419 4.619 50 0 GJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1cccc(Cl)c1 ZINC000000845491 211491827 /nfs/dbraw/zinc/49/18/27/211491827.db2.gz PVYYEFAQMDQUJL-IBGZPJMESA-N 0 0 389.929 4.930 50 0 GJAARN Cc1nnc([C@H](C)Sc2nc3ccccc3c(=O)n2CCC2=CCCCC2)o1 ZINC000048187420 211456413 /nfs/dbraw/zinc/45/64/13/211456413.db2.gz SUONBDBRVRHEMO-AWEZNQCLSA-N 0 0 396.516 4.832 50 0 GJAARN C[C@@H](Nc1cccc(CN2CCCC2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000045820966 211451815 /nfs/dbraw/zinc/45/18/15/211451815.db2.gz IKTRVRJWHKWPDQ-QGZVFWFLSA-N 0 0 393.531 4.546 50 0 GJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 ZINC000101889614 211407557 /nfs/dbraw/zinc/40/75/57/211407557.db2.gz SDCWCBCCXXJTKX-ZNOIYHFQSA-N 0 0 396.874 4.518 50 0 GJAARN Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098073062 211377314 /nfs/dbraw/zinc/37/73/14/211377314.db2.gz UUIYIVGXULJTCU-UHFFFAOYSA-N 0 0 394.212 4.577 50 0 GJAARN CCOc1ccc(/C=C\C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000098053170 211377078 /nfs/dbraw/zinc/37/70/78/211377078.db2.gz YROBGBUGCFCOQH-KAMYIIQDSA-N 0 0 385.467 4.652 50 0 GJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)c1cccs1 ZINC000100998303 211394797 /nfs/dbraw/zinc/39/47/97/211394797.db2.gz AXZDFUDYASGPCU-GOSISDBHSA-N 0 0 399.479 4.648 50 0 GJAARN CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc2c(c1)OCO2 ZINC000100676466 211388408 /nfs/dbraw/zinc/38/84/08/211388408.db2.gz ZDKJWYHEAMMWST-UHFFFAOYSA-N 0 0 379.412 4.626 50 0 biogenic GJAARN Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1Br ZINC000100146973 211383934 /nfs/dbraw/zinc/38/39/34/211383934.db2.gz JQUBWNSDBPODLP-ZDUSSCGKSA-N 0 0 392.680 4.533 50 0 GJAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cccc(Br)n1 ZINC000097162777 211360148 /nfs/dbraw/zinc/36/01/48/211360148.db2.gz TXBGQDCGBYIVLE-UHFFFAOYSA-N 0 0 393.235 4.537 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)/C=C\c2cc3ccccc3o2)c(OC)c1 ZINC000096932172 211352096 /nfs/dbraw/zinc/35/20/96/211352096.db2.gz KWDLWDNCZRHJFW-QXHGNLAOSA-N 0 0 377.440 4.827 50 0 GJAARN O=C(/C=C\c1cnn(-c2ccccc2)c1)NC(c1ccccc1)c1ccccc1 ZINC000096911729 211351476 /nfs/dbraw/zinc/35/14/76/211351476.db2.gz DOKKYUDRGLGUNG-MSUUIHNZSA-N 0 0 379.463 4.791 50 0 GJAARN COc1ccc(/C=C2\SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 ZINC000096602716 211345700 /nfs/dbraw/zinc/34/57/00/211345700.db2.gz WCJXHZGTXOLABI-YVLHZVERSA-N 0 0 388.876 4.763 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096543710 211343193 /nfs/dbraw/zinc/34/31/93/211343193.db2.gz HNZPTJAPRGQEAJ-NTMALXAHSA-N 0 0 382.891 4.539 50 0 GJAARN Fc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3Cl)C4)n2)cc1 ZINC000097086760 211357731 /nfs/dbraw/zinc/35/77/31/211357731.db2.gz QNEVQFWLELGOER-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN CCCCN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccccc1Cl ZINC000096293541 211330666 /nfs/dbraw/zinc/33/06/66/211330666.db2.gz FMNQIPIWZUBYIL-UHFFFAOYSA-N 0 0 383.879 4.875 50 0 GJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCn1ccc2ccccc21 ZINC000096223227 211319130 /nfs/dbraw/zinc/31/91/30/211319130.db2.gz MYNHMDSNHJZOEG-OAQYLSRUSA-N 0 0 387.483 4.715 50 0 GJAARN CCc1nc(C)c([C@@H](C)N(C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)s1 ZINC000096007798 211294043 /nfs/dbraw/zinc/29/40/43/211294043.db2.gz RFLUEKIJEQCZBR-CQSZACIVSA-N 0 0 399.516 4.649 50 0 GJAARN CCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000096135681 211307194 /nfs/dbraw/zinc/30/71/94/211307194.db2.gz VEUXRBZPQSRDBY-OAQYLSRUSA-N 0 0 384.476 4.910 50 0 GJAARN COc1cn(-c2ccccc2)nc1C(=O)N(c1ccc(C)cn1)C1CCCCC1 ZINC000095953586 211286338 /nfs/dbraw/zinc/28/63/38/211286338.db2.gz BGYKOFGNUFPFCD-UHFFFAOYSA-N 0 0 390.487 4.564 50 0 GJAARN CCN(CC)C(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1 ZINC000095947906 211285993 /nfs/dbraw/zinc/28/59/93/211285993.db2.gz ILMPIXMEHLYMJF-UHFFFAOYSA-N 0 0 397.500 4.754 50 0 GJAARN C[C@@H](OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cnc2ccccc2c1 ZINC000095942861 211283670 /nfs/dbraw/zinc/28/36/70/211283670.db2.gz NIUJOEQSGWSYCJ-AUUYWEPGSA-N 0 0 384.476 4.532 50 0 GJAARN COc1cccc(-c2cccc(NC(=O)C3CCN(C(=O)OC(C)C)CC3)c2)c1 ZINC000095528705 211274640 /nfs/dbraw/zinc/27/46/40/211274640.db2.gz GFCXZKXTYRPXHW-UHFFFAOYSA-N 0 0 396.487 4.558 50 0 GJAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 ZINC000095530061 211274173 /nfs/dbraw/zinc/27/41/73/211274173.db2.gz BTGBNLCHGRNDES-CQSZACIVSA-N 0 0 395.881 4.564 50 0 GJAARN Cc1cc(N(Cc2cccnc2)Cc2ccccc2C)nc(-c2ccccn2)n1 ZINC000095443177 211240877 /nfs/dbraw/zinc/24/08/77/211240877.db2.gz WGLSKVJQYZOAGS-UHFFFAOYSA-N 0 0 381.483 4.757 50 0 GJAARN O=C(CCSc1ccc2c(c1)OCCO2)Nc1ccc2oc(C3CC3)nc2c1 ZINC000095399263 211238612 /nfs/dbraw/zinc/23/86/12/211238612.db2.gz IUVZZPQSUIIUHR-UHFFFAOYSA-N 0 0 396.468 4.597 50 0 GJAARN O=C(NCc1nc2ccccc2s1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000095469937 211246063 /nfs/dbraw/zinc/24/60/63/211246063.db2.gz MQQUVYAUJJNQJV-OLZOCXBDSA-N 0 0 376.403 4.735 50 0 GJAARN Cc1nc2ccc(C(=O)N(Cc3nccs3)Cc3ccccc3)cc2nc1C ZINC000095387104 211233555 /nfs/dbraw/zinc/23/35/55/211233555.db2.gz VPPBFILFSNSBRV-UHFFFAOYSA-N 0 0 388.496 4.546 50 0 GJAARN COc1cccc([C@H]2CCN(C(=O)c3oc4cc(C)ccc4c3C)C2)c1OC ZINC000091746908 211205902 /nfs/dbraw/zinc/20/59/02/211205902.db2.gz BJZOMQUETLFEKB-INIZCTEOSA-N 0 0 379.456 4.697 50 0 GJAARN O=C(Nc1ncc(-c2ccccc2)s1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000089851259 211186193 /nfs/dbraw/zinc/18/61/93/211186193.db2.gz OEJSIOALKFMWEN-CVEARBPZSA-N 0 0 383.473 4.523 50 0 GJAARN CC(C)c1cnc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000089893513 211186205 /nfs/dbraw/zinc/18/62/05/211186205.db2.gz LGGNYKYHOAYCMX-SJORKVTESA-N 0 0 377.529 4.552 50 0 GJAARN O=C(C[C@H]1OCCc2ccccc21)NCc1ccc(OCc2ccccc2)cc1 ZINC000089836774 211184968 /nfs/dbraw/zinc/18/49/68/211184968.db2.gz LNUYGTGWWKRGJK-XMMPIXPASA-N 0 0 387.479 4.586 50 0 GJAARN O=C(Nc1ccc(OC(F)F)cc1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089774663 211183924 /nfs/dbraw/zinc/18/39/24/211183924.db2.gz LMILDVCUELQZGB-INIZCTEOSA-N 0 0 382.794 4.627 50 0 GJAARN Cc1c(C(=O)N(C2CC2)C2CCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000089544927 211181156 /nfs/dbraw/zinc/18/11/56/211181156.db2.gz DUFNHUYEYHGTNN-UHFFFAOYSA-N 0 0 377.410 4.747 50 0 GJAARN CC(=O)c1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)n(C)c1 ZINC000089291920 211180504 /nfs/dbraw/zinc/18/05/04/211180504.db2.gz JNECCHZIQBPBIL-UHFFFAOYSA-N 0 0 375.453 4.757 50 0 GJAARN COc1cccc(OC)c1C(=O)Nc1ccc(Oc2cccc3[nH]ccc32)nc1 ZINC000072405018 211112357 /nfs/dbraw/zinc/11/23/57/211112357.db2.gz RJMFKRLRZSKGLC-UHFFFAOYSA-N 0 0 389.411 4.625 50 0 GJAARN O=C1C[C@H](c2ccc(Br)cc2F)c2cnn(Cc3ccco3)c2N1 ZINC000072404599 211112383 /nfs/dbraw/zinc/11/23/83/211112383.db2.gz QJJIZCNCZSTVOM-CYBMUJFWSA-N 0 0 390.212 4.550 50 0 GJAARN S=c1[nH]nc(C2CC2)n1CCNc1nc2ccccc2c(-c2ccccc2)n1 ZINC000072307740 211087389 /nfs/dbraw/zinc/08/73/89/211087389.db2.gz PJANWJANSAALID-UHFFFAOYSA-N 0 0 388.500 4.540 50 0 GJAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2OCC)[nH]n1 ZINC000072331587 211091126 /nfs/dbraw/zinc/09/11/26/211091126.db2.gz AMQDGBSXHHSCJQ-UHFFFAOYSA-N 0 0 393.487 4.584 50 0 GJAARN CCOc1ccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000072333551 211091017 /nfs/dbraw/zinc/09/10/17/211091017.db2.gz HXJWYEFJVMSYNT-UHFFFAOYSA-N 0 0 380.517 4.719 50 0 GJAARN CCCCN(C(=O)Cc1csc(N2CCCC2=O)n1)[C@@H](CC)c1ccccc1 ZINC000072285128 211084928 /nfs/dbraw/zinc/08/49/28/211084928.db2.gz JYEREQKHVPRMGH-IBGZPJMESA-N 0 0 399.560 4.592 50 0 GJAARN CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000072307341 211086690 /nfs/dbraw/zinc/08/66/90/211086690.db2.gz OVPGMBLGOAMMBV-CQSZACIVSA-N 0 0 393.413 4.741 50 0 GJAARN C[C@@](NC(=O)COc1ccc(Oc2ccccc2)cc1)(C1CC1)C(F)(F)F ZINC000072307911 211086571 /nfs/dbraw/zinc/08/65/71/211086571.db2.gz WBZVKLPDJIEOQC-LJQANCHMSA-N 0 0 379.378 4.705 50 0 GJAARN CC1CCN(C(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)CC1 ZINC000071818374 211064564 /nfs/dbraw/zinc/06/45/64/211064564.db2.gz MENCBSJGWGUWPP-UHFFFAOYSA-N 0 0 394.302 4.851 50 0 GJAARN CC(C)Nc1ncc(CN2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)cn1 ZINC000071754059 211057757 /nfs/dbraw/zinc/05/77/57/211057757.db2.gz FQHLLTTVHXGJIL-QFIPXVFZSA-N 0 0 388.515 4.545 50 0 GJAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071759408 211058375 /nfs/dbraw/zinc/05/83/75/211058375.db2.gz QPLHHSAZWBUELT-MRXNPFEDSA-N 0 0 395.453 4.840 50 0 GJAARN Cc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cc2sc(N)nc21 ZINC000071752652 211056387 /nfs/dbraw/zinc/05/63/87/211056387.db2.gz PSVOGWQFINFUIA-MRXNPFEDSA-N 0 0 397.519 4.811 50 0 GJAARN O=C(CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c21)Nc1ccccc1F ZINC000071328174 211045446 /nfs/dbraw/zinc/04/54/46/211045446.db2.gz KYSLMSOBUHTWJE-UHFFFAOYSA-N 0 0 396.422 4.634 50 0 GJAARN CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(F)cc2F)s1 ZINC000071326544 211045455 /nfs/dbraw/zinc/04/54/55/211045455.db2.gz ZMBULLUMPFMFAP-UHFFFAOYSA-N 0 0 387.455 4.966 50 0 GJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N[C@@H]1CCc2ccccc21 ZINC000071326754 211044937 /nfs/dbraw/zinc/04/49/37/211044937.db2.gz MRJVCHRWKLVTNN-OAHLLOKOSA-N 0 0 384.892 4.661 50 0 GJAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3cccc(NC(C)=O)c3)s2)ccn1 ZINC000071284239 211043931 /nfs/dbraw/zinc/04/39/31/211043931.db2.gz MGAVXMIMYGUFON-UHFFFAOYSA-N 0 0 394.500 4.677 50 0 GJAARN O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)c1ccncc1 ZINC000069519257 211037881 /nfs/dbraw/zinc/03/78/81/211037881.db2.gz OFWNUTMDDBCUPF-LJQANCHMSA-N 0 0 392.484 4.764 50 0 GJAARN Cc1ccc(C2(NC(=O)c3coc(COc4cccc5cccnc54)n3)CC2)cc1 ZINC000067967364 211031624 /nfs/dbraw/zinc/03/16/24/211031624.db2.gz VIGOIPCNFQXRPG-UHFFFAOYSA-N 0 0 399.450 4.529 50 0 GJAARN COc1cccc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)c1 ZINC000067946355 211031107 /nfs/dbraw/zinc/03/11/07/211031107.db2.gz NCYZHZDGTBOJCE-UHFFFAOYSA-N 0 0 375.468 4.771 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)n1 ZINC000090608144 211036542 /nfs/dbraw/zinc/03/65/42/211036542.db2.gz AXUPCHZELGOEAW-UHFFFAOYSA-N 0 0 395.981 4.819 50 0 GJAARN O=C(NCCCn1ccnc1-c1ccccc1)NCc1cccc2ccccc21 ZINC000090583521 211035583 /nfs/dbraw/zinc/03/55/83/211035583.db2.gz TWVISMRVDSPAFI-UHFFFAOYSA-N 0 0 384.483 4.593 50 0 GJAARN Cc1ccc(-c2cn3c(C(=O)N(Cc4ccccn4)C4CC4)csc3n2)cc1 ZINC000067982629 211032385 /nfs/dbraw/zinc/03/23/85/211032385.db2.gz YODNHIKTPISBGX-UHFFFAOYSA-N 0 0 388.496 4.571 50 0 GJAARN Cc1noc(C)c1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067907951 211029155 /nfs/dbraw/zinc/02/91/55/211029155.db2.gz ASFKHMKNGSQHTQ-UHFFFAOYSA-N 0 0 384.863 4.712 50 0 GJAARN Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)CC(C)C)C3)cn2)c1C ZINC000067513464 211011270 /nfs/dbraw/zinc/01/12/70/211011270.db2.gz IJFCKDZMGLPLBP-FQEVSTJZSA-N 0 0 378.516 4.833 50 0 GJAARN Clc1cccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)c1 ZINC000067262689 211007468 /nfs/dbraw/zinc/00/74/68/211007468.db2.gz YGEUHEWVCUDCFN-UHFFFAOYSA-N 0 0 377.879 4.978 50 0 GJAARN COCc1nn2c(nccc2-c2ccccc2OC)c1-c1ccc(Cl)cc1 ZINC000067640748 211012994 /nfs/dbraw/zinc/01/29/94/211012994.db2.gz 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/nfs/dbraw/zinc/97/03/73/210970373.db2.gz ZNYRVLGWZWRQHG-UHFFFAOYSA-N 0 0 389.421 4.684 50 0 GJAARN Cc1ccc(CNC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc1 ZINC000065153873 210968814 /nfs/dbraw/zinc/96/88/14/210968814.db2.gz VCMYLQDFBAGRPO-UHFFFAOYSA-N 0 0 394.478 4.752 50 0 GJAARN CC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc32)cc1 ZINC000065114410 210966457 /nfs/dbraw/zinc/96/64/57/210966457.db2.gz IUGVYMIIRDARLR-UHFFFAOYSA-N 0 0 388.471 4.511 50 0 GJAARN CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000064659126 210943176 /nfs/dbraw/zinc/94/31/76/210943176.db2.gz KFZGBEGMAFWRIW-UHFFFAOYSA-N 0 0 376.865 4.560 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(OC)c2)no1 ZINC000064747480 210946117 /nfs/dbraw/zinc/94/61/17/210946117.db2.gz BZNREKYTWSIHQA-LJQANCHMSA-N 0 0 392.459 4.677 50 0 GJAARN COc1c2cc(F)ccc2sc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000064756462 210946023 /nfs/dbraw/zinc/94/60/23/210946023.db2.gz BXWCSTRHBGTNDY-UHFFFAOYSA-N 0 0 383.366 4.998 50 0 GJAARN CCC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000060378384 210926003 /nfs/dbraw/zinc/92/60/03/210926003.db2.gz YIHZKNFQZVDLOC-HNNXBMFYSA-N 0 0 388.430 4.530 50 0 GJAARN C[C@@H](Cc1c(F)cccc1F)NC(=O)c1cccnc1Nc1cccc(F)c1 ZINC000057336014 210896930 /nfs/dbraw/zinc/89/69/30/210896930.db2.gz FHKGAOITHXMXQX-ZDUSSCGKSA-N 0 0 385.389 4.604 50 0 GJAARN CCCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(F)ccc21 ZINC000049001968 210858244 /nfs/dbraw/zinc/85/82/44/210858244.db2.gz KEHYIEIWMRSWIZ-UHFFFAOYSA-N 0 0 383.810 4.921 50 0 GJAARN O=C(N[C@@H](CCO)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000044198183 210812668 /nfs/dbraw/zinc/81/26/68/210812668.db2.gz YOHULSLGGBJLLQ-QHCPKHFHSA-N 0 0 391.442 4.788 50 0 GJAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C)c3ccncc3)c12 ZINC000040130197 210776850 /nfs/dbraw/zinc/77/68/50/210776850.db2.gz QXLXHIKCOSUGOM-AWEZNQCLSA-N 0 0 379.508 4.504 50 0 GJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCC(C)C)cc1 ZINC000039844146 210763572 /nfs/dbraw/zinc/76/35/72/210763572.db2.gz WGOSETVARQBVBR-UHFFFAOYSA-N 0 0 388.464 4.690 50 0 GJAARN COc1ccc(-c2csc(C(=O)n3nc(C)cc3C)c2-n2cccc2)cc1 ZINC000038654834 210755580 /nfs/dbraw/zinc/75/55/80/210755580.db2.gz LVYQFXPQLXOGQM-UHFFFAOYSA-N 0 0 377.469 4.716 50 0 GJAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)c1 ZINC000036354668 210721772 /nfs/dbraw/zinc/72/17/72/210721772.db2.gz RWOSDYQMSJSAOI-CQSZACIVSA-N 0 0 383.835 4.667 50 0 GJAARN CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036365635 210724645 /nfs/dbraw/zinc/72/46/45/210724645.db2.gz LAEXHYQEYMXCEI-QFIPXVFZSA-N 0 0 390.527 4.906 50 0 GJAARN O=C(c1cccs1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C1CC1 ZINC000036161025 210711616 /nfs/dbraw/zinc/71/16/16/210711616.db2.gz CQLWSASFCZOCHI-UHFFFAOYSA-N 0 0 393.512 4.808 50 0 GJAARN CC(C)CNC(=O)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711702 210663856 /nfs/dbraw/zinc/66/38/56/210663856.db2.gz LMYFIIVLWXOBCV-UHFFFAOYSA-N 0 0 384.476 4.914 50 0 GJAARN Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCC(C)C)cc1 ZINC000034680050 210658823 /nfs/dbraw/zinc/65/88/23/210658823.db2.gz MRASZWCDDBLJQI-UHFFFAOYSA-N 0 0 394.559 4.889 50 0 GJAARN O=C(N/C=C\n1cnc2cc(C(F)(F)F)ccc21)c1ccc(C(F)(F)F)cc1 ZINC000033706136 210652138 /nfs/dbraw/zinc/65/21/38/210652138.db2.gz FSFWMCVESLXREJ-FPLPWBNLSA-N 0 0 399.294 4.932 50 0 GJAARN C[C@@H](NC(=O)CSc1nccnc1Sc1ccccc1)c1ccccc1 ZINC000033288861 210637878 /nfs/dbraw/zinc/63/78/78/210637878.db2.gz XWFRYPDRDQGKAI-OAHLLOKOSA-N 0 0 381.526 4.597 50 0 GJAARN Cc1ccc([C@@H](C)NC(=O)CSc2nccnc2Sc2ccccc2)cc1 ZINC000033288905 210638031 /nfs/dbraw/zinc/63/80/31/210638031.db2.gz NUNCIFCKIIHTBR-MRXNPFEDSA-N 0 0 395.553 4.906 50 0 GJAARN Cc1ccc(CNC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1 ZINC000033289038 210637321 /nfs/dbraw/zinc/63/73/21/210637321.db2.gz IUPMKBHMYVDZEW-UHFFFAOYSA-N 0 0 395.553 4.653 50 0 GJAARN Cc1[nH]c(-c2ccc(C)cc2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033139607 210628612 /nfs/dbraw/zinc/62/86/12/210628612.db2.gz IHOTZNDFYVSMIP-UHFFFAOYSA-N 0 0 393.918 4.914 50 0 GJAARN Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1ccccc1)[C@H](C)Cc1cccs1 ZINC000032988543 210611923 /nfs/dbraw/zinc/61/19/23/210611923.db2.gz YFFARCPGTYETBX-GZKZCVOOSA-N 0 0 393.556 4.772 50 0 GJAARN Cc1cccc(N2C(=O)c3ccccc3CC[C@@]2(C)C(=O)NCCC(C)C)c1C ZINC000032977851 210608830 /nfs/dbraw/zinc/60/88/30/210608830.db2.gz XCZJPNUVWPLCCQ-VWLOTQADSA-N 0 0 392.543 4.817 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1cccc(F)c1 ZINC000033048607 210618392 /nfs/dbraw/zinc/61/83/92/210618392.db2.gz NSRRGQAGUXDHQW-IBGZPJMESA-N 0 0 391.377 4.534 50 0 GJAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)Nc4c(C)cc(C)cc4C)C3)c2c1C ZINC000032959981 210608215 /nfs/dbraw/zinc/60/82/15/210608215.db2.gz ASFOUYXEIGKWOZ-GOSISDBHSA-N 0 0 392.503 4.620 50 0 GJAARN CC(=O)Nc1cccc([C@H](C)NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000032816616 210592925 /nfs/dbraw/zinc/59/29/25/210592925.db2.gz GJJRRVRIQWMNCI-INIZCTEOSA-N 0 0 378.516 4.852 50 0 GJAARN O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H]1CCSc2ccccc21 ZINC000032339147 210574774 /nfs/dbraw/zinc/57/47/74/210574774.db2.gz AAGDZLUKQZXJOH-LJQANCHMSA-N 0 0 392.480 4.606 50 0 GJAARN O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(CN2CCCC2=O)c1 ZINC000031798656 210567012 /nfs/dbraw/zinc/56/70/12/210567012.db2.gz URTYGEURWBDDKL-DEOSSOPVSA-N 0 0 390.527 4.860 50 0 GJAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1c2ccccc2Oc2ccccc21 ZINC000030525590 210554452 /nfs/dbraw/zinc/55/44/52/210554452.db2.gz JSHIHGOQESQRBK-UHFFFAOYSA-N 0 0 398.462 4.799 50 0 GJAARN COc1cc(C)ccc1Oc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cn1 ZINC000040090807 210524149 /nfs/dbraw/zinc/52/41/49/210524149.db2.gz ZEGWUEYQXYUKON-SJPCQFCGSA-N 0 0 394.471 4.525 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 ZINC000039996897 210521401 /nfs/dbraw/zinc/52/14/01/210521401.db2.gz QBPOMJDEJHLHOC-QGZVFWFLSA-N 0 0 381.501 4.575 50 0 GJAARN O=C(c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023308812 210438551 /nfs/dbraw/zinc/43/85/51/210438551.db2.gz JRIXAJQCMCQKLH-HSZRJFAPSA-N 0 0 390.914 4.887 50 0 GJAARN COc1ccc(OC)c(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)c1 ZINC000021890415 210398808 /nfs/dbraw/zinc/39/88/08/210398808.db2.gz MUPPTNDXAWOOME-OAHLLOKOSA-N 0 0 377.444 4.603 50 0 GJAARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1cccc2ncccc21 ZINC000022242238 210409750 /nfs/dbraw/zinc/40/97/50/210409750.db2.gz PLSASSYCELSKQH-UHFFFAOYSA-N 0 0 383.854 4.630 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(N2CCCC2)n1 ZINC000021794191 210393362 /nfs/dbraw/zinc/39/33/62/210393362.db2.gz KOTHORIKKKCFFK-UHFFFAOYSA-N 0 0 391.450 4.520 50 0 GJAARN CCc1ccc(NC(=O)[C@H](CC)n2nc(-c3cc(C)ccc3C)ccc2=O)cc1 ZINC000021783524 210393155 /nfs/dbraw/zinc/39/31/55/210393155.db2.gz XLQPPDSEKFOXLF-QFIPXVFZSA-N 0 0 389.499 4.679 50 0 GJAARN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccc2)n1 ZINC000021787713 210393002 /nfs/dbraw/zinc/39/30/02/210393002.db2.gz ZUQSYKUKSGWOFB-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccnc2)c1 ZINC000021715725 210392179 /nfs/dbraw/zinc/39/21/79/210392179.db2.gz VQHBQQSPSQWJOZ-XMMPIXPASA-N 0 0 397.478 4.750 50 0 GJAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3cccc(CC)c3)CC2)s1 ZINC000021716328 210391589 /nfs/dbraw/zinc/39/15/89/210391589.db2.gz IAAWQFZMVYOMGK-UHFFFAOYSA-N 0 0 394.544 4.671 50 0 GJAARN CCCc1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 ZINC000021720007 210390913 /nfs/dbraw/zinc/39/09/13/210390913.db2.gz MZNFJTPEOSUFSZ-NRFANRHFSA-N 0 0 380.492 4.753 50 0 GJAARN O=C1C[C@H](c2ccc(Cl)cc2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000021725758 210390973 /nfs/dbraw/zinc/39/09/73/210390973.db2.gz DGFWQUQMTDSRDZ-CYBMUJFWSA-N 0 0 380.860 4.610 50 0 GJAARN Cc1ccc(CNC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000021704916 210389547 /nfs/dbraw/zinc/38/95/47/210389547.db2.gz QJUVPKHIAHATLB-UHFFFAOYSA-N 0 0 384.483 4.978 50 0 GJAARN CC(=O)Nc1ccc(-c2cc(C(=O)N3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000021662931 210389303 /nfs/dbraw/zinc/38/93/03/210389303.db2.gz OQQDXGCEEOYTCB-UHFFFAOYSA-N 0 0 387.483 4.795 50 0 GJAARN Cc1cc(-n2ccnc(NC[C@@H](C)c3ccccc3)c2=O)ccc1Br ZINC000021537021 210385851 /nfs/dbraw/zinc/38/58/51/210385851.db2.gz YADDLSHHQHFJSW-OAHLLOKOSA-N 0 0 398.304 4.519 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1cccnc1)c1ccccc1 ZINC000021819352 210394656 /nfs/dbraw/zinc/39/46/56/210394656.db2.gz PBZATMMOEOQGOH-IBGZPJMESA-N 0 0 385.389 4.570 50 0 GJAARN Cc1[nH]nc2c1[C@@H](c1ccccc1OCc1cccc(Cl)c1)SCC(=O)N2 ZINC000021788320 210394136 /nfs/dbraw/zinc/39/41/36/210394136.db2.gz PZJUZUMDYAPYHY-LJQANCHMSA-N 0 0 399.903 4.725 50 0 GJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccccc2)cc1Cl ZINC000021108092 210378054 /nfs/dbraw/zinc/37/80/54/210378054.db2.gz CNIZGIRGFZNVLN-FQEVSTJZSA-N 0 0 395.846 4.523 50 0 GJAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(F)c(F)c2)cc1 ZINC000021105492 210376712 /nfs/dbraw/zinc/37/67/12/210376712.db2.gz GUJPSQGFCQLBBA-HXUWFJFHSA-N 0 0 381.382 4.530 50 0 GJAARN CCc1c(C)sc2c1CCN(CC(=O)NCCC(C)C)[C@H]2c1ccccc1 ZINC000021045478 210375920 /nfs/dbraw/zinc/37/59/20/210375920.db2.gz KMNZNYNEPFRLKR-QFIPXVFZSA-N 0 0 384.589 4.729 50 0 GJAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000021034052 210375480 /nfs/dbraw/zinc/37/54/80/210375480.db2.gz LSCFECFZXRFTFF-UHFFFAOYSA-N 0 0 382.485 4.945 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000021523592 210384498 /nfs/dbraw/zinc/38/44/98/210384498.db2.gz DNRXMIRWGFHCGI-ZDUSSCGKSA-N 0 0 396.422 4.543 50 0 GJAARN O=C(Nc1ccc(Br)cc1F)N1Cc2cccn2-c2ccccc21 ZINC000021533957 210383117 /nfs/dbraw/zinc/38/31/17/210383117.db2.gz FZDSOMCSMTVQOJ-UHFFFAOYSA-N 0 0 386.224 4.931 50 0 GJAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCCC3=CCCCC3)cc2s1 ZINC000021353252 210381363 /nfs/dbraw/zinc/38/13/63/210381363.db2.gz XLKVHZHWXQWQTO-UHFFFAOYSA-N 0 0 399.560 4.830 50 0 GJAARN Cc1ccc2[nH]c(C(=O)NCC(C)C)c(NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000021361675 210381430 /nfs/dbraw/zinc/38/14/30/210381430.db2.gz CESCSHNIBGQKII-UHFFFAOYSA-N 0 0 383.879 4.768 50 0 GJAARN CC(C)c1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(O)c2)[nH]n1 ZINC000020998407 210372070 /nfs/dbraw/zinc/37/20/70/210372070.db2.gz HSSJIGGWBGVLMU-XMMPIXPASA-N 0 0 386.499 4.868 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000020893051 210366794 /nfs/dbraw/zinc/36/67/94/210366794.db2.gz BHYFWFDMRHSZLJ-INIZCTEOSA-N 0 0 375.906 4.670 50 0 GJAARN Cc1[nH]nc2c1[C@H](c1ccccc1OCc1ccccc1Cl)SCC(=O)N2 ZINC000020898815 210366618 /nfs/dbraw/zinc/36/66/18/210366618.db2.gz DVCAXMVDIPGXRR-IBGZPJMESA-N 0 0 399.903 4.725 50 0 GJAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1 ZINC000020892267 210366641 /nfs/dbraw/zinc/36/66/41/210366641.db2.gz JCQRRKMBCPVJAH-LJQANCHMSA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1F)SCC(=O)N2 ZINC000020891924 210366184 /nfs/dbraw/zinc/36/61/84/210366184.db2.gz QQDLIMAMBCUOAZ-GOSISDBHSA-N 0 0 387.867 4.748 50 0 GJAARN COc1ccc(-c2noc(-c3cccc(NC(=O)c4cccc(C)c4)c3)n2)cc1 ZINC000020900027 210366336 /nfs/dbraw/zinc/36/63/36/210366336.db2.gz VRFQEDXTXQSIER-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN COc1cccc(C(=O)Nc2cccc(-c3nc(-c4ccccc4C)no3)c2)c1 ZINC000020899999 210366036 /nfs/dbraw/zinc/36/60/36/210366036.db2.gz OUEIHZHDBDMBOO-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN Cc1cccc([C@@H]2CCCN2C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)c1 ZINC000020899914 210366087 /nfs/dbraw/zinc/36/60/87/210366087.db2.gz UMWREGRLYIXAFZ-SFHVURJKSA-N 0 0 396.441 4.830 50 0 GJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 ZINC000021034009 210375297 /nfs/dbraw/zinc/37/52/97/210375297.db2.gz JTXYPSBOTQRNHN-UHFFFAOYSA-N 0 0 398.484 4.727 50 0 GJAARN COc1ccc(C[NH2+]Cc2c(C)n(-c3ccc(Cl)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021024709 210375172 /nfs/dbraw/zinc/37/51/72/210375172.db2.gz QIGXEFZOWMRCKT-UHFFFAOYSA-N 0 0 398.890 4.744 50 0 GJAARN CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4cccs4)ccc32)cc1 ZINC000020829707 210362943 /nfs/dbraw/zinc/36/29/43/210362943.db2.gz IKHXWGCZFWGTRV-UHFFFAOYSA-N 0 0 391.496 4.724 50 0 GJAARN COc1ccccc1[C@H]1CC(=O)c2c(C)nc(Nc3ccc(F)cc3)nc2C1 ZINC000020795861 210361316 /nfs/dbraw/zinc/36/13/16/210361316.db2.gz IRWKCXDDYYEUQA-CQSZACIVSA-N 0 0 377.419 4.589 50 0 GJAARN O=C(Nc1ccc(N2CCCn3c4ccccc4nc3C2)cc1)C1CCCCC1 ZINC000020728035 210357773 /nfs/dbraw/zinc/35/77/73/210357773.db2.gz CZHUECAYDODXMJ-UHFFFAOYSA-N 0 0 388.515 4.965 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 ZINC000020605759 210352368 /nfs/dbraw/zinc/35/23/68/210352368.db2.gz DMSJMOUQWOIFDS-UHFFFAOYSA-N 0 0 399.420 4.824 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCc3ccco3)c12 ZINC000020579018 210348325 /nfs/dbraw/zinc/34/83/25/210348325.db2.gz ZLKZTXXXVVPHLP-UHFFFAOYSA-N 0 0 394.862 4.522 50 0 GJAARN Fc1ccc(-c2noc3ncnc(N4CCC(Cc5ccccc5)CC4)c32)cc1 ZINC000020574413 210347681 /nfs/dbraw/zinc/34/76/81/210347681.db2.gz YDUAIMNVQGOAMN-UHFFFAOYSA-N 0 0 388.446 4.883 50 0 GJAARN COc1cc(NC(=O)C2=Cc3sc4c(c3CS2)CCCC4)cc(OC)c1 ZINC000020557430 210346022 /nfs/dbraw/zinc/34/60/22/210346022.db2.gz JDUNEASDZQSALK-UHFFFAOYSA-N 0 0 387.526 4.871 50 0 GJAARN Cn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(Cl)c2)cn1 ZINC000020515766 210343923 /nfs/dbraw/zinc/34/39/23/210343923.db2.gz OWWKQXZJYTZLLN-QFIPXVFZSA-N 0 0 376.891 4.703 50 0 GJAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000020486794 210340436 /nfs/dbraw/zinc/34/04/36/210340436.db2.gz FBOMQGUQPILZSE-UHFFFAOYSA-N 0 0 391.490 4.708 50 0 GJAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2nc(-c3ccccc3)no2)C1 ZINC000020389588 210330563 /nfs/dbraw/zinc/33/05/63/210330563.db2.gz SYLYDKPGTKIFGG-HXUWFJFHSA-N 0 0 399.498 4.726 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3C[C@H](C)C[C@H](C)C3)c12 ZINC000020283753 210325762 /nfs/dbraw/zinc/32/57/62/210325762.db2.gz YNNFPMLIPVCIBZ-OKILXGFUSA-N 0 0 396.922 4.809 50 0 GJAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NCc2nc(-c3ccccc3)no2)C1 ZINC000020389593 210332286 /nfs/dbraw/zinc/33/22/86/210332286.db2.gz SYLYDKPGTKIFGG-FQEVSTJZSA-N 0 0 399.498 4.726 50 0 GJAARN Cc1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C(N)=O)c1C ZINC000002734065 209380515 /nfs/dbraw/zinc/38/05/15/209380515.db2.gz KODIQUPNXAEIIH-UHFFFAOYSA-N 0 0 378.906 4.893 50 0 GJAARN Cc1c(C(=O)Nc2ccc3ccccc3c2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911330 210307679 /nfs/dbraw/zinc/30/76/79/210307679.db2.gz WIKNGONDVOAPAD-UHFFFAOYSA-N 0 0 394.381 4.583 50 0 GJAARN CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1nc2ccccc2s1 ZINC000000752982 220457995 /nfs/dbraw/zinc/45/79/95/220457995.db2.gz ZKGZZNDSSPSZMH-UHFFFAOYSA-N 0 0 381.844 4.569 50 0 GJAARN CCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000000954892 220469677 /nfs/dbraw/zinc/46/96/77/220469677.db2.gz UNCVERUEULCBBY-UXBLZVDNSA-N 0 0 378.255 4.751 50 0 GJAARN O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000001181110 220482216 /nfs/dbraw/zinc/48/22/16/220482216.db2.gz PHGYBCZBJXLDND-ZHACJKMWSA-N 0 0 389.436 4.614 50 0 GJAARN CCc1cccc(CC)c1NC(=O)c1ccc(I)cc1 ZINC000004828354 220770775 /nfs/dbraw/zinc/77/07/75/220770775.db2.gz IASPDMZSQOUGQT-UHFFFAOYSA-N 0 0 379.241 4.668 50 0 GJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)c1 ZINC000007987935 221020688 /nfs/dbraw/zinc/02/06/88/221020688.db2.gz AAYMBUBWVGFBDZ-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000008608433 221046608 /nfs/dbraw/zinc/04/66/08/221046608.db2.gz RPPISVICYKMNLE-UHFFFAOYSA-N 0 0 388.876 4.982 50 0 GJAARN CC[C@@H](Nc1ccc(-c2nc(COc3ccccc3)no2)cn1)c1ccncc1 ZINC000011822117 221130658 /nfs/dbraw/zinc/13/06/58/221130658.db2.gz UPOPSZKKBXYWCZ-LJQANCHMSA-N 0 0 387.443 4.669 50 0 GJAARN O=C(c1ccco1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011839872 221131410 /nfs/dbraw/zinc/13/14/10/221131410.db2.gz HRSMNNWEZIOGMD-SFHVURJKSA-N 0 0 375.424 4.807 50 0 GJAARN COc1ccc(Cl)cc1NCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011125302 221111513 /nfs/dbraw/zinc/11/15/13/221111513.db2.gz MKJLMNJPMHJFBK-FQEVSTJZSA-N 0 0 386.904 4.728 50 0 GJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2nc(C)c[nH]2)cc1C ZINC000011663764 221120181 /nfs/dbraw/zinc/12/01/81/221120181.db2.gz CDHBQMIJAHBXMQ-XMMPIXPASA-N 0 0 386.499 4.664 50 0 GJAARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccc(Cl)cc3)sc2C1 ZINC000011917325 221137427 /nfs/dbraw/zinc/13/74/27/221137427.db2.gz GBTGVEDKMUZQNT-GFCCVEGCSA-N 0 0 378.925 4.965 50 0 GJAARN C[C@H](Sc1nnc(C2CCCC2)[nH]1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012103930 221150925 /nfs/dbraw/zinc/15/09/25/221150925.db2.gz DJTXNEIPPHOUPB-JTQLQIEISA-N 0 0 384.427 4.600 50 0 GJAARN CCCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCC)cc1 ZINC000011915571 221136502 /nfs/dbraw/zinc/13/65/02/221136502.db2.gz WGPKHUMJRGDHRS-UHFFFAOYSA-N 0 0 381.432 4.567 50 0 GJAARN Cc1cc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)ccc1Cl ZINC000011916742 221136559 /nfs/dbraw/zinc/13/65/59/221136559.db2.gz ZPGDAYFMXGTTDU-NSHDSACASA-N 0 0 391.855 4.712 50 0 GJAARN COc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012785450 221231498 /nfs/dbraw/zinc/23/14/98/221231498.db2.gz PXWOEPFQTABCKO-KSFYIVLOSA-N 0 0 398.503 4.614 50 0 GJAARN Cc1nc(COc2cccc(C(=O)N3CCCc4ccc(F)cc43)c2)cs1 ZINC000040117284 132397224 /nfs/dbraw/zinc/39/72/24/132397224.db2.gz WHSUMGQEGMIION-UHFFFAOYSA-N 0 0 382.460 4.763 50 0 GJAARN FC(F)(F)c1cccc(N2CCN(Cc3cc(-c4cccs4)on3)CC2)c1 ZINC000057978272 136154177 /nfs/dbraw/zinc/15/41/77/136154177.db2.gz QQSMONWUAHVATJ-UHFFFAOYSA-N 0 0 393.434 4.744 50 0 GJAARN Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(CC(C)C)cc3)CC2)c1 ZINC000058804048 136155679 /nfs/dbraw/zinc/15/56/79/136155679.db2.gz AKAMABXZPKWRDS-UHFFFAOYSA-N 0 0 392.543 4.505 50 0 GJAARN O=C(C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)N1CCCCC1 ZINC000064663748 136157328 /nfs/dbraw/zinc/15/73/28/136157328.db2.gz NLYRFJIUPCWXSO-IBGZPJMESA-N 0 0 384.907 4.510 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000065025006 136158815 /nfs/dbraw/zinc/15/88/15/136158815.db2.gz ZJYZQSNFYXQUNQ-UHFFFAOYSA-N 0 0 390.418 4.758 50 0 GJAARN O=C(c1cnc2ccc(F)cc2c1N1CCc2ccccc2C1)N1CCCCC1 ZINC000067288125 136164634 /nfs/dbraw/zinc/16/46/34/136164634.db2.gz JDNSKNUTQRKISZ-UHFFFAOYSA-N 0 0 389.474 4.563 50 0 GJAARN Cc1cc(N2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)nc2ccccc12 ZINC000077438047 136172140 /nfs/dbraw/zinc/17/21/40/136172140.db2.gz YQVVEIRLTIXYAT-UHFFFAOYSA-N 0 0 385.511 4.562 50 0 GJAARN O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H](n2cccn2)Cc2ccccc21 ZINC000078949724 136172804 /nfs/dbraw/zinc/17/28/04/136172804.db2.gz TUEGQASTBUIMGG-QHCPKHFHSA-N 0 0 393.490 4.846 50 0 GJAARN Cc1cccc(N2C[C@H](C)N(C(=O)c3cccc(-c4ccccc4)c3)CC2=O)c1 ZINC000082096261 136173400 /nfs/dbraw/zinc/17/34/00/136173400.db2.gz MIFIOVJNFHYVJR-IBGZPJMESA-N 0 0 384.479 4.540 50 0 GJAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 ZINC000084686990 136175180 /nfs/dbraw/zinc/17/51/80/136175180.db2.gz KASVQNJSKACMET-BLLLJJGKSA-N 0 0 386.904 4.687 50 0 GJAARN COc1ccncc1NC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000089484100 136175537 /nfs/dbraw/zinc/17/55/37/136175537.db2.gz GJKFNFDPSKJQTD-UHFFFAOYSA-N 0 0 377.469 4.722 50 0 GJAARN Fc1ccc2ccnc(N3CCO[C@@H](c4ccc(Br)cc4)C3)c2c1 ZINC000089780932 136175728 /nfs/dbraw/zinc/17/57/28/136175728.db2.gz YRMAHTUNPUKBTO-GOSISDBHSA-N 0 0 387.252 4.714 50 0 GJAARN O=C(c1cncnc1-c1ccccc1)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000095462476 136179456 /nfs/dbraw/zinc/17/94/56/136179456.db2.gz NJHOZIJWDCHLTE-UHFFFAOYSA-N 0 0 399.372 4.635 50 0 GJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)Nc4cccc(C)c4)CC3)n2)cc1 ZINC000096323138 136186582 /nfs/dbraw/zinc/18/65/82/136186582.db2.gz FFTNKKZBCJUZCG-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2ccc(C)cc2)C1=O ZINC000100802016 136189348 /nfs/dbraw/zinc/18/93/48/136189348.db2.gz DFVBEJMHEHPYFY-HMMYKYKNSA-N 0 0 384.435 4.644 50 0 GJAARN Cc1cc(C)c(NC=C2c3ccccc3C(=O)N(c3ccccn3)C2=O)c(C)c1 ZINC000103005051 136196594 /nfs/dbraw/zinc/19/65/94/136196594.db2.gz NRFOKGNLNNAIPY-XSFVSMFZSA-N 0 0 383.451 4.647 50 0 GJAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)c2c1 ZINC000012437815 136200332 /nfs/dbraw/zinc/20/03/32/136200332.db2.gz JZBHOSXQCSDXJD-UHFFFAOYSA-N 0 0 380.513 4.612 50 0 GJAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)N1CCCc2ccccc21 ZINC000019298277 136202371 /nfs/dbraw/zinc/20/23/71/136202371.db2.gz WWHMDQDQNJIVKH-CQSZACIVSA-N 0 0 381.476 4.676 50 0 GJAARN Cc1cc(C)n(CCN(C(=O)c2cccs2)c2nc3ccccc3s2)n1 ZINC000035597604 221828959 /nfs/dbraw/zinc/82/89/59/221828959.db2.gz POJKADIOFLROND-UHFFFAOYSA-N 0 0 382.514 4.518 50 0 GJAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3cc(F)ccc3F)c12 ZINC000036615799 221861574 /nfs/dbraw/zinc/86/15/74/221861574.db2.gz HNHYCRJOZQHDAC-UHFFFAOYSA-N 0 0 392.409 4.627 50 0 GJAARN COc1ccc(C2=CCN(C(=O)c3cc(F)ccc3Br)CC2)cc1 ZINC000040119713 221907778 /nfs/dbraw/zinc/90/77/78/221907778.db2.gz COLXMILBHGIOPE-UHFFFAOYSA-N 0 0 390.252 4.526 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(C)c3C)c3ccccc3n2)cc1 ZINC000040162099 221916935 /nfs/dbraw/zinc/91/69/35/221916935.db2.gz KMZRNNSPAASLLV-UHFFFAOYSA-N 0 0 386.455 4.513 50 0 GJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(OCC)cc1 ZINC000064690511 222079445 /nfs/dbraw/zinc/07/94/45/222079445.db2.gz 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CCCNC(=O)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1 ZINC000034711892 570303401 /nfs/dbraw/zinc/30/34/01/570303401.db2.gz VNQSXTXKBRLSJS-UHFFFAOYSA-N 0 0 388.439 4.807 50 0 GJAARN COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1ccccc1 ZINC000034712298 570303424 /nfs/dbraw/zinc/30/34/24/570303424.db2.gz IKQQDMKDBDSQFE-UHFFFAOYSA-N 0 0 394.496 4.634 50 0 GJAARN CCCOc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)c(Cl)c1 ZINC000034713148 570303761 /nfs/dbraw/zinc/30/37/61/570303761.db2.gz ZQEYDNSXTNNRRW-UHFFFAOYSA-N 0 0 387.892 4.577 50 0 GJAARN CCNC(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2F)n1 ZINC000034713397 570303823 /nfs/dbraw/zinc/30/38/23/570303823.db2.gz FRONIHMESWYOFL-UHFFFAOYSA-N 0 0 392.402 4.556 50 0 GJAARN COC(=O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000022063925 570303964 /nfs/dbraw/zinc/30/39/64/570303964.db2.gz FSUWVSSCCGVYLS-UHFFFAOYSA-N 0 0 396.490 4.829 50 0 in-vitro GJAARN COc1ccc(N(C=O)[C@@H](C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000000722038 570304555 /nfs/dbraw/zinc/30/45/55/570304555.db2.gz 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/nfs/dbraw/zinc/31/19/54/570311954.db2.gz YWUYOARTPQYIGP-UHFFFAOYSA-N 0 0 394.515 4.502 50 0 GJAARN CC1CCN(Cc2csc(NC(=O)CCc3ccccc3Cl)n2)CC1 ZINC000022292330 570312431 /nfs/dbraw/zinc/31/24/31/570312431.db2.gz MVUSPQOQIWLYDY-UHFFFAOYSA-N 0 0 377.941 4.600 50 0 GJAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000022324005 570313041 /nfs/dbraw/zinc/31/30/41/570313041.db2.gz ZCKIVOKNRJSTMB-UHFFFAOYSA-N 0 0 380.444 4.699 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)CCCc2ccccc2)cc1 ZINC000002875882 570314872 /nfs/dbraw/zinc/31/48/72/570314872.db2.gz QLPMLLUPNOKMIW-UHFFFAOYSA-N 0 0 388.467 4.909 50 0 GJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCC12CC3CC(CC(C3)C1)C2 ZINC000012943138 570316092 /nfs/dbraw/zinc/31/60/92/570316092.db2.gz PQMCOLUETSSDET-UHFFFAOYSA-N 0 0 399.922 4.655 50 0 GJAARN CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000022409314 570316290 /nfs/dbraw/zinc/31/62/90/570316290.db2.gz YMAGGINJSWLMBN-UYAOXDASSA-N 0 0 381.520 4.831 50 0 GJAARN CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000022409311 570316431 /nfs/dbraw/zinc/31/64/31/570316431.db2.gz YMAGGINJSWLMBN-AZUAARDMSA-N 0 0 381.520 4.831 50 0 GJAARN CSCc1c2ccccc2oc1C(=O)Nc1ccccc1N1CCCC1=O ZINC000016105725 570316479 /nfs/dbraw/zinc/31/64/79/570316479.db2.gz HVTIMHVKYFIHPX-UHFFFAOYSA-N 0 0 380.469 4.675 50 0 GJAARN C[C@H](CCc1ccccc1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000021894883 570316949 /nfs/dbraw/zinc/31/69/49/570316949.db2.gz CEVQLEWWUPEYEB-LJQANCHMSA-N 0 0 396.494 4.685 50 0 GJAARN O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1Cl ZINC000016129571 570317766 /nfs/dbraw/zinc/31/77/66/570317766.db2.gz ZYWPTMPVWBEONW-UHFFFAOYSA-N 0 0 399.068 4.696 50 0 GJAARN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000002902185 570317783 /nfs/dbraw/zinc/31/77/83/570317783.db2.gz WDOYPILSTJJAGX-UHFFFAOYSA-N 0 0 394.468 4.755 50 0 GJAARN Cc1ccccc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000010843961 570318680 /nfs/dbraw/zinc/31/86/80/570318680.db2.gz DLWQYOUJKKPSJC-UHFFFAOYSA-N 0 0 377.410 4.665 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCc4ccccc43)c2n1 ZINC000012951923 570318957 /nfs/dbraw/zinc/31/89/57/570318957.db2.gz IEUIISFXGZWNDI-UHFFFAOYSA-N 0 0 387.266 4.818 50 0 GJAARN COc1cccc(-c2nc(C(=O)N[C@@H](c3ccccc3)C3CC3)cs2)c1OC ZINC000024865318 570319202 /nfs/dbraw/zinc/31/92/02/570319202.db2.gz IHMRHMIOOMWSDQ-IBGZPJMESA-N 0 0 394.496 4.708 50 0 GJAARN Cc1cc(Nc2ccc(N(C)C)cc2)n2nc(-c3ccc(Cl)cc3)nc2n1 ZINC000014610320 570319777 /nfs/dbraw/zinc/31/97/77/570319777.db2.gz FRVPBQYNTQNFEC-UHFFFAOYSA-N 0 0 378.867 4.563 50 0 GJAARN COc1cccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)c1 ZINC000575473067 570320062 /nfs/dbraw/zinc/32/00/62/570320062.db2.gz CCIACLPIRNOEKC-CQSZACIVSA-N 0 0 391.467 4.755 50 0 GJAARN O=C(NCC1CC1)c1csc(-c2cccc(OCc3cccc(F)c3)c2)n1 ZINC000034717413 570320465 /nfs/dbraw/zinc/32/04/65/570320465.db2.gz CAORBEWHKMCWAW-UHFFFAOYSA-N 0 0 382.460 4.668 50 0 GJAARN COc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)c1 ZINC000023335182 570321740 /nfs/dbraw/zinc/32/17/40/570321740.db2.gz ZPOCKIFOWIOVEF-UHFFFAOYSA-N 0 0 383.451 4.682 50 0 GJAARN COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC ZINC000002983167 570322701 /nfs/dbraw/zinc/32/27/01/570322701.db2.gz GEHBBAUSCGBYOG-UHFFFAOYSA-N 0 0 384.259 4.808 50 0 GJAARN COc1cc(C=O)ccc1OCCOCCOc1c(C)cc(Cl)cc1Cl ZINC000002991340 570324049 /nfs/dbraw/zinc/32/40/49/570324049.db2.gz XISAXEMYFQRORE-UHFFFAOYSA-N 0 0 399.270 4.597 50 0 aggregator GJAARN COc1cccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c1OC ZINC000023445113 570324343 /nfs/dbraw/zinc/32/43/43/570324343.db2.gz DNOKVMIHGPOPAA-UHFFFAOYSA-N 0 0 375.380 4.908 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nncn1-c1cccc(OC)c1 ZINC000004843764 570326841 /nfs/dbraw/zinc/32/68/41/570326841.db2.gz DZPKHTHPAIUITQ-OAHLLOKOSA-N 0 0 396.516 4.520 50 0 GJAARN Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c(NC(=O)C(C)C)c1 ZINC000034736008 570328440 /nfs/dbraw/zinc/32/84/40/570328440.db2.gz IIJAQCMADBIQOD-UHFFFAOYSA-N 0 0 383.467 4.561 50 0 GJAARN CC(C)c1ccc(CN2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000022802674 570329301 /nfs/dbraw/zinc/32/93/01/570329301.db2.gz MCMBNVLGFJEKHO-QGZVFWFLSA-N 0 0 396.560 4.800 50 0 GJAARN O=C(CCN1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000022875278 570332541 /nfs/dbraw/zinc/33/25/41/570332541.db2.gz LNLSMCXSDQPXEF-UHFFFAOYSA-N 0 0 384.523 4.744 50 0 GJAARN COc1c(C)cc(-c2ccc3nc(C(=O)NCCc4ccccc4)cn3c2)cc1C ZINC000034831167 570335445 /nfs/dbraw/zinc/33/54/45/570335445.db2.gz SESFJXRXSGKRGC-UHFFFAOYSA-N 0 0 399.494 4.599 50 0 GJAARN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000022927598 570336112 /nfs/dbraw/zinc/33/61/12/570336112.db2.gz OQGMMIBCWSZUAJ-OAQYLSRUSA-N 0 0 382.916 4.874 50 0 GJAARN CCc1[nH]nc(-c2ccc(Cl)cc2)c1NC(=O)c1cc(OC)cc(OC)c1 ZINC000034794290 570337058 /nfs/dbraw/zinc/33/70/58/570337058.db2.gz ZKEILWJXRIQYTG-UHFFFAOYSA-N 0 0 385.851 4.562 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2)c(OC)c1 ZINC000034796070 570337912 /nfs/dbraw/zinc/33/79/12/570337912.db2.gz CPHQXSQRZBZLIP-UHFFFAOYSA-N 0 0 379.460 4.545 50 0 GJAARN Cc1cc(C)n([C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccsc2)n1 ZINC000575613516 570338930 /nfs/dbraw/zinc/33/89/30/570338930.db2.gz IHNHCFLVTAUENQ-KRWDZBQOSA-N 0 0 393.434 4.600 50 0 GJAARN CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1 ZINC000034906539 570339096 /nfs/dbraw/zinc/33/90/96/570339096.db2.gz KUCQMQJZLSMLMR-QUCCMNQESA-N 0 0 396.579 4.748 50 0 GJAARN CCc1nc(COC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cs1 ZINC000022988250 570339567 /nfs/dbraw/zinc/33/95/67/570339567.db2.gz NEWREMMDRJIHDR-UHFFFAOYSA-N 0 0 378.906 4.768 50 0 GJAARN CCCCn1nc(C)c(C(=O)NCCSCc2ccc(C)cc2)c1Cl ZINC000023951493 570340002 /nfs/dbraw/zinc/34/00/02/570340002.db2.gz HUNNWROHPJQHAW-UHFFFAOYSA-N 0 0 379.957 4.617 50 0 GJAARN Cc1nc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)nn1-c1ccccc1C ZINC000034910552 570340361 /nfs/dbraw/zinc/34/03/61/570340361.db2.gz RZAVZYSEPHBYBL-JOCHJYFZSA-N 0 0 396.494 4.598 50 0 GJAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H]1Cc2ccccc2S1 ZINC000023074323 570342665 /nfs/dbraw/zinc/34/26/65/570342665.db2.gz MEQFOPNMVSFVOR-HNNXBMFYSA-N 0 0 387.810 4.937 50 0 GJAARN CCn1nc(C(=O)Nc2cccc(OC)c2)cc1-c1cccc(C(F)(F)F)c1 ZINC000034901463 570343557 /nfs/dbraw/zinc/34/35/57/570343557.db2.gz YVAUELFPXKOMQF-UHFFFAOYSA-N 0 0 389.377 4.850 50 0 GJAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)n2)cc1 ZINC000035375805 570345771 /nfs/dbraw/zinc/34/57/71/570345771.db2.gz VFPNWESENXGTNN-UHFFFAOYSA-N 0 0 386.455 4.546 50 0 GJAARN CCOC(=O)c1cccc(Nc2c(-c3c[nH]c4ccccc43)nc3cnccn32)c1 ZINC000035373570 570346164 /nfs/dbraw/zinc/34/61/64/570346164.db2.gz ALBNSZUDAUQLNF-UHFFFAOYSA-N 0 0 397.438 4.798 50 0 GJAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)c1ccccc1F ZINC000034912663 570346147 /nfs/dbraw/zinc/34/61/47/570346147.db2.gz KBESPNKDPTXPOG-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)COCc2ccccc2)cc1 ZINC000034912893 570346469 /nfs/dbraw/zinc/34/64/69/570346469.db2.gz ZFUKEXQPBYFDQX-UHFFFAOYSA-N 0 0 385.467 4.773 50 0 GJAARN CCOc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000006249838 570348279 /nfs/dbraw/zinc/34/82/79/570348279.db2.gz CZCWHOAPRNYMHC-UHFFFAOYSA-N 0 0 382.382 4.553 50 0 GJAARN COc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004857437 570349573 /nfs/dbraw/zinc/34/95/73/570349573.db2.gz IYTXMKHNQQHTTJ-LADGPHEKSA-N 0 0 386.451 4.946 50 0 GJAARN COc1ccc2c(c1)NC1(CCN(C(=O)CCC3CCCC3)CC1)c1cccn1-2 ZINC000035399512 570350474 /nfs/dbraw/zinc/35/04/74/570350474.db2.gz XZXFSCLKPSDQJD-UHFFFAOYSA-N 0 0 393.531 4.700 50 0 biogenic GJAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1cccc(F)c1 ZINC000035400601 570350716 /nfs/dbraw/zinc/35/07/16/570350716.db2.gz KCFCNXGQBSLQEY-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN COC(=O)CCS[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCc2ccccc21 ZINC000023234592 570351639 /nfs/dbraw/zinc/35/16/39/570351639.db2.gz LYOYVIFVFMGDFZ-DENIHFKCSA-N 0 0 381.497 4.515 50 0 GJAARN Cc1nn(CCNC(=O)c2ccccc2SC(F)F)c(C)c1-c1ccco1 ZINC000575615600 570354068 /nfs/dbraw/zinc/35/40/68/570354068.db2.gz RCZRPWUQMOCEPQ-UHFFFAOYSA-N 0 0 391.443 4.505 50 0 GJAARN CCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2F)c1 ZINC000023330969 570354986 /nfs/dbraw/zinc/35/49/86/570354986.db2.gz BIBQVBPCXHTTRP-UHFFFAOYSA-N 0 0 395.434 4.594 50 0 GJAARN CCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004070908 570356556 /nfs/dbraw/zinc/35/65/56/570356556.db2.gz MSRXUNNDBUWNII-HUUFRCNWSA-N 0 0 396.575 4.698 50 0 GJAARN CCCSCCCNC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429831 570358036 /nfs/dbraw/zinc/35/80/36/570358036.db2.gz WABOCWVHZSCFOW-UHFFFAOYSA-N 0 0 394.544 4.945 50 0 GJAARN O=C(NC1(c2cccs2)CCOCC1)C1c2ccccc2Oc2ccccc21 ZINC000390828110 570359686 /nfs/dbraw/zinc/35/96/86/570359686.db2.gz OVRFWGQDLRIMGF-UHFFFAOYSA-N 0 0 391.492 4.808 50 0 GJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2OC)cc1OCC ZINC000006288940 570362331 /nfs/dbraw/zinc/36/23/31/570362331.db2.gz CNXVVDLLHOMBTR-UHFFFAOYSA-N 0 0 393.867 4.797 50 0 GJAARN c1[nH]c2ccccc2c1CCc1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1 ZINC000035453178 570362982 /nfs/dbraw/zinc/36/29/82/570362982.db2.gz JWMZFDPEKOVCGJ-UHFFFAOYSA-N 0 0 398.470 4.863 50 0 GJAARN CCOCCCNC(=O)c1cc(Nc2ccc(CC)cc2)nc2ccccc21 ZINC000004910503 570363093 /nfs/dbraw/zinc/36/30/93/570363093.db2.gz CVWACCZDSDIHTM-UHFFFAOYSA-N 0 0 377.488 4.697 50 0 GJAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1CCCCCC1 ZINC000008174473 570364227 /nfs/dbraw/zinc/36/42/27/570364227.db2.gz VPJDLURSSPZUQN-LBPRGKRZSA-N 0 0 383.439 4.532 50 0 GJAARN Cc1ccccc1C(=O)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1 ZINC000035461076 570364736 /nfs/dbraw/zinc/36/47/36/570364736.db2.gz ZRGFQEFPGWMIBX-UHFFFAOYSA-N 0 0 395.422 4.631 50 0 GJAARN C[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000008239153 570364774 /nfs/dbraw/zinc/36/47/74/570364774.db2.gz ZMRFNNXFXCWNIF-OLZOCXBDSA-N 0 0 388.261 4.840 50 0 GJAARN Cc1ccccc1C(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1 ZINC000035460942 570364835 /nfs/dbraw/zinc/36/48/35/570364835.db2.gz 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ZINC000005136259 570424672 /nfs/dbraw/zinc/42/46/72/570424672.db2.gz FQQDJDVYPIYXJS-UHFFFAOYSA-N 0 0 394.471 4.661 50 0 GJAARN Cc1cc(I)cc(C)c1NC(=O)CSc1ccccc1 ZINC000005041865 570425623 /nfs/dbraw/zinc/42/56/23/570425623.db2.gz PLRPPFVYZGMNRJ-UHFFFAOYSA-N 0 0 397.281 4.639 50 0 GJAARN CCOc1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc1 ZINC000005046919 570425969 /nfs/dbraw/zinc/42/59/69/570425969.db2.gz HPJJWKDYZNBOIN-UHFFFAOYSA-N 0 0 386.480 4.855 50 0 GJAARN O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000026456159 570425985 /nfs/dbraw/zinc/42/59/85/570425985.db2.gz XOLITFQXOZHQTR-UHFFFAOYSA-N 0 0 376.641 4.745 50 0 GJAARN CSc1cccc(NC(=O)[C@H](C)n2c(=S)[nH]nc2-c2cccs2)c1 ZINC000064334825 570426779 /nfs/dbraw/zinc/42/67/79/570426779.db2.gz YGPPABAWZTXSFD-JTQLQIEISA-N 0 0 376.532 4.591 50 0 GJAARN CCOc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000005146679 570427082 /nfs/dbraw/zinc/42/70/82/570427082.db2.gz KLEXAZFEWPOGID-UHFFFAOYSA-N 0 0 377.469 4.643 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000005069045 570428113 /nfs/dbraw/zinc/42/81/13/570428113.db2.gz FGGMNDOWIJXALV-UHFFFAOYSA-N 0 0 392.455 4.981 50 0 GJAARN CCc1cccc(CC)c1-n1c(N)c(C(=O)N2CCCCCC2)sc1=S ZINC000032952348 570429232 /nfs/dbraw/zinc/42/92/32/570429232.db2.gz JRGXBQYGQDLXCB-UHFFFAOYSA-N 0 0 389.590 4.991 50 0 GJAARN C[C@@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 ZINC000239338709 570429362 /nfs/dbraw/zinc/42/93/62/570429362.db2.gz KZUDQFQQDYTJBX-DVECYGJZSA-N 0 0 387.527 4.706 50 0 GJAARN CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nc2ccccc2s1 ZINC000026907927 570429842 /nfs/dbraw/zinc/42/98/42/570429842.db2.gz SBHDJUNDJNBTGX-UHFFFAOYSA-N 0 0 390.512 4.694 50 0 GJAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cccc(Br)c1 ZINC000005127535 570430062 /nfs/dbraw/zinc/43/00/62/570430062.db2.gz FZMSJWQNSUOIOV-XYOKQWHBSA-N 0 0 387.664 4.757 50 0 GJAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12 ZINC000026927813 570430242 /nfs/dbraw/zinc/43/02/42/570430242.db2.gz WWBCMCBOUHKGEK-CYBMUJFWSA-N 0 0 388.496 4.597 50 0 GJAARN CCc1nc2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2nc1CC ZINC000026961502 570430293 /nfs/dbraw/zinc/43/02/93/570430293.db2.gz UEKRVRRJJLQAHR-UHFFFAOYSA-N 0 0 376.485 4.641 50 0 GJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc2c(cc1Cl)OCCCO2 ZINC000026982379 570430512 /nfs/dbraw/zinc/43/05/12/570430512.db2.gz ZUMJGNRPIFHSSL-UHFFFAOYSA-N 0 0 397.858 4.917 50 0 GJAARN O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000027016295 570430835 /nfs/dbraw/zinc/43/08/35/570430835.db2.gz CETLDIVUOHMAQE-CQSZACIVSA-N 0 0 384.134 4.642 50 0 GJAARN COc1ccccc1CNC(=O)c1c2ccccc2nnc1-c1ccc(C)cc1 ZINC000032952879 570431308 /nfs/dbraw/zinc/43/13/08/570431308.db2.gz UYYFUXXZGHTOFH-UHFFFAOYSA-N 0 0 383.451 4.544 50 0 GJAARN O=C(CSc1ccncc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000027060066 570431338 /nfs/dbraw/zinc/43/13/38/570431338.db2.gz DNDCVWYVWTVPEJ-RZDLDHBLSA-N 0 0 386.520 4.587 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)C(C)(C)C)CC2 ZINC000022652743 570431795 /nfs/dbraw/zinc/43/17/95/570431795.db2.gz KYKKQBDFOYIWMS-HXUWFJFHSA-N 0 0 387.907 4.877 50 0 GJAARN COc1ccc(N=c2sc3ccccc3nc2Nc2ccc(OC)cc2)cc1 ZINC000242495807 570432758 /nfs/dbraw/zinc/43/27/58/570432758.db2.gz GQYHAGLIXVIRBE-UHFFFAOYSA-N 0 0 389.480 4.711 50 0 GJAARN COc1cccc(N=C2NN=C(c3cc(C)n(Cc4ccco4)c3C)CS2)c1 ZINC000005156926 570437405 /nfs/dbraw/zinc/43/74/05/570437405.db2.gz RGUAUHRBSMVILP-UHFFFAOYSA-N 0 0 394.500 4.674 50 0 GJAARN O=C(c1ccccc1F)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000005423322 570438753 /nfs/dbraw/zinc/43/87/53/570438753.db2.gz DJVBDWNPKHBBIM-UHFFFAOYSA-N 0 0 379.435 4.851 50 0 GJAARN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@H]1c1ccsc1 ZINC000248086013 570439096 /nfs/dbraw/zinc/43/90/96/570439096.db2.gz DOHSKNGACPBCAY-YOEHRIQHSA-N 0 0 385.558 4.542 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1c1cccn1C ZINC000248093794 570439358 /nfs/dbraw/zinc/43/93/58/570439358.db2.gz CQPDJPZKKZTSOW-MBSDFSHPSA-N 0 0 389.499 4.982 50 0 GJAARN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)cc1Cl ZINC000011866538 570441376 /nfs/dbraw/zinc/44/13/76/570441376.db2.gz VKKDQZWCZKPGBU-UHFFFAOYSA-N 0 0 389.234 4.850 50 0 GJAARN CCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(C)(C)C ZINC000035764654 570443340 /nfs/dbraw/zinc/44/33/40/570443340.db2.gz VVHALZMIEJKAME-UHFFFAOYSA-N 0 0 384.520 4.544 50 0 GJAARN CC(C)c1noc([C@@H](C)Sc2nccn2-c2ccc(Br)cc2)n1 ZINC000027811010 570443555 /nfs/dbraw/zinc/44/35/55/570443555.db2.gz YXUVFGUCYIUTSI-LLVKDONJSA-N 0 0 393.310 4.995 50 0 GJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000005541039 570444662 /nfs/dbraw/zinc/44/46/62/570444662.db2.gz PENMLYDAGXHMAS-XUZZJYLKSA-N 0 0 386.426 4.887 50 0 GJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCO[C@@H](c2ccccc2)C1 ZINC000027908991 570444698 /nfs/dbraw/zinc/44/46/98/570444698.db2.gz HSGPJUNMNIHSPU-XMMPIXPASA-N 0 0 395.462 4.511 50 0 GJAARN CCc1cc(=O)oc2cc(OCc3cc4c(cc3Cl)OCO4)c(Cl)cc12 ZINC000005548230 570445216 /nfs/dbraw/zinc/44/52/16/570445216.db2.gz GNNWEIKIRLNYRR-UHFFFAOYSA-N 0 0 393.222 4.970 50 0 GJAARN CCCOc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000027990181 570448334 /nfs/dbraw/zinc/44/83/34/570448334.db2.gz IBVMLYFNMRCKJR-UHFFFAOYSA-N 0 0 380.513 4.880 50 0 GJAARN Cc1ccc2nc(N=NCc3ccc4nccnc4c3)nc(-c3ccccc3)c2c1 ZINC000252458639 570448610 /nfs/dbraw/zinc/44/86/10/570448610.db2.gz YOCZGKHFYVFGFY-UHFFFAOYSA-N 0 0 390.450 4.994 50 0 GJAARN Cc1cc(OCC(=O)NCCc2csc(-c3ccccc3)n2)ccc1Cl ZINC000027993516 570448674 /nfs/dbraw/zinc/44/86/74/570448674.db2.gz PNGQBEGBZUUFPF-UHFFFAOYSA-N 0 0 386.904 4.510 50 0 GJAARN CCCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000027994587 570449093 /nfs/dbraw/zinc/44/90/93/570449093.db2.gz BOVKKOOJPFKYPK-UHFFFAOYSA-N 0 0 396.512 4.580 50 0 GJAARN CCOC(=O)c1ccc(CSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000001924366 570450112 /nfs/dbraw/zinc/45/01/12/570450112.db2.gz DLBAOQMMLLTQTN-UHFFFAOYSA-N 0 0 377.469 4.660 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cccc3cccnc32)cc1OC ZINC000043529347 570450400 /nfs/dbraw/zinc/45/04/00/570450400.db2.gz ISCZWEMVHMQGQU-GOSISDBHSA-N 0 0 377.444 4.621 50 0 GJAARN Cc1cccc(-c2nnc(S[C@@H]3CCCCCC3=O)n2Cc2ccco2)c1 ZINC000028189210 570451979 /nfs/dbraw/zinc/45/19/79/570451979.db2.gz MSSJSJCIANHEKY-LJQANCHMSA-N 0 0 381.501 4.889 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000003517105 570453436 /nfs/dbraw/zinc/45/34/36/570453436.db2.gz AIPPXLBYUXTGHY-UHFFFAOYSA-N 0 0 377.396 4.864 50 0 biogenic GJAARN COc1ccc(C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000005750599 570455507 /nfs/dbraw/zinc/45/55/07/570455507.db2.gz MGWHVJAQYNHUJC-UHFFFAOYSA-N 0 0 398.267 4.626 50 0 GJAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccccn2)CC1 ZINC000016638069 570456798 /nfs/dbraw/zinc/45/67/98/570456798.db2.gz XLPFMEIKPBCSRS-UHFFFAOYSA-N 0 0 392.311 4.566 50 0 GJAARN C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028293723 570457475 /nfs/dbraw/zinc/45/74/75/570457475.db2.gz OKVMSRJFPQZWQR-OAHLLOKOSA-N 0 0 384.838 4.875 50 0 GJAARN O=C(Nc1cccc(N2CCOC2=O)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000072273996 570458053 /nfs/dbraw/zinc/45/80/53/570458053.db2.gz DQNCZBSXXHJQGV-OAQYLSRUSA-N 0 0 391.471 4.717 50 0 GJAARN Cc1c(Cl)cccc1NC(=S)Nc1ccccc1C(=O)NCc1ccco1 ZINC000006507992 570460509 /nfs/dbraw/zinc/46/05/09/570460509.db2.gz LTMGWCDYFLJMCR-UHFFFAOYSA-N 0 0 399.903 4.980 50 0 GJAARN Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c(Cl)c1 ZINC000032958387 570460592 /nfs/dbraw/zinc/46/05/92/570460592.db2.gz PCUSAFYXYDWKNS-UHFFFAOYSA-N 0 0 380.879 4.834 50 0 GJAARN COc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)cc1Cl ZINC000032958371 570460629 /nfs/dbraw/zinc/46/06/29/570460629.db2.gz OESAODFTZUSVRY-UHFFFAOYSA-N 0 0 396.878 4.534 50 0 GJAARN Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c(Br)n1 ZINC000128118473 570460947 /nfs/dbraw/zinc/46/09/47/570460947.db2.gz MEEQTSNAZWHRDF-UHFFFAOYSA-N 0 0 392.640 4.713 50 0 GJAARN Cc1cccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)no2)c1 ZINC000028580721 570461729 /nfs/dbraw/zinc/46/17/29/570461729.db2.gz RCCSIYGSKAXOEG-OAHLLOKOSA-N 0 0 379.460 4.749 50 0 GJAARN Cc1ccc(NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1Cl ZINC000072277779 570462527 /nfs/dbraw/zinc/46/25/27/570462527.db2.gz GRMOKBINKRXOCW-KRWDZBQOSA-N 0 0 392.286 4.571 50 0 GJAARN Cc1c(NC(=O)c2cc3ccccc3nc2N2CCCC2)cnn1-c1ccccc1 ZINC000129323753 570463024 /nfs/dbraw/zinc/46/30/24/570463024.db2.gz RSSVAACMAQXUCY-UHFFFAOYSA-N 0 0 397.482 4.581 50 0 GJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1SC[C@@H]1CCCO1 ZINC000028718066 570463557 /nfs/dbraw/zinc/46/35/57/570463557.db2.gz WSZLWRIUCKJUHY-HNNXBMFYSA-N 0 0 397.525 4.729 50 0 GJAARN COc1ccc(/C=C2\SC(=S)N(CNc3cc(C)ccc3C)C2=O)cc1 ZINC000002067879 570465490 /nfs/dbraw/zinc/46/54/90/570465490.db2.gz UAHSRSLCVCDYGM-WQRHYEAKSA-N 0 0 384.526 4.583 50 0 GJAARN O=C(Nc1cccs1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000042380432 570466233 /nfs/dbraw/zinc/46/62/33/570466233.db2.gz XPBHDZLEVUKFJL-GFCCVEGCSA-N 0 0 388.493 4.817 50 0 GJAARN COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)cc2-c2cccnc2)cc1 ZINC000064472882 570467143 /nfs/dbraw/zinc/46/71/43/570467143.db2.gz PYQBBZZYJJOXSQ-UHFFFAOYSA-N 0 0 398.466 4.812 50 0 GJAARN CCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)c(OC)c1 ZINC000035888769 570472338 /nfs/dbraw/zinc/47/23/38/570472338.db2.gz GYFGJMRIRHSERZ-LJQANCHMSA-N 0 0 394.515 4.796 50 0 GJAARN CCc1ccc([C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)c2cccs2)cc1 ZINC000029429149 570473737 /nfs/dbraw/zinc/47/37/37/570473737.db2.gz VUUGYXMWXJTTHV-OAQYLSRUSA-N 0 0 388.492 4.671 50 0 GJAARN CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000029506806 570475145 /nfs/dbraw/zinc/47/51/45/570475145.db2.gz GBQKGKWOTHXCKP-UHFFFAOYSA-N 0 0 391.540 4.896 50 0 GJAARN COc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)cs2)cc1 ZINC000029611925 570476615 /nfs/dbraw/zinc/47/66/15/570476615.db2.gz NLVUFCMIZUXULM-UONOGXRCSA-N 0 0 384.423 4.670 50 0 GJAARN Cc1nc2scc(-c3cccs3)c2c(NC[C@H](CO)Cc2ccco2)n1 ZINC000024206168 570476632 /nfs/dbraw/zinc/47/66/32/570476632.db2.gz SZGPIZLATSKWLS-CYBMUJFWSA-N 0 0 385.514 4.584 50 0 GJAARN COc1ccc(OC)c(-c2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)c1 ZINC000006558415 570476929 /nfs/dbraw/zinc/47/69/29/570476929.db2.gz YZFDNJCEDDQIMM-CQSZACIVSA-N 0 0 382.485 4.960 50 0 GJAARN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 ZINC000072288652 570479016 /nfs/dbraw/zinc/47/90/16/570479016.db2.gz RMZAGEMCSYZIJY-IBGZPJMESA-N 0 0 399.853 4.612 50 0 GJAARN COc1ccc(Nc2ccccc2NC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006578397 570480914 /nfs/dbraw/zinc/48/09/14/570480914.db2.gz SYPZZHDGGCTHMH-UHFFFAOYSA-N 0 0 375.428 4.650 50 0 GJAARN Cc1cc(SCCS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12 ZINC000029871459 570482074 /nfs/dbraw/zinc/48/20/74/570482074.db2.gz HPXOSIBLLXGDBY-UHFFFAOYSA-N 0 0 377.918 4.763 50 0 GJAARN O=C(CCCOc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000006587526 570484350 /nfs/dbraw/zinc/48/43/50/570484350.db2.gz RMKRBXDMENNNHP-SFHVURJKSA-N 0 0 396.512 4.668 50 0 GJAARN CC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)C(C)C ZINC000035972058 570490467 /nfs/dbraw/zinc/49/04/67/570490467.db2.gz QSIKVPYZOIHIBL-UHFFFAOYSA-N 0 0 384.568 4.702 50 0 GJAARN Cc1nnc2ccc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000005168896 570490594 /nfs/dbraw/zinc/49/05/94/570490594.db2.gz VLUMFQWMBBHMLN-UHFFFAOYSA-N 0 0 385.471 4.650 50 0 GJAARN C[C@H](Sc1nc2sccc2c(=O)n1C)c1nc2ccccc2n1C(F)F ZINC000030546083 570490871 /nfs/dbraw/zinc/49/08/71/570490871.db2.gz RLYVZRDXFYPYML-VIFPVBQESA-N 0 0 392.456 4.593 50 0 GJAARN CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@@](C)(c1ccc(F)cc1)O3 ZINC000006751184 570491979 /nfs/dbraw/zinc/49/19/79/570491979.db2.gz UZJVKRMOCNLITA-QFIPXVFZSA-N 0 0 382.387 4.938 50 0 GJAARN Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 ZINC000006759374 570492455 /nfs/dbraw/zinc/49/24/55/570492455.db2.gz HKGFYEXNNFEUQS-HOCLYGCPSA-N 0 0 390.365 4.697 50 0 GJAARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 ZINC000006819404 570495416 /nfs/dbraw/zinc/49/54/16/570495416.db2.gz LAYSWYQNQWDWIK-HNNXBMFYSA-N 0 0 396.314 4.994 50 0 GJAARN COc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000006604579 570495630 /nfs/dbraw/zinc/49/56/30/570495630.db2.gz JFGUQXCUYOENIM-UHFFFAOYSA-N 0 0 391.448 4.682 50 0 GJAARN CSc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000006605489 570496078 /nfs/dbraw/zinc/49/60/78/570496078.db2.gz QPNSMSZUOFWEGL-UHFFFAOYSA-N 0 0 391.492 4.800 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606074 570497046 /nfs/dbraw/zinc/49/70/46/570497046.db2.gz VJXYLULNQOFJDE-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN Cc1cc(C)c(C2=NON3N(C(=O)c4ccccc4)c4ccccc4N23)c(C)c1 ZINC000005185718 570498079 /nfs/dbraw/zinc/49/80/79/570498079.db2.gz QKBOCFZJQZVREL-UHFFFAOYSA-N 0 0 384.439 4.518 50 0 GJAARN O=C(Nc1ccc(Br)cn1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000030953033 570501766 /nfs/dbraw/zinc/50/17/66/570501766.db2.gz HUKLKIGQPBXULX-UHFFFAOYSA-N 0 0 379.685 4.948 50 0 GJAARN COc1ccc(Br)cc1CNCc1ccnc(Oc2ccccc2)c1 ZINC000030901743 570501069 /nfs/dbraw/zinc/50/10/69/570501069.db2.gz QWLVVRVIYQKOKM-UHFFFAOYSA-N 0 0 399.288 4.935 50 0 GJAARN Cc1cccc(NC(=O)OCCNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1C ZINC000003087644 570502792 /nfs/dbraw/zinc/50/27/92/570502792.db2.gz URQMKSZMXYUHCW-CJNGLKHVSA-N 0 0 399.318 4.559 50 0 GJAARN Cc1cccc(-c2ncc(C(=O)N3CCCCC3)c(N(C)c3ccccc3)n2)c1 ZINC000035988758 570504910 /nfs/dbraw/zinc/50/49/10/570504910.db2.gz JAEXUJCCZSJDAS-UHFFFAOYSA-N 0 0 386.499 4.846 50 0 GJAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2ccc(F)cc2)CCS3)cc1 ZINC000002719777 570507873 /nfs/dbraw/zinc/50/78/73/570507873.db2.gz NVTATZJRWPQOCD-UHFFFAOYSA-N 0 0 384.501 4.621 50 0 GJAARN COCCN(Cc1cc(-c2ccc(C)cc2C)on1)C(=O)c1ccc(C)cc1 ZINC000036011950 570509133 /nfs/dbraw/zinc/50/91/33/570509133.db2.gz NOLRLFBSCIRVJI-UHFFFAOYSA-N 0 0 378.472 4.556 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCCC2 ZINC000002736393 570509959 /nfs/dbraw/zinc/50/99/59/570509959.db2.gz 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ZINC000064676938 570516994 /nfs/dbraw/zinc/51/69/94/570516994.db2.gz UQHKSFHNUNDRDY-UHFFFAOYSA-N 0 0 376.391 4.558 50 0 GJAARN COc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000032998454 570517587 /nfs/dbraw/zinc/51/75/87/570517587.db2.gz TYPRMGDPXTYRHX-UHFFFAOYSA-N 0 0 398.821 4.992 50 0 GJAARN Cc1nnc(CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)o1 ZINC000006648508 570517616 /nfs/dbraw/zinc/51/76/16/570517616.db2.gz GVVOXKRHJNBUEN-UHFFFAOYSA-N 0 0 397.891 4.880 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000033048635 570519032 /nfs/dbraw/zinc/51/90/32/570519032.db2.gz ACLWDCYATZGISU-IBGZPJMESA-N 0 0 391.377 4.534 50 0 GJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(Br)c(C)c1 ZINC000033087354 570519776 /nfs/dbraw/zinc/51/97/76/570519776.db2.gz ZERWPTJJHRWOPU-HNNXBMFYSA-N 0 0 392.297 4.985 50 0 GJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(OC)c(Cl)c1 ZINC000064690414 570519976 /nfs/dbraw/zinc/51/99/76/570519976.db2.gz KQHDKBJTUGFFPV-UHFFFAOYSA-N 0 0 385.851 4.829 50 0 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/nfs/dbraw/zinc/53/18/46/570531846.db2.gz XFNZBKOVSQEFKX-UHFFFAOYSA-N 0 0 399.450 4.638 50 0 GJAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)COc4cccc(C)c4)cc3)nc2c1 ZINC000032960979 570532410 /nfs/dbraw/zinc/53/24/10/570532410.db2.gz SZFJPPMBLSXDTG-UHFFFAOYSA-N 0 0 399.494 4.982 50 0 GJAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)COc3ccccc3)nc21 ZINC000005264836 570532672 /nfs/dbraw/zinc/53/26/72/570532672.db2.gz FQRAEGQRODAMHR-UHFFFAOYSA-N 0 0 389.480 4.612 50 0 GJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1F ZINC000036103040 570540011 /nfs/dbraw/zinc/54/00/11/570540011.db2.gz FFKVRIASNBKIPU-QFIPXVFZSA-N 0 0 379.475 4.576 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Nc1cccs1)C(F)(F)F ZINC000072311239 570542608 /nfs/dbraw/zinc/54/26/08/570542608.db2.gz RVVZYQSCSHUMFR-MRXNPFEDSA-N 0 0 394.422 4.976 50 0 GJAARN CCCNC(=O)c1csc(-c2ccccc2OCc2cc(F)ccc2F)n1 ZINC000034714390 570543538 /nfs/dbraw/zinc/54/35/38/570543538.db2.gz LJXOOISJPACNFF-UHFFFAOYSA-N 0 0 388.439 4.807 50 0 GJAARN CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1cccc(C)c1C ZINC000096662805 570544734 /nfs/dbraw/zinc/54/47/34/570544734.db2.gz LTRWMBUCRUWZAZ-VGOFMYFVSA-N 0 0 389.527 4.774 50 0 GJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc2c1OCO2)NCc1ccccc1 ZINC000006705956 570545206 /nfs/dbraw/zinc/54/52/06/570545206.db2.gz HPQJUVFJNNPFLP-HXUWFJFHSA-N 0 0 398.462 4.735 50 0 GJAARN CCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1ccc2c(c1)OCO2 ZINC000006706095 570545290 /nfs/dbraw/zinc/54/52/90/570545290.db2.gz ZUIDMGVKGGVRMG-IBGZPJMESA-N 0 0 392.499 4.897 50 0 GJAARN O=C(/C=C\c1ccc2c(c1)OCO2)OCc1cc(-c2cc3ccccc3o2)on1 ZINC000022769001 570545890 /nfs/dbraw/zinc/54/58/90/570545890.db2.gz RCENCAGPYNVLQU-VURMDHGXSA-N 0 0 389.363 4.573 50 0 GJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)C(C)C)c1 ZINC000006709112 570546062 /nfs/dbraw/zinc/54/60/62/570546062.db2.gz BMCDQBDVDVJNRL-MRXNPFEDSA-N 0 0 375.557 4.520 50 0 GJAARN Cc1nc(C)c(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)s1 ZINC000006367067 570546832 /nfs/dbraw/zinc/54/68/32/570546832.db2.gz FVJVQVFCAOEQFD-OAQYLSRUSA-N 0 0 399.443 4.864 50 0 GJAARN Cc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(N2CCCC2)n1 ZINC000064800844 570547663 /nfs/dbraw/zinc/54/76/63/570547663.db2.gz HGWQJYVJXUHDPM-UHFFFAOYSA-N 0 0 391.450 4.520 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000009089414 570548358 /nfs/dbraw/zinc/54/83/58/570548358.db2.gz SIXCGHJLAIQTMV-AWEZNQCLSA-N 0 0 375.215 4.515 50 0 GJAARN COc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 ZINC000005279659 570548768 /nfs/dbraw/zinc/54/87/68/570548768.db2.gz YBMIDVAWVQUJJJ-UHFFFAOYSA-N 0 0 388.876 4.662 50 0 GJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1C ZINC000006721214 570549938 /nfs/dbraw/zinc/54/99/38/570549938.db2.gz GULRGALFFVIREJ-UHFFFAOYSA-N 0 0 392.528 4.578 50 0 GJAARN C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)N(C)Cc1cccc(F)c1 ZINC000097555460 570550418 /nfs/dbraw/zinc/55/04/18/570550418.db2.gz NPNMYOMMFAOOEP-MRXNPFEDSA-N 0 0 398.478 4.716 50 0 GJAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722505 570551082 /nfs/dbraw/zinc/55/10/82/570551082.db2.gz VXYFDBYNQSEWNK-MRXNPFEDSA-N 0 0 387.568 4.664 50 0 GJAARN CCCN(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006722839 570551451 /nfs/dbraw/zinc/55/14/51/570551451.db2.gz AOGRBDCNUBFBIC-UHFFFAOYSA-N 0 0 387.568 4.666 50 0 GJAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[NH+]3CCC(C)CC3)c([O-])n2n1 ZINC000022853272 570556427 /nfs/dbraw/zinc/55/64/27/570556427.db2.gz WCYCEKDRRJHHHP-INIZCTEOSA-N 0 0 390.940 4.534 50 0 GJAARN CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000006733886 570558497 /nfs/dbraw/zinc/55/84/97/570558497.db2.gz GDEYBLXJIHLPSM-QFIPXVFZSA-N 0 0 380.513 4.937 50 0 GJAARN COc1ccc(CNc2ncnc3c(-c4ccc(Cl)cc4)noc32)c(OC)c1 ZINC000064835118 570560034 /nfs/dbraw/zinc/56/00/34/570560034.db2.gz YONVSLVKUSNPDE-UHFFFAOYSA-N 0 0 396.834 4.568 50 0 GJAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)cc1C ZINC000064840084 570560672 /nfs/dbraw/zinc/56/06/72/570560672.db2.gz OPBIMEKLCGJOLH-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN Cn1ccnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000005358351 570560798 /nfs/dbraw/zinc/56/07/98/570560798.db2.gz NBTYYPJUWFXTHJ-UHFFFAOYSA-N 0 0 389.933 4.956 50 0 GJAARN COc1cccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036247012 570561676 /nfs/dbraw/zinc/56/16/76/570561676.db2.gz UKXMEDFROWCJEH-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN CCc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 ZINC000006737780 570562022 /nfs/dbraw/zinc/56/20/22/570562022.db2.gz SJJRQYIXVVSBGT-UHFFFAOYSA-N 0 0 390.512 4.675 50 0 GJAARN CCc1cccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)c1 ZINC000006737805 570562117 /nfs/dbraw/zinc/56/21/17/570562117.db2.gz PDCCSMOGTHMOQQ-UHFFFAOYSA-N 0 0 390.512 4.675 50 0 GJAARN Cc1ccc(NC(=O)N2CCC([C@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000064847762 570563675 /nfs/dbraw/zinc/56/36/75/570563675.db2.gz FAKYYIOHVBBJSY-INIZCTEOSA-N 0 0 383.467 4.653 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000064847943 570563851 /nfs/dbraw/zinc/56/38/51/570563851.db2.gz KNOBRLJKWWBINY-KRWDZBQOSA-N 0 0 397.494 4.961 50 0 GJAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCC2)c1C ZINC000064845704 570565535 /nfs/dbraw/zinc/56/55/35/570565535.db2.gz ORXPUDLQTPVKTQ-UHFFFAOYSA-N 0 0 382.551 4.638 50 0 GJAARN Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3C(C)(C)C2=O)cc1Cl ZINC000064846016 570565663 /nfs/dbraw/zinc/56/56/63/570565663.db2.gz RVNZATZIPKFDNX-UHFFFAOYSA-N 0 0 377.271 4.565 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000036620862 570565743 /nfs/dbraw/zinc/56/57/43/570565743.db2.gz ZUPGHKQZZGBRHD-KRWDZBQOSA-N 0 0 393.256 4.966 50 0 GJAARN O=C(Nc1ccccc1F)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000006747991 570566747 /nfs/dbraw/zinc/56/67/47/570566747.db2.gz XTTIJERUAMVONI-UHFFFAOYSA-N 0 0 391.830 4.953 50 0 GJAARN CCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)ccc2O3)c1 ZINC000006748431 570566752 /nfs/dbraw/zinc/56/67/52/570566752.db2.gz ANFXFYFUWIXKNY-UHFFFAOYSA-N 0 0 399.244 4.707 50 0 GJAARN Cc1c(NC(=O)Nc2ccccc2C)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000006750152 570567760 /nfs/dbraw/zinc/56/77/60/570567760.db2.gz YQZBFEGVBLMIBH-GFCCVEGCSA-N 0 0 396.516 4.691 50 0 GJAARN Cc1ccc(C(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1C ZINC000064858693 570567933 /nfs/dbraw/zinc/56/79/33/570567933.db2.gz PQQXBNIBYTVEMP-UHFFFAOYSA-N 0 0 389.474 4.790 50 0 biogenic GJAARN COc1ccccc1NC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006751484 570569917 /nfs/dbraw/zinc/56/99/17/570569917.db2.gz RMWDSJKJDHIEBU-AREMUKBSSA-N 0 0 389.860 4.502 50 0 GJAARN CNC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CC[C@@H](C)C2 ZINC000004326471 570571679 /nfs/dbraw/zinc/57/16/79/570571679.db2.gz FQGOCDZHRYJOBC-CQSZACIVSA-N 0 0 392.524 4.567 50 0 GJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1coc2cc(C)ccc12 ZINC000032983423 570572115 /nfs/dbraw/zinc/57/21/15/570572115.db2.gz MYSLVTVPVAKUHM-UHFFFAOYSA-N 0 0 395.484 4.834 50 0 GJAARN O=C(Cn1c(=O)oc2ccc(Cl)cc21)Nc1ccc(Oc2ccccc2)cc1 ZINC000006759299 570574374 /nfs/dbraw/zinc/57/43/74/570574374.db2.gz WBSYBOMOAVVTFT-UHFFFAOYSA-N 0 0 394.814 4.679 50 0 GJAARN CC[C@@H](Oc1ccccc1)C(=O)N(CC)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000006760249 570574840 /nfs/dbraw/zinc/57/48/40/570574840.db2.gz RFODYRWHUOVMPB-GOSISDBHSA-N 0 0 399.878 4.596 50 0 GJAARN Cc1ccc(S(=O)(=O)Oc2ccccc2-c2nc3ccc(C)cc3o2)cc1 ZINC000006765398 570576415 /nfs/dbraw/zinc/57/64/15/570576415.db2.gz ZSQKIDKPXIWUMW-UHFFFAOYSA-N 0 0 379.437 4.879 50 0 GJAARN CCOC(=O)c1cc(Br)cc(CC)c1NC(=O)c1ccccc1F ZINC000225474876 570578150 /nfs/dbraw/zinc/57/81/50/570578150.db2.gz SEGJAINTWHQIGM-UHFFFAOYSA-N 0 0 394.240 4.580 50 0 GJAARN COc1ccc(-c2nc(CN3CCCC[C@@H]3c3ccccn3)c(C)o2)c(OC)c1 ZINC000011668161 570579481 /nfs/dbraw/zinc/57/94/81/570579481.db2.gz RGXOVBJDGCXGCH-OAQYLSRUSA-N 0 0 393.487 4.789 50 0 GJAARN CN(Cc1ccccc1)c1nnc(NC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000006769014 570579558 /nfs/dbraw/zinc/57/95/58/570579558.db2.gz RTVRQYABZIKOQV-UHFFFAOYSA-N 0 0 391.859 4.611 50 0 GJAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccc(F)cc1 ZINC000036246205 570580849 /nfs/dbraw/zinc/58/08/49/570580849.db2.gz LWCBMWQSHBZTBK-UHFFFAOYSA-N 0 0 375.852 4.875 50 0 GJAARN COc1ccc(N([C@@H](C)c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000036246898 570581220 /nfs/dbraw/zinc/58/12/20/570581220.db2.gz NNXBUUGYOSKXML-KRWDZBQOSA-N 0 0 397.496 4.660 50 0 GJAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246985 570581249 /nfs/dbraw/zinc/58/12/49/570581249.db2.gz GVNMFIOWSLFSFV-UHFFFAOYSA-N 0 0 387.888 4.744 50 0 GJAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nccs2)c1 ZINC000011814007 570583392 /nfs/dbraw/zinc/58/33/92/570583392.db2.gz BOXNODWNGALZBN-UHFFFAOYSA-N 0 0 390.512 4.636 50 0 GJAARN CCCS(=O)(=O)Oc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2o1 ZINC000006774518 570583484 /nfs/dbraw/zinc/58/34/84/570583484.db2.gz BTPJMFJTJINADE-UHFFFAOYSA-N 0 0 386.256 4.920 50 0 GJAARN CC(C)CC(=O)Nc1cccc(-n2nc(OC(C)C)nc2-c2cccc(F)c2)c1 ZINC000006775113 570583552 /nfs/dbraw/zinc/58/35/52/570583552.db2.gz 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CCC(CC)n1ncc(C)c1NC(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000055413665 570694929 /nfs/dbraw/zinc/69/49/29/570694929.db2.gz WHKYELOCNGNTFM-UHFFFAOYSA-N 0 0 379.464 4.732 50 0 GJAARN Cc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2-c2cccnc2)cc1C ZINC000065095737 570694955 /nfs/dbraw/zinc/69/49/55/570694955.db2.gz KYDKVNULNDAWHZ-UHFFFAOYSA-N 0 0 397.482 4.815 50 0 GJAARN O=C(NCc1ccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)s1)C1CC1 ZINC000065097107 570695458 /nfs/dbraw/zinc/69/54/58/570695458.db2.gz QDKRBVKWFYONMY-UHFFFAOYSA-N 0 0 393.390 4.510 50 0 GJAARN O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1cccc2ccccc21 ZINC000207965195 570695461 /nfs/dbraw/zinc/69/54/61/570695461.db2.gz RLKRXGIXJHQUBS-HXUWFJFHSA-N 0 0 379.506 4.975 50 0 GJAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3c(C)cccc3C)C2=O)n1 ZINC000012651934 570695518 /nfs/dbraw/zinc/69/55/18/570695518.db2.gz DHRXYRSTJKZCKW-XSFVSMFZSA-N 0 0 383.451 4.647 50 0 GJAARN Cc1nncn1-c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)c1 ZINC000156803705 570696790 /nfs/dbraw/zinc/69/67/90/570696790.db2.gz 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CCn1nccc1-c1cccc(-c2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000065137342 570708168 /nfs/dbraw/zinc/70/81/68/570708168.db2.gz FPKLZYZRESFJEV-UHFFFAOYSA-N 0 0 380.835 4.852 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Br)cc1 ZINC000000704126 570709226 /nfs/dbraw/zinc/70/92/26/570709226.db2.gz OJPCLDUOLKPGGO-UHFFFAOYSA-N 0 0 382.279 4.502 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)c(C)c3)c12 ZINC000012756920 570710317 /nfs/dbraw/zinc/71/03/17/570710317.db2.gz XDSOEOHDZZRUQF-UHFFFAOYSA-N 0 0 386.249 4.732 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148324 570710331 /nfs/dbraw/zinc/71/03/31/570710331.db2.gz BFRIFSFZPYKQOG-KRWDZBQOSA-N 0 0 390.462 4.688 50 0 GJAARN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc2cccc(Br)c2o1 ZINC000032637022 570712093 /nfs/dbraw/zinc/71/20/93/570712093.db2.gz WJIAGDOCTYHLJU-UHFFFAOYSA-N 0 0 399.244 4.796 50 0 GJAARN O=c1c2ccccc2nnn1CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000006939959 570713411 /nfs/dbraw/zinc/71/34/11/570713411.db2.gz 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COc1cccc(CC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000032809146 570823447 /nfs/dbraw/zinc/82/34/47/570823447.db2.gz WDVOLDIHISJMJP-UHFFFAOYSA-N 0 0 394.858 4.782 50 0 GJAARN O=C(C[C@](O)(c1ccco1)C(F)(F)F)Nc1ccccc1Oc1ccccc1 ZINC000014113894 570823586 /nfs/dbraw/zinc/82/35/86/570823586.db2.gz FMPACJFJIWBGMD-IBGZPJMESA-N 0 0 391.345 4.851 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000014118872 570824016 /nfs/dbraw/zinc/82/40/16/570824016.db2.gz ARTMBUJVQPBYIZ-INIZCTEOSA-N 0 0 378.472 4.622 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c(OC)c1OC ZINC000007285288 570824871 /nfs/dbraw/zinc/82/48/71/570824871.db2.gz USWWFFMTJQSOEK-UHFFFAOYSA-N 0 0 375.424 4.536 50 0 GJAARN Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2o1 ZINC000012515786 570825157 /nfs/dbraw/zinc/82/51/57/570825157.db2.gz BLQUOATVOJUPAZ-HNNXBMFYSA-N 0 0 378.476 4.566 50 0 GJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cccc(Cl)c1 ZINC000005700594 570825513 /nfs/dbraw/zinc/82/55/13/570825513.db2.gz 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Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000012535483 570835781 /nfs/dbraw/zinc/83/57/81/570835781.db2.gz SVPQLBZFVWRDSO-QGZVFWFLSA-N 0 0 397.837 4.787 50 0 GJAARN COC(=O)c1cc(F)c(C)c(NC(=O)c2ccc(-c3ccsc3)nc2C)c1 ZINC000101826439 570835886 /nfs/dbraw/zinc/83/58/86/570835886.db2.gz YSRSFGRCQCUIOW-UHFFFAOYSA-N 0 0 384.432 4.605 50 0 GJAARN CC(=O)c1c(Cl)c(Br)c(C(C)=O)c(Cl)c1Br ZINC000003121806 570837315 /nfs/dbraw/zinc/83/73/15/570837315.db2.gz CREXIBIMYLGMKT-UHFFFAOYSA-N 0 0 388.870 4.924 50 0 GJAARN O=C(NC12CC3CC(CC(C3)C1)C2)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000014251661 570838406 /nfs/dbraw/zinc/83/84/06/570838406.db2.gz KCGAKGIGYAOZGE-PVJWCDSSSA-N 0 0 377.619 4.684 50 0 GJAARN O=C(NCCCc1nc2ccccc2n1C/C=C\c1ccccc1)c1ccco1 ZINC000013282711 570838813 /nfs/dbraw/zinc/83/88/13/570838813.db2.gz RZPMYBLXOMAZEG-XFFZJAGNSA-N 0 0 385.467 4.705 50 0 GJAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 ZINC000003231219 570839974 /nfs/dbraw/zinc/83/99/74/570839974.db2.gz RVWRXDXXOXHTEZ-CYBMUJFWSA-N 0 0 390.270 4.894 50 0 GJAARN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000003238982 570840394 /nfs/dbraw/zinc/84/03/94/570840394.db2.gz ZAIBXXREBHLSMO-UHFFFAOYSA-N 0 0 390.625 4.510 50 0 GJAARN CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000004698592 570842881 /nfs/dbraw/zinc/84/28/81/570842881.db2.gz IOTUMJOUPMRWLR-IBGZPJMESA-N 0 0 394.515 4.864 50 0 GJAARN CCCCCC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 ZINC000007433524 570843772 /nfs/dbraw/zinc/84/37/72/570843772.db2.gz AUSKPXYBBOQUJU-UHFFFAOYSA-N 0 0 393.443 4.517 50 0 GJAARN COc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1OCc1ccncc1 ZINC000032832304 570844957 /nfs/dbraw/zinc/84/49/57/570844957.db2.gz DTWOCNTVXDQKHN-UHFFFAOYSA-N 0 0 386.810 4.714 50 0 GJAARN COCc1c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)sc2cccc(F)c21 ZINC000012544369 570845086 /nfs/dbraw/zinc/84/50/86/570845086.db2.gz HYUHTKSTGLOLOF-UHFFFAOYSA-N 0 0 381.432 4.829 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)on2)cc1 ZINC000032833497 570845562 /nfs/dbraw/zinc/84/55/62/570845562.db2.gz MFYZSTIYEWKJBV-UHFFFAOYSA-N 0 0 384.819 4.717 50 0 GJAARN Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)nc2c1 ZINC000012546495 570847810 /nfs/dbraw/zinc/84/78/10/570847810.db2.gz LTQRZQUGPQRVSE-SECBINFHSA-N 0 0 381.288 4.692 50 0 GJAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1F ZINC000012548960 570851255 /nfs/dbraw/zinc/85/12/55/570851255.db2.gz OPUUISFBHMACBS-UHFFFAOYSA-N 0 0 377.444 4.895 50 0 GJAARN COc1ccc(C(C)=O)cc1CSc1nnc(NC2CCCCC2)s1 ZINC000003290907 570852567 /nfs/dbraw/zinc/85/25/67/570852567.db2.gz RDPIXQAOFPOTTL-UHFFFAOYSA-N 0 0 377.535 4.786 50 0 GJAARN O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(N2CCCC2=O)cc1 ZINC000007491185 570854688 /nfs/dbraw/zinc/85/46/88/570854688.db2.gz YSLCSSUNECTHIH-UHFFFAOYSA-N 0 0 398.462 4.572 50 0 GJAARN C[C@H](SCc1cc2c(c(Cl)c1)OCO2)C(=O)Nc1cc(F)ccc1F ZINC000032854200 570854991 /nfs/dbraw/zinc/85/49/91/570854991.db2.gz ZHCSANGZJAQEBE-VIFPVBQESA-N 0 0 385.819 4.607 50 0 GJAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1C)O[C@H](C)C2 ZINC000032854014 570855017 /nfs/dbraw/zinc/85/50/17/570855017.db2.gz HURUTYZIYUNRLK-OCCSQVGLSA-N 0 0 388.895 4.810 50 0 GJAARN CCOc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OCc1cccnc1 ZINC000024442460 570855513 /nfs/dbraw/zinc/85/55/13/570855513.db2.gz NUMUYJBNTCGICQ-QGZVFWFLSA-N 0 0 388.467 4.651 50 0 GJAARN O=C(Nc1ccccc1NCC(F)(F)F)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000170597599 570855660 /nfs/dbraw/zinc/85/56/60/570855660.db2.gz OXGWDZOJJOEJIS-UHFFFAOYSA-N 0 0 396.752 4.673 50 0 GJAARN Cc1cccc(OCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 ZINC000003340349 570858833 /nfs/dbraw/zinc/85/88/33/570858833.db2.gz HJCMZQJXUYMOST-UHFFFAOYSA-N 0 0 386.447 4.761 50 0 GJAARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000102731842 570859514 /nfs/dbraw/zinc/85/95/14/570859514.db2.gz CMFRLIYHLHJQDY-KRWDZBQOSA-N 0 0 398.459 4.859 50 0 GJAARN CCN(C(=O)CSCc1nc(-c2ccc(C)cc2)no1)c1cccc(C)c1 ZINC000033250301 570859566 /nfs/dbraw/zinc/85/95/66/570859566.db2.gz UBLPQJQTBUHMKP-UHFFFAOYSA-N 0 0 381.501 4.640 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSCc1nc(-c2ccc(F)cc2)no1 ZINC000033250329 570859650 /nfs/dbraw/zinc/85/96/50/570859650.db2.gz JPKKEJFBIOFHOJ-UHFFFAOYSA-N 0 0 385.464 4.618 50 0 GJAARN Cc1nc(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cs1 ZINC000170601904 570859905 /nfs/dbraw/zinc/85/99/05/570859905.db2.gz GJSLYKPRIRGJDC-UHFFFAOYSA-N 0 0 396.537 4.804 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1)c1ccccn1 ZINC000012558244 570860506 /nfs/dbraw/zinc/86/05/06/570860506.db2.gz VEBMZWLORLPFHA-QHCPKHFHSA-N 0 0 397.478 4.579 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccs3)C2)cc1 ZINC000102751899 570862210 /nfs/dbraw/zinc/86/22/10/570862210.db2.gz JHSVPQOMIMATBU-KZULUSFZSA-N 0 0 394.456 4.769 50 0 GJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000033255864 570863620 /nfs/dbraw/zinc/86/36/20/570863620.db2.gz PLIITQNNLBOEJD-UHFFFAOYSA-N 0 0 382.460 4.546 50 0 GJAARN O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCCCC[C@H]1c1ccncc1 ZINC000170607615 570864754 /nfs/dbraw/zinc/86/47/54/570864754.db2.gz CZKMBGIIUMIBMW-NRFANRHFSA-N 0 0 381.495 4.969 50 0 GJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1C[C@H](C(C)(C)C(C)C)C[C@H](C)C1=O ZINC000102812044 570865414 /nfs/dbraw/zinc/86/54/14/570865414.db2.gz JQRKTVYMLPNBDE-HCKSERAJSA-N 0 0 388.504 4.829 50 0 biogenic GJAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1N1CCCC1 ZINC000012561234 570865634 /nfs/dbraw/zinc/86/56/34/570865634.db2.gz POISNOIWTTWLRO-INIZCTEOSA-N 0 0 394.544 4.528 50 0 GJAARN O=C(NC1CCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260964 570866138 /nfs/dbraw/zinc/86/61/38/570866138.db2.gz NWKNHGWWFFUFMZ-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@H](c3ccccc3)CC(=O)C21 ZINC000102836401 570866819 /nfs/dbraw/zinc/86/68/19/570866819.db2.gz QDHZAFKNLXOYNA-VBKZILBWSA-N 0 0 388.427 4.707 50 0 GJAARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@@H](c3ccccc3)C12 ZINC000102839368 570866916 /nfs/dbraw/zinc/86/69/16/570866916.db2.gz OHVVHIFIVBDWOB-LIRRHRJNSA-N 0 0 376.391 4.838 50 0 GJAARN COc1cccc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000003447001 570869440 /nfs/dbraw/zinc/86/94/40/570869440.db2.gz RPFRMOVVDNPVAW-UHFFFAOYSA-N 0 0 375.346 4.904 50 0 GJAARN Cn1cccc1CN(Cc1cccs1)C(=O)Cc1c(F)cccc1Cl ZINC000207973977 570869746 /nfs/dbraw/zinc/86/97/46/570869746.db2.gz ADALHNPWRAUIQD-UHFFFAOYSA-N 0 0 376.884 4.651 50 0 GJAARN COc1cccc2cc([C@@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc21 ZINC000170612611 570870104 /nfs/dbraw/zinc/87/01/04/570870104.db2.gz VBCOOWYVMAQPAG-SFHVURJKSA-N 0 0 379.847 4.594 50 0 GJAARN O=C(CSc1nnc(-c2ccco2)o1)N(Cc1ccco1)C1=CCCCC1 ZINC000012567301 570871646 /nfs/dbraw/zinc/87/16/46/570871646.db2.gz FUUBQTPAYBIIAT-UHFFFAOYSA-N 0 0 385.445 4.501 50 0 GJAARN COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(Br)cc1O ZINC000015016784 570871763 /nfs/dbraw/zinc/87/17/63/570871763.db2.gz HHQUQSHWDJHBMY-VQHVLOKHSA-N 0 0 386.245 4.891 50 0 GJAARN O=C(c1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000170614750 570872552 /nfs/dbraw/zinc/87/25/52/570872552.db2.gz SUZGYYWUDHSUPI-UHFFFAOYSA-N 0 0 384.690 4.771 50 0 GJAARN O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1Cl ZINC000170615065 570872594 /nfs/dbraw/zinc/87/25/94/570872594.db2.gz UXWCQHPNIBUUHZ-UHFFFAOYSA-N 0 0 388.659 4.963 50 0 GJAARN CCn1c(SCC(=O)C(C)(C)C)nc2scc(-c3ccccc3)c2c1=O ZINC000003507514 570873933 /nfs/dbraw/zinc/87/39/33/570873933.db2.gz ASHORYFGBBVYJC-UHFFFAOYSA-N 0 0 386.542 4.852 50 0 GJAARN COc1ccc2ccc(OCc3nc(C(=O)N4[C@H](C)CCC[C@@H]4C)co3)cc2c1 ZINC000015069339 570876665 /nfs/dbraw/zinc/87/66/65/570876665.db2.gz OQEWGTWOFWFFND-IYBDPMFKSA-N 0 0 394.471 4.819 50 0 GJAARN COc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000012578603 570876677 /nfs/dbraw/zinc/87/66/77/570876677.db2.gz SQFWLZYVKSQEAQ-UHFFFAOYSA-N 0 0 391.254 4.876 50 0 GJAARN CCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000007543593 570877652 /nfs/dbraw/zinc/87/76/52/570877652.db2.gz OJVPZSDMUYZSPY-KRWDZBQOSA-N 0 0 377.488 4.756 50 0 GJAARN O=C(NCC1(c2ccccc2Cl)CCOCC1)Nc1cccc2cnccc21 ZINC000170621971 570877688 /nfs/dbraw/zinc/87/76/88/570877688.db2.gz FMBPYOUQDWZSTK-UHFFFAOYSA-N 0 0 395.890 4.758 50 0 GJAARN CC(C)n1nc(C(=O)Oc2cccc(Cl)c2Cl)c2ccccc2c1=O ZINC000003603232 570877682 /nfs/dbraw/zinc/87/76/82/570877682.db2.gz PKASMCSPSSJQIE-UHFFFAOYSA-N 0 0 377.227 4.503 50 0 GJAARN Nc1ncc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)cc1Cl ZINC000170623560 570881682 /nfs/dbraw/zinc/88/16/82/570881682.db2.gz UCUBZHMKGDRNCF-UHFFFAOYSA-N 0 0 378.819 4.613 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](CC)C2 ZINC000004558277 570882161 /nfs/dbraw/zinc/88/21/61/570882161.db2.gz JXICJJGQQREZGP-GFCCVEGCSA-N 0 0 375.465 4.831 50 0 GJAARN Cc1ccc(F)cc1NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1 ZINC000033264315 570882496 /nfs/dbraw/zinc/88/24/96/570882496.db2.gz WCSXLTJVLFPPSE-LJQANCHMSA-N 0 0 397.494 4.684 50 0 GJAARN CN(C[C@@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1)C(=O)OC(C)(C)C ZINC000170625603 570882550 /nfs/dbraw/zinc/88/25/50/570882550.db2.gz JECCZYUSOKMXHQ-HNNXBMFYSA-N 0 0 389.927 4.972 50 0 GJAARN C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nnc(-c2cccs2)o1 ZINC000012588468 570882781 /nfs/dbraw/zinc/88/27/81/570882781.db2.gz PYHGIDJCSSYALS-NSHDSACASA-N 0 0 396.501 4.640 50 0 GJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccccc3Cl)c2)C1 ZINC000033264270 570883198 /nfs/dbraw/zinc/88/31/98/570883198.db2.gz OVUDOYYLJHUCKD-SFHVURJKSA-N 0 0 399.922 4.890 50 0 GJAARN Cc1nc2cc(NC(=O)C[C@H]3OC(=O)c4ccccc43)ccc2n1-c1ccccc1 ZINC000012596090 570884528 /nfs/dbraw/zinc/88/45/28/570884528.db2.gz IVCDMFOTNBLHFC-JOCHJYFZSA-N 0 0 397.434 4.574 50 0 GJAARN COc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1F ZINC000015188665 570884534 /nfs/dbraw/zinc/88/45/34/570884534.db2.gz UVFNCFGNMOEKLN-QOCHGBHMSA-N 0 0 392.883 4.633 50 0 GJAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012598673 570885429 /nfs/dbraw/zinc/88/54/29/570885429.db2.gz PTGPXDNROCLMDG-IBGZPJMESA-N 0 0 396.560 4.672 50 0 GJAARN COc1cccc(N[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1 ZINC000012597494 570885435 /nfs/dbraw/zinc/88/54/35/570885435.db2.gz AUOZWLRMGMKFES-LLVKDONJSA-N 0 0 383.498 4.895 50 0 GJAARN COc1ccc(Oc2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc2OC)cc1 ZINC000012601713 570886940 /nfs/dbraw/zinc/88/69/40/570886940.db2.gz MVTFZZJBRPBGRT-UHFFFAOYSA-N 0 0 389.411 4.625 50 0 GJAARN CC(=O)c1ccc(NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000015288265 570887666 /nfs/dbraw/zinc/88/76/66/570887666.db2.gz YRHUPPYKNOIUAE-UHFFFAOYSA-N 0 0 386.495 4.640 50 0 GJAARN CCOc1ccccc1CNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267186 570887828 /nfs/dbraw/zinc/88/78/28/570887828.db2.gz JEWQEHJMCKTZIC-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccnc1 ZINC000024535753 570888524 /nfs/dbraw/zinc/88/85/24/570888524.db2.gz FAFLWPXXMWJGHP-UHFFFAOYSA-N 0 0 383.455 4.598 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3nc(N)c4ccccc4n3)c2n1 ZINC000012606769 570888745 /nfs/dbraw/zinc/88/87/45/570888745.db2.gz GFTSWGCSSVJFQQ-UHFFFAOYSA-N 0 0 385.254 4.954 50 0 GJAARN O=C(Cc1ccccc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000015317886 570888954 /nfs/dbraw/zinc/88/89/54/570888954.db2.gz RHECNKCSSMYOTG-UHFFFAOYSA-N 0 0 397.931 4.536 50 0 GJAARN CCC(NCc1ccc(Cl)cc1)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000103840917 570889306 /nfs/dbraw/zinc/88/93/06/570889306.db2.gz UCAAVTTYMVEVNC-WUKNDPDISA-N 0 0 375.255 4.708 50 0 GJAARN COc1ccc(Cl)c2sc(N3CCc4cc(OC)c(OC)cc4C3)nc21 ZINC000042381287 570890845 /nfs/dbraw/zinc/89/08/45/570890845.db2.gz XFIMHICOLPFHGV-UHFFFAOYSA-N 0 0 390.892 4.538 50 0 GJAARN Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000097087240 570891090 /nfs/dbraw/zinc/89/10/90/570891090.db2.gz OKBRIPFKHKPEDI-SFHVURJKSA-N 0 0 396.809 4.664 50 0 GJAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000015396347 570893227 /nfs/dbraw/zinc/89/32/27/570893227.db2.gz MJPFFMOZZGAWIJ-OAHLLOKOSA-N 0 0 383.463 4.722 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000010254599 570893507 /nfs/dbraw/zinc/89/35/07/570893507.db2.gz IMGWQIQCVUQDMC-UHFFFAOYSA-N 0 0 378.806 4.871 50 0 GJAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccsc2)cc1 ZINC000015412974 570893788 /nfs/dbraw/zinc/89/37/88/570893788.db2.gz ZBIGFCKQDGPAOU-QFIPXVFZSA-N 0 0 390.508 4.794 50 0 GJAARN Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1F ZINC000013320226 570894806 /nfs/dbraw/zinc/89/48/06/570894806.db2.gz TXMRHZBELYIQCV-UHFFFAOYSA-N 0 0 396.293 4.791 50 0 GJAARN COc1ccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1OC ZINC000013331434 570895805 /nfs/dbraw/zinc/89/58/05/570895805.db2.gz LEDPQUUTDIVWPB-UHFFFAOYSA-N 0 0 394.475 4.518 50 0 GJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCCOc2ccc(Cl)cc2)c1Cl ZINC000014704479 570896566 /nfs/dbraw/zinc/89/65/66/570896566.db2.gz ZGLYQWSWNNOWIJ-UHFFFAOYSA-N 0 0 396.057 4.513 50 0 GJAARN O=C(/C=C\c1ccc(SC(F)(F)F)cc1)NC1(C(F)(F)F)CCOCC1 ZINC000104201952 570898003 /nfs/dbraw/zinc/89/80/03/570898003.db2.gz YMRDQROTVGEEQW-UTCJRWHESA-N 0 0 399.356 4.539 50 0 GJAARN O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)Nc1ccccc1F ZINC000013610198 570899206 /nfs/dbraw/zinc/89/92/06/570899206.db2.gz CWPRWFCMFRDYQR-UHFFFAOYSA-N 0 0 391.450 4.917 50 0 GJAARN CC(C)C(=O)N[C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000001231025 570900314 /nfs/dbraw/zinc/90/03/14/570900314.db2.gz DTJNDQYIFJHIGL-NSHDSACASA-N 0 0 377.621 4.586 50 0 GJAARN CCC(=O)c1ccc(OCC(=O)Nc2ccccc2SCC(F)(F)F)cc1 ZINC000014814739 570902519 /nfs/dbraw/zinc/90/25/19/570902519.db2.gz KALJYVQKXPJHEU-UHFFFAOYSA-N 0 0 397.418 4.951 50 0 GJAARN COc1cc2c(cc1OC)CN([C@@H](C)c1nc3ccccc3n1C(F)F)CC2 ZINC000032904945 570902828 /nfs/dbraw/zinc/90/28/28/570902828.db2.gz KAMCIJJBCHQIKI-ZDUSSCGKSA-N 0 0 387.430 4.568 50 0 GJAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4cccnc4)ccc3c2C)cc1 ZINC000015729346 570903038 /nfs/dbraw/zinc/90/30/38/570903038.db2.gz YFGSTHMMZOOGGI-UHFFFAOYSA-N 0 0 386.407 4.628 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)cc1 ZINC000011246738 570903355 /nfs/dbraw/zinc/90/33/55/570903355.db2.gz LSYAHVLCRUSISX-UHFFFAOYSA-N 0 0 389.386 4.792 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccccc2)cc1 ZINC000014609810 570906454 /nfs/dbraw/zinc/90/64/54/570906454.db2.gz XGNSYQABSCOFTP-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN CCc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000051315264 570906657 /nfs/dbraw/zinc/90/66/57/570906657.db2.gz GEMXQUOEZQCGJI-UHFFFAOYSA-N 0 0 392.333 4.555 50 0 GJAARN O=C(c1ccc(Cl)nc1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014629506 570906912 /nfs/dbraw/zinc/90/69/12/570906912.db2.gz DEACWEFGZPRPIA-UHFFFAOYSA-N 0 0 383.904 4.917 50 0 GJAARN Cc1cc2oc(=O)c3c(c2c2c1[C@@H](c1ccc4ncccc4c1)CC(=O)O2)CCC3 ZINC000263585089 570907777 /nfs/dbraw/zinc/90/77/77/570907777.db2.gz DYNVEVFTRSXYOO-GOSISDBHSA-N 0 0 397.430 4.579 50 0 biogenic GJAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(C)c3)C2)cc1 ZINC000089632076 570907940 /nfs/dbraw/zinc/90/79/40/570907940.db2.gz CAOFEYTVHXHHNC-QHCPKHFHSA-N 0 0 390.508 4.843 50 0 GJAARN Cc1ccc2cc(C(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)c(C)nc2c1 ZINC000089665892 570908582 /nfs/dbraw/zinc/90/85/82/570908582.db2.gz HDOKDJYPWATNLE-XLIONFOSSA-N 0 0 380.513 4.641 50 0 GJAARN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 ZINC000015974974 570910217 /nfs/dbraw/zinc/91/02/17/570910217.db2.gz PEEFZWHLGWFFPV-OAHLLOKOSA-N 0 0 377.510 4.974 50 0 GJAARN Cc1c(=O)c2cccc(C(=O)NCCOc3ccccc3)c2oc1-c1ccccc1 ZINC000016009280 570911016 /nfs/dbraw/zinc/91/10/16/570911016.db2.gz YXMPYIONXRQWNW-UHFFFAOYSA-N 0 0 399.446 4.577 50 0 GJAARN O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(Cl)cc1 ZINC000007573212 570912574 /nfs/dbraw/zinc/91/25/74/570912574.db2.gz PBBXIDGFJXNXCU-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN CC(C)n1ccnc1-c1ccc(C(=O)N(Cc2cccc(O)c2)C2CC2)cc1 ZINC000534657474 570915877 /nfs/dbraw/zinc/91/58/77/570915877.db2.gz RUYKHUVQVATZBN-UHFFFAOYSA-N 0 0 375.472 4.641 50 0 GJAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)cc1Cl ZINC000089929738 570919624 /nfs/dbraw/zinc/91/96/24/570919624.db2.gz SBHSZCFQSJWHBB-COXVUDFISA-N 0 0 386.879 4.690 50 0 GJAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)C5CC5)cc43)oc21 ZINC000004586186 570919625 /nfs/dbraw/zinc/91/96/25/570919625.db2.gz UFRLQFHSFUFVKP-UHFFFAOYSA-N 0 0 390.391 4.839 50 0 biogenic GJAARN Cn1ccnc1[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1 ZINC000016263108 570919764 /nfs/dbraw/zinc/91/97/64/570919764.db2.gz SROKTFRFOFPDAZ-SFHVURJKSA-N 0 0 399.878 4.947 50 0 GJAARN Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OCC(=O)OC(C)C ZINC000004586254 570920114 /nfs/dbraw/zinc/92/01/14/570920114.db2.gz ONMSMHKYPFUKNF-UHFFFAOYSA-N 0 0 392.407 4.845 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1cccs1)N[C@H]1CCCc2ccccc21 ZINC000007580646 570920704 /nfs/dbraw/zinc/92/07/04/570920704.db2.gz JXMSTEUXFIBYGS-NRFANRHFSA-N 0 0 380.513 4.537 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccccc21 ZINC000004035823 570923399 /nfs/dbraw/zinc/92/33/99/570923399.db2.gz CEOJURFNPLUAIB-UHFFFAOYSA-N 0 0 379.847 4.688 50 0 GJAARN Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012039 570924249 /nfs/dbraw/zinc/92/42/49/570924249.db2.gz IGRFHVMOHFATRV-UHFFFAOYSA-N 0 0 380.498 4.547 50 0 GJAARN COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2=CNc1ccc(C)cc1 ZINC000001232224 570925559 /nfs/dbraw/zinc/92/55/59/570925559.db2.gz UGPZGHYTYXMSIJ-PXLXIMEGSA-N 0 0 384.435 4.644 50 0 GJAARN O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)c1cccnc1 ZINC000017077083 570926182 /nfs/dbraw/zinc/92/61/82/570926182.db2.gz STPGJJDWONXXMA-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN CC(C)c1noc(CCCC(=O)Nc2nc3c(ccc4ccccc34)s2)n1 ZINC000032915765 570926930 /nfs/dbraw/zinc/92/69/30/570926930.db2.gz MWZSLLKONLKSMJ-UHFFFAOYSA-N 0 0 380.473 4.917 50 0 GJAARN CC(C)c1ccc(C(=O)NCc2c(-c3ccccc3)nc3n2CCS3)cc1 ZINC000017113621 570927867 /nfs/dbraw/zinc/92/78/67/570927867.db2.gz SFDTVULCOGDFHZ-UHFFFAOYSA-N 0 0 377.513 4.709 50 0 GJAARN COC(=O)c1ccc(C=C2SC(Nc3cccc(C)c3Cl)=NC2=O)cc1 ZINC000017193796 570929477 /nfs/dbraw/zinc/92/94/77/570929477.db2.gz POKHXKBBIWOADL-XNTDXEJSSA-N 0 0 386.860 4.517 50 0 GJAARN CCOc1ccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000004072054 570929563 /nfs/dbraw/zinc/92/95/63/570929563.db2.gz VWODCYNPHHQAPP-UHFFFAOYSA-N 0 0 383.517 4.657 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 ZINC000004079151 570930382 /nfs/dbraw/zinc/93/03/82/570930382.db2.gz GMCTUESFHHAUCQ-UHFFFAOYSA-N 0 0 399.903 4.842 50 0 GJAARN Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000001064279 570931371 /nfs/dbraw/zinc/93/13/71/570931371.db2.gz FSEWSWOVFYEOHF-UHFFFAOYSA-N 0 0 396.221 4.841 50 0 GJAARN CC[C@@H](C(=O)Nc1ccc(Nc2nc(C)cc(N(C)C)n2)cc1)c1ccccc1 ZINC000017269199 570931880 /nfs/dbraw/zinc/93/18/80/570931880.db2.gz QFQQKPXTTCTTOJ-HXUWFJFHSA-N 0 0 389.503 4.727 50 0 GJAARN Cc1ccc(S(=O)(=O)c2nc(SCc3ccco3)sc2Cl)cc1 ZINC000001122612 570931884 /nfs/dbraw/zinc/93/18/84/570931884.db2.gz LKASYOKMTMKTAP-UHFFFAOYSA-N 0 0 385.919 4.823 50 0 GJAARN Cc1ccccc1-c1cc(C(=O)Nc2ccccc2C(N)=O)c2ccccc2n1 ZINC000002744807 570933296 /nfs/dbraw/zinc/93/32/96/570933296.db2.gz IUKKJOUIUFRCNI-UHFFFAOYSA-N 0 0 381.435 4.561 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 ZINC000032931991 570946461 /nfs/dbraw/zinc/94/64/61/570946461.db2.gz BNJZFDIAXFCZTK-UHFFFAOYSA-N 0 0 384.483 4.700 50 0 GJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccs1 ZINC000002366725 570947154 /nfs/dbraw/zinc/94/71/54/570947154.db2.gz WDMIEUFENWHBFS-UHFFFAOYSA-N 0 0 392.937 4.719 50 0 GJAARN Cc1cc(C)c(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c(C)c1 ZINC000004732857 570947647 /nfs/dbraw/zinc/94/76/47/570947647.db2.gz IBOYNKOWXXSMCL-UHFFFAOYSA-N 0 0 391.496 4.956 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000033272113 570947864 /nfs/dbraw/zinc/94/78/64/570947864.db2.gz IWCRHNOLAVZNBP-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN O=C1C[C@H](c2csc([C@H]3CC(=O)OC34CCCCC4)n2)C2(CCCCC2)O1 ZINC000002105698 570948465 /nfs/dbraw/zinc/94/84/65/570948465.db2.gz ZLYUWLDLNQGNQB-HUUCEWRRSA-N 0 0 389.517 4.610 50 0 biogenic GJAARN O=C(c1ccc(-n2cccn2)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012677883 570948493 /nfs/dbraw/zinc/94/84/93/570948493.db2.gz FFUYAMGVAGROGU-IBGZPJMESA-N 0 0 388.496 4.849 50 0 GJAARN Fc1ccc(-c2cc3ncnc(NC[C@@H]4COc5ccccc5O4)c3s2)cc1 ZINC000012690155 570949360 /nfs/dbraw/zinc/94/93/60/570949360.db2.gz CDAUCIIHUTUVGG-OAHLLOKOSA-N 0 0 393.443 4.749 50 0 GJAARN CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC ZINC000018097097 570950479 /nfs/dbraw/zinc/95/04/79/570950479.db2.gz JAZVZEZDLADSQO-UHFFFAOYSA-N 0 0 380.444 4.572 50 0 biogenic GJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000004263995 570951358 /nfs/dbraw/zinc/95/13/58/570951358.db2.gz ZINKJKZJYKUIJV-UHFFFAOYSA-N 0 0 396.512 4.513 50 0 GJAARN Cc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033276413 570951493 /nfs/dbraw/zinc/95/14/93/570951493.db2.gz GGXABCSBQWFQQK-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C(F)(F)F)cc1)CO3 ZINC000002117531 570952900 /nfs/dbraw/zinc/95/29/00/570952900.db2.gz UAZMAADLTKAJDO-UHFFFAOYSA-N 0 0 375.346 4.785 50 0 biogenic GJAARN COc1ccccc1NC(=O)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033279024 570953253 /nfs/dbraw/zinc/95/32/53/570953253.db2.gz ISQDAAAMLHFFFU-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN COc1cccc(NC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)c1 ZINC000033279045 570953263 /nfs/dbraw/zinc/95/32/63/570953263.db2.gz DWQPAXORRNZCQE-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2OC(F)F)c(C(F)(F)F)c1 ZINC000010641331 570953635 /nfs/dbraw/zinc/95/36/35/570953635.db2.gz TZWKADOVPDTWJT-UHFFFAOYSA-N 0 0 388.292 4.518 50 0 GJAARN Cc1cc(NC(=O)[C@@H](Sc2c(F)cc(F)cc2F)c2ccccc2)no1 ZINC000054486763 570955005 /nfs/dbraw/zinc/95/50/05/570955005.db2.gz PMNOAFFRKPUSSQ-INIZCTEOSA-N 0 0 378.375 4.872 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(OC)c1)CO3 ZINC000002120307 570955565 /nfs/dbraw/zinc/95/55/65/570955565.db2.gz QDODUPCAUFHSNQ-UHFFFAOYSA-N 0 0 379.456 4.809 50 0 biogenic GJAARN O=C(NCc1ccco1)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 ZINC000033287808 570955732 /nfs/dbraw/zinc/95/57/32/570955732.db2.gz PAKZMDCMGFICNQ-UHFFFAOYSA-N 0 0 393.830 4.597 50 0 GJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c1 ZINC000001294455 570956300 /nfs/dbraw/zinc/95/63/00/570956300.db2.gz HZGKIKCZPCBRSK-NFBKMPQASA-N 0 0 378.472 4.524 50 0 biogenic GJAARN C[C@H]1Cc2ccccc2N1C(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000252444236 570957545 /nfs/dbraw/zinc/95/75/45/570957545.db2.gz XNNWXFLRPFDFMK-JXFKEZNVSA-N 0 0 391.540 4.801 50 0 GJAARN CCc1cc(-c2csc(S(=O)(=O)N(Cc3ccccc3)C(C)C)c2)on1 ZINC000033290289 570958249 /nfs/dbraw/zinc/95/82/49/570958249.db2.gz BJGMFSMKXRVIJP-UHFFFAOYSA-N 0 0 390.530 4.565 50 0 GJAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)c1ccccc1 ZINC000004125060 570960234 /nfs/dbraw/zinc/96/02/34/570960234.db2.gz DAHAMHYTDZZKBE-UHFFFAOYSA-N 0 0 380.517 4.502 50 0 GJAARN CCC(=O)N1CCC(n2c3ccc(C(F)(F)F)cc3nc2C2CCC2)CC1 ZINC000012150157 570960622 /nfs/dbraw/zinc/96/06/22/570960622.db2.gz UXIOIDKCFBXYCF-UHFFFAOYSA-N 0 0 379.426 4.896 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c(C)s2)n1 ZINC000033289999 570960842 /nfs/dbraw/zinc/96/08/42/570960842.db2.gz GHNYPQUFHPOGLK-LBPRGKRZSA-N 0 0 390.555 4.628 50 0 GJAARN Cc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1C ZINC000033298225 570962566 /nfs/dbraw/zinc/96/25/66/570962566.db2.gz AKPRENBIZJOCMK-UHFFFAOYSA-N 0 0 391.452 4.796 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2s1 ZINC000033298845 570962930 /nfs/dbraw/zinc/96/29/30/570962930.db2.gz PPXOVKUCZXUFOR-UHFFFAOYSA-N 0 0 378.544 4.826 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 ZINC000047536402 570963398 /nfs/dbraw/zinc/96/33/98/570963398.db2.gz LFGYXQULHJAUNL-IBGZPJMESA-N 0 0 379.485 4.521 50 0 GJAARN Cc1nn(-c2nc(C)cc(C)n2)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000170643182 570964794 /nfs/dbraw/zinc/96/47/94/570964794.db2.gz VEYMJEUAXZGHGI-UHFFFAOYSA-N 0 0 398.470 4.583 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2[C@@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000012699949 570965734 /nfs/dbraw/zinc/96/57/34/570965734.db2.gz JTPRPTRNEKVBLP-BBRMVZONSA-N 0 0 385.489 4.713 50 0 GJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000001364282 570965784 /nfs/dbraw/zinc/96/57/84/570965784.db2.gz OZTGQDLSVFQODS-UHFFFAOYSA-N 0 0 393.443 4.701 50 0 GJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(C)cc2C)[C@H](C)C(C)C)n1 ZINC000106597438 570966570 /nfs/dbraw/zinc/96/65/70/570966570.db2.gz XJEKSRRLXRJKJU-RTBURBONSA-N 0 0 385.552 4.866 50 0 GJAARN CCc1ccc2nc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)sc2c1 ZINC000083825553 570966964 /nfs/dbraw/zinc/96/69/64/570966964.db2.gz AMWSLYMSSOCWRQ-ZBFHGGJFSA-N 0 0 385.489 4.572 50 0 GJAARN O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)C1CCC1 ZINC000033307394 570967612 /nfs/dbraw/zinc/96/76/12/570967612.db2.gz ZOXPCPYILBERGG-UHFFFAOYSA-N 0 0 383.835 4.708 50 0 GJAARN O=C(Nc1cccc(OCc2nnc(-c3ccc(F)cc3)o2)c1)c1ccsc1 ZINC000033307329 570967851 /nfs/dbraw/zinc/96/78/51/570967851.db2.gz WMSNDETXOLUXKF-UHFFFAOYSA-N 0 0 395.415 4.769 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)nc(C)n1 ZINC000012225844 570968049 /nfs/dbraw/zinc/96/80/49/570968049.db2.gz LDZMBYIEOANPPH-UHFFFAOYSA-N 0 0 393.447 4.580 50 0 GJAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)c3ccsc3)cc2)o1 ZINC000033308339 570968330 /nfs/dbraw/zinc/96/83/30/570968330.db2.gz RZPXRUZBTOOBJC-UHFFFAOYSA-N 0 0 391.452 4.938 50 0 GJAARN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000106919182 570968947 /nfs/dbraw/zinc/96/89/47/570968947.db2.gz QWBLPIMTMFGXBJ-HDMKZQKVSA-N 0 0 391.920 4.587 50 0 GJAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1NCc1ccco1 ZINC000011329435 570969234 /nfs/dbraw/zinc/96/92/34/570969234.db2.gz SCYGBOVWJOXPEI-UHFFFAOYSA-N 0 0 381.819 4.550 50 0 GJAARN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1[C@H](C)CCC[C@@H]1c1ccccc1 ZINC000107075818 570970712 /nfs/dbraw/zinc/97/07/12/570970712.db2.gz KDIWGMNOUXGBKU-QFWMQHCXSA-N 0 0 390.527 4.665 50 0 GJAARN 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209382110 /nfs/dbraw/zinc/38/21/10/209382110.db2.gz VOMYVBAZWPCJJP-UHFFFAOYSA-N 0 0 390.439 4.558 50 0 GJAARN CC1(C)C[C@H](NC(=O)c2cccs2)C[C@@](C)(CNC(=O)c2cccs2)C1 ZINC000002745655 209381137 /nfs/dbraw/zinc/38/11/37/209381137.db2.gz POELBCUWPASYPJ-VBKZILBWSA-N 0 0 390.574 4.554 50 0 GJAARN O=C(CSc1nccc(C(F)(F)F)n1)Nc1c(Cl)cccc1Cl ZINC000002730928 209379543 /nfs/dbraw/zinc/37/95/43/209379543.db2.gz XVGCYWOOKIGNNV-UHFFFAOYSA-N 0 0 382.194 4.533 50 0 GJAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000002723703 209379571 /nfs/dbraw/zinc/37/95/71/209379571.db2.gz BCXGAIMRVVWZKO-UHFFFAOYSA-N 0 0 378.284 4.910 50 0 GJAARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)c(Cl)c1 ZINC000002652055 209375256 /nfs/dbraw/zinc/37/52/56/209375256.db2.gz OUGLVAQZEBYAEM-UHFFFAOYSA-N 0 0 389.933 4.873 50 0 GJAARN O=C(COc1ncnc2sccc21)Nc1ccccc1Sc1ccccc1 ZINC000002617646 209371730 /nfs/dbraw/zinc/37/17/30/209371730.db2.gz AXZDXVGAGVHFKY-UHFFFAOYSA-N 0 0 393.493 4.860 50 0 GJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1c1nccs1 ZINC000002424283 209363120 /nfs/dbraw/zinc/36/31/20/209363120.db2.gz GOLCANJEDSPJRR-MRXNPFEDSA-N 0 0 394.839 4.653 50 0 GJAARN CCCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 ZINC000002414575 209362903 /nfs/dbraw/zinc/36/29/03/209362903.db2.gz AWNDSOQAJQYDRA-UHFFFAOYSA-N 0 0 388.471 4.954 50 0 GJAARN CCOc1ccc(-c2nnc(Nc3ccc(C(=O)NC)cc3)c3ccccc32)cc1 ZINC000002374573 209360390 /nfs/dbraw/zinc/36/03/90/209360390.db2.gz MAYJYKUSBGDTIL-UHFFFAOYSA-N 0 0 398.466 4.799 50 0 GJAARN CN(C)c1ccc(-c2nn3c(nnc3-c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000002382561 209359850 /nfs/dbraw/zinc/35/98/50/209359850.db2.gz WDXXGLUNGFXLJN-UHFFFAOYSA-N 0 0 377.517 4.883 50 0 GJAARN CCOc1ccc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1 ZINC000002352418 209358765 /nfs/dbraw/zinc/35/87/65/209358765.db2.gz BMJOWMOPJVFQTM-UHFFFAOYSA-N 0 0 390.468 4.592 50 0 GJAARN Cc1cc(C(=O)C(F)(F)F)c2c3c(C(=O)C(F)(F)F)c(C)c(C)n3ccn12 ZINC000002316881 209355907 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CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3nc2-c2ccccc2)cc1 ZINC000002220674 209350813 /nfs/dbraw/zinc/35/08/13/209350813.db2.gz ASFUEZQZQZWQLY-UHFFFAOYSA-N 0 0 394.434 4.812 50 0 GJAARN CCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 ZINC000002187922 209350005 /nfs/dbraw/zinc/35/00/05/209350005.db2.gz GICPNQHQHSTXJF-SFHVURJKSA-N 0 0 380.473 4.552 50 0 GJAARN Cc1c(O)ccc2c(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cc(=O)oc12 ZINC000002130935 209347717 /nfs/dbraw/zinc/34/77/17/209347717.db2.gz LLCKNYVFVAMTNR-UHFFFAOYSA-N 0 0 389.190 4.887 50 0 biogenic GJAARN CCCOc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)cc1 ZINC000002088216 209346187 /nfs/dbraw/zinc/34/61/87/209346187.db2.gz URMGYZUGWZQGCS-IBGZPJMESA-N 0 0 390.483 4.599 50 0 GJAARN CCCOC(=O)c1c(CC)c(C)sc1NC(=O)COc1cccc(C)c1 ZINC000002091397 209346210 /nfs/dbraw/zinc/34/62/10/209346210.db2.gz HVUONBLWXSRODG-UHFFFAOYSA-N 0 0 375.490 4.512 50 0 GJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccncc1 ZINC000001935440 209342580 /nfs/dbraw/zinc/34/25/80/209342580.db2.gz 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/nfs/dbraw/zinc/33/88/11/209338811.db2.gz DTTUKRUKAFJWQJ-UHFFFAOYSA-N 0 0 375.490 4.648 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000001776916 209338389 /nfs/dbraw/zinc/33/83/89/209338389.db2.gz LTMBLOVOGYXTHT-UHFFFAOYSA-N 0 0 393.439 4.506 50 0 GJAARN COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000010386868 209338068 /nfs/dbraw/zinc/33/80/68/209338068.db2.gz YALOPZYCAFTNIH-UHFFFAOYSA-N 0 0 386.242 4.875 50 0 GJAARN O=C1c2ccccc2SCC12COC(c1cccc(C(F)(F)F)c1)OC2 ZINC000001400255 209326435 /nfs/dbraw/zinc/32/64/35/209326435.db2.gz RKUTZMOUEHOTGF-UHFFFAOYSA-N 0 0 380.387 4.726 50 0 GJAARN COC(=O)c1ccccc1SCC(=O)c1sc(-c2ccccc2)nc1C ZINC000001390118 209325077 /nfs/dbraw/zinc/32/50/77/209325077.db2.gz RTGUDOPWLXZOAO-UHFFFAOYSA-N 0 0 383.494 4.880 50 0 GJAARN CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccs3)C[C@H]21 ZINC000010216133 209322223 /nfs/dbraw/zinc/32/22/23/209322223.db2.gz FMVNODGSQFGOKT-DYESRHJHSA-N 0 0 377.469 4.784 50 0 GJAARN Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000010215382 209321729 /nfs/dbraw/zinc/32/17/29/209321729.db2.gz PZVFKUIUSYFCLE-PZJWPPBQSA-N 0 0 377.831 4.683 50 0 GJAARN Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC000010109473 209321415 /nfs/dbraw/zinc/32/14/15/209321415.db2.gz FHOMUKPODCQVGO-HNNXBMFYSA-N 0 0 386.542 4.775 50 0 GJAARN N[C@@H](Cc1ccccc1)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000001263482 209317967 /nfs/dbraw/zinc/31/79/67/209317967.db2.gz WCXHOKYYRNPCHX-HNNXBMFYSA-N 0 0 380.300 4.911 50 0 GJAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000001432499 209328091 /nfs/dbraw/zinc/32/80/91/209328091.db2.gz ILZZBCGWFBVKKC-UHFFFAOYSA-N 0 0 382.463 4.680 50 0 GJAARN COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccccc3)sc2C)cc1 ZINC000001438308 209327828 /nfs/dbraw/zinc/32/78/28/209327828.db2.gz MVBVXQAUDDRAFJ-UHFFFAOYSA-N 0 0 380.469 4.729 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000001216994 209315265 /nfs/dbraw/zinc/31/52/65/209315265.db2.gz MFYQALGIVVQLPJ-UHFFFAOYSA-N 0 0 389.293 4.994 50 0 GJAARN CCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)s1 ZINC000001199853 209313854 /nfs/dbraw/zinc/31/38/54/209313854.db2.gz IWJCZABUJFOZCX-UHFFFAOYSA-N 0 0 390.468 4.577 50 0 GJAARN C[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N2CCCCC2)C1 ZINC000001188695 209312307 /nfs/dbraw/zinc/31/23/07/209312307.db2.gz JRMFHYVWGZNPQS-HNNXBMFYSA-N 0 0 382.529 4.751 50 0 GJAARN CCCN(CCC)C(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCCC2 ZINC000001188230 209311540 /nfs/dbraw/zinc/31/15/40/209311540.db2.gz SYVJGTDAHXXPAX-UHFFFAOYSA-N 0 0 399.560 4.927 50 0 GJAARN COc1ccccc1N1C(=O)c2ccc(-c3nc4cc(C)ccc4o3)cc2C1=O ZINC000001177744 209311096 /nfs/dbraw/zinc/31/10/96/209311096.db2.gz JTKUDRWJDHLEJV-UHFFFAOYSA-N 0 0 384.391 4.612 50 0 GJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001173952 209309701 /nfs/dbraw/zinc/30/97/01/209309701.db2.gz WTRZHLXIUQRAGJ-UHFFFAOYSA-N 0 0 383.300 4.907 50 0 GJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 ZINC000001171165 209310158 /nfs/dbraw/zinc/31/01/58/209310158.db2.gz OUFOLLKVSGYXNR-LBPRGKRZSA-N 0 0 390.936 4.904 50 0 GJAARN CC1(C)C[C@H]([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 ZINC000001175605 209310213 /nfs/dbraw/zinc/31/02/13/209310213.db2.gz VFBYROKFRKGQQU-RTBURBONSA-N 0 0 377.484 4.662 50 0 GJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 ZINC000001144181 209306645 /nfs/dbraw/zinc/30/66/45/209306645.db2.gz UHSPAWDSQDTKJG-UHFFFAOYSA-N 0 0 390.418 4.519 50 0 GJAARN C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ccccc1)c1ccccc1 ZINC000001141962 209305871 /nfs/dbraw/zinc/30/58/71/209305871.db2.gz KUFZKUBBNWKECX-KRWDZBQOSA-N 0 0 390.508 4.908 50 0 GJAARN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1 ZINC000001144177 209306889 /nfs/dbraw/zinc/30/68/89/209306889.db2.gz AIEWVFVRSMCKDO-UHFFFAOYSA-N 0 0 394.521 4.924 50 0 aggregator GJAARN C[C@@H](NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21)c1ccccc1 ZINC000001116713 209302251 /nfs/dbraw/zinc/30/22/51/209302251.db2.gz PVUILLSLYOZJQW-GOSISDBHSA-N 0 0 382.463 4.750 50 0 GJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1cccc2ccccc21 ZINC000001096063 209299708 /nfs/dbraw/zinc/29/97/08/209299708.db2.gz WNEPVFNUQUNAFL-UHFFFAOYSA-N 0 0 375.497 4.567 50 0 GJAARN O=C(Nc1ccc(I)cc1)/C(Cl)=C/c1ccccc1 ZINC000001087143 209299870 /nfs/dbraw/zinc/29/98/70/209299870.db2.gz KKLNCCUHMSQIFH-UVTDQMKNSA-N 0 0 383.616 4.510 50 0 GJAARN Cc1cc(C)n(C(=O)c2cc(-c3ccccn3)nc3c(C)c(Cl)ccc23)n1 ZINC000001073527 209296683 /nfs/dbraw/zinc/29/66/83/209296683.db2.gz JCGQWUAETVQUJF-UHFFFAOYSA-N 0 0 376.847 4.760 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000001074467 209296261 /nfs/dbraw/zinc/29/62/61/209296261.db2.gz ZTGIPGHXBWJLPX-UHFFFAOYSA-N 0 0 378.453 4.912 50 0 GJAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000009708221 209294320 /nfs/dbraw/zinc/29/43/20/209294320.db2.gz PGLJJXDAPXPYOJ-LJQANCHMSA-N 0 0 384.451 4.560 50 0 GJAARN Fc1cccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)c1 ZINC000001041259 209292733 /nfs/dbraw/zinc/29/27/33/209292733.db2.gz NTMCDQOJDGSPSR-UHFFFAOYSA-N 0 0 394.413 4.592 50 0 GJAARN COc1c(Cl)cc(Cl)c(OC)c1NC(=S)Nc1ccc(F)cc1 ZINC000001042484 209292547 /nfs/dbraw/zinc/29/25/47/209292547.db2.gz SMAWOGUSQMQQKY-UHFFFAOYSA-N 0 0 375.252 4.959 50 0 GJAARN Cc1cc2ncc(-c3ccn(S(=O)(=O)c4ccc(Cl)cc4)c3)nc2cc1C ZINC000001044669 209292597 /nfs/dbraw/zinc/29/25/97/209292597.db2.gz FEMQVKHNPHVYFE-UHFFFAOYSA-N 0 0 397.887 4.606 50 0 GJAARN O=C(Nc1ccc(Oc2ncnc3cc(Cl)ccc32)nc1)c1ccccc1 ZINC000001033368 209291455 /nfs/dbraw/zinc/29/14/55/209291455.db2.gz XRRJNRZWPPGIKI-UHFFFAOYSA-N 0 0 376.803 4.723 50 0 GJAARN COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)c2cccs2)cc1 ZINC000001035627 209291044 /nfs/dbraw/zinc/29/10/44/209291044.db2.gz AZXOSZOXKFBQGD-KNQAVFIVSA-N 0 0 388.492 4.921 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000001037997 209290881 /nfs/dbraw/zinc/29/08/81/209290881.db2.gz PNAIXJPNAVCLSY-LLVKDONJSA-N 0 0 380.271 4.770 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c1 ZINC000001022869 209290340 /nfs/dbraw/zinc/29/03/40/209290340.db2.gz JOHHLSCSGVHOAC-QFIPXVFZSA-N 0 0 388.467 4.642 50 0 biogenic GJAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1cccnc1 ZINC000001023488 209289696 /nfs/dbraw/zinc/28/96/96/209289696.db2.gz QOWRMFBXXDITMF-UHFFFAOYSA-N 0 0 397.862 4.866 50 0 GJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001012814 209289469 /nfs/dbraw/zinc/28/94/69/209289469.db2.gz NWRADDXWJURPSO-UNOMPAQXSA-N 0 0 394.496 4.793 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)o1)C[C@@H](C(C)(C)C)CC2 ZINC000000995173 209287600 /nfs/dbraw/zinc/28/76/00/209287600.db2.gz YKJJGJIVGZADAN-LBPRGKRZSA-N 0 0 375.490 4.839 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)c3cnccn3)c2C(=O)OC(C)C)cc1 ZINC000001002530 209287415 /nfs/dbraw/zinc/28/74/15/209287415.db2.gz XAIGYMMXNKDJSL-UHFFFAOYSA-N 0 0 395.484 4.585 50 0 GJAARN O=C(c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)N1CCOCC1 ZINC000000998597 209287352 /nfs/dbraw/zinc/28/73/52/209287352.db2.gz ZUSFIWSBBRJAAE-UHFFFAOYSA-N 0 0 387.266 4.681 50 0 GJAARN CC[C@@H](OC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000000991670 209286483 /nfs/dbraw/zinc/28/64/83/209286483.db2.gz NNTLUHREARCXAS-OAQYLSRUSA-N 0 0 387.435 4.757 50 0 GJAARN CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OC2CCCCC2)=C1C ZINC000000970934 209284415 /nfs/dbraw/zinc/28/44/15/209284415.db2.gz IFLGLMVDKFNWCR-SFHVURJKSA-N 0 0 376.884 4.576 50 0 GJAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000000947522 209282042 /nfs/dbraw/zinc/28/20/42/209282042.db2.gz TVMQEFMXKYZLHC-UHFFFAOYSA-N 0 0 394.780 4.758 50 0 GJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(Cl)cc1C ZINC000000949616 209282380 /nfs/dbraw/zinc/28/23/80/209282380.db2.gz KILJJMXGMHNCJO-UHFFFAOYSA-N 0 0 398.846 4.904 50 0 GJAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC ZINC000000944765 209282429 /nfs/dbraw/zinc/28/24/29/209282429.db2.gz WAWMHQPHUKEMFT-RIYZIHGNSA-N 0 0 380.488 4.736 50 0 GJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(Cl)c1 ZINC000000949595 209282295 /nfs/dbraw/zinc/28/22/95/209282295.db2.gz CZQKDEQZZGMNRL-UHFFFAOYSA-N 0 0 384.819 4.595 50 0 GJAARN O=c1oc2c(ccc3c2CN(c2cccc(C(F)(F)F)c2)CO3)c2c1CCC2 ZINC000000939287 209280848 /nfs/dbraw/zinc/28/08/48/209280848.db2.gz BQTBDIDKHKEUMT-UHFFFAOYSA-N 0 0 387.357 4.657 50 0 GJAARN COc1ccccc1OCCn1cc(C(=S)N2CCCC2)c2ccccc21 ZINC000000920434 209279511 /nfs/dbraw/zinc/27/95/11/209279511.db2.gz KTRFKBHRPWKTOL-UHFFFAOYSA-N 0 0 380.513 4.500 50 0 GJAARN Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)c1 ZINC000009625627 209278713 /nfs/dbraw/zinc/27/87/13/209278713.db2.gz OOSJFRPYYBZPOP-UHFFFAOYSA-N 0 0 398.463 4.724 50 0 GJAARN O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)-c1cccc3cccc-2c13 ZINC000009521515 209275832 /nfs/dbraw/zinc/27/58/32/209275832.db2.gz GXXPLJRUJUMRGZ-UHFFFAOYSA-N 0 0 386.432 4.854 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000000871592 209274735 /nfs/dbraw/zinc/27/47/35/209274735.db2.gz LCQVRNLJPLTZRY-ZCOIRKDISA-N 0 0 393.486 4.643 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccnc1 ZINC000000848960 209271694 /nfs/dbraw/zinc/27/16/94/209271694.db2.gz KRXCZRLUXXDDEJ-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN c1ccc2oc(SCc3nc4c5c6c(sc5ncn4n3)CCCC6)nc2c1 ZINC000000846147 209271622 /nfs/dbraw/zinc/27/16/22/209271622.db2.gz HVRFWLZCCRFAFS-UHFFFAOYSA-N 0 0 393.497 4.651 50 0 GJAARN Cc1ccc(Nc2nc(=NN)nc(N(c3ccccc3)c3ccccc3)[nH]2)cc1 ZINC000000850706 209271390 /nfs/dbraw/zinc/27/13/90/209271390.db2.gz KDWFNWCBWBUZGK-UHFFFAOYSA-N 0 0 383.459 4.679 50 0 GJAARN Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@]2(C)C1=O ZINC000000828227 209270617 /nfs/dbraw/zinc/27/06/17/209270617.db2.gz UMTHBAXVVOYZLI-KCRWFKQWSA-N 0 0 379.459 4.782 50 0 GJAARN O=C(Nc1ccccc1)c1c2c(sc1NC(=O)C(F)(F)F)CCCCC2 ZINC000000837675 209270687 /nfs/dbraw/zinc/27/06/87/209270687.db2.gz PRBJMPPJVJEDLT-UHFFFAOYSA-N 0 0 382.407 4.770 50 0 GJAARN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)cc1Cl ZINC000000825359 209269137 /nfs/dbraw/zinc/26/91/37/209269137.db2.gz ICRIREKSWKGQNX-UHFFFAOYSA-N 0 0 375.207 4.808 50 0 GJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000000812061 209268420 /nfs/dbraw/zinc/26/84/20/209268420.db2.gz PRVLLHHEUALTPP-UHFFFAOYSA-N 0 0 394.427 4.580 50 0 GJAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cc1)c1ccco1 ZINC000000823297 209269462 /nfs/dbraw/zinc/26/94/62/209269462.db2.gz PTNDQCPAXLWPCH-UHFFFAOYSA-N 0 0 385.217 4.547 50 0 GJAARN COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl ZINC000000756743 209264145 /nfs/dbraw/zinc/26/41/45/209264145.db2.gz WZOZHIFJAHRPDL-UHFFFAOYSA-N 0 0 386.242 4.875 50 0 GJAARN O=S(=O)(c1ccc(Cl)cc1)n1c2ccccc2nc1Cc1ccccc1 ZINC000000755154 209263847 /nfs/dbraw/zinc/26/38/47/209263847.db2.gz WRQLCQPXWGGGJE-UHFFFAOYSA-N 0 0 382.872 4.518 50 0 GJAARN COc1ccc(CCNc2nc(C)nc3sc4c(c32)CCCC4)cc1OC ZINC000000710244 209262014 /nfs/dbraw/zinc/26/20/14/209262014.db2.gz BPOZXJJERGVQBT-UHFFFAOYSA-N 0 0 383.517 4.550 50 0 GJAARN O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 ZINC000000717748 209261456 /nfs/dbraw/zinc/26/14/56/209261456.db2.gz UCYKFZZLWMXGLP-SFTDATJTSA-N 0 0 393.826 4.604 50 0 GJAARN CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000000680920 209259630 /nfs/dbraw/zinc/25/96/30/209259630.db2.gz TUPNTLOORWAEQU-GFCCVEGCSA-N 0 0 376.909 4.989 50 0 GJAARN CCCc1cc(C(=O)OC)c(NC(=O)c2ccc(Br)cc2)s1 ZINC000000681633 209259393 /nfs/dbraw/zinc/25/93/93/209259393.db2.gz PKADMKUFTLRONT-UHFFFAOYSA-N 0 0 382.279 4.502 50 0 GJAARN Cc1cc(OCC(=O)NCc2ccccc2)c(C(C)C)cc1Br ZINC000000674712 209257736 /nfs/dbraw/zinc/25/77/36/209257736.db2.gz HSQMYUHJRKUDJS-UHFFFAOYSA-N 0 0 376.294 4.576 50 0 GJAARN COc1ccc(CCNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000674222 209257815 /nfs/dbraw/zinc/25/78/15/209257815.db2.gz MKMYSENFQGJGPQ-QFIPXVFZSA-N 0 0 377.509 4.888 50 0 biogenic GJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccc(OC(C)C)cc1)c2=O ZINC000000630457 209252848 /nfs/dbraw/zinc/25/28/48/209252848.db2.gz KTNSUELVXKUIRL-OAHLLOKOSA-N 0 0 396.439 4.578 50 0 biogenic GJAARN CC(C)(C)c1ccc(-c2nn3c(nnc3[C@H]3COc4ccccc4O3)s2)cc1 ZINC000000641699 209254516 /nfs/dbraw/zinc/25/45/16/209254516.db2.gz XKENYPSNHOWLLO-QGZVFWFLSA-N 0 0 392.484 4.663 50 0 GJAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 ZINC000000631192 209252707 /nfs/dbraw/zinc/25/27/07/209252707.db2.gz AEKBBMOXLXIZAP-IAGOWNOFSA-N 0 0 375.259 4.740 50 0 GJAARN COc1ccc2cc([C@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000000644936 209253781 /nfs/dbraw/zinc/25/37/81/209253781.db2.gz HSIVGVMQAPYDKZ-QGZVFWFLSA-N 0 0 385.876 4.656 50 0 GJAARN Cc1ccc(C(=O)N[C@H](Nc2ccccc2Cl)C(=O)c2ccccc2)cc1 ZINC000000622978 209250613 /nfs/dbraw/zinc/25/06/13/209250613.db2.gz VROMYFMJSQIRBJ-NRFANRHFSA-N 0 0 378.859 4.699 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000622544 209249872 /nfs/dbraw/zinc/24/98/72/209249872.db2.gz WXDRZCJOHRWFQC-UHFFFAOYSA-N 0 0 389.517 4.857 50 0 GJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1c(F)cccc1Cl ZINC000009036452 209246238 /nfs/dbraw/zinc/24/62/38/209246238.db2.gz QOIFTVCGAITZDW-UHFFFAOYSA-N 0 0 398.821 4.523 50 0 GJAARN Cc1cccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 ZINC000097003057 209241334 /nfs/dbraw/zinc/24/13/34/209241334.db2.gz ZYLCZKKVSWLFDL-MHWRWJLKSA-N 0 0 387.867 4.653 50 0 GJAARN COc1cccc(C(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)c1 ZINC000004340749 209232000 /nfs/dbraw/zinc/23/20/00/209232000.db2.gz WOQUQZNORIGTHJ-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 GJAARN Clc1cccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)c1 ZINC000263619523 209227073 /nfs/dbraw/zinc/22/70/73/209227073.db2.gz ZBVZRWLPOFCLER-QGZVFWFLSA-N 0 0 378.819 4.525 50 0 GJAARN CCOC(=O)[C@H](Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1)c1ccccc1 ZINC000001463667 209226975 /nfs/dbraw/zinc/22/69/75/209226975.db2.gz GWERSLRYECUVEB-OAQYLSRUSA-N 0 0 396.439 4.990 50 0 GJAARN CSc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 ZINC000263619658 209226445 /nfs/dbraw/zinc/22/64/45/209226445.db2.gz ZVDLUDIIBCPEQJ-IBGZPJMESA-N 0 0 390.468 4.594 50 0 GJAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)c1 ZINC000263617107 209226041 /nfs/dbraw/zinc/22/60/41/209226041.db2.gz MCPQJYLEFRYBOD-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253399621 209218368 /nfs/dbraw/zinc/21/83/68/209218368.db2.gz DDIZOKWVWWLUTN-GOSISDBHSA-N 0 0 384.387 4.607 50 0 biogenic GJAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)CC[C@H]3c2ccccc2)c1 ZINC000239433522 209213559 /nfs/dbraw/zinc/21/35/59/209213559.db2.gz XVJHDDGBRLQPNR-CXSMSNRLSA-N 0 0 395.502 5.462 50 0 GJAARN CCOC(=O)c1csc(-n2nc(/C=C/c3ccccc3)cc2C(F)(F)F)n1 ZINC000006892125 212070071 /nfs/dbraw/zinc/07/00/71/212070071.db2.gz KJOBXZOOJKOROF-CMDGGOBGSA-N 0 0 393.390 4.695 50 0 GJAARN COc1ccc(Cl)cc1-c1cccc(C(=O)N(C)[C@H](C)c2nc(C)no2)c1 ZINC000299803196 212041545 /nfs/dbraw/zinc/04/15/45/212041545.db2.gz ZTMZAGQRVFPCER-GFCCVEGCSA-N 0 0 385.851 4.540 50 0 GJAARN S=C(N=c1nc(-c2ccccc2)n(-c2ccccc2)s1)Nc1ccccc1 ZINC000334157327 212043114 /nfs/dbraw/zinc/04/31/14/212043114.db2.gz HFZBTCXFGRBKCG-UHFFFAOYSA-N 0 0 388.521 4.899 50 0 GJAARN CCCN(CC1CC1)C(=O)c1cccc(-c2cccc(-c3nnc(C)o3)c2)c1 ZINC000299782685 212037659 /nfs/dbraw/zinc/03/76/59/212037659.db2.gz NEIZCNQJGDCEDW-UHFFFAOYSA-N 0 0 375.472 4.974 50 0 GJAARN Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000299800452 212040643 /nfs/dbraw/zinc/04/06/43/212040643.db2.gz VWXNSCGPMZBIBR-IBGZPJMESA-N 0 0 377.444 4.564 50 0 GJAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000299769755 212035564 /nfs/dbraw/zinc/03/55/64/212035564.db2.gz UJNFDIIDVIBLHJ-QGZVFWFLSA-N 0 0 376.504 4.593 50 0 GJAARN O=C(c1cc(Cc2cccc3ccccc32)no1)N1CCC[C@H]1c1nccs1 ZINC000299756568 212030973 /nfs/dbraw/zinc/03/09/73/212030973.db2.gz HJALJNPMIBIKTR-IBGZPJMESA-N 0 0 389.480 4.852 50 0 GJAARN C[C@@H](O)c1nc2cc(-c3cccc(C(=O)NC4CCCCCC4)c3)ccc2[nH]1 ZINC000299764401 212032252 /nfs/dbraw/zinc/03/22/52/212032252.db2.gz SKOQZWIDHXQMIM-OAHLLOKOSA-N 0 0 377.488 4.736 50 0 GJAARN Cc1nc(C(=O)Nc2ccc3ccccc3c2)nn1-c1ccc(OC(F)F)cc1 ZINC000261490530 212029279 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O=C(CCCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000263617489 203821327 /nfs/dbraw/zinc/82/13/27/203821327.db2.gz NZYQTCUKDMFUBE-IBGZPJMESA-N 0 0 379.435 4.562 50 0 GJAARN COc1ccc(-c2cc3ccc(OC(=O)c4cccs4)cc3oc2=O)cc1 ZINC000001317653 203822452 /nfs/dbraw/zinc/82/24/52/203822452.db2.gz IXXRIJAZEFXWGK-UHFFFAOYSA-N 0 0 378.405 4.749 50 0 GJAARN CCN(CC)C(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccc(OC)cc1)c2=O ZINC000002410626 203824128 /nfs/dbraw/zinc/82/41/28/203824128.db2.gz VLTIJWRPGBLGKK-UHFFFAOYSA-N 0 0 397.427 4.743 50 0 GJAARN Cc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1-c1ccccc1 ZINC000000667083 203846600 /nfs/dbraw/zinc/84/66/00/203846600.db2.gz UCKVMTLKGJWUSU-UHFFFAOYSA-N 0 0 383.864 4.571 50 0 GJAARN CCc1ccc(Nc2nnc(-c3cc4cc(OC)ccc4oc3=O)s2)cc1 ZINC000001167727 203892476 /nfs/dbraw/zinc/89/24/76/203892476.db2.gz JDEXQKGDDPCIDN-UHFFFAOYSA-N 0 0 379.441 4.626 50 0 GJAARN O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccccc2F)CC1 ZINC000000702920 203848988 /nfs/dbraw/zinc/84/89/88/203848988.db2.gz LNGLPJHWQBXTLC-UHFFFAOYSA-N 0 0 392.858 4.795 50 0 GJAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)cc1 ZINC000000807937 203854974 /nfs/dbraw/zinc/85/49/74/203854974.db2.gz PGRKUTHGAIQXDD-UHFFFAOYSA-N 0 0 390.464 4.581 50 0 GJAARN CCn1c2ccccc2nc1-c1nonc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000000884839 203862676 /nfs/dbraw/zinc/86/26/76/203862676.db2.gz QPTWXAVLOZYPNQ-UHFFFAOYSA-N 0 0 389.459 4.656 50 0 GJAARN O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(SC(F)F)cc1 ZINC000000943152 203866990 /nfs/dbraw/zinc/86/69/90/203866990.db2.gz WWOWNVJLGWFXMB-UHFFFAOYSA-N 0 0 392.452 4.950 50 0 GJAARN Cc1ccc(-c2cc(Cc3cccn3-c3ccc(Cl)cc3)c(=O)[nH]n2)cc1 ZINC000001032566 203874035 /nfs/dbraw/zinc/87/40/35/203874035.db2.gz ZNTAPJAFVLOHNN-UHFFFAOYSA-N 0 0 375.859 4.780 50 0 GJAARN CC(C)Oc1cccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)c1 ZINC000001073493 203881041 /nfs/dbraw/zinc/88/10/41/203881041.db2.gz WBLWNPQUEAWXDO-UHFFFAOYSA-N 0 0 391.496 4.522 50 0 GJAARN Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000001099468 203883199 /nfs/dbraw/zinc/88/31/99/203883199.db2.gz MLNLTPYEEWMPGE-UHFFFAOYSA-N 0 0 382.529 4.788 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(Br)c1OC ZINC000001097584 203883550 /nfs/dbraw/zinc/88/35/50/203883550.db2.gz YYXRVOBGAKJLIL-ZDUSSCGKSA-N 0 0 390.277 4.557 50 0 GJAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(Br)c1 ZINC000001094362 203883570 /nfs/dbraw/zinc/88/35/70/203883570.db2.gz HONOFNXCXVQDBX-UHFFFAOYSA-N 0 0 379.685 4.955 50 0 GJAARN O[C@@H](COc1cccc2ccccc21)Cn1c2ccccc2nc1C(F)(F)F ZINC000001153246 203890660 /nfs/dbraw/zinc/89/06/60/203890660.db2.gz LUMBOCVPJHRQMQ-OAHLLOKOSA-N 0 0 386.373 4.648 50 0 GJAARN O=C(CSCc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000001428441 203909209 /nfs/dbraw/zinc/90/92/09/203909209.db2.gz PBZZRXSAKWPBBS-UHFFFAOYSA-N 0 0 394.471 4.950 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(C)cc1 ZINC000001903867 203922038 /nfs/dbraw/zinc/92/20/38/203922038.db2.gz VWOOEZHFTONAOD-UHFFFAOYSA-N 0 0 375.490 4.593 50 0 GJAARN CCCSc1nnc2c(n1)O[C@H](c1ccccc1OCC)Nc1ccccc1-2 ZINC000002095798 203927793 /nfs/dbraw/zinc/92/77/93/203927793.db2.gz OASXHIVHHDGWLP-LJQANCHMSA-N 0 0 394.500 4.943 50 0 GJAARN O=C1[C@H]2CS[C@H](c3ccccc3F)N2C(=O)N1c1cccc2ccccc21 ZINC000002314650 203938250 /nfs/dbraw/zinc/93/82/50/203938250.db2.gz RFNCHPMIEVCHSK-UYAOXDASSA-N 0 0 378.428 4.562 50 0 GJAARN Cc1nnc2sc(-c3ccc(C)c(NCc4c(F)cccc4Cl)c3)nn12 ZINC000002362993 203940093 /nfs/dbraw/zinc/94/00/93/203940093.db2.gz YGMSKMQPOMMMKE-UHFFFAOYSA-N 0 0 387.871 4.874 50 0 GJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccccc3Cl)cc12 ZINC000002414805 203943229 /nfs/dbraw/zinc/94/32/29/203943229.db2.gz KETXANWYTLJIPT-UHFFFAOYSA-N 0 0 381.888 4.979 50 0 GJAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000002769816 203961717 /nfs/dbraw/zinc/96/17/17/203961717.db2.gz PEQOMWAJJTZDBW-UHFFFAOYSA-N 0 0 382.316 4.831 50 0 GJAARN Cc1sc2ncn3nc(-c4ccc(COCC(F)(F)F)cc4)nc3c2c1C ZINC000002790131 203963781 /nfs/dbraw/zinc/96/37/81/203963781.db2.gz URQFOWZPLULIGJ-UHFFFAOYSA-N 0 0 392.406 4.702 50 0 GJAARN CCc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002843740 203966890 /nfs/dbraw/zinc/96/68/90/203966890.db2.gz KTBPQQYECIRJLK-ROUUACIJSA-N 0 0 383.293 4.749 50 0 GJAARN Fc1ccc(-c2ccc(-c3nn4c(Cc5ccccc5)nnc4s3)o2)cc1 ZINC000002860635 203969400 /nfs/dbraw/zinc/96/94/00/203969400.db2.gz HIOWQLJTBPVIKY-UHFFFAOYSA-N 0 0 376.416 4.843 50 0 GJAARN COc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000002931028 203975396 /nfs/dbraw/zinc/97/53/96/203975396.db2.gz ABSFELDTTNHOFD-UHFFFAOYSA-N 0 0 391.452 4.655 50 0 GJAARN CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000003005749 203979655 /nfs/dbraw/zinc/97/96/55/203979655.db2.gz WTBUZKRGNQVSDC-OAQYLSRUSA-N 0 0 397.515 4.742 50 0 GJAARN Cc1ccc([C@H]2C(=O)N(C3CCCC3)CC(=O)N2C2CCCCCCC2)cc1 ZINC000003039838 203982173 /nfs/dbraw/zinc/98/21/73/203982173.db2.gz YJNSFABFHSURET-QHCPKHFHSA-N 0 0 382.548 4.762 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000003137724 203987389 /nfs/dbraw/zinc/98/73/89/203987389.db2.gz SOTJOHGVRILORT-UHFFFAOYSA-N 0 0 392.311 4.566 50 0 GJAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000002493300 203948168 /nfs/dbraw/zinc/94/81/68/203948168.db2.gz MLLRBRIOUJSQNQ-NRFANRHFSA-N 0 0 382.419 4.555 50 0 GJAARN CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003282059 203994339 /nfs/dbraw/zinc/99/43/39/203994339.db2.gz DIFCRKFVSISTMF-GFCCVEGCSA-N 0 0 396.270 4.965 50 0 GJAARN COc1ccc(C)cc1-n1nnnc1SC(c1ccccc1)c1ccccc1 ZINC000002655544 203954183 /nfs/dbraw/zinc/95/41/83/203954183.db2.gz QTOQLNIPBURWBA-UHFFFAOYSA-N 0 0 388.496 4.861 50 0 GJAARN C[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000004399809 204043336 /nfs/dbraw/zinc/04/33/36/204043336.db2.gz SMTHNRGBDWWTEJ-USTZCAOPSA-N 0 0 386.540 4.991 50 0 GJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000004312933 204038509 /nfs/dbraw/zinc/03/85/09/204038509.db2.gz GVYVJCZRZCFCBD-GOSISDBHSA-N 0 0 387.505 4.505 50 0 GJAARN CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(NC(C)=O)cc1 ZINC000004342281 204039135 /nfs/dbraw/zinc/03/91/35/204039135.db2.gz WEWSDMDACRHQHW-UHFFFAOYSA-N 0 0 377.444 4.730 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c1 ZINC000004330916 204039400 /nfs/dbraw/zinc/03/94/00/204039400.db2.gz ZFDHFWAAMCCQPP-UHFFFAOYSA-N 0 0 383.256 4.873 50 0 GJAARN COc1ccc(OC)c(NCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000003306374 203996349 /nfs/dbraw/zinc/99/63/49/203996349.db2.gz VKBHVKHEVQUUCQ-UHFFFAOYSA-N 0 0 389.666 4.715 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000003346775 204000100 /nfs/dbraw/zinc/00/01/00/204000100.db2.gz PEEGWUVYHSBUCL-KRWDZBQOSA-N 0 0 388.467 4.907 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000003344898 204000337 /nfs/dbraw/zinc/00/03/37/204000337.db2.gz QRAFEZOPXZCRKO-UHFFFAOYSA-N 0 0 391.496 4.986 50 0 GJAARN CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)c2c[nH]c3ccccc32)cc1 ZINC000003349405 204000586 /nfs/dbraw/zinc/00/05/86/204000586.db2.gz DIQHAXNBJCSTMM-NRFANRHFSA-N 0 0 375.516 4.672 50 0 GJAARN CC(C)Oc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 ZINC000004375378 204042081 /nfs/dbraw/zinc/04/20/81/204042081.db2.gz FZKMDXISJYFOQC-UHFFFAOYSA-N 0 0 384.476 4.709 50 0 GJAARN COc1ccc(/C=C/C(=O)OCCCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000003361569 204001586 /nfs/dbraw/zinc/00/15/86/204001586.db2.gz JKCRZXOIDRTLKO-FMIVXFBMSA-N 0 0 381.472 4.596 50 0 GJAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(-c2ccccc2)cc1 ZINC000003376985 204002558 /nfs/dbraw/zinc/00/25/58/204002558.db2.gz WMOHSUSPRBAWOQ-UHFFFAOYSA-N 0 0 377.425 4.727 50 0 GJAARN Cc1cc(C(=O)COC(=O)c2ccc3ncsc3c2)c(C)n1CCC(C)C ZINC000003416698 204005344 /nfs/dbraw/zinc/00/53/44/204005344.db2.gz QPDCMUUORYILOA-UHFFFAOYSA-N 0 0 384.501 4.800 50 0 GJAARN COc1ccccc1CN(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003410490 204005518 /nfs/dbraw/zinc/00/55/18/204005518.db2.gz DLNYVZNNBGIUAQ-UHFFFAOYSA-N 0 0 376.456 4.558 50 0 GJAARN Cc1sc2nc(C)nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)c2c1C ZINC000003422335 204005640 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COc1ccc(C(C)=O)cc1COc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000003597448 204014604 /nfs/dbraw/zinc/01/46/04/204014604.db2.gz NVZQNDNCWGELDP-LBPRGKRZSA-N 0 0 382.485 4.606 50 0 GJAARN Cc1sc2ncnc(SCC(=O)N[C@@H]3CCCc4ccccc43)c2c1C ZINC000003604190 204015949 /nfs/dbraw/zinc/01/59/49/204015949.db2.gz DLHFLUVPACBSRY-MRXNPFEDSA-N 0 0 383.542 4.594 50 0 GJAARN CCCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 ZINC000003638676 204016816 /nfs/dbraw/zinc/01/68/16/204016816.db2.gz WNTCTRGVHTVQEQ-UHFFFAOYSA-N 0 0 388.920 4.509 50 0 GJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccccc1C(F)(F)F ZINC000004003169 204022337 /nfs/dbraw/zinc/02/23/37/204022337.db2.gz WUGTXIAXOUCXNW-UHFFFAOYSA-N 0 0 387.283 4.713 50 0 GJAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCc3ccccc3)c(C)c21 ZINC000004089774 204025994 /nfs/dbraw/zinc/02/59/94/204025994.db2.gz VNNAVWZJNJJULS-UHFFFAOYSA-N 0 0 389.451 4.632 50 0 biogenic GJAARN CCCCCCNC(=O)[C@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004070907 204026081 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Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@H](C)C(C)C ZINC000004975644 204098327 /nfs/dbraw/zinc/09/83/27/204098327.db2.gz ALOOIXLXIAJIJK-QGZVFWFLSA-N 0 0 390.483 4.528 50 0 GJAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3cccs3)sc21 ZINC000005025933 204103942 /nfs/dbraw/zinc/10/39/42/204103942.db2.gz PEBBOJIBAWCNSA-UHFFFAOYSA-N 0 0 387.917 4.947 50 0 GJAARN CC(C)c1ccc(C=CC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005024610 204103997 /nfs/dbraw/zinc/10/39/97/204103997.db2.gz RYEAFGVNLRGSBS-VMPITWQZSA-N 0 0 382.573 4.783 50 0 GJAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C)cc3Br)nc2c1 ZINC000005357746 204127814 /nfs/dbraw/zinc/12/78/14/204127814.db2.gz BJTQMBPWJGOCML-UHFFFAOYSA-N 0 0 390.306 4.673 50 0 GJAARN CC[C@@H](C)NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000005040000 204105577 /nfs/dbraw/zinc/10/55/77/204105577.db2.gz JUUOJCRRITWVOP-LLVKDONJSA-N 0 0 375.494 4.504 50 0 GJAARN Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 ZINC000005054448 204107024 /nfs/dbraw/zinc/10/70/24/204107024.db2.gz 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/nfs/dbraw/zinc/16/18/72/204161872.db2.gz CSHJGENTJGQAQX-UHFFFAOYSA-N 0 0 394.269 4.674 50 0 GJAARN CC(C)c1ccc(S(=O)(=O)n2c3ccccc3nc2Cc2ccccc2)cc1 ZINC000006052186 204163258 /nfs/dbraw/zinc/16/32/58/204163258.db2.gz FFLJNHATXNWFNS-UHFFFAOYSA-N 0 0 390.508 4.988 50 0 GJAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)n1Cc1ccco1 ZINC000006083690 204164493 /nfs/dbraw/zinc/16/44/93/204164493.db2.gz CLOYXVBOEBPYOY-UHFFFAOYSA-N 0 0 397.496 4.726 50 0 GJAARN Cc1ccc(C)c(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 ZINC000006087588 204164924 /nfs/dbraw/zinc/16/49/24/204164924.db2.gz HXEZDQNTSWVGCF-UHFFFAOYSA-N 0 0 392.455 4.764 50 0 GJAARN CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 ZINC000005353056 204128806 /nfs/dbraw/zinc/12/88/06/204128806.db2.gz UWAFXTRHTZSJDV-UHFFFAOYSA-N 0 0 392.330 4.696 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=S)Nc1cccc(Cl)c1C)CC2 ZINC000005421514 204130430 /nfs/dbraw/zinc/13/04/30/204130430.db2.gz SMPJMVILDRQEJN-CYBMUJFWSA-N 0 0 390.936 4.982 50 0 GJAARN Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2cccs2)c(C)c1 ZINC000005451507 204132841 /nfs/dbraw/zinc/13/28/41/204132841.db2.gz KYZSCKKPUBHCAG-HSZRJFAPSA-N 0 0 390.508 4.944 50 0 GJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2cccnc2)N1 ZINC000005447020 204133438 /nfs/dbraw/zinc/13/34/38/204133438.db2.gz AYSVPOOUSGCNNT-FQEVSTJZSA-N 0 0 384.464 4.614 50 0 GJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C(N)=O)C1 ZINC000005454205 204133873 /nfs/dbraw/zinc/13/38/73/204133873.db2.gz VSTHZHPJBSSOBH-FROQITRMSA-N 0 0 386.517 4.633 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 ZINC000005482506 204134193 /nfs/dbraw/zinc/13/41/93/204134193.db2.gz IESSUKUSVGBDPQ-LJQANCHMSA-N 0 0 383.879 4.730 50 0 GJAARN Cc1c(OCC(=O)c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCCC3 ZINC000005543863 204138477 /nfs/dbraw/zinc/13/84/77/204138477.db2.gz YIYFVUHUYAUZNA-UHFFFAOYSA-N 0 0 380.415 4.771 50 0 GJAARN CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)o2)cc1 ZINC000005541223 204139276 /nfs/dbraw/zinc/13/92/76/204139276.db2.gz FHIXWTPZAMDSPE-UHFFFAOYSA-N 0 0 388.828 4.904 50 0 GJAARN COCCNc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn21 ZINC000005560909 204140810 /nfs/dbraw/zinc/14/08/10/204140810.db2.gz VISSUSHVPCNZPF-UHFFFAOYSA-N 0 0 386.499 4.662 50 0 GJAARN CCc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1 ZINC000006790221 204206417 /nfs/dbraw/zinc/20/64/17/204206417.db2.gz MONPYPXBJHMEIS-UHFFFAOYSA-N 0 0 379.441 4.678 50 0 GJAARN COc1ccc2c(c1)[nH]c(C(=O)NC[C@H]1CCCO1)c2Sc1ccc(C)cc1 ZINC000006798912 204206610 /nfs/dbraw/zinc/20/66/10/204206610.db2.gz YJTNFZBIFSXLPM-MRXNPFEDSA-N 0 0 396.512 4.545 50 0 GJAARN O=C([O-])c1c(C[NH2+]CCc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000006803659 204207883 /nfs/dbraw/zinc/20/78/83/204207883.db2.gz SQIRUEZTSYEBHR-UHFFFAOYSA-N 0 0 384.479 4.720 50 0 GJAARN CC[C@H](C(=O)Nc1ccccc1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799284 204208224 /nfs/dbraw/zinc/20/82/24/204208224.db2.gz YFPJRTSJVUUGJR-QGZVFWFLSA-N 0 0 391.496 4.818 50 0 GJAARN Cc1nn([C@H](C)C(=O)Nc2ccccc2Cl)c(=O)c2c3ccccc3sc21 ZINC000006799065 204208559 /nfs/dbraw/zinc/20/85/59/204208559.db2.gz SIUJGFQTSDYAIE-GFCCVEGCSA-N 0 0 397.887 4.773 50 0 GJAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000006806752 204208996 /nfs/dbraw/zinc/20/89/96/204208996.db2.gz JQTBWBHHSZHRNS-INIZCTEOSA-N 0 0 394.490 4.884 50 0 GJAARN COc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)cc3sc(=O)oc32)cc1 ZINC000006809679 204210488 /nfs/dbraw/zinc/21/04/88/204210488.db2.gz UOFSOQUIMNPRLJ-UHFFFAOYSA-N 0 0 396.395 4.888 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)c1nn(C)c2c1CSc1ccccc1-2 ZINC000006817647 204211426 /nfs/dbraw/zinc/21/14/26/204211426.db2.gz BUARREJDRMJBMY-UHFFFAOYSA-N 0 0 399.903 4.916 50 0 GJAARN COc1cccc(-c2c(NC(=O)C3CCCCC3)oc3ccccc3c2=O)c1 ZINC000006815073 204211836 /nfs/dbraw/zinc/21/18/36/204211836.db2.gz SXXYGSJMEKTJMP-UHFFFAOYSA-N 0 0 377.440 4.987 50 0 biogenic GJAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000006836674 204213550 /nfs/dbraw/zinc/21/35/50/204213550.db2.gz KOHJXLNSPXXARN-QFIPXVFZSA-N 0 0 392.455 4.857 50 0 GJAARN CN(C(=O)CSc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000006314088 204173875 /nfs/dbraw/zinc/17/38/75/204173875.db2.gz WNELCZNLCIFABG-UHFFFAOYSA-N 0 0 387.508 4.903 50 0 GJAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000006317502 204174239 /nfs/dbraw/zinc/17/42/39/204174239.db2.gz IEXQWRARCJMNSK-UHFFFAOYSA-N 0 0 396.531 4.618 50 0 GJAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000006341777 204174613 /nfs/dbraw/zinc/17/46/13/204174613.db2.gz QBCCPELRUDFBQK-XXBNENTESA-N 0 0 388.398 4.797 50 0 GJAARN Cc1nc(Cc2nnc(SCc3cc4ccccc4nc3Cl)o2)cs1 ZINC000006879099 204218868 /nfs/dbraw/zinc/21/88/68/204218868.db2.gz GRBFTWBUXLXDHE-UHFFFAOYSA-N 0 0 388.905 4.919 50 0 GJAARN COc1ccc(Br)cc1-c1nc(CSc2nccn2C)cs1 ZINC000006370351 204176295 /nfs/dbraw/zinc/17/62/95/204176295.db2.gz QWUYQWKGVKGIAW-UHFFFAOYSA-N 0 0 396.335 4.607 50 0 GJAARN COC(=O)c1sc2cc(NC(=S)N3CCC(C)CC3)ccc2c1Cl ZINC000006388454 204176862 /nfs/dbraw/zinc/17/68/62/204176862.db2.gz CMILZVZMIJJTGH-UHFFFAOYSA-N 0 0 382.938 4.770 50 0 GJAARN COc1ccc(C=C2CCCC3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000006404146 204176869 /nfs/dbraw/zinc/17/68/69/204176869.db2.gz LWRQTWWJJNMEKW-UEBLJOKOSA-N 0 0 392.524 4.744 50 0 GJAARN COc1ccc(Nc2nnc(SCCOc3ccccc3F)s2)cc1 ZINC000006389064 204177183 /nfs/dbraw/zinc/17/71/83/204177183.db2.gz DQJMTTNEUKUMCK-UHFFFAOYSA-N 0 0 377.466 4.601 50 0 GJAARN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000006880230 204218924 /nfs/dbraw/zinc/21/89/24/204218924.db2.gz IJCOEMYTFJVUBZ-MRXNPFEDSA-N 0 0 375.428 4.628 50 0 GJAARN Cc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)n1 ZINC000006401572 204177661 /nfs/dbraw/zinc/17/76/61/204177661.db2.gz JIBONSHFXCQQJW-UHFFFAOYSA-N 0 0 397.434 4.629 50 0 GJAARN O=C1c2ccccc2C(=CNc2cccc(O)c2)C(=O)N1c1ccccc1Cl ZINC000006455171 204179191 /nfs/dbraw/zinc/17/91/91/204179191.db2.gz DEMZSJLLFIVDNT-QGOAFFKASA-N 0 0 390.826 4.686 50 0 GJAARN C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006462942 204179403 /nfs/dbraw/zinc/17/94/03/204179403.db2.gz PZOFUYODGCGTEA-SECBINFHSA-N 0 0 399.419 4.936 50 0 GJAARN COc1ccc(N2C(=S)N=NC2c2ccc(Br)cc2)cc1Cl ZINC000006476376 204179451 /nfs/dbraw/zinc/17/94/51/204179451.db2.gz YIUWYZDYBPDNBN-UHFFFAOYSA-N 0 0 396.697 4.648 50 0 GJAARN CC(C)CN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)C ZINC000006689380 204191188 /nfs/dbraw/zinc/19/11/88/204191188.db2.gz XQCDZQRBNYVZKB-UHFFFAOYSA-N 0 0 382.335 4.879 50 0 GJAARN O=C(Nc1cccc2ccccc21)C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000006672925 204191758 /nfs/dbraw/zinc/19/17/58/204191758.db2.gz NCRQMTCBVWNPPH-UHFFFAOYSA-N 0 0 398.462 4.633 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)Nc1nc2c(s1)CCCC2 ZINC000006681427 204192152 /nfs/dbraw/zinc/19/21/52/204192152.db2.gz SXNGNHXIMMPQDL-QXMHVHEDSA-N 0 0 396.491 4.615 50 0 GJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)[C@@H](C)CC ZINC000006709291 204192963 /nfs/dbraw/zinc/19/29/63/204192963.db2.gz 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/nfs/dbraw/zinc/19/76/58/204197658.db2.gz HIHKYEOZCFCQCR-UHFFFAOYSA-N 0 0 390.874 4.954 50 0 GJAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000006767166 204201783 /nfs/dbraw/zinc/20/17/83/204201783.db2.gz LYRDVLRAPXKQAG-FQEVSTJZSA-N 0 0 395.890 4.770 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccccc1C)c1ccccc1 ZINC000006887219 204220862 /nfs/dbraw/zinc/22/08/62/204220862.db2.gz FDDDUPLBHZVVAX-JOCHJYFZSA-N 0 0 389.451 4.849 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1ccc(C[S@](=O)c2ccccc2C)o1 ZINC000006895369 204221341 /nfs/dbraw/zinc/22/13/41/204221341.db2.gz LYQZBJBZPXJTAA-HHHXNRCGSA-N 0 0 381.497 4.558 50 0 GJAARN Cc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3C)c2C(=O)[O-])o1 ZINC000006899747 204222288 /nfs/dbraw/zinc/22/22/88/204222288.db2.gz SCTFJJVNOXIUAI-UHFFFAOYSA-N 0 0 388.467 4.887 50 0 GJAARN Fc1ccc([C@H](Nc2ccc3c(c2)OCO3)c2nnc(-c3ccccc3)o2)cc1 ZINC000006914944 204223606 /nfs/dbraw/zinc/22/36/06/204223606.db2.gz RRZYKYUOEPGVSO-FQEVSTJZSA-N 0 0 389.386 4.806 50 0 GJAARN 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O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccc(-c2ccccc2)cc1 ZINC000008189873 204265723 /nfs/dbraw/zinc/26/57/23/204265723.db2.gz IBJOJRKDIRUNCM-UHFFFAOYSA-N 0 0 392.509 4.931 50 0 GJAARN O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008266365 204268544 /nfs/dbraw/zinc/26/85/44/204268544.db2.gz MEAPJUBYENLHIF-QGZVFWFLSA-N 0 0 388.496 4.502 50 0 GJAARN COc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000008275260 204269180 /nfs/dbraw/zinc/26/91/80/204269180.db2.gz QLRZZJPJQOKXDX-UHFFFAOYSA-N 0 0 384.867 4.854 50 0 GJAARN O=C(c1cnc2ccccc2n1)N(CCc1cccs1)Cc1cccs1 ZINC000008313024 204271349 /nfs/dbraw/zinc/27/13/49/204271349.db2.gz HHJLRNOLSMYSCF-UHFFFAOYSA-N 0 0 379.510 4.638 50 0 GJAARN COc1cc(C)c(NC(=O)c2cccnc2Sc2ccccc2)cc1OC ZINC000008328017 204272215 /nfs/dbraw/zinc/27/22/15/204272215.db2.gz XJZCWLVIZYWXDC-UHFFFAOYSA-N 0 0 380.469 4.811 50 0 GJAARN O=C1CCCN1c1ccc(Oc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000008325076 204272527 /nfs/dbraw/zinc/27/25/27/204272527.db2.gz VBOUDAXOKVHXNW-UHFFFAOYSA-N 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COc1ccccc1NC(=O)NCc1cccn1Cc1c(C)cc(C)cc1C ZINC000009723000 204321886 /nfs/dbraw/zinc/32/18/86/204321886.db2.gz FWFJYVOWMUPBLC-UHFFFAOYSA-N 0 0 377.488 4.792 50 0 GJAARN COc1cc(-c2nc3ncccn3c2NC2CCCCCC2)cc(OC)c1OC ZINC000009727014 204322312 /nfs/dbraw/zinc/32/23/12/204322312.db2.gz MNZUQAZFHNQJEK-UHFFFAOYSA-N 0 0 396.491 4.557 50 0 GJAARN C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)n1 ZINC000009740461 204323044 /nfs/dbraw/zinc/32/30/44/204323044.db2.gz HBDIDEYYMNLCRD-GAJHUEQPSA-N 0 0 395.466 4.595 50 0 GJAARN CCCSCCC[NH2+]Cc1c(C)n(Cc2ccccc2F)c(C)c1C(=O)[O-] ZINC000009746641 204323322 /nfs/dbraw/zinc/32/33/22/204323322.db2.gz NSVFNZIQIJMTLR-UHFFFAOYSA-N 0 0 392.540 4.613 50 0 GJAARN COc1ccccc1C[NH2+]Cc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12 ZINC000009740966 204323346 /nfs/dbraw/zinc/32/33/46/204323346.db2.gz UMUZETDOWNSGLB-UHFFFAOYSA-N 0 0 392.480 4.689 50 0 GJAARN CC(C)(C)OC(=O)CSc1nc2ccccc2nc1Cc1ccccc1F ZINC000009777200 204323633 /nfs/dbraw/zinc/32/36/33/204323633.db2.gz 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CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1ccncc1 ZINC000012943320 204469376 /nfs/dbraw/zinc/46/93/76/204469376.db2.gz ADTGVWJXURJVPP-UHFFFAOYSA-N 0 0 377.473 4.616 50 0 GJAARN O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012971978 204471427 /nfs/dbraw/zinc/47/14/27/204471427.db2.gz JJVOZFMAJQQQMG-ZBFHGGJFSA-N 0 0 394.610 4.556 50 0 GJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000013007334 204478452 /nfs/dbraw/zinc/47/84/52/204478452.db2.gz UQYSYLFNDIRCSS-UHFFFAOYSA-N 0 0 377.271 4.614 50 0 GJAARN CCN(CC)C(=O)c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000014119044 204523583 /nfs/dbraw/zinc/52/35/83/204523583.db2.gz OENRDLZPZFTHLB-UHFFFAOYSA-N 0 0 377.488 4.611 50 0 GJAARN Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)c(=O)[nH]c2c1 ZINC000013749928 204512289 /nfs/dbraw/zinc/51/22/89/204512289.db2.gz UDMRBPNATZGWDF-UHFFFAOYSA-N 0 0 382.891 4.931 50 0 GJAARN O=C1NC(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)S1 ZINC000013785909 204513561 /nfs/dbraw/zinc/51/35/61/204513561.db2.gz 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/nfs/dbraw/zinc/78/55/24/204785524.db2.gz DFJMFSXBMPWNDS-LLVKDONJSA-N 0 0 393.455 4.970 50 0 GJAARN CCC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 ZINC000022655115 204786280 /nfs/dbraw/zinc/78/62/80/204786280.db2.gz PRRLZOKSWKYEAW-HJPURHCSSA-N 0 0 397.515 4.623 50 0 GJAARN COc1ccc2c(c1)-c1sc(C(=O)NCCCc3ccccc3)cc1CC2 ZINC000023313282 204802305 /nfs/dbraw/zinc/80/23/05/204802305.db2.gz MUHYXFRTPJTZJU-UHFFFAOYSA-N 0 0 377.509 4.885 50 0 GJAARN Cc1cc(Cl)c(C(C)C)cc1OC(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000024039185 204815923 /nfs/dbraw/zinc/81/59/23/204815923.db2.gz UULTVDBGSXLDOM-UHFFFAOYSA-N 0 0 385.847 4.644 50 0 GJAARN COc1ccc(C(=O)C2CCN(C(=O)c3cc4c(cccc4F)s3)CC2)cc1 ZINC000023038257 204795280 /nfs/dbraw/zinc/79/52/80/204795280.db2.gz VLXZWMYMCADADT-UHFFFAOYSA-N 0 0 397.471 4.784 50 0 GJAARN CCOc1cc(C(=O)Nc2cccc3cccnc32)ccc1OCc1cccnc1 ZINC000023110816 204796391 /nfs/dbraw/zinc/79/63/91/204796391.db2.gz LWKBBAWTPIGJRA-UHFFFAOYSA-N 0 0 399.450 4.860 50 0 GJAARN 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Cc1ccccc1-c1cc(-c2nc(-c3ccc(Br)cc3)no2)n[nH]1 ZINC000046914387 205108781 /nfs/dbraw/zinc/10/87/81/205108781.db2.gz OKANUTOPXOCKHK-UHFFFAOYSA-N 0 0 381.233 4.865 50 0 GJAARN Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCCCCC4)nc3)cc2c1 ZINC000048300326 205119033 /nfs/dbraw/zinc/11/90/33/205119033.db2.gz BAMOUYWWRLBOHF-UHFFFAOYSA-N 0 0 388.515 4.557 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccccc4Cl)c3N)n2)c(C)c1 ZINC000049001865 205123624 /nfs/dbraw/zinc/12/36/24/205123624.db2.gz VXIUDYYPILGTIA-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN COc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)cc1OC ZINC000049006099 205123661 /nfs/dbraw/zinc/12/36/61/205123661.db2.gz PUQPLFAALLQBTO-UHFFFAOYSA-N 0 0 392.278 4.728 50 0 GJAARN COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccc(C)cc3C)cs2)c1N ZINC000049001869 205124004 /nfs/dbraw/zinc/12/40/04/205124004.db2.gz RCFZRRJURLSNRL-UHFFFAOYSA-N 0 0 391.500 4.574 50 0 GJAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3C)C2)c1 ZINC000046045436 205102679 /nfs/dbraw/zinc/10/26/79/205102679.db2.gz MFIOANGIDLTQMZ-QGZVFWFLSA-N 0 0 384.907 4.756 50 0 GJAARN Fc1ccc(CN(Cc2ccncc2)Cc2ccc(C(F)(F)F)nc2)cc1 ZINC000055225043 205145416 /nfs/dbraw/zinc/14/54/16/205145416.db2.gz OKSAFXARSPVAIL-UHFFFAOYSA-N 0 0 375.369 4.837 50 0 GJAARN O=C(Nc1ccccc1Cl)N1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000055384693 205147669 /nfs/dbraw/zinc/14/76/69/205147669.db2.gz NFIRZEZMBRHZDU-UHFFFAOYSA-N 0 0 387.915 4.848 50 0 GJAARN CC[C@H](C)N(Cc1cccnc1)C(=O)c1cccc(NC(=O)c2ccoc2C)c1 ZINC000055568786 205148654 /nfs/dbraw/zinc/14/86/54/205148654.db2.gz JXOJDKUVUKBSKV-INIZCTEOSA-N 0 0 391.471 4.676 50 0 GJAARN COc1nc(C)cc(C)c1CNCc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000055392921 205149818 /nfs/dbraw/zinc/14/98/18/205149818.db2.gz SSSANHKGZCGBFT-UHFFFAOYSA-N 0 0 384.483 4.607 50 0 GJAARN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 ZINC000056223651 205152592 /nfs/dbraw/zinc/15/25/92/205152592.db2.gz KTAWEMTWCVHYTG-JGTBNHKDSA-N 0 0 395.446 4.809 50 0 GJAARN CN(C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000057486684 205158602 /nfs/dbraw/zinc/15/86/02/205158602.db2.gz HDKWHGZPTVIVAZ-UHFFFAOYSA-N 0 0 392.846 4.522 50 0 GJAARN O=c1[nH]c(-c2cccc(O)c2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 ZINC000063837483 205186819 /nfs/dbraw/zinc/18/68/19/205186819.db2.gz NZVYGLNAGGMHSS-UHFFFAOYSA-N 0 0 382.341 4.982 50 0 GJAARN Cc1ccc2c(C(=O)N3CCCC3)cc(-c3cnn(C(C)(C)C)c3)nc2c1C ZINC000063832197 205187297 /nfs/dbraw/zinc/18/72/97/205187297.db2.gz VRULRKCAYDZBDU-UHFFFAOYSA-N 0 0 376.504 4.706 50 0 GJAARN Cc1cc(=O)oc2cc(NCC(=O)N[C@H](C)c3ccc4ccccc4c3)ccc12 ZINC000057661344 205161472 /nfs/dbraw/zinc/16/14/72/205161472.db2.gz AKTBTCHAWBVISF-MRXNPFEDSA-N 0 0 386.451 4.544 50 0 GJAARN CC(=O)c1ccccc1NC(=O)CNc1ccccc1N(C)Cc1ccccc1 ZINC000058008812 205162220 /nfs/dbraw/zinc/16/22/20/205162220.db2.gz DSEFTAMCSORMND-UHFFFAOYSA-N 0 0 387.483 4.576 50 0 GJAARN O=c1c2ccccc2ncn1CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000058159016 205165473 /nfs/dbraw/zinc/16/54/73/205165473.db2.gz FJUREMHJCFPCRJ-UHFFFAOYSA-N 0 0 383.662 4.826 50 0 GJAARN CSc1sc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)nc1C ZINC000058157918 205166516 /nfs/dbraw/zinc/16/65/16/205166516.db2.gz NCAUHCPGKYEDMF-UHFFFAOYSA-N 0 0 378.910 4.573 50 0 GJAARN COc1ccc(-c2noc(CSCc3ccc(F)cc3Cl)n2)c(OC)c1 ZINC000058196266 205167956 /nfs/dbraw/zinc/16/79/56/205167956.db2.gz MLFNDUHWPDHREC-UHFFFAOYSA-N 0 0 394.855 4.980 50 0 GJAARN Cc1nc(CNC(=O)c2ccc(-c3ccccc3F)s2)nc2ccccc12 ZINC000058323865 205171180 /nfs/dbraw/zinc/17/11/80/205171180.db2.gz SHXOQAZCBMYWDB-UHFFFAOYSA-N 0 0 377.444 4.736 50 0 GJAARN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccnc1 ZINC000059324932 205179158 /nfs/dbraw/zinc/17/91/58/205179158.db2.gz NQECPEWBDKEMKM-ZIAGYGMSSA-N 0 0 387.940 4.792 50 0 GJAARN Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000060303673 205180899 /nfs/dbraw/zinc/18/08/99/205180899.db2.gz GHBVDTADAYQQHB-UHFFFAOYSA-N 0 0 385.533 4.546 50 0 GJAARN Cc1ccc(-c2ncc(C(=O)N(C)Cc3nc4ccccc4[nH]3)s2)c(C)c1 ZINC000061375767 205181391 /nfs/dbraw/zinc/18/13/91/205181391.db2.gz XYEXDXUPVDSFBN-UHFFFAOYSA-N 0 0 376.485 4.575 50 0 GJAARN O=C(Nc1nnc(C2CCC2)s1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000061718441 205181964 /nfs/dbraw/zinc/18/19/64/205181964.db2.gz DKAFJBLSFHJZGR-UHFFFAOYSA-N 0 0 387.468 4.668 50 0 GJAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1CN1CCSCC1 ZINC000061285545 205182108 /nfs/dbraw/zinc/18/21/08/205182108.db2.gz CLBKKOQQOYRMIA-UHFFFAOYSA-N 0 0 395.355 4.723 50 0 GJAARN O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 ZINC000061719272 205183521 /nfs/dbraw/zinc/18/35/21/205183521.db2.gz OMGRXZJVVQFEPA-UHFFFAOYSA-N 0 0 393.830 4.753 50 0 GJAARN Cc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1C ZINC000064888004 205199559 /nfs/dbraw/zinc/19/95/59/205199559.db2.gz ORTRDXKEOIUKIW-UHFFFAOYSA-N 0 0 397.522 4.868 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)cc1 ZINC000064955595 205201638 /nfs/dbraw/zinc/20/16/38/205201638.db2.gz CPYOWRUFHGIIFN-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN Cc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949975 205201909 /nfs/dbraw/zinc/20/19/09/205201909.db2.gz QQAALGKZFSAADA-UHFFFAOYSA-N 0 0 398.397 4.550 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2cccc(C)c2)cc1Cl ZINC000064984205 205204197 /nfs/dbraw/zinc/20/41/97/205204197.db2.gz AOAHNMXGUWRMLO-IBGZPJMESA-N 0 0 393.936 4.963 50 0 GJAARN CCc1ccccc1NC(=O)Nc1ccc2sc(C(=O)OC)c(OC)c2c1 ZINC000065023032 205207854 /nfs/dbraw/zinc/20/78/54/205207854.db2.gz NPVYRZLDTMZDFL-UHFFFAOYSA-N 0 0 384.457 4.903 50 0 GJAARN CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)C(F)(F)F)cc21 ZINC000065033887 205208578 /nfs/dbraw/zinc/20/85/78/205208578.db2.gz BYSVAUSUHLZHQG-UHFFFAOYSA-N 0 0 390.361 4.810 50 0 GJAARN CCCCCNC(=O)c1cccc(-c2cnc(Oc3ccc(OC)cc3)nc2)c1 ZINC000065057923 205209119 /nfs/dbraw/zinc/20/91/19/205209119.db2.gz YGDWJVXZVMXWJM-UHFFFAOYSA-N 0 0 391.471 4.865 50 0 biogenic GJAARN O=C(NCc1ccc(-c2noc(-c3ccccc3C(F)(F)F)n2)s1)C1CC1 ZINC000065097164 205210328 /nfs/dbraw/zinc/21/03/28/205210328.db2.gz AKMULWOSGGDGHO-UHFFFAOYSA-N 0 0 393.390 4.510 50 0 GJAARN Cc1nc(-c2cccc(-c3noc(-c4cc5ccccc5oc4=O)n3)c2)cs1 ZINC000065098147 205210921 /nfs/dbraw/zinc/21/09/21/205210921.db2.gz FNMVRHKPJPLNRC-UHFFFAOYSA-N 0 0 387.420 4.942 50 0 GJAARN CN(CCCc1ccco1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000065097957 205211062 /nfs/dbraw/zinc/21/10/62/205211062.db2.gz WPTYKDBSLBHRBP-UHFFFAOYSA-N 0 0 378.407 4.600 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4cc(F)ccc4F)C3)n2)c1 ZINC000065135388 205211765 /nfs/dbraw/zinc/21/17/65/205211765.db2.gz LRRDPDHAWWPOQL-KRWDZBQOSA-N 0 0 393.437 4.750 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3C)C2)cc1 ZINC000065136260 205212273 /nfs/dbraw/zinc/21/22/73/205212273.db2.gz OOKAQTMRRQPCSZ-FQEVSTJZSA-N 0 0 393.531 4.644 50 0 GJAARN O=C(c1c(F)cccc1F)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135758 205212442 /nfs/dbraw/zinc/21/24/42/205212442.db2.gz KVPQMANEENLFNT-OAHLLOKOSA-N 0 0 397.400 4.581 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NC1CCCCCC1 ZINC000065136688 205212851 /nfs/dbraw/zinc/21/28/51/205212851.db2.gz JUOCWADFHXBYAO-QGZVFWFLSA-N 0 0 389.515 4.689 50 0 GJAARN C[C@@H](NC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000065136344 205212875 /nfs/dbraw/zinc/21/28/75/205212875.db2.gz PHXIJIKCABKRNQ-MSOLQXFVSA-N 0 0 397.494 4.727 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168926 205214494 /nfs/dbraw/zinc/21/44/94/205214494.db2.gz PGAJBHPHTOMJAR-UHFFFAOYSA-N 0 0 396.853 4.835 50 0 GJAARN O=C(c1cnc2ccccc2c1Nc1cccc(Cl)c1)N1CCSCC1 ZINC000064471731 205189821 /nfs/dbraw/zinc/18/98/21/205189821.db2.gz JJWBCMZVQHXBHI-UHFFFAOYSA-N 0 0 383.904 4.821 50 0 GJAARN Cc1ccc(F)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471713 205190096 /nfs/dbraw/zinc/19/00/96/205190096.db2.gz VMBLINKAAPMNLL-UHFFFAOYSA-N 0 0 399.466 4.754 50 0 GJAARN COc1cccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c1 ZINC000064471592 205190277 /nfs/dbraw/zinc/19/02/77/205190277.db2.gz NMBIJUSKXAZQBK-UHFFFAOYSA-N 0 0 379.435 4.752 50 0 GJAARN CC[C@@H]1Cn2c(C(=O)NC[C@@H](C)c3ccccc3)cc3c2c(ccc3Cl)O1 ZINC000064658049 205192119 /nfs/dbraw/zinc/19/21/19/205192119.db2.gz HFRZHXFTSYAYRJ-GDBMZVCRSA-N 0 0 382.891 4.999 50 0 GJAARN COc1cccc(CNC(=O)Nc2c(-c3cccc(C)c3)nc3ccccn32)c1 ZINC000064611179 205192334 /nfs/dbraw/zinc/19/23/34/205192334.db2.gz YVYYJMONRIBOBG-UHFFFAOYSA-N 0 0 386.455 4.640 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605905 205192648 /nfs/dbraw/zinc/19/26/48/205192648.db2.gz YCQIZDBMGLZXSS-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccccc1Br ZINC000064756515 205194460 /nfs/dbraw/zinc/19/44/60/205194460.db2.gz NZUBRDONHGHCTK-UHFFFAOYSA-N 0 0 394.265 4.742 50 0 GJAARN Cc1cc(C)cc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000064775751 205195209 /nfs/dbraw/zinc/19/52/09/205195209.db2.gz WHCKHKOYNCKSHK-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN Cc1nc(-n2nc(C)c(CC(=O)Nc3cc(Cl)ccc3C)c2C)sc1C ZINC000064790309 205195295 /nfs/dbraw/zinc/19/52/95/205195295.db2.gz RKFIIZHTYBMPBL-UHFFFAOYSA-N 0 0 388.924 4.706 50 0 GJAARN Fc1ccc(Nc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064791040 205195968 /nfs/dbraw/zinc/19/59/68/205195968.db2.gz BDXQLDZLSVJZJQ-UHFFFAOYSA-N 0 0 382.402 4.736 50 0 GJAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)NC1CCCCCC1 ZINC000064820083 205196561 /nfs/dbraw/zinc/19/65/61/205196561.db2.gz NDHIPDJIPUUZCU-UHFFFAOYSA-N 0 0 383.311 4.927 50 0 GJAARN COc1ccc(CNc2nc(C)nc3c(-c4ccc(C)cc4)noc32)c(OC)c1 ZINC000064835226 205196818 /nfs/dbraw/zinc/19/68/18/205196818.db2.gz MIAVIPVXZVBILV-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN Cc1nc(-c2ncccn2)sc1C(=O)N(C)c1ccccc1-c1ccccc1 ZINC000064814964 205196855 /nfs/dbraw/zinc/19/68/55/205196855.db2.gz GVMZVYABUDNXGU-UHFFFAOYSA-N 0 0 386.480 4.852 50 0 GJAARN CCc1ccc(-c2nc3sc4cc(OC)ccc4n3c2NCCOC)cc1 ZINC000065319321 205228713 /nfs/dbraw/zinc/22/87/13/205228713.db2.gz NFBNMVPCDXDSQP-UHFFFAOYSA-N 0 0 381.501 4.845 50 0 GJAARN O=C(c1ccc(F)cc1F)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000065320510 205230562 /nfs/dbraw/zinc/23/05/62/205230562.db2.gz JJXOEESXSSJQGL-INIZCTEOSA-N 0 0 389.789 4.646 50 0 GJAARN COc1ccc(-c2c(-c3ccccc3)ncn2[C@H](CO)CCSC)c(C)c1 ZINC000065371859 205231519 /nfs/dbraw/zinc/23/15/19/205231519.db2.gz FFKRIQNLPWHONB-SFHVURJKSA-N 0 0 382.529 4.821 50 0 GJAARN CCC1=NO[C@H](Cn2cnc(-c3ccccc3)c2-c2ccc(F)cc2OC)C1 ZINC000065371127 205232457 /nfs/dbraw/zinc/23/24/57/205232457.db2.gz LNPPWOPRXDEMBM-SFHVURJKSA-N 0 0 379.435 4.920 50 0 GJAARN O[C@@H](Cn1cnc(-c2ccccc2)c1/C=C/c1ccc(F)cc1)c1cccnc1 ZINC000065371423 205232848 /nfs/dbraw/zinc/23/28/48/205232848.db2.gz TZCMMPHFGDIUEI-YYVWFHOOSA-N 0 0 385.442 4.988 50 0 GJAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1c2ccccc2C[C@@H]1C ZINC000065517748 205236294 /nfs/dbraw/zinc/23/62/94/205236294.db2.gz AJUXDUZSIBDOCJ-ZDUSSCGKSA-N 0 0 383.854 4.624 50 0 GJAARN Cc1csc(-c2ccc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)cc2)n1 ZINC000065492562 205236635 /nfs/dbraw/zinc/23/66/35/205236635.db2.gz NKNKSBYKOCFBJG-UHFFFAOYSA-N 0 0 378.432 4.696 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Nc3ccccc3C(=O)N2)cc1 ZINC000065552403 205237590 /nfs/dbraw/zinc/23/75/90/205237590.db2.gz XAOOJUVUMCMYDA-QHCPKHFHSA-N 0 0 380.451 4.702 50 0 GJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000065814483 205239496 /nfs/dbraw/zinc/23/94/96/205239496.db2.gz WKIDXKASEYYEKL-LPOKXYRGSA-N 0 0 383.923 4.544 50 0 GJAARN CCOc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1 ZINC000067257077 205242092 /nfs/dbraw/zinc/24/20/92/205242092.db2.gz AEOWPTPOHBXMIX-UHFFFAOYSA-N 0 0 397.475 4.721 50 0 GJAARN Cc1cc(-c2nc(-c3ccccc3)no2)c(C)n1CC(=O)Nc1ccc(C)cc1 ZINC000065195008 205217362 /nfs/dbraw/zinc/21/73/62/205217362.db2.gz YJPCBXVRFDCGDQ-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN CSc1ccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 ZINC000065185553 205217474 /nfs/dbraw/zinc/21/74/74/205217474.db2.gz HPANEYZNVZQMPU-UHFFFAOYSA-N 0 0 384.848 4.753 50 0 GJAARN O=C(CCc1conc1-c1ccccc1F)NCc1ccccc1C(F)(F)F ZINC000065213599 205219146 /nfs/dbraw/zinc/21/91/46/205219146.db2.gz DXMZMLHNUBEPMM-UHFFFAOYSA-N 0 0 392.352 4.749 50 0 GJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)Nc1ccc(F)cc1C ZINC000065240840 205221509 /nfs/dbraw/zinc/22/15/09/205221509.db2.gz TVGQHPLABQVFLP-UHFFFAOYSA-N 0 0 380.448 4.705 50 0 GJAARN Cn1ncc(CN2CCc3onc(-c4cccc5ccccc54)c3C2)c1C1CC1 ZINC000067852042 205263478 /nfs/dbraw/zinc/26/34/78/205263478.db2.gz WXRPBZIPZGPMTF-UHFFFAOYSA-N 0 0 384.483 4.664 50 0 GJAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccccc3F)cn12 ZINC000067846755 205263629 /nfs/dbraw/zinc/26/36/29/205263629.db2.gz YUIISIHWWZBZKQ-SFHVURJKSA-N 0 0 394.475 4.820 50 0 GJAARN CC[C@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(C)cc3)cn12 ZINC000067974292 205270749 /nfs/dbraw/zinc/27/07/49/205270749.db2.gz NYINZTAWNNLSCD-LJQANCHMSA-N 0 0 390.512 4.990 50 0 GJAARN O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1c(F)cccc1Cl ZINC000090607128 205274029 /nfs/dbraw/zinc/27/40/29/205274029.db2.gz VPTJBMWKYSDWRQ-UHFFFAOYSA-N 0 0 398.869 4.783 50 0 GJAARN Cn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1-c1cccs1 ZINC000090607042 205274054 /nfs/dbraw/zinc/27/40/54/205274054.db2.gz MWDLVUHHKPJDDI-UHFFFAOYSA-N 0 0 399.947 4.930 50 0 GJAARN CC[C@H](C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1 ZINC000090607120 205274100 /nfs/dbraw/zinc/27/41/00/205274100.db2.gz GFRVURATHOOCAG-QFIPXVFZSA-N 0 0 388.515 4.870 50 0 GJAARN c1csc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000067321536 205245879 /nfs/dbraw/zinc/24/58/79/205245879.db2.gz KHSLOHXNPCVGOQ-JTSKRJEESA-N 0 0 390.464 4.762 50 0 GJAARN COc1ccc2oc(/C=C/C(=O)Nc3cccc(C(=O)OC(C)C)c3)cc2c1 ZINC000067339519 205246776 /nfs/dbraw/zinc/24/67/76/205246776.db2.gz ZTTFFFTZQPFLFL-CSKARUKUSA-N 0 0 379.412 4.659 50 0 GJAARN C[C@@H](C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)n1cccc1 ZINC000067562604 205248426 /nfs/dbraw/zinc/24/84/26/205248426.db2.gz LFUWASSTIGWWBD-AWEZNQCLSA-N 0 0 389.377 4.572 50 0 GJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCC1=CCCCC1 ZINC000071326345 205281922 /nfs/dbraw/zinc/28/19/22/205281922.db2.gz MAEINHBWEGCUSJ-UHFFFAOYSA-N 0 0 376.913 4.864 50 0 GJAARN O=C(c1ccc(-c2ccc(O)cc2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000071404226 205282815 /nfs/dbraw/zinc/28/28/15/205282815.db2.gz KETWOIFRSDWECT-UHFFFAOYSA-N 0 0 386.495 4.939 50 0 GJAARN O=C(c1ccc(-c2ccc(CO)cc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000071439896 205284289 /nfs/dbraw/zinc/28/42/89/205284289.db2.gz JSSJZOTXHCZCSC-OAQYLSRUSA-N 0 0 386.495 4.651 50 0 GJAARN COc1cccc(OC)c1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071745472 205286848 /nfs/dbraw/zinc/28/68/48/205286848.db2.gz XOZOJIIQCDWQRD-LJQANCHMSA-N 0 0 382.287 4.584 50 0 GJAARN CCCSc1ncc(Br)c(C(=S)NCc2ccc(C)cc2)n1 ZINC000071195072 205277539 /nfs/dbraw/zinc/27/75/39/205277539.db2.gz YLZRAORTFBQZFH-UHFFFAOYSA-N 0 0 396.379 4.515 50 0 GJAARN CCN(CC)Cc1nnc2sc(/C=C/c3ccc(Cl)cc3Cl)nn12 ZINC000071260570 205277893 /nfs/dbraw/zinc/27/78/93/205277893.db2.gz GDCAZVOIYYWQHQ-SOFGYWHQSA-N 0 0 382.320 4.505 50 0 GJAARN COc1cc(C(=O)NCc2ccccc2C(F)(F)F)nc2c(C)cc(F)cc12 ZINC000072329518 205325565 /nfs/dbraw/zinc/32/55/65/205325565.db2.gz 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205345744 /nfs/dbraw/zinc/34/57/44/205345744.db2.gz JMQAPEOQLHYGAR-HXUWFJFHSA-N 0 0 379.485 4.840 50 0 GJAARN O=C(C[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)c(F)c1)c1cccs1 ZINC000079045261 205378518 /nfs/dbraw/zinc/37/85/18/205378518.db2.gz JNGGZJZQJUCSOI-MRXNPFEDSA-N 0 0 382.460 4.556 50 0 GJAARN Cc1cccc(-c2nc(CC(=O)NC[C@H](c3cccnc3)C(C)C)cs2)c1 ZINC000079049106 205378826 /nfs/dbraw/zinc/37/88/26/205378826.db2.gz FKUJKAUUZPWZHB-FQEVSTJZSA-N 0 0 379.529 4.612 50 0 GJAARN O=C(Nc1ccc(Br)cc1Br)c1cc(F)ccc1F ZINC000079077304 205380346 /nfs/dbraw/zinc/38/03/46/205380346.db2.gz CFUKLQBUSYFTNO-UHFFFAOYSA-N 0 0 391.009 4.742 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccncc2)C12CCCCC2 ZINC000079492519 205384186 /nfs/dbraw/zinc/38/41/86/205384186.db2.gz FPZXYXLHRDPFSP-OAQYLSRUSA-N 0 0 391.515 4.619 50 0 GJAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000082086641 205385290 /nfs/dbraw/zinc/38/52/90/205385290.db2.gz AHAUMOAYFHPKPB-CYBMUJFWSA-N 0 0 394.525 4.768 50 0 GJAARN Cc1ccc2nc(C)cc(C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2c1 ZINC000089657505 205407790 /nfs/dbraw/zinc/40/77/90/205407790.db2.gz GCQANJQBPGDOKZ-VXKWHMMOSA-N 0 0 378.447 4.641 50 0 GJAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccsc3)c21 ZINC000095478486 205467709 /nfs/dbraw/zinc/46/77/09/205467709.db2.gz AYAOUMJGNWFJHM-MRXNPFEDSA-N 0 0 380.469 4.669 50 0 GJAARN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000095482408 205468476 /nfs/dbraw/zinc/46/84/76/205468476.db2.gz ZWZTUWCRAVCFSQ-INIZCTEOSA-N 0 0 387.892 4.577 50 0 GJAARN CC(C)c1nc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)ccc2o1 ZINC000095508361 205479091 /nfs/dbraw/zinc/47/90/91/205479091.db2.gz NETWLXANFHIECM-CQSZACIVSA-N 0 0 380.444 4.604 50 0 GJAARN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000095423953 205456801 /nfs/dbraw/zinc/45/68/01/205456801.db2.gz RDVNNIJXAPFBKT-HOYKHHGWSA-N 0 0 391.486 4.976 50 0 GJAARN COc1ccc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)c(OC)c1OC ZINC000095971858 205510865 /nfs/dbraw/zinc/51/08/65/205510865.db2.gz WEUJACJRGZEEDQ-UHFFFAOYSA-N 0 0 393.487 4.696 50 0 GJAARN Cc1csc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1 ZINC000022753341 211779248 /nfs/dbraw/zinc/77/92/48/211779248.db2.gz TXOOXCJHCJMWLU-UHFFFAOYSA-N 0 0 384.848 4.803 50 0 GJAARN Cc1nc(SCc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)[nH]c1C ZINC000096191879 205540385 /nfs/dbraw/zinc/54/03/85/205540385.db2.gz WOYFCJBGGNSNJY-UHFFFAOYSA-N 0 0 396.903 4.671 50 0 GJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)CC(C)C)ccc21 ZINC000096275435 205554009 /nfs/dbraw/zinc/55/40/09/205554009.db2.gz AYDUUSLNVQXHNB-UHFFFAOYSA-N 0 0 377.488 4.576 50 0 GJAARN C/C=C\c1ccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(OC)c1 ZINC000096504614 205567757 /nfs/dbraw/zinc/56/77/57/205567757.db2.gz QJCJWGAGMUANGA-UTCJRWHESA-N 0 0 395.455 4.787 50 0 GJAARN Cc1nc(COc2ccccc2/C=C\C(=O)Nc2ccc(F)c(F)c2)cs1 ZINC000096936514 205578684 /nfs/dbraw/zinc/57/86/84/205578684.db2.gz CVNJASSPYUHJDJ-TWGQIWQCSA-N 0 0 386.423 4.961 50 0 GJAARN CCc1oc2ccccc2c1/C=C\C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000098053150 205601116 /nfs/dbraw/zinc/60/11/16/205601116.db2.gz GLCVKXPRZOCQAN-UGKSPZPDSA-N 0 0 381.497 4.623 50 0 GJAARN Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)sc2c1 ZINC000100966860 205615471 /nfs/dbraw/zinc/61/54/71/205615471.db2.gz PXAAFEPLENPVFH-IAGOWNOFSA-N 0 0 376.481 4.951 50 0 GJAARN Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)c(C)o1 ZINC000042380184 205648424 /nfs/dbraw/zinc/64/84/24/205648424.db2.gz IKTJXYQHXPMISS-CQSZACIVSA-N 0 0 385.464 4.574 50 0 GJAARN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000047957551 205664880 /nfs/dbraw/zinc/66/48/80/205664880.db2.gz IEMONVKDIUXJLI-HXUWFJFHSA-N 0 0 399.462 4.560 50 0 GJAARN CN(Cc1cc(Br)cs1)C(=O)CCc1c[nH]c2ccccc12 ZINC000048327664 205665370 /nfs/dbraw/zinc/66/53/70/205665370.db2.gz KVKIBACYLFAKKL-UHFFFAOYSA-N 0 0 377.307 4.583 50 0 GJAARN O=C(CCc1ccc(F)cc1)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000048345834 205667252 /nfs/dbraw/zinc/66/72/52/205667252.db2.gz KAMAOCGVTDHUEU-UHFFFAOYSA-N 0 0 392.261 4.949 50 0 GJAARN CC(=O)N1CCc2cccc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)c21 ZINC000151475406 205723809 /nfs/dbraw/zinc/72/38/09/205723809.db2.gz QHELNVPGRXGIEQ-UHFFFAOYSA-N 0 0 380.444 4.716 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CCCc2ccccc2)c1 ZINC000004585466 205750454 /nfs/dbraw/zinc/75/04/54/205750454.db2.gz OPDHRMYLNCRINP-UHFFFAOYSA-N 0 0 397.478 4.656 50 0 GJAARN CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)sc1C ZINC000004929151 205757745 /nfs/dbraw/zinc/75/77/45/205757745.db2.gz NJVQONPWKHEWKY-SECBINFHSA-N 0 0 385.407 4.610 50 0 GJAARN O=C(N[C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2)c1ccccc1F ZINC000007078714 205784223 /nfs/dbraw/zinc/78/42/23/205784223.db2.gz OVWASNXFOYMILS-NRFANRHFSA-N 0 0 391.442 4.701 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)CC2CCCC2)c1 ZINC000005259035 205764232 /nfs/dbraw/zinc/76/42/32/205764232.db2.gz MPCWNGQXQPOKFX-UHFFFAOYSA-N 0 0 395.890 4.866 50 0 GJAARN CCSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000005241527 205765311 /nfs/dbraw/zinc/76/53/11/205765311.db2.gz VHLPZSTYXLNDEF-UHFFFAOYSA-N 0 0 384.482 4.903 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1nccs1 ZINC000001057692 205806971 /nfs/dbraw/zinc/80/69/71/205806971.db2.gz RKZMGHXRUOHUIG-UHFFFAOYSA-N 0 0 392.509 4.931 50 0 GJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2cccc(Br)c2)cc1C ZINC000003221700 205813702 /nfs/dbraw/zinc/81/37/02/205813702.db2.gz FFMJXWPLBDTUCQ-BQYQJAHWSA-N 0 0 394.290 4.648 50 0 GJAARN CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000170599579 205852008 /nfs/dbraw/zinc/85/20/08/205852008.db2.gz STHRWXTXQHQYEQ-LRDDRELGSA-N 0 0 376.909 4.914 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000211083914 205923734 /nfs/dbraw/zinc/92/37/34/205923734.db2.gz HFVYLZRWTSCTQC-UHFFFAOYSA-N 0 0 375.902 4.553 50 0 GJAARN COc1ccc2c(CC(=O)OCc3cc4ccccc4nc3Cl)coc2c1 ZINC000021318158 205929805 /nfs/dbraw/zinc/92/98/05/205929805.db2.gz JEHSTAOPWOEJQP-UHFFFAOYSA-N 0 0 381.815 4.929 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000022969818 205967117 /nfs/dbraw/zinc/96/71/17/205967117.db2.gz AAHRRJCVAKXXDC-QGZVFWFLSA-N 0 0 380.271 4.988 50 0 GJAARN C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 ZINC000220607676 205972214 /nfs/dbraw/zinc/97/22/14/205972214.db2.gz MSORXWUMWOFHDU-SFHVURJKSA-N 0 0 382.467 4.768 50 0 GJAARN Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)nc1 ZINC000014683575 211707332 /nfs/dbraw/zinc/70/73/32/211707332.db2.gz SWVKWHOHWWUIQG-IBGZPJMESA-N 0 0 393.874 4.543 50 0 GJAARN CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000225504939 206053877 /nfs/dbraw/zinc/05/38/77/206053877.db2.gz YMBLJQIKZGOSHD-KRWDZBQOSA-N 0 0 394.327 4.657 50 0 GJAARN O=C(/C=C/c1ccccc1Cl)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000225704828 206070030 /nfs/dbraw/zinc/07/00/30/206070030.db2.gz PJDZEQKJDWZNFM-ZGKFYVQTSA-N 0 0 378.859 4.581 50 0 GJAARN O=C(Nc1ccc(N2CCC2=O)cc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000225611746 206060629 /nfs/dbraw/zinc/06/06/29/206060629.db2.gz AKJCGUPHBAOSRR-UHFFFAOYSA-N 0 0 389.436 4.545 50 0 GJAARN O=C(NC[C@@H](O)c1csc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000225699424 206067357 /nfs/dbraw/zinc/06/73/57/206067357.db2.gz AYBVWMNRVTWXAW-OAHLLOKOSA-N 0 0 380.391 4.775 50 0 GJAARN COc1cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc2c1O[C@@H](C)C2 ZINC000032001503 206089210 /nfs/dbraw/zinc/08/92/10/206089210.db2.gz DLCJTHAHZMYYOF-HNNXBMFYSA-N 0 0 399.450 4.586 50 0 GJAARN O=C(c1ccc(F)cc1)c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1 ZINC000031682181 206089553 /nfs/dbraw/zinc/08/95/53/206089553.db2.gz FQLUPGWMNZRBIS-UHFFFAOYSA-N 0 0 392.361 4.825 50 0 GJAARN CC(C)c1nc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2o1 ZINC000033217504 206096281 /nfs/dbraw/zinc/09/62/81/206096281.db2.gz NVQGHUHJYOBKDI-CQSZACIVSA-N 0 0 397.500 4.504 50 0 GJAARN COc1cccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000032904156 206096993 /nfs/dbraw/zinc/09/69/93/206096993.db2.gz IDORHUHLYPZBRW-XNTDXEJSSA-N 0 0 387.439 4.991 50 0 GJAARN Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccco2)o1 ZINC000032925237 206097102 /nfs/dbraw/zinc/09/71/02/206097102.db2.gz HYTAFASUWIVJBO-MRXNPFEDSA-N 0 0 399.244 4.935 50 0 GJAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(Br)cc1 ZINC000033474684 206098479 /nfs/dbraw/zinc/09/84/79/206098479.db2.gz IKKJIJWVYVZHFC-XFXZXTDPSA-N 0 0 387.664 4.757 50 0 GJAARN CCC[C@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000227154648 206099676 /nfs/dbraw/zinc/09/96/76/206099676.db2.gz FGIOBGPHDJJGJC-CQSZACIVSA-N 0 0 387.838 4.899 50 0 GJAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000061972683 206104413 /nfs/dbraw/zinc/10/44/13/206104413.db2.gz BMKXIVSYGCERBJ-UHFFFAOYSA-N 0 0 380.513 4.669 50 0 GJAARN Cc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(Cl)c(Cl)c2)CO1 ZINC000061997724 206104504 /nfs/dbraw/zinc/10/45/04/206104504.db2.gz ZCHNPORAYWGHKO-UHFFFAOYSA-N 0 0 376.239 4.760 50 0 biogenic GJAARN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCc3ccccc3)sc21 ZINC000064567942 206106231 /nfs/dbraw/zinc/10/62/31/206106231.db2.gz ZEDFUOKOMDQLHC-UHFFFAOYSA-N 0 0 395.915 4.928 50 0 GJAARN O=C(c1cccc(OC(F)F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012882430 211691615 /nfs/dbraw/zinc/69/16/15/211691615.db2.gz CSGPCCCYOIAJNI-AWEZNQCLSA-N 0 0 388.439 4.918 50 0 GJAARN CC(=O)Nc1ccccc1C1=NN(C(=O)c2ccsc2)[C@@H](c2cccs2)C1 ZINC000239869359 206127020 /nfs/dbraw/zinc/12/70/20/206127020.db2.gz CYTQNRKXNFWMOU-GOSISDBHSA-N 0 0 395.509 4.760 50 0 GJAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(C2CC2)on1 ZINC000096119759 206118980 /nfs/dbraw/zinc/11/89/80/206118980.db2.gz XAGSARJMCHRUGP-UHFFFAOYSA-N 0 0 392.440 4.507 50 0 GJAARN CO[C@H]1CCN(c2ccc(NC(=O)Cc3ccc(SC(C)C)cc3)cc2)C1 ZINC000096122229 206119131 /nfs/dbraw/zinc/11/91/31/206119131.db2.gz KZYIMDYYAFDVEN-FQEVSTJZSA-N 0 0 384.545 4.593 50 0 GJAARN Cc1cc(=O)oc2c1ccc1c2[C@@H](c2ccc(OCC(C)C)cc2)CC(=O)O1 ZINC000096221356 206121321 /nfs/dbraw/zinc/12/13/21/206121321.db2.gz IKLUNDMSUKIBID-GOSISDBHSA-N 0 0 378.424 4.577 50 0 biogenic GJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1OC ZINC000239432989 206125524 /nfs/dbraw/zinc/12/55/24/206125524.db2.gz XBDHREMDDJXHEO-RDPSFJRHSA-N 0 0 386.451 4.946 50 0 GJAARN COc1ccc2c(C)cc3nn(CN4CCC[C@H]5CCCC[C@H]54)c(=S)n3c2c1 ZINC000229996131 206110939 /nfs/dbraw/zinc/11/09/39/206110939.db2.gz VEAGFMGVFNJHKI-VQIMIIECSA-N 0 0 396.560 4.948 50 0 GJAARN COc1ccc(CN(C)C(=O)COc2ccccc2-c2ccccc2)cc1F ZINC000012918054 211692560 /nfs/dbraw/zinc/69/25/60/211692560.db2.gz OOBINAXHLZCPCK-UHFFFAOYSA-N 0 0 379.431 4.539 50 0 GJAARN O=C([C@@H](Sc1nc(-c2ccccc2)cs1)c1ccccc1)N1CCOCC1 ZINC000012819256 211689809 /nfs/dbraw/zinc/68/98/09/211689809.db2.gz IEAVRHRHSVZNLR-IBGZPJMESA-N 0 0 396.537 4.502 50 0 GJAARN CC(C)CN1CC(=O)C(c2nc(-c3ccc(Br)cc3)cs2)=C1N ZINC000252523205 206141666 /nfs/dbraw/zinc/14/16/66/206141666.db2.gz CBIYEZRPMWEDQG-UHFFFAOYSA-N 0 0 392.322 4.791 50 0 GJAARN C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(F)c(Cl)c1 ZINC000252504188 206141805 /nfs/dbraw/zinc/14/18/05/206141805.db2.gz VHZYDPXIVGQJAA-CQSZACIVSA-N 0 0 388.870 4.818 50 0 GJAARN Brc1ccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 ZINC000242389393 206127989 /nfs/dbraw/zinc/12/79/89/206127989.db2.gz ZWTXGXGBQLPFIR-HNNXBMFYSA-N 0 0 387.306 4.704 50 0 GJAARN CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000242273679 206128578 /nfs/dbraw/zinc/12/85/78/206128578.db2.gz YEYLIJMICKWBDJ-KRWDZBQOSA-N 0 0 394.327 4.657 50 0 GJAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)C1CCOCC1 ZINC000206896663 211672439 /nfs/dbraw/zinc/67/24/39/211672439.db2.gz XRJIWVCVOIAZDP-UHFFFAOYSA-N 0 0 382.460 4.981 50 0 GJAARN CCSc1ccc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cn1 ZINC000072098232 206208433 /nfs/dbraw/zinc/20/84/33/206208433.db2.gz OLFHFLCRVKOOIS-SFHVURJKSA-N 0 0 378.501 4.568 50 0 GJAARN Cc1ccccc1[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CCS1 ZINC000207003221 211674786 /nfs/dbraw/zinc/67/47/86/211674786.db2.gz AIGCDWSDOSROLT-JOCHJYFZSA-N 0 0 391.540 4.716 50 0 GJAARN Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccc2Br)c(C)c1 ZINC000096137075 206222617 /nfs/dbraw/zinc/22/26/17/206222617.db2.gz YIMSJOMEGIVSQP-CMDGGOBGSA-N 0 0 380.307 4.787 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000011084034 211671619 /nfs/dbraw/zinc/67/16/19/211671619.db2.gz KNVRCYPNUYXEKP-UHFFFAOYSA-N 0 0 379.847 4.603 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccccc2F)n1C ZINC000011210708 211670799 /nfs/dbraw/zinc/67/07/99/211670799.db2.gz WWORJIBSMZBOJU-UHFFFAOYSA-N 0 0 380.448 4.877 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000005590683 211622780 /nfs/dbraw/zinc/62/27/80/211622780.db2.gz XWJXYISWZVKEQP-UHFFFAOYSA-N 0 0 379.803 4.561 50 0 GJAARN COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl ZINC000000813644 211606800 /nfs/dbraw/zinc/60/68/00/211606800.db2.gz RSXKSXZORCZCRG-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN O=C(Cc1csc(SCc2ccc(F)cc2)n1)N1CCc2ccccc21 ZINC000008854021 211600324 /nfs/dbraw/zinc/60/03/24/211600324.db2.gz VORYSNKTSCHXEA-UHFFFAOYSA-N 0 0 384.501 4.706 50 0 GJAARN CSc1nnc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)s1 ZINC000005872402 211572266 /nfs/dbraw/zinc/57/22/66/211572266.db2.gz BBHDHCHKMKRIPW-UHFFFAOYSA-N 0 0 389.571 4.702 50 0 GJAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000005235772 211565059 /nfs/dbraw/zinc/56/50/59/211565059.db2.gz NFNCDLOEEOWIKQ-IAGOWNOFSA-N 0 0 377.488 4.612 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nncn1-c1cccc(OC)c1 ZINC000004843765 211549514 /nfs/dbraw/zinc/54/95/14/211549514.db2.gz DZPKHTHPAIUITQ-HNNXBMFYSA-N 0 0 396.516 4.520 50 0 GJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)CCCC2 ZINC000004348741 211544403 /nfs/dbraw/zinc/54/44/03/211544403.db2.gz LIANIZHJHKCOFC-UHFFFAOYSA-N 0 0 390.508 4.906 50 0 GJAARN O=C(c1cccc(F)c1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000004120469 211531069 /nfs/dbraw/zinc/53/10/69/211531069.db2.gz UQCDBGRGXIXTHF-UHFFFAOYSA-N 0 0 382.382 4.590 50 0 GJAARN O=C(C=Cc1ccccc1Cl)OCC(=O)c1ccc(Br)cc1 ZINC000003328663 211521405 /nfs/dbraw/zinc/52/14/05/211521405.db2.gz JIAYNCXYEDPAMK-JXMROGBWSA-N 0 0 379.637 4.542 50 0 GJAARN CCOc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2ccc(OC)cc2)cc1 ZINC000002308759 211515433 /nfs/dbraw/zinc/51/54/33/211515433.db2.gz LXGXNDDXJHNRIE-WOOPDLCSSA-N 0 0 377.440 4.606 50 0 GJAARN CCCOc1cccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 ZINC000002081173 211512579 /nfs/dbraw/zinc/51/25/79/211512579.db2.gz UKHVKFNPDHQPIN-CAOOACKPSA-N 0 0 377.774 4.752 50 0 GJAARN Cc1ccc(N2C(=O)C(Sc3ccccc3)=C(N3CCCCC3)C2=O)c(C)c1 ZINC000000951853 211500267 /nfs/dbraw/zinc/50/02/67/211500267.db2.gz VSIDPJQCNGDMGL-UHFFFAOYSA-N 0 0 392.524 4.666 50 0 GJAARN Brc1ccc(OCc2nnc(SCc3ccccc3)o2)cc1 ZINC000000892249 211493631 /nfs/dbraw/zinc/49/36/31/211493631.db2.gz YQDLWKAJPUBJNH-UHFFFAOYSA-N 0 0 377.263 4.703 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000048250288 211453474 /nfs/dbraw/zinc/45/34/74/211453474.db2.gz DQUDNDSNEVDDQH-UHFFFAOYSA-N 0 0 387.936 4.795 50 0 GJAARN CC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 ZINC000102722474 211414806 /nfs/dbraw/zinc/41/48/06/211414806.db2.gz OITRARFYNKFRDR-UHFFFAOYSA-N 0 0 375.453 4.779 50 0 GJAARN CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102668805 211413537 /nfs/dbraw/zinc/41/35/37/211413537.db2.gz DTNRCNWWNZBOQN-QGZVFWFLSA-N 0 0 384.505 4.706 50 0 GJAARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1F ZINC000098072812 211377607 /nfs/dbraw/zinc/37/76/07/211377607.db2.gz YYOUQWIPLDRDTL-UHFFFAOYSA-N 0 0 399.068 4.696 50 0 GJAARN CCc1nc([C@@H](C)NC(=O)Nc2c(F)cc(F)cc2Br)cs1 ZINC000097117667 211359204 /nfs/dbraw/zinc/35/92/04/211359204.db2.gz LXCZCRLXRCSIMR-SSDOTTSWSA-N 0 0 390.253 4.629 50 0 GJAARN Cc1ccc(NC(=O)N(C)CCC[C@H]2CCCO2)cc1NC(=O)C1CCCC1 ZINC000097797451 211372748 /nfs/dbraw/zinc/37/27/48/211372748.db2.gz YDMOJWNKCZRTRF-IBGZPJMESA-N 0 0 387.524 4.547 50 0 GJAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)on1 ZINC000097636673 211369785 /nfs/dbraw/zinc/36/97/85/211369785.db2.gz TZCHODLGVBBWSP-SFHVURJKSA-N 0 0 379.464 4.661 50 0 GJAARN Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)nc12 ZINC000097230890 211362583 /nfs/dbraw/zinc/36/25/83/211362583.db2.gz HHXOFKZGBRIRIX-UHFFFAOYSA-N 0 0 389.842 4.804 50 0 GJAARN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1cccs1)C1CC1 ZINC000097212369 211361954 /nfs/dbraw/zinc/36/19/54/211361954.db2.gz UKDKXCCZUFRLBP-UHFFFAOYSA-N 0 0 393.390 4.622 50 0 GJAARN O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)NCCc1ccc(Cl)cc1 ZINC000096878991 211349109 /nfs/dbraw/zinc/34/91/09/211349109.db2.gz KWVUGVLAMGEGIX-DAXSKMNVSA-N 0 0 392.282 4.527 50 0 GJAARN O=C(/C=C\c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000096822859 211348014 /nfs/dbraw/zinc/34/80/14/211348014.db2.gz POTURAIBAUCFGH-VURMDHGXSA-N 0 0 383.494 4.827 50 0 GJAARN COC(=O)c1ccc(COC(=O)/C(=C\c2cccs2)c2cccs2)cc1 ZINC000096480519 211342840 /nfs/dbraw/zinc/34/28/40/211342840.db2.gz FMYHHEVKTGEBOR-ATVHPVEESA-N 0 0 384.478 4.880 50 0 GJAARN Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCc2ccccc2Cl)o1 ZINC000096324137 211335051 /nfs/dbraw/zinc/33/50/51/211335051.db2.gz UNYCWMMROIVYER-UHFFFAOYSA-N 0 0 381.819 4.683 50 0 GJAARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc(C)c2)no1 ZINC000096294219 211330732 /nfs/dbraw/zinc/33/07/32/211330732.db2.gz FDJVKYWHNTYREP-DYESRHJHSA-N 0 0 377.488 4.881 50 0 GJAARN CCCN(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1Cl ZINC000096277497 211329764 /nfs/dbraw/zinc/32/97/64/211329764.db2.gz HOJUYMCKQWALSF-UHFFFAOYSA-N 0 0 383.879 4.793 50 0 GJAARN CC(C)[C@H](NC(=O)CCn1ccc2ccc(F)cc21)c1nc2ccccc2[nH]1 ZINC000096224160 211318822 /nfs/dbraw/zinc/31/88/22/211318822.db2.gz NAMMOIFKWRCLRI-NRFANRHFSA-N 0 0 378.451 4.560 50 0 GJAARN CSc1cccc(CN(C)C(=O)Nc2cc(C(=O)NC(C)C)ccc2C)c1 ZINC000096163892 211315245 /nfs/dbraw/zinc/31/52/45/211315245.db2.gz CVHQXZUXUONQFZ-UHFFFAOYSA-N 0 0 385.533 4.519 50 0 GJAARN CSc1ccc(-c2csc(NC(=O)c3cccc(C4OCCO4)c3)n2)cc1 ZINC000095978114 211291333 /nfs/dbraw/zinc/29/13/33/211291333.db2.gz KTNGMDRGVOKYHQ-UHFFFAOYSA-N 0 0 398.509 4.830 50 0 GJAARN CC(C)(C)c1nc(CC(=O)N=c2[nH]c3ccccc3n2C2CCCC2)cs1 ZINC000095960934 211289211 /nfs/dbraw/zinc/28/92/11/211289211.db2.gz CZKSPZISBIVBMR-UHFFFAOYSA-N 0 0 382.533 4.509 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cncn4)cc3C)sc2C)s1 ZINC000095961535 211288666 /nfs/dbraw/zinc/28/86/66/211288666.db2.gz IETIDWSLTPMTQB-UHFFFAOYSA-N 0 0 395.513 4.630 50 0 GJAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095958249 211287608 /nfs/dbraw/zinc/28/76/08/211287608.db2.gz LDBAQJREMNCCAP-XLIONFOSSA-N 0 0 396.531 4.534 50 0 GJAARN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000095949113 211286367 /nfs/dbraw/zinc/28/63/67/211286367.db2.gz RIFULKDHBWEMAO-UHFFFAOYSA-N 0 0 392.509 4.813 50 0 GJAARN O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1 ZINC000095564059 211276534 /nfs/dbraw/zinc/27/65/34/211276534.db2.gz OQVDVROJIIHDBB-UHFFFAOYSA-N 0 0 381.844 4.557 50 0 GJAARN O=C(CC[C@@H]1CCCN(c2nccs2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095524090 211270984 /nfs/dbraw/zinc/27/09/84/211270984.db2.gz HTDYAUALKFSIGM-ZDUSSCGKSA-N 0 0 383.439 4.797 50 0 GJAARN CCC[C@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1nccn1C ZINC000095525135 211269296 /nfs/dbraw/zinc/26/92/96/211269296.db2.gz WQJJWLYUYFXDCV-SFHVURJKSA-N 0 0 384.505 4.968 50 0 GJAARN Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2)c1 ZINC000095395343 211239610 /nfs/dbraw/zinc/23/96/10/211239610.db2.gz SPNJPDZAEBHWEJ-QGZVFWFLSA-N 0 0 376.460 4.922 50 0 GJAARN O=C1CS[C@H](c2cccc(O)c2)c2cnn(Cc3ccccc3Cl)c2N1 ZINC000095472172 211247332 /nfs/dbraw/zinc/24/73/32/211247332.db2.gz DNRXBBZVJCOBRL-GOSISDBHSA-N 0 0 385.876 4.715 50 0 GJAARN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)cc1Cl ZINC000095471617 211245436 /nfs/dbraw/zinc/24/54/36/211245436.db2.gz GTDAJTNKBAHHAP-UHFFFAOYSA-N 0 0 382.634 4.627 50 0 GJAARN O=C([O-])c1cccc([C@@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)c1 ZINC000095373917 211229510 /nfs/dbraw/zinc/22/95/10/211229510.db2.gz HQROMSTZQKEJAU-OAQYLSRUSA-N 0 0 379.504 4.602 50 0 GJAARN Cc1nnc(-c2ccccc2NC(=O)COc2ccc(Cl)c3ccccc23)o1 ZINC000095350714 211221344 /nfs/dbraw/zinc/22/13/44/211221344.db2.gz KUZAPKIEFDRRAB-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)c(F)c1 ZINC000095067973 211216717 /nfs/dbraw/zinc/21/67/17/211216717.db2.gz CABCJXUBRPTEBG-UHFFFAOYSA-N 0 0 399.068 4.696 50 0 GJAARN O=C(c1cnc(Nc2ccccc2)nc1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000092076874 211214700 /nfs/dbraw/zinc/21/47/00/211214700.db2.gz DTVKNGSNKLJABP-HXUWFJFHSA-N 0 0 376.435 4.727 50 0 GJAARN COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccc3ccccc32)cc1 ZINC000089904827 211185975 /nfs/dbraw/zinc/18/59/75/211185975.db2.gz XEZKLEQJEFTEFZ-UPVQGACJSA-N 0 0 390.483 4.752 50 0 GJAARN O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CCCC2(C1)CCCCCC2 ZINC000089781037 211184367 /nfs/dbraw/zinc/18/43/67/211184367.db2.gz CKJJDJXLPWWHQN-IBGZPJMESA-N 0 0 387.545 4.671 50 0 GJAARN COc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089669210 211183087 /nfs/dbraw/zinc/18/30/87/211183087.db2.gz RBVANDGHAFNVOB-OAQYLSRUSA-N 0 0 393.874 4.903 50 0 GJAARN CCc1ccccc1NC(=O)Cc1c(C)nc2nc(C3CCCCC3)nn2c1C ZINC000086070109 211180489 /nfs/dbraw/zinc/18/04/89/211180489.db2.gz SDJGZQYNJSNDIQ-UHFFFAOYSA-N 0 0 391.519 4.532 50 0 GJAARN O=c1nc(Cc2ccc(OC(F)(F)F)cc2)[nH]c2sc3c(c21)CCCS3 ZINC000084404855 211169685 /nfs/dbraw/zinc/16/96/85/211169685.db2.gz BVQONWVSLHPGHJ-UHFFFAOYSA-N 0 0 398.431 4.512 50 0 GJAARN O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000079487837 211158091 /nfs/dbraw/zinc/15/80/91/211158091.db2.gz VXEDDABWYRNFIZ-OAQYLSRUSA-N 0 0 380.532 4.540 50 0 GJAARN COc1cccc(F)c1C(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000078903031 211148426 /nfs/dbraw/zinc/14/84/26/211148426.db2.gz BQKCZRFRCOMBPN-UHFFFAOYSA-N 0 0 379.366 4.769 50 0 GJAARN Cc1cc(N2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)nc2ccccc12 ZINC000072480813 211124423 /nfs/dbraw/zinc/12/44/23/211124423.db2.gz JLUONTHXDCMRHB-VWLOTQADSA-N 0 0 391.559 4.942 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(CC)cc3)[nH]n2)cc1 ZINC000072331544 211092205 /nfs/dbraw/zinc/09/22/05/211092205.db2.gz ZGLZBCAMCSGNEC-UHFFFAOYSA-N 0 0 377.488 4.748 50 0 GJAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(Cl)cc2)[nH]n1 ZINC000072331594 211092013 /nfs/dbraw/zinc/09/20/13/211092013.db2.gz KKEVGDXHYBHNJC-UHFFFAOYSA-N 0 0 383.879 4.839 50 0 GJAARN Cn1ccnc1Sc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 ZINC000072232932 211083973 /nfs/dbraw/zinc/08/39/73/211083973.db2.gz OQHKLDPEYKVNFH-UHFFFAOYSA-N 0 0 394.525 4.752 50 0 GJAARN C[C@](NC(=O)COc1ccc(Oc2ccccc2)cc1)(C1CC1)C(F)(F)F ZINC000072307912 211086669 /nfs/dbraw/zinc/08/66/69/211086669.db2.gz WBZVKLPDJIEOQC-IBGZPJMESA-N 0 0 379.378 4.705 50 0 GJAARN O=C(c1ccccc1O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071759929 211057655 /nfs/dbraw/zinc/05/76/55/211057655.db2.gz VFWRWCSWRNYDRJ-OAHLLOKOSA-N 0 0 377.406 4.896 50 0 GJAARN CC(C)Nc1ncc(CN2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cn1 ZINC000071754060 211058941 /nfs/dbraw/zinc/05/89/41/211058941.db2.gz FQHLLTTVHXGJIL-JOCHJYFZSA-N 0 0 388.515 4.545 50 0 GJAARN CCc1ncc(C(=O)N2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071738759 211053454 /nfs/dbraw/zinc/05/34/54/211053454.db2.gz LZBGSSHFISJCSU-INIZCTEOSA-N 0 0 391.437 4.543 50 0 GJAARN CCCn1nccc1C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071738440 211053067 /nfs/dbraw/zinc/05/30/67/211053067.db2.gz XLGXWTBYKUSXHK-QGZVFWFLSA-N 0 0 393.453 4.797 50 0 GJAARN Cc1[nH]c2c(c1C(=O)N1CCC[C@H](CCc3ccccc3C)C1)C(=O)CCC2 ZINC000071753864 211057496 /nfs/dbraw/zinc/05/74/96/211057496.db2.gz QGANFCQANYGWPP-GOSISDBHSA-N 0 0 378.516 4.636 50 0 GJAARN O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071752436 211056114 /nfs/dbraw/zinc/05/61/14/211056114.db2.gz NYGXMGCOZRRDGT-SFHVURJKSA-N 0 0 377.463 4.701 50 0 GJAARN O=C(c1c(O)cccc1O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071753154 211055670 /nfs/dbraw/zinc/05/56/70/211055670.db2.gz HVHKKCMKHKQEBQ-OAHLLOKOSA-N 0 0 393.405 4.602 50 0 GJAARN O=C(CCSc1ccccc1)N1CCC(CSCc2ccco2)CC1 ZINC000090608395 211037334 /nfs/dbraw/zinc/03/73/34/211037334.db2.gz WWXSYGGGEJIZHR-UHFFFAOYSA-N 0 0 375.559 4.934 50 0 GJAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000069757842 211040073 /nfs/dbraw/zinc/04/00/73/211040073.db2.gz DNZPGPWTIBHJRK-PKOBYXMFSA-N 0 0 395.528 4.921 50 0 GJAARN O=C(CCCCc1ccc(Br)cc1)NCCSC(F)(F)F ZINC000070021173 211040120 /nfs/dbraw/zinc/04/01/20/211040120.db2.gz DKKYBINHYCGQDP-UHFFFAOYSA-N 0 0 384.261 4.531 50 0 GJAARN COc1cccc2cc(C(=O)NCc3sc(-c4cccs4)nc3C)oc21 ZINC000090592705 211036039 /nfs/dbraw/zinc/03/60/39/211036039.db2.gz DJXRXPQBBLDCHG-UHFFFAOYSA-N 0 0 384.482 4.865 50 0 GJAARN O=C(Nc1ccc(F)cc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000090560556 211035592 /nfs/dbraw/zinc/03/55/92/211035592.db2.gz GJWCSGLTWXIVHQ-UHFFFAOYSA-N 0 0 378.451 4.633 50 0 GJAARN COc1ccc(CCCNC(=O)c2ccc(-c3cccc4cccnc43)nc2)cc1 ZINC000067726111 211019904 /nfs/dbraw/zinc/01/99/04/211019904.db2.gz HZXYKZYKUPXVAY-UHFFFAOYSA-N 0 0 397.478 4.668 50 0 GJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3c[nH]c4ccccc43)nc2)C1 ZINC000067674942 211015539 /nfs/dbraw/zinc/01/55/39/211015539.db2.gz QFWNRODQQBFGCE-SFHVURJKSA-N 0 0 389.499 4.697 50 0 GJAARN COc1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c(OC)c1 ZINC000067339951 211008727 /nfs/dbraw/zinc/00/87/27/211008727.db2.gz DCQFVFJVHMBHFN-FNORWQNLSA-N 0 0 387.819 4.764 50 0 GJAARN COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1 ZINC000067339920 211008320 /nfs/dbraw/zinc/00/83/20/211008320.db2.gz LTYPDNWAVCMIIJ-VOTSOKGWSA-N 0 0 385.803 4.533 50 0 GJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C)c2)nc1 ZINC000067294217 211007271 /nfs/dbraw/zinc/00/72/71/211007271.db2.gz DVTYJZJWHJSHID-BZZOAKBMSA-N 0 0 385.423 4.635 50 0 GJAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1Cl ZINC000067293294 211007116 /nfs/dbraw/zinc/00/71/16/211007116.db2.gz LNBMDZLZYDRQPU-FLFQWRMESA-N 0 0 391.814 4.672 50 0 GJAARN c1ccc(CCCNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067262220 211006897 /nfs/dbraw/zinc/00/68/97/211006897.db2.gz OERGRUNRGULFLM-UHFFFAOYSA-N 0 0 379.467 4.989 50 0 GJAARN CCc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(OC)cc3)n2)cc1 ZINC000067257520 211005414 /nfs/dbraw/zinc/00/54/14/211005414.db2.gz AOYGOJNLQOIBEV-UHFFFAOYSA-N 0 0 393.512 4.754 50 0 GJAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1 ZINC000067259107 211005054 /nfs/dbraw/zinc/00/50/54/211005054.db2.gz UPKTWNJHFBAPKU-UHFFFAOYSA-N 0 0 382.529 4.812 50 0 GJAARN CCOc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288221 211006301 /nfs/dbraw/zinc/00/63/01/211006301.db2.gz MIZIPUTVHBWTDX-UHFFFAOYSA-N 0 0 393.462 4.621 50 0 GJAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000065515699 210997068 /nfs/dbraw/zinc/99/70/68/210997068.db2.gz BDRMIBURWDMJCX-UHFFFAOYSA-N 0 0 381.426 4.538 50 0 GJAARN Cc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064949751 210955802 /nfs/dbraw/zinc/95/58/02/210955802.db2.gz JIMOVGXMPIFMPM-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(C)cc4)cc3)ccc21 ZINC000065026832 210962267 /nfs/dbraw/zinc/96/22/67/210962267.db2.gz YRFHZHGBSPHKPZ-UHFFFAOYSA-N 0 0 398.506 4.891 50 0 GJAARN CCOc1ccc(CNC(=O)c2ccc(-c3ccc(C)cc3)nc2)cc1OCC ZINC000065030110 210961879 /nfs/dbraw/zinc/96/18/79/210961879.db2.gz SUURVXNREUCNRA-UHFFFAOYSA-N 0 0 390.483 4.784 50 0 GJAARN CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CCC(C)CC4)cc3)ccc21 ZINC000065026907 210961365 /nfs/dbraw/zinc/96/13/65/210961365.db2.gz DDPJBAJGLARGOB-UHFFFAOYSA-N 0 0 390.527 4.771 50 0 GJAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3)n2)cc1 ZINC000064579632 210941620 /nfs/dbraw/zinc/94/16/20/210941620.db2.gz COFONVWIFPSLTH-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN COc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3cccc(C)c3)c2c1 ZINC000064473991 210939652 /nfs/dbraw/zinc/93/96/52/210939652.db2.gz GHMDAIRZNFTTPO-UHFFFAOYSA-N 0 0 375.472 4.922 50 0 GJAARN Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)oc2c1c(C)ccc2C ZINC000064172382 210939210 /nfs/dbraw/zinc/93/92/10/210939210.db2.gz DLIGAAGTTZUVBI-CYBMUJFWSA-N 0 0 386.835 4.590 50 0 GJAARN CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3C)c3cc(C)cc(C)c3n2)cn1 ZINC000063882706 210936171 /nfs/dbraw/zinc/93/61/71/210936171.db2.gz QVBBQUVRDOYNKR-QGZVFWFLSA-N 0 0 376.504 4.750 50 0 GJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cccc(F)c1 ZINC000057487259 210900029 /nfs/dbraw/zinc/90/00/29/210900029.db2.gz MEOXBMLNAJAHKA-UHFFFAOYSA-N 0 0 396.809 4.636 50 0 GJAARN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000053471606 210873563 /nfs/dbraw/zinc/87/35/63/210873563.db2.gz ZUBBXHATLLXDNR-CQSZACIVSA-N 0 0 396.466 4.672 50 0 GJAARN O=C(N[C@@H](CCO)c1cccs1)OCC1c2ccccc2-c2ccccc21 ZINC000044197882 210812578 /nfs/dbraw/zinc/81/25/78/210812578.db2.gz BTSIWOFTHKONFH-FQEVSTJZSA-N 0 0 379.481 4.710 50 0 GJAARN O=C(CSCc1coc(-c2ccccc2)n1)NCCc1cccc(Cl)c1 ZINC000044329340 210811997 /nfs/dbraw/zinc/81/19/97/210811997.db2.gz JKRNQOAAGFBCKS-UHFFFAOYSA-N 0 0 386.904 4.587 50 0 GJAARN CCNC(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccc(F)cc1F ZINC000037546991 210743876 /nfs/dbraw/zinc/74/38/76/210743876.db2.gz KEPINIOSLCUVGY-UHFFFAOYSA-N 0 0 399.441 4.628 50 0 GJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cc(=O)c(OCc2ccccc2)co1 ZINC000036358566 210722940 /nfs/dbraw/zinc/72/29/40/210722940.db2.gz ZAWGCVYOAXTMCJ-UHFFFAOYSA-N 0 0 390.222 4.778 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912536 210672704 /nfs/dbraw/zinc/67/27/04/210672704.db2.gz QYQBQVFAOTYLOH-UHFFFAOYSA-N 0 0 379.822 4.975 50 0 GJAARN COc1cccc(NC(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC000033312701 210642324 /nfs/dbraw/zinc/64/23/24/210642324.db2.gz GLZGWCLIMXUBKG-UHFFFAOYSA-N 0 0 376.391 4.793 50 0 GJAARN CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2cccc(C)c2n1 ZINC000033026033 210616723 /nfs/dbraw/zinc/61/67/23/210616723.db2.gz ZXDIKFYYKGVNEB-UHFFFAOYSA-N 0 0 395.528 4.670 50 0 GJAARN Cc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000033012568 210614593 /nfs/dbraw/zinc/61/45/93/210614593.db2.gz AKUPRAJAWXRBLC-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN CC[C@@H](NC(=O)CSCc1csc(C)n1)c1ccccc1OC(F)F ZINC000032914578 210603352 /nfs/dbraw/zinc/60/33/52/210603352.db2.gz HLPRBYVVTJVDKC-CQSZACIVSA-N 0 0 386.489 4.554 50 0 GJAARN Cc1cccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)n1 ZINC000032879604 210597773 /nfs/dbraw/zinc/59/77/73/210597773.db2.gz OOFPSXCFLYVVMW-UHFFFAOYSA-N 0 0 385.471 4.943 50 0 GJAARN CCC(=O)Nc1nc2ccc(CC(=O)Nc3cccc(SC)c3)cc2s1 ZINC000032959656 210607503 /nfs/dbraw/zinc/60/75/03/210607503.db2.gz PMZAWYSYSKHPEX-UHFFFAOYSA-N 0 0 385.514 4.548 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 ZINC000032656561 210580425 /nfs/dbraw/zinc/58/04/25/210580425.db2.gz IDNPKOCHDZFVHX-UHFFFAOYSA-N 0 0 395.890 4.974 50 0 GJAARN Cc1cc(C)c2c(n1)oc1c2ncnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000032074743 210570899 /nfs/dbraw/zinc/57/08/99/210570899.db2.gz SSVPKYJEPGJOKU-UHFFFAOYSA-N 0 0 398.875 4.772 50 0 GJAARN COc1cccc(CNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000030988014 210560960 /nfs/dbraw/zinc/56/09/60/210560960.db2.gz ZRKJVHWOZZPHGL-QFIPXVFZSA-N 0 0 399.494 4.808 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)c3cccc(N4CCOC4=O)c3)n2)cc1C ZINC000040128929 210530857 /nfs/dbraw/zinc/53/08/57/210530857.db2.gz VCJLSPOWXMQFOO-UHFFFAOYSA-N 0 0 393.468 4.636 50 0 GJAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(C)C ZINC000027408989 210513769 /nfs/dbraw/zinc/51/37/69/210513769.db2.gz KPZPTUCRMSFCRI-MBSDFSHPSA-N 0 0 388.511 4.780 50 0 GJAARN COc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc(OC)c1 ZINC000026531972 210499295 /nfs/dbraw/zinc/49/92/95/210499295.db2.gz FZDRHLRPFPSQEB-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000025379362 210482422 /nfs/dbraw/zinc/48/24/22/210482422.db2.gz XOWVJYXYZQNBLO-UHFFFAOYSA-N 0 0 381.304 4.730 50 0 GJAARN Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000021787693 210393671 /nfs/dbraw/zinc/39/36/71/210393671.db2.gz MUYUPTNDLUUCCJ-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000021800516 210393262 /nfs/dbraw/zinc/39/32/62/210393262.db2.gz CWIVOUAPATUVQQ-HNNXBMFYSA-N 0 0 379.460 4.749 50 0 GJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccncc2)cc1 ZINC000021715817 210392012 /nfs/dbraw/zinc/39/20/12/210392012.db2.gz OFKDRCIPWXMXHB-DEOSSOPVSA-N 0 0 397.478 4.750 50 0 GJAARN COc1ccc(OC)c(-c2n[nH]cc2CN2CCC[C@H]2c2cc(C(C)C)on2)c1 ZINC000021720037 210391423 /nfs/dbraw/zinc/39/14/23/210391423.db2.gz ALZXTIOFUVRNQL-IBGZPJMESA-N 0 0 396.491 4.542 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(F)cc1)CC(=O)N2 ZINC000021661003 210389752 /nfs/dbraw/zinc/38/97/52/210389752.db2.gz GIOLVSAJPFYPEL-HNNXBMFYSA-N 0 0 392.459 4.712 50 0 GJAARN O=C(NCCc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021711587 210389237 /nfs/dbraw/zinc/38/92/37/210389237.db2.gz QYQDFPQHLGIWEG-UHFFFAOYSA-N 0 0 384.439 4.768 50 0 GJAARN CCC(=O)Nc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1 ZINC000021662785 210389382 /nfs/dbraw/zinc/38/93/82/210389382.db2.gz ZUVSLTYPFNUSMK-UHFFFAOYSA-N 0 0 387.483 4.876 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2Cc2ccccc2)cc1 ZINC000021643513 210387775 /nfs/dbraw/zinc/38/77/75/210387775.db2.gz SGJSFQPNRKNFEC-QFIPXVFZSA-N 0 0 375.472 4.718 50 0 GJAARN Cc1ccccc1Cc1c(C)nc2c(-c3nc(-c4ccccc4)no3)cnn2c1C ZINC000021657876 210387400 /nfs/dbraw/zinc/38/74/00/210387400.db2.gz RWQBFVVYCKNZSS-UHFFFAOYSA-N 0 0 395.466 4.962 50 0 GJAARN Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)Nc3c(C)cccc3C)c2c1 ZINC000021604514 210385820 /nfs/dbraw/zinc/38/58/20/210385820.db2.gz ADVVRPLMTZQWJT-QGZVFWFLSA-N 0 0 376.456 4.652 50 0 GJAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccco1)[C@@H]3c1ccc(F)cc1 ZINC000021779875 210394004 /nfs/dbraw/zinc/39/40/04/210394004.db2.gz XUGPQIYCYYECPR-JOCHJYFZSA-N 0 0 390.414 4.697 50 0 GJAARN COc1cccc(-n2c(C)c(C)c3c4nc(-c5ccc(C)cc5)nn4cnc32)c1 ZINC000021801295 210393979 /nfs/dbraw/zinc/39/39/79/210393979.db2.gz FGHACILEXWDLRG-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Br)cc2)n1-c1ccccc1 ZINC000021108341 210378497 /nfs/dbraw/zinc/37/84/97/210378497.db2.gz AMCVXHRUIUUJQA-GOSISDBHSA-N 0 0 380.245 4.615 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)N1CCn2cccc2[C@H]1Cc1ccccc1 ZINC000021051400 210376874 /nfs/dbraw/zinc/37/68/74/210376874.db2.gz XLNQBVZDTWBFBW-HXUWFJFHSA-N 0 0 395.890 4.982 50 0 GJAARN CCOc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccccc2Cl)cc1 ZINC000021105423 210376367 /nfs/dbraw/zinc/37/63/67/210376367.db2.gz IJGBBFZFVZRHLX-HXUWFJFHSA-N 0 0 379.847 4.905 50 0 GJAARN CCc1c(C)sc2c1CCN(CC(=O)NCCC(C)C)[C@@H]2c1ccccc1 ZINC000021045472 210376389 /nfs/dbraw/zinc/37/63/89/210376389.db2.gz KMNZNYNEPFRLKR-JOCHJYFZSA-N 0 0 384.589 4.729 50 0 GJAARN Cc1cccc(-c2nc(SCc3cc(=O)c4ccc(C)c(C)c4[nH]3)n[nH]2)c1 ZINC000021098757 210375970 /nfs/dbraw/zinc/37/59/70/210375970.db2.gz OYEJQKDWILCKKG-UHFFFAOYSA-N 0 0 376.485 4.531 50 0 GJAARN CC(C)CCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 ZINC000021361803 210382597 /nfs/dbraw/zinc/38/25/97/210382597.db2.gz FSFJQFBCBPLWLC-UHFFFAOYSA-N 0 0 383.879 4.850 50 0 GJAARN Cc1ccc2[nH]c(C(=O)NCc3ccccc3)c(NC(=O)c3cccc(C)c3)c2c1 ZINC000021362118 210381436 /nfs/dbraw/zinc/38/14/36/210381436.db2.gz HNLIJPBQCPBQEK-UHFFFAOYSA-N 0 0 397.478 4.967 50 0 GJAARN Cc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000021031638 210373890 /nfs/dbraw/zinc/37/38/90/210373890.db2.gz LWXIFVRGLKIVNA-UHFFFAOYSA-N 0 0 377.410 4.572 50 0 GJAARN COc1cccc([C@H](CC(=O)Nc2cccc(-c3ccno3)c2)n2cccc2)c1 ZINC000020998552 210373707 /nfs/dbraw/zinc/37/37/07/210373707.db2.gz QNLKBWFAZCOPPI-NRFANRHFSA-N 0 0 387.439 4.770 50 0 GJAARN CCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000020938938 210370486 /nfs/dbraw/zinc/37/04/86/210370486.db2.gz VDLKMEZDFXKRKX-QFIPXVFZSA-N 0 0 377.488 4.552 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000020899936 210367244 /nfs/dbraw/zinc/36/72/44/210367244.db2.gz PLBVJPOKXYRYFL-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018918 210375584 /nfs/dbraw/zinc/37/55/84/210375584.db2.gz XFHTVSJDTHWFIA-FQEVSTJZSA-N 0 0 394.833 4.689 50 0 GJAARN O=C(CCc1nnc(C2CCCCC2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000020780039 210361352 /nfs/dbraw/zinc/36/13/52/210361352.db2.gz 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ZINC000020502521 210344016 /nfs/dbraw/zinc/34/40/16/210344016.db2.gz COKXQOHOOOQDEU-ZDUSSCGKSA-N 0 0 381.859 4.848 50 0 GJAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)C1(c2ccccc2)CCCC1 ZINC000020509790 210344043 /nfs/dbraw/zinc/34/40/43/210344043.db2.gz BCFSREGOGIIDIW-UHFFFAOYSA-N 0 0 384.907 4.627 50 0 GJAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3cc(-c4cccc(F)c4)no3)c1CO2 ZINC000020510056 210344139 /nfs/dbraw/zinc/34/41/39/210344139.db2.gz SHYPLIFNPRRECN-UHFFFAOYSA-N 0 0 391.358 4.589 50 0 GJAARN O=c1cc(CSc2ccc(Cl)cc2)nc2sc(-c3cccs3)nn21 ZINC000020332351 210328230 /nfs/dbraw/zinc/32/82/30/210328230.db2.gz PZZKFWYFMMATPS-UHFFFAOYSA-N 0 0 391.930 4.825 50 0 GJAARN O=C(Cc1ccccc1)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000020444316 210333158 /nfs/dbraw/zinc/33/31/58/210333158.db2.gz ACBYQYJCIKDIFZ-UHFFFAOYSA-N 0 0 392.846 4.687 50 0 GJAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1)CO3 ZINC000020412320 210332188 /nfs/dbraw/zinc/33/21/88/210332188.db2.gz WDNRGUIMKTVINK-UHFFFAOYSA-N 0 0 383.875 4.766 50 0 biogenic GJAARN O=c1oc2c(cc(Cl)c3c2CN(Cc2ccccc2F)CO3)c2c1CCCC2 ZINC000020403835 210331662 /nfs/dbraw/zinc/33/16/62/210331662.db2.gz RDMRKCCBHCTXGJ-UHFFFAOYSA-N 0 0 399.849 4.816 50 0 GJAARN O=C(NC1CCCCC1)N(Cc1nc(-c2cccs2)no1)C1CCCCC1 ZINC000020103600 210316439 /nfs/dbraw/zinc/31/64/39/210316439.db2.gz FKRRULZCPMTXGQ-UHFFFAOYSA-N 0 0 388.537 4.975 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)O1 ZINC000020031879 210311822 /nfs/dbraw/zinc/31/18/22/210311822.db2.gz YKMXWUFKOMSNAF-HNNXBMFYSA-N 0 0 381.215 4.567 50 0 GJAARN Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)OCO3)c1 ZINC000019794623 210297738 /nfs/dbraw/zinc/29/77/38/210297738.db2.gz RMHXLUZUOQIXEZ-VWLOTQADSA-N 0 0 398.462 4.750 50 0 GJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2c(Cl)cccc12 ZINC000019928926 210308510 /nfs/dbraw/zinc/30/85/10/210308510.db2.gz WHWJKSANMYTIMO-UHFFFAOYSA-N 0 0 380.875 4.578 50 0 GJAARN O=C(Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1Cl)c1ccco1 ZINC000019855363 210305284 /nfs/dbraw/zinc/30/52/84/210305284.db2.gz 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/nfs/dbraw/zinc/59/30/37/220593037.db2.gz PYMNAJOEJKSECR-UHFFFAOYSA-N 0 0 376.909 4.954 50 0 GJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000008280278 221034882 /nfs/dbraw/zinc/03/48/82/221034882.db2.gz XBLYURHNSQUCIJ-UHFFFAOYSA-N 0 0 377.469 4.697 50 0 GJAARN C[C@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000010358870 221101511 /nfs/dbraw/zinc/10/15/11/221101511.db2.gz OXSPUMQTJXLOMR-AWEZNQCLSA-N 0 0 384.457 4.543 50 0 GJAARN CC1CCN(S(=O)(=O)c2ccc(-c3csc(-c4ccccc4)n3)cc2)CC1 ZINC000011916944 221137553 /nfs/dbraw/zinc/13/75/53/221137553.db2.gz CEBUAVAKWVYEFU-UHFFFAOYSA-N 0 0 398.553 4.898 50 0 GJAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1C ZINC000011933515 221137905 /nfs/dbraw/zinc/13/79/05/221137905.db2.gz QQOCDHUQMCACCP-GOSISDBHSA-N 0 0 385.529 4.671 50 0 GJAARN COc1ccc(OC)c(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)c1 ZINC000012072821 221147297 /nfs/dbraw/zinc/14/72/97/221147297.db2.gz LMPBFQFMUMKPNJ-SFHVURJKSA-N 0 0 399.516 4.851 50 0 GJAARN COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1Cl ZINC000012786874 221231998 /nfs/dbraw/zinc/23/19/98/221231998.db2.gz UQNJJXDRJMIOKH-LLVKDONJSA-N 0 0 384.259 4.725 50 0 GJAARN CCn1c(=S)n(CN2CCC[C@@H]2c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000012818965 221235656 /nfs/dbraw/zinc/23/56/56/221235656.db2.gz TVCFECBQRNLNGB-HXUWFJFHSA-N 0 0 394.544 4.904 50 0 GJAARN COC(=O)[C@@H]1CCCN1Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000015063944 221327314 /nfs/dbraw/zinc/32/73/14/221327314.db2.gz ZTFMIEWPEWFRIZ-NRFANRHFSA-N 0 0 392.455 4.580 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)c1 ZINC000040128148 132398326 /nfs/dbraw/zinc/39/83/26/132398326.db2.gz JLPBOWYAEAEYIE-MRXNPFEDSA-N 0 0 391.437 4.881 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)c1 ZINC000040128149 132398373 /nfs/dbraw/zinc/39/83/73/132398373.db2.gz JLPBOWYAEAEYIE-INIZCTEOSA-N 0 0 391.437 4.881 50 0 GJAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC4CCCCC4)ccc32)c1 ZINC000046078641 132426107 /nfs/dbraw/zinc/42/61/07/132426107.db2.gz PPHYARCXHXPMET-UHFFFAOYSA-N 0 0 376.500 4.651 50 0 GJAARN CC(=O)c1ccc(N2CCN(Cc3nc(-c4sccc4C)oc3C)CC2)cc1 ZINC000055270948 132444932 /nfs/dbraw/zinc/44/49/32/132444932.db2.gz UJAIEOZCJGENBX-UHFFFAOYSA-N 0 0 395.528 4.545 50 0 GJAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N[C@@H]1CCOc2ccccc21 ZINC000058023120 136154290 /nfs/dbraw/zinc/15/42/90/136154290.db2.gz VFLJVYHXPZVESC-GOSISDBHSA-N 0 0 385.895 4.976 50 0 GJAARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N[C@H]1CCOc2ccccc21 ZINC000058023122 136154362 /nfs/dbraw/zinc/15/43/62/136154362.db2.gz VFLJVYHXPZVESC-SFHVURJKSA-N 0 0 385.895 4.976 50 0 GJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000058314066 136155201 /nfs/dbraw/zinc/15/52/01/136155201.db2.gz AQWDAGLAUJGSRH-UHFFFAOYSA-N 0 0 377.492 4.563 50 0 GJAARN CC1CCN(C(=O)C[C@@H]2COc3ccc(Cl)cc3N2Cc2ccccc2)CC1 ZINC000064663724 136157344 /nfs/dbraw/zinc/15/73/44/136157344.db2.gz SNIFAWMSXDUAQY-HXUWFJFHSA-N 0 0 398.934 4.756 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCc3ccccc32)c2ccccc2)s1 ZINC000064676718 136157417 /nfs/dbraw/zinc/15/74/17/136157417.db2.gz HZFORTGAFPVSAA-OAQYLSRUSA-N 0 0 390.508 4.507 50 0 GJAARN O=C(CCC1CCCC1)N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000064676710 136157501 /nfs/dbraw/zinc/15/75/01/136157501.db2.gz NCTGPUQGBJWAGK-XMMPIXPASA-N 0 0 390.527 4.794 50 0 GJAARN Cc1cc(Nc2ccc(NC(=O)c3cccs3)cc2)nc(N2CCCCC2)n1 ZINC000064800966 136157884 /nfs/dbraw/zinc/15/78/84/136157884.db2.gz WMQHYVAYVLRFRD-UHFFFAOYSA-N 0 0 393.516 4.833 50 0 GJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023645 136158716 /nfs/dbraw/zinc/15/87/16/136158716.db2.gz USCYWMOWDANZGX-QGZVFWFLSA-N 0 0 392.890 4.652 50 0 GJAARN CCOC(=O)c1sc2nc(C)nc(N3CCCC[C@@H]3c3ccco3)c2c1C ZINC000095397839 136179183 /nfs/dbraw/zinc/17/91/83/136179183.db2.gz RTGMXCVQLIOIMU-CQSZACIVSA-N 0 0 385.489 4.809 50 0 GJAARN C[C@H]1CN(c2nc(-c3cccs3)nc3nc(-c4ccccc4)oc32)C[C@H](C)O1 ZINC000096346090 136186593 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Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(O)cc3)C2=O)c(C)c1 ZINC000006063649 136195122 /nfs/dbraw/zinc/19/51/22/136195122.db2.gz DAGIUYJCGWEELQ-KGENOOAVSA-N 0 0 384.435 4.649 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1N1CCCCC1 ZINC000006249863 136195136 /nfs/dbraw/zinc/19/51/36/136195136.db2.gz NYSFWPCUHLITPG-UHFFFAOYSA-N 0 0 387.911 4.698 50 0 GJAARN O=C(/C=C/c1sc2ccccc2c1Cl)N1CCN(c2ccccc2)CC1 ZINC000006822291 136195228 /nfs/dbraw/zinc/19/52/28/136195228.db2.gz FMKSDNCNLQDKGI-ZHACJKMWSA-N 0 0 382.916 4.917 50 0 GJAARN O=C(CSc1c(Cl)cccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000007096662 136195367 /nfs/dbraw/zinc/19/53/67/136195367.db2.gz AMWZDURGJRFKKS-UHFFFAOYSA-N 0 0 399.318 4.573 50 0 GJAARN Cc1ccc(N2C(C)=CC(C)(C)N=C2SCC(=O)NCc2ccccc2)cc1 ZINC000105423587 136196806 /nfs/dbraw/zinc/19/68/06/136196806.db2.gz MHAJOKPDLPBLAO-UHFFFAOYSA-N 0 0 393.556 4.903 50 0 GJAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000206656585 136202843 /nfs/dbraw/zinc/20/28/43/136202843.db2.gz 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Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000000674184 570216007 /nfs/dbraw/zinc/21/60/07/570216007.db2.gz PUVQSHARRQIQOK-UHFFFAOYSA-N 0 0 395.484 4.748 50 0 GJAARN COC(=O)c1cc(Cl)c(NC(=O)N2CCC[C@H]2c2ccsc2)cc1OC ZINC000048112945 570218576 /nfs/dbraw/zinc/21/85/76/570218576.db2.gz SJNNEPHKBYTPGV-HNNXBMFYSA-N 0 0 394.880 4.566 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 ZINC000000702209 570218640 /nfs/dbraw/zinc/21/86/40/570218640.db2.gz TZDQILIFYGWZRB-UHFFFAOYSA-N 0 0 392.451 4.564 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(F)c(Cl)c1 ZINC000000707313 570218860 /nfs/dbraw/zinc/21/88/60/570218860.db2.gz WQSWPHVLVDFDLD-HXUWFJFHSA-N 0 0 396.805 4.979 50 0 GJAARN CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccs1 ZINC000000710676 570219259 /nfs/dbraw/zinc/21/92/59/570219259.db2.gz GIOCZGMITCJOSY-UHFFFAOYSA-N 0 0 397.496 4.554 50 0 GJAARN Cc1ccc(OCc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000000715000 570219681 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COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000019834331 570223799 /nfs/dbraw/zinc/22/37/99/570223799.db2.gz DZKNTBXSTVCOGQ-SIKLNZKXSA-N 0 0 391.858 4.986 50 0 GJAARN O=C(NCc1ccco1)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000000795647 570223961 /nfs/dbraw/zinc/22/39/61/570223961.db2.gz HZTCMRZCSBGGIR-UHFFFAOYSA-N 0 0 398.459 4.541 50 0 GJAARN O=C(COc1cccc2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000803449 570224371 /nfs/dbraw/zinc/22/43/71/570224371.db2.gz SKXIKNXZHGONLG-UHFFFAOYSA-N 0 0 386.407 4.703 50 0 GJAARN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccccn2)n1 ZINC000000813424 570224778 /nfs/dbraw/zinc/22/47/78/570224778.db2.gz XLMXELBARURUGA-UHFFFAOYSA-N 0 0 393.497 4.966 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000011905621 570227390 /nfs/dbraw/zinc/22/73/90/570227390.db2.gz QZFDLZAMEGFOKR-UHFFFAOYSA-N 0 0 393.512 4.600 50 0 GJAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(Cl)cc1 ZINC000000888484 570228291 /nfs/dbraw/zinc/22/82/91/570228291.db2.gz 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ZINC000000945527 570230687 /nfs/dbraw/zinc/23/06/87/570230687.db2.gz OXGWRHROAXICAJ-UHFFFAOYSA-N 0 0 391.452 4.511 50 0 GJAARN O=C(c1cccs1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019933597 570231054 /nfs/dbraw/zinc/23/10/54/570231054.db2.gz BOYLFUZMPFVYNA-UHFFFAOYSA-N 0 0 398.478 4.574 50 0 GJAARN COc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)sc2c1 ZINC000000951178 570231148 /nfs/dbraw/zinc/23/11/48/570231148.db2.gz CMUSTTDSLJAQQZ-LLVKDONJSA-N 0 0 376.865 4.673 50 0 GJAARN COc1ccc(-c2cc(=O)c3cc(OC(=O)c4cccc(C)c4)ccc3o2)cc1 ZINC000000955668 570231448 /nfs/dbraw/zinc/23/14/48/570231448.db2.gz PHPTWJRFWGAQAC-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 GJAARN COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000000992988 570233966 /nfs/dbraw/zinc/23/39/66/570233966.db2.gz BERFVGIJAKLHIG-MRXNPFEDSA-N 0 0 375.424 4.598 50 0 GJAARN COc1cccc(C(=O)Nc2ccc(OCC(=O)c3ccc(C)cc3)cc2)c1 ZINC000000993078 570234001 /nfs/dbraw/zinc/23/40/01/570234001.db2.gz ZLLBRVMXNUWYEV-UHFFFAOYSA-N 0 0 375.424 4.518 50 0 GJAARN COc1cc(NC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000043170535 570234131 /nfs/dbraw/zinc/23/41/31/570234131.db2.gz HVRSLOVMQSWVNY-SNVBAGLBSA-N 0 0 399.274 4.902 50 0 GJAARN NC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCCCCC2 ZINC000000996128 570234329 /nfs/dbraw/zinc/23/43/29/570234329.db2.gz BMUIBUTWXWSWHR-ZHACJKMWSA-N 0 0 388.920 4.811 50 0 GJAARN Cc1cccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)c1C ZINC000000997881 570234378 /nfs/dbraw/zinc/23/43/78/570234378.db2.gz PMRBPEUNOCUECL-UHFFFAOYSA-N 0 0 398.506 4.890 50 0 GJAARN CCSc1nnc(NC(=O)c2c(C)onc2-c2ccccc2Cl)s1 ZINC000000996661 570234539 /nfs/dbraw/zinc/23/45/39/570234539.db2.gz XWTFXNCYNFNPLU-UHFFFAOYSA-N 0 0 380.882 4.519 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc(OC(C)C)n1 ZINC000011613266 570234702 /nfs/dbraw/zinc/23/47/02/570234702.db2.gz YLHPEKNEUILPND-NTEUORMPSA-N 0 0 388.471 4.968 50 0 GJAARN COC(Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1)OC ZINC000001031592 570235886 /nfs/dbraw/zinc/23/58/86/570235886.db2.gz 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/nfs/dbraw/zinc/23/98/12/570239812.db2.gz BJQROTPEGXBWDC-UHFFFAOYSA-N 0 0 377.421 4.782 50 0 GJAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CCCC2)CC[C@@H](C)C3)c1 ZINC000001064412 570239921 /nfs/dbraw/zinc/23/99/21/570239921.db2.gz WTYUVFGJECPZLZ-OAHLLOKOSA-N 0 0 382.529 4.670 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2C)sc2c1CCCC2 ZINC000001066669 570240260 /nfs/dbraw/zinc/24/02/60/570240260.db2.gz HDLUKJPCQBRRPT-AWEZNQCLSA-N 0 0 387.501 4.518 50 0 GJAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCc3ccc(F)cc3)c2c1 ZINC000001073620 570240829 /nfs/dbraw/zinc/24/08/29/570240829.db2.gz MXNBOMRISZQJTR-UHFFFAOYSA-N 0 0 385.442 4.717 50 0 GJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1cccs1 ZINC000001104281 570241804 /nfs/dbraw/zinc/24/18/04/570241804.db2.gz NZKLIQYOZBDQJH-UHFFFAOYSA-N 0 0 399.855 4.656 50 0 GJAARN Cc1cc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)ccc1Br ZINC000001109336 570242460 /nfs/dbraw/zinc/24/24/60/570242460.db2.gz WLTYLBUBHJYFMT-UHFFFAOYSA-N 0 0 390.321 4.964 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000001116582 570243137 /nfs/dbraw/zinc/24/31/37/570243137.db2.gz CHRDRFXJLCSXOX-UHFFFAOYSA-N 0 0 389.860 4.942 50 0 GJAARN COc1ccc(-c2ccc(-c3noc(-c4ccc(F)cc4)n3)c(OC)n2)cc1 ZINC000001119958 570243564 /nfs/dbraw/zinc/24/35/64/570243564.db2.gz GOFFCUAEKUQOLI-UHFFFAOYSA-N 0 0 377.375 4.622 50 0 GJAARN COc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccc(C)c(C)c2)c1 ZINC000001122925 570243845 /nfs/dbraw/zinc/24/38/45/570243845.db2.gz LYXAHIKVUYNQGA-UHFFFAOYSA-N 0 0 389.451 4.561 50 0 GJAARN CC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000001125674 570244238 /nfs/dbraw/zinc/24/42/38/570244238.db2.gz KFYGJZQFQPQLJJ-UHFFFAOYSA-N 0 0 398.418 4.963 50 0 GJAARN CC[C@H](C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000001127758 570244929 /nfs/dbraw/zinc/24/49/29/570244929.db2.gz UKQUTOIQDBEOMG-INIZCTEOSA-N 0 0 387.892 4.903 50 0 GJAARN CC1(C)Cc2c3c(N)c(C(=O)c4ccccc4)oc3nc(-c3ccoc3)c2CO1 ZINC000001132124 570245889 /nfs/dbraw/zinc/24/58/89/570245889.db2.gz 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570249410 /nfs/dbraw/zinc/24/94/10/570249410.db2.gz WHVWWDWLWLHYJW-INIZCTEOSA-N 0 0 376.909 4.885 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000001156851 570250235 /nfs/dbraw/zinc/25/02/35/570250235.db2.gz KNAYNAFXRYBNTA-JTQLQIEISA-N 0 0 383.662 4.638 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000001156737 570250321 /nfs/dbraw/zinc/25/03/21/570250321.db2.gz MPEPPXOMNYIXTA-QFIPXVFZSA-N 0 0 394.430 4.785 50 0 GJAARN COc1ccc(-c2c(=O)c3ccc(OC(C)=O)c(C)c3oc2C(F)(F)F)cc1 ZINC000001158612 570250992 /nfs/dbraw/zinc/25/09/92/570250992.db2.gz UXRKSGFCUSZRPM-UHFFFAOYSA-N 0 0 392.329 4.721 50 0 GJAARN CC(C)(C)[C@H](NC(=O)Nc1ccc(CN2CCOC2=O)cc1)c1cccs1 ZINC000048234859 570251958 /nfs/dbraw/zinc/25/19/58/570251958.db2.gz WBIICGIPGYHLCF-QGZVFWFLSA-N 0 0 387.505 4.609 50 0 GJAARN CCc1ccc(Nc2nnc(-c3cc4cccc(OC)c4oc3=O)s2)cc1 ZINC000001167651 570252720 /nfs/dbraw/zinc/25/27/20/570252720.db2.gz LDEVEEZQQXWFNB-UHFFFAOYSA-N 0 0 379.441 4.626 50 0 GJAARN COc1cccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1OC ZINC000001509242 570253571 /nfs/dbraw/zinc/25/35/71/570253571.db2.gz AGZKEDUVDMTNJT-HKWRFOASSA-N 0 0 385.419 4.715 50 0 GJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1cc(C)cc(C)c1)CC(=O)N2 ZINC000001509752 570253580 /nfs/dbraw/zinc/25/35/80/570253580.db2.gz RSNFADCOLGXFNB-XMMPIXPASA-N 0 0 384.479 4.796 50 0 GJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000020367852 570253595 /nfs/dbraw/zinc/25/35/95/570253595.db2.gz VNCWDXBNEHRESL-UHFFFAOYSA-N 0 0 397.525 4.605 50 0 GJAARN CCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000001179940 570254727 /nfs/dbraw/zinc/25/47/27/570254727.db2.gz YNLAXTYRAKQMEH-UHFFFAOYSA-N 0 0 375.906 4.840 50 0 GJAARN Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(Cc1ccccc1)C2 ZINC000020432003 570255542 /nfs/dbraw/zinc/25/55/42/570255542.db2.gz LUEXTQZEWNFRIZ-UHFFFAOYSA-N 0 0 382.916 4.773 50 0 GJAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000001182864 570255839 /nfs/dbraw/zinc/25/58/39/570255839.db2.gz 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ZINC000020455367 570258528 /nfs/dbraw/zinc/25/85/28/570258528.db2.gz IVUWMVGPKYDVIE-IDOMTICXSA-N 0 0 384.501 4.726 50 0 GJAARN CC(C)CNC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001216168 570258578 /nfs/dbraw/zinc/25/85/78/570258578.db2.gz JAUGEEAFWVPZQA-UHFFFAOYSA-N 0 0 386.495 4.843 50 0 GJAARN Cc1ccccc1C(=O)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl ZINC000001230989 570259309 /nfs/dbraw/zinc/25/93/09/570259309.db2.gz HDUFOEGJRYWJSQ-OAHLLOKOSA-N 0 0 375.658 4.672 50 0 GJAARN CN(C)C(=O)c1ccc(-c2nnc(NCc3ccccc3)c3ccccc32)cc1 ZINC000001251149 570259667 /nfs/dbraw/zinc/25/96/67/570259667.db2.gz HBNHQYPUZKZKNT-UHFFFAOYSA-N 0 0 382.467 4.611 50 0 aggregator GJAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)Nc1ccccc1F ZINC000001308594 570260514 /nfs/dbraw/zinc/26/05/14/570260514.db2.gz ROENLHRVPBQENO-UHFFFAOYSA-N 0 0 378.429 4.753 50 0 GJAARN C[C@H](NC(=O)CCc1cccc(Cl)c1Cl)c1nc(C2CCCC2)no1 ZINC000072303705 570260632 /nfs/dbraw/zinc/26/06/32/570260632.db2.gz BURRECBGMOIJOE-NSHDSACASA-N 0 0 382.291 4.844 50 0 GJAARN Cc1ccc(N2C[C@H](c3noc(-c4ccc(C(C)(C)C)cc4)n3)CC2=O)cc1 ZINC000049060467 570262454 /nfs/dbraw/zinc/26/24/54/570262454.db2.gz YBHMVFWJYOLLNQ-QGZVFWFLSA-N 0 0 375.472 4.863 50 0 GJAARN Fc1cccc(Cl)c1CN1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049363163 570263230 /nfs/dbraw/zinc/26/32/30/570263230.db2.gz UWUNIXPTPOTFKJ-UHFFFAOYSA-N 0 0 377.872 4.970 50 0 GJAARN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 ZINC000001468213 570263902 /nfs/dbraw/zinc/26/39/02/570263902.db2.gz HAOHTUKXGKKIQQ-UHFFFAOYSA-N 0 0 393.237 4.613 50 0 GJAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c(C)c1 ZINC000001510656 570264261 /nfs/dbraw/zinc/26/42/61/570264261.db2.gz VYCYPXQWSXYAHH-SNDHGLFQSA-N 0 0 379.459 4.700 50 0 GJAARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000001516628 570264929 /nfs/dbraw/zinc/26/49/29/570264929.db2.gz MUWRRSUCZSLPCF-UHFFFAOYSA-N 0 0 385.448 4.688 50 0 GJAARN COc1cccc(N2C[C@@H](C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c1 ZINC000012848629 570265561 /nfs/dbraw/zinc/26/55/61/570265561.db2.gz JMLVQOLUCVOTIE-KRWDZBQOSA-N 0 0 394.515 4.934 50 0 GJAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CCC2 ZINC000001773370 570268068 /nfs/dbraw/zinc/26/80/68/570268068.db2.gz CHESTSWDDBABAQ-UHFFFAOYSA-N 0 0 387.501 4.520 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OCC)cc2)sc2c1CCCC2 ZINC000001771199 570268078 /nfs/dbraw/zinc/26/80/78/570268078.db2.gz WJOHQUJQBXCRKO-SDNWHVSQSA-N 0 0 399.512 4.854 50 0 GJAARN COc1ccc(NC(=O)c2cc(OC)c3cc(Cl)ccc3n2)cc1Cl ZINC000015829222 570268108 /nfs/dbraw/zinc/26/81/08/570268108.db2.gz OYNCQOOPOPAMTI-UHFFFAOYSA-N 0 0 377.227 4.811 50 0 GJAARN CC(C)Cc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 ZINC000001795908 570268770 /nfs/dbraw/zinc/26/87/70/570268770.db2.gz DDLUOKQQYABEFO-UHFFFAOYSA-N 0 0 388.320 4.841 50 0 GJAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccc(Cl)cc1 ZINC000001803367 570268784 /nfs/dbraw/zinc/26/87/84/570268784.db2.gz YTEAUVHBRYODBD-UHFFFAOYSA-N 0 0 375.906 4.564 50 0 GJAARN COc1ccc(-c2cc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1OC ZINC000012868283 570269841 /nfs/dbraw/zinc/26/98/41/570269841.db2.gz YZJPULHWTVMBEO-UHFFFAOYSA-N 0 0 386.835 4.502 50 0 GJAARN CSCc1nnc(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)o1 ZINC000012868184 570269854 /nfs/dbraw/zinc/26/98/54/570269854.db2.gz KDELWCXPKFAUQY-GOSISDBHSA-N 0 0 393.578 4.662 50 0 GJAARN O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1CCCC[C@H]1O ZINC000004800358 570270536 /nfs/dbraw/zinc/27/05/36/570270536.db2.gz GHHDPVPWALEOEL-WOJBJXKFSA-N 0 0 376.389 4.848 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3cnn(C)c3)cc(C(F)F)c12 ZINC000020603912 570270665 /nfs/dbraw/zinc/27/06/65/570270665.db2.gz KLQKDNKRHUDAGV-UHFFFAOYSA-N 0 0 387.821 4.780 50 0 GJAARN O=C(NCC1CCN(c2ccccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000049522607 570270882 /nfs/dbraw/zinc/27/08/82/570270882.db2.gz AYWQENIRKUCBEL-UHFFFAOYSA-N 0 0 397.950 4.580 50 0 GJAARN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCC[C@@H]1c1cccs1 ZINC000049757641 570272281 /nfs/dbraw/zinc/27/22/81/570272281.db2.gz LSLCSXBTCOGEEP-YLJYHZDGSA-N 0 0 390.508 4.618 50 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C[C@@H](NC(=O)[C@H](C)OC(=O)/C=C/c1cccs1)c1ccc(Cl)cc1Cl ZINC000007554602 570326751 /nfs/dbraw/zinc/32/67/51/570326751.db2.gz FDWYTTUXNGQTBD-OWVOXGNYSA-N 0 0 398.311 4.877 50 0 GJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000022191288 570326898 /nfs/dbraw/zinc/32/68/98/570326898.db2.gz JEIGIGJXYQPZCP-CYBMUJFWSA-N 0 0 386.498 4.941 50 0 GJAARN Cc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)C(C)C)C2=O)c1 ZINC000034735870 570328414 /nfs/dbraw/zinc/32/84/14/570328414.db2.gz NJEJEKRUIQVIGX-UHFFFAOYSA-N 0 0 379.504 4.730 50 0 GJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(C(F)(F)F)cc1 ZINC000003126454 570329665 /nfs/dbraw/zinc/32/96/65/570329665.db2.gz AYCUSCMZRDASML-UHFFFAOYSA-N 0 0 395.768 4.980 50 0 GJAARN CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@@H](C)C2)cc1 ZINC000023704142 570330064 /nfs/dbraw/zinc/33/00/64/570330064.db2.gz IFRBSPIZRUDWKT-QGZVFWFLSA-N 0 0 394.540 4.866 50 0 GJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC000022834649 570330553 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COc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000035319261 570355298 /nfs/dbraw/zinc/35/52/98/570355298.db2.gz SDIILYPHXACNLJ-MRXNPFEDSA-N 0 0 398.850 4.768 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000008062564 570355374 /nfs/dbraw/zinc/35/53/74/570355374.db2.gz OYCHYMGYKNUQSQ-NRFANRHFSA-N 0 0 397.515 4.878 50 0 GJAARN Cc1cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)ccc1Cl ZINC000004893845 570358027 /nfs/dbraw/zinc/35/80/27/570358027.db2.gz YTYYCWMQUPMSIN-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN COc1cc2nc(-c3ccccc3)nc(N3CCCC(C)(C)C3)c2cc1OC ZINC000004898525 570358407 /nfs/dbraw/zinc/35/84/07/570358407.db2.gz ZHHCUSHCMVNJFF-UHFFFAOYSA-N 0 0 377.488 4.940 50 0 GJAARN O=C(N1CCN(c2cc(Cl)ccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004192335 570362316 /nfs/dbraw/zinc/36/23/16/570362316.db2.gz RCVQVWMKUCHALV-UHFFFAOYSA-N 0 0 393.358 4.858 50 0 GJAARN COc1cccc2[nH]c(C(=O)NCCc3cn(C(C)C)c4ccccc34)cc21 ZINC000604419386 570363060 /nfs/dbraw/zinc/36/30/60/570363060.db2.gz 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CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000024356666 570382453 /nfs/dbraw/zinc/38/24/53/570382453.db2.gz YRNWIMZNQFBWES-UHFFFAOYSA-N 0 0 377.847 4.514 50 0 GJAARN Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c2cc(=O)ccc1-2 ZINC000004961197 570382609 /nfs/dbraw/zinc/38/26/09/570382609.db2.gz KSUMAPMXYQMMJV-UHFFFAOYSA-N 0 0 387.405 4.594 50 0 GJAARN Cc1ccc2nc(Cl)c3cc(C(=O)Nc4ccccc4C(N)=O)sc3c2c1 ZINC000004961636 570383072 /nfs/dbraw/zinc/38/30/72/570383072.db2.gz UVZYWDXUASMGNG-UHFFFAOYSA-N 0 0 395.871 4.763 50 0 GJAARN O=C(Nc1ccccc1Br)c1cccc(OCc2cscn2)c1 ZINC000012974630 570383429 /nfs/dbraw/zinc/38/34/29/570383429.db2.gz LLUNFHCBBSTTLF-UHFFFAOYSA-N 0 0 389.274 4.737 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)cc1 ZINC000004551558 570383618 /nfs/dbraw/zinc/38/36/18/570383618.db2.gz PKUHOXJENXEMMM-ZJSXRUAMSA-N 0 0 386.451 4.946 50 0 GJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2cc(C)sc2C)cc1 ZINC000035511543 570388297 /nfs/dbraw/zinc/38/82/97/570388297.db2.gz 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COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)c(OC)c1 ZINC000005035569 570402645 /nfs/dbraw/zinc/40/26/45/570402645.db2.gz DVOOBPBKZHVWNJ-UHFFFAOYSA-N 0 0 396.443 4.687 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)c2cc3sc(Cl)cc3n2CC)cc1 ZINC000005036602 570403036 /nfs/dbraw/zinc/40/30/36/570403036.db2.gz YXGYBIWFAPFMFK-UHFFFAOYSA-N 0 0 376.865 4.805 50 0 GJAARN CN(CCCn1ccnc1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000121163809 570403276 /nfs/dbraw/zinc/40/32/76/570403276.db2.gz KUYVOUPCSODJFC-UHFFFAOYSA-N 0 0 384.867 4.883 50 0 GJAARN CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Br)c1O ZINC000004755356 570403373 /nfs/dbraw/zinc/40/33/73/570403373.db2.gz IEBPBZQYSJTIFA-SOFGYWHQSA-N 0 0 386.245 4.978 50 0 GJAARN Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(NC[C@H]3CCCO3)nc12 ZINC000033331384 570406794 /nfs/dbraw/zinc/40/67/94/570406794.db2.gz TYYFQQJNUVYGDR-GOSISDBHSA-N 0 0 386.455 4.851 50 0 GJAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1nccs1 ZINC000024850615 570407102 /nfs/dbraw/zinc/40/71/02/570407102.db2.gz 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ZINC000025468542 570414510 /nfs/dbraw/zinc/41/45/10/570414510.db2.gz KFGRZPWOELXPNY-UHFFFAOYSA-N 0 0 385.467 4.545 50 0 GJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1ccccc1OC(F)F ZINC000025535717 570415253 /nfs/dbraw/zinc/41/52/53/570415253.db2.gz MPZZYYYKSHFELL-UHFFFAOYSA-N 0 0 396.459 4.573 50 0 GJAARN CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1cccc(Cl)c1 ZINC000013010057 570416121 /nfs/dbraw/zinc/41/61/21/570416121.db2.gz CZDQUTCVNBIKHR-LLVKDONJSA-N 0 0 377.901 4.978 50 0 GJAARN COc1ccccc1[C@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025581854 570416465 /nfs/dbraw/zinc/41/64/65/570416465.db2.gz HXFKBUGOAVGLTR-HYBUGGRVSA-N 0 0 386.451 4.946 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1c(F)cccc1F ZINC000005099401 570416548 /nfs/dbraw/zinc/41/65/48/570416548.db2.gz FEEGWWVYLOBFQN-UHFFFAOYSA-N 0 0 398.434 4.872 50 0 GJAARN O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1c1cccc(Cl)c1Cl ZINC000100398766 570416894 /nfs/dbraw/zinc/41/68/94/570416894.db2.gz DVPWXWZTTGQGTF-XYOKQWHBSA-N 0 0 383.687 4.909 50 0 GJAARN CC(C)(C)C(=O)Oc1c(Br)cc(Br)c2cccnc21 ZINC000035686522 570418151 /nfs/dbraw/zinc/41/81/51/570418151.db2.gz KIDGCYHIZKLRDD-UHFFFAOYSA-N 0 0 387.071 4.711 50 0 GJAARN COc1ccc(CCC(=O)Nc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000025740097 570418861 /nfs/dbraw/zinc/41/88/61/570418861.db2.gz DLOZBNRCNBGENW-UHFFFAOYSA-N 0 0 377.469 4.643 50 0 GJAARN CCCc1nnc(SCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)o1 ZINC000122195112 570419812 /nfs/dbraw/zinc/41/98/12/570419812.db2.gz PZBMZRBJMLARSJ-UHFFFAOYSA-N 0 0 388.518 4.764 50 0 GJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000004973292 570420361 /nfs/dbraw/zinc/42/03/61/570420361.db2.gz ATYWEHXZCGJYNS-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1NC(C)=O ZINC000026062460 570422061 /nfs/dbraw/zinc/42/20/61/570422061.db2.gz FVKHLRKZZHEBJK-UHFFFAOYSA-N 0 0 392.480 4.733 50 0 GJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)c(C)c1 ZINC000004998483 570422784 /nfs/dbraw/zinc/42/27/84/570422784.db2.gz YDXHVTKIHGCSAT-UHFFFAOYSA-N 0 0 387.936 4.684 50 0 GJAARN C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1 ZINC000013049383 570422845 /nfs/dbraw/zinc/42/28/45/570422845.db2.gz GSFQVWHJQJKHJT-AWEZNQCLSA-N 0 0 397.862 4.746 50 0 GJAARN CCOc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 ZINC000005137116 570423899 /nfs/dbraw/zinc/42/38/99/570423899.db2.gz JXHKBBNEEOEEJP-UHFFFAOYSA-N 0 0 384.476 4.629 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000005015852 570423978 /nfs/dbraw/zinc/42/39/78/570423978.db2.gz STKRLIYCYZQEHM-UHFFFAOYSA-N 0 0 398.846 4.981 50 0 GJAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000005016486 570424178 /nfs/dbraw/zinc/42/41/78/570424178.db2.gz WHFYBBZNXYPTBL-SNVBAGLBSA-N 0 0 375.544 4.751 50 0 GJAARN CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1 ZINC000005047044 570425964 /nfs/dbraw/zinc/42/59/64/570425964.db2.gz VXIYSDJGXPDMGZ-UHFFFAOYSA-N 0 0 386.407 4.506 50 0 GJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c1C ZINC000005054051 570426772 /nfs/dbraw/zinc/42/67/72/570426772.db2.gz MIZCPRKIOUIVDP-OXQOHEQNSA-N 0 0 396.531 4.644 50 0 GJAARN CCN(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc2ccccc2s1 ZINC000026908990 570429840 /nfs/dbraw/zinc/42/98/40/570429840.db2.gz ZUDMAVUFEGVGJM-KRWDZBQOSA-N 0 0 382.485 4.521 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000027248702 570432720 /nfs/dbraw/zinc/43/27/20/570432720.db2.gz WCGQGXBPNKVXTJ-HSZRJFAPSA-N 0 0 382.463 4.841 50 0 GJAARN CCc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000011835107 570436812 /nfs/dbraw/zinc/43/68/12/570436812.db2.gz GUUNZMZXRRBEIU-UHFFFAOYSA-N 0 0 397.475 4.668 50 0 GJAARN CC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 ZINC000005383502 570436888 /nfs/dbraw/zinc/43/68/88/570436888.db2.gz RFGBBCRANYUGTP-UHFFFAOYSA-N 0 0 382.507 4.783 50 0 GJAARN Clc1ccc(-c2nn3c(nnc3-c3cc(-c4ccccc4)n[nH]3)s2)cc1 ZINC000005455953 570440305 /nfs/dbraw/zinc/44/03/05/570440305.db2.gz USMFVXIJLZJHNT-UHFFFAOYSA-N 0 0 378.848 4.563 50 0 GJAARN CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@@](C)(C3SCCS3)C[C@@H]12 ZINC000252427793 570442370 /nfs/dbraw/zinc/44/23/70/570442370.db2.gz GEFRKHXTFACOQE-FIFVOOHXSA-N 0 0 398.634 4.718 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@H]1c1cccs1 ZINC000248125015 570442325 /nfs/dbraw/zinc/44/23/25/570442325.db2.gz OJMORDKMELMKPD-ZBFHGGJFSA-N 0 0 385.558 4.714 50 0 GJAARN CCCSc1ncc(Br)c(C(=O)Nc2ccc(C)cc2C)n1 ZINC000027795436 570443481 /nfs/dbraw/zinc/44/34/81/570443481.db2.gz AASNUQHXWGHYOM-UHFFFAOYSA-N 0 0 380.311 4.610 50 0 GJAARN CCCc1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 ZINC000027814589 570443811 /nfs/dbraw/zinc/44/38/11/570443811.db2.gz JTOGUDZPMYEMJR-GFCCVEGCSA-N 0 0 398.513 4.636 50 0 GJAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccccc2F)n1C1CC1 ZINC000064370085 570444721 /nfs/dbraw/zinc/44/47/21/570444721.db2.gz WXKFZBTVGRMCKV-UHFFFAOYSA-N 0 0 397.504 4.903 50 0 GJAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(F)cc5s4)no3)ccc2O1 ZINC000027992282 570448681 /nfs/dbraw/zinc/44/86/81/570448681.db2.gz IKEWENRILVUDGV-SNVBAGLBSA-N 0 0 395.415 4.666 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCc4sccc4C3)n2)cc1 ZINC000028174384 570451583 /nfs/dbraw/zinc/45/15/83/570451583.db2.gz NNMWFDCRADZXRT-CQSZACIVSA-N 0 0 383.542 4.565 50 0 GJAARN CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1 ZINC000028186829 570451934 /nfs/dbraw/zinc/45/19/34/570451934.db2.gz NXWYXIKVKXYDPE-UHFFFAOYSA-N 0 0 397.891 4.961 50 0 GJAARN CC1(C)C[C@H](C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CCO1 ZINC000000627731 570452348 /nfs/dbraw/zinc/45/23/48/570452348.db2.gz KCFPWFWFSQXBOD-QGZVFWFLSA-N 0 0 392.451 4.613 50 0 biogenic GJAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000028250944 570453369 /nfs/dbraw/zinc/45/33/69/570453369.db2.gz QHCMTRADQCKWCT-GOSISDBHSA-N 0 0 385.410 4.841 50 0 GJAARN C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1nc2ccccc2s1 ZINC000012000711 570453337 /nfs/dbraw/zinc/45/33/37/570453337.db2.gz XVOYZXHIMSPCHW-ZDUSSCGKSA-N 0 0 392.509 4.873 50 0 GJAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Br)cc4)no3)ccc2O1 ZINC000028286932 570454189 /nfs/dbraw/zinc/45/41/89/570454189.db2.gz YWJDVQWYLASFEW-LLVKDONJSA-N 0 0 399.244 4.680 50 0 GJAARN Cc1nc2ccccn2c1-c1nnc2sc(-c3oc4ccccc4c3C)nn21 ZINC000227143778 570462382 /nfs/dbraw/zinc/46/23/82/570462382.db2.gz STYZRCYNEHMATM-UHFFFAOYSA-N 0 0 386.440 4.531 50 0 GJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000028897263 570465675 /nfs/dbraw/zinc/46/56/75/570465675.db2.gz TXJVDHPVJBJIQK-UHFFFAOYSA-N 0 0 380.319 4.594 50 0 GJAARN CC(C)(C)NC(=O)Nc1c(N)n(-c2ccccc2Cl)nc1-c1ccccc1 ZINC000035868091 570466628 /nfs/dbraw/zinc/46/66/28/570466628.db2.gz DEZSBMQUFWXBSN-UHFFFAOYSA-N 0 0 383.883 4.695 50 0 GJAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1C ZINC000064471701 570467041 /nfs/dbraw/zinc/46/70/41/570467041.db2.gz HVCSSGRGXUZFOM-UHFFFAOYSA-N 0 0 395.503 4.923 50 0 GJAARN O=C(/C=C/c1ccc2ccc(Cl)cc2n1)Nc1ccc2c(c1)OCCCO2 ZINC000029008072 570467420 /nfs/dbraw/zinc/46/74/20/570467420.db2.gz YMRUZFPVYSNMEZ-VQHVLOKHSA-N 0 0 380.831 4.701 50 0 GJAARN COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(F)cc3)c2c1 ZINC000064474024 570467530 /nfs/dbraw/zinc/46/75/30/570467530.db2.gz KWSFEDUNNLUNOP-UHFFFAOYSA-N 0 0 393.462 4.998 50 0 GJAARN CCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1 ZINC000029077103 570468116 /nfs/dbraw/zinc/46/81/16/570468116.db2.gz FLLBQYMTWIBCOE-UHFFFAOYSA-N 0 0 386.451 4.827 50 0 GJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 ZINC000029352728 570472215 /nfs/dbraw/zinc/47/22/15/570472215.db2.gz YFYMLSYBUCVTNK-UHFFFAOYSA-N 0 0 384.461 4.738 50 0 GJAARN O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccc(-c2ccccc2)cc1 ZINC000029538016 570475711 /nfs/dbraw/zinc/47/57/11/570475711.db2.gz UJQPTHJZHWELHR-HSZRJFAPSA-N 0 0 390.458 4.505 50 0 GJAARN Cc1ccc(C(=O)Nc2nc(COc3ccc(Cl)cc3Cl)cs2)cn1 ZINC000029576124 570476188 /nfs/dbraw/zinc/47/61/88/570476188.db2.gz PXQKTYNQVITAJN-UHFFFAOYSA-N 0 0 394.283 4.985 50 0 GJAARN COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1 ZINC000029690722 570477967 /nfs/dbraw/zinc/47/79/67/570477967.db2.gz ALGXROILCFENKK-UHFFFAOYSA-N 0 0 388.389 4.843 50 0 GJAARN CCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3NC(C)=O)cs2)cc1 ZINC000011057743 570478885 /nfs/dbraw/zinc/47/88/85/570478885.db2.gz YCLUJTANSPCMNE-UHFFFAOYSA-N 0 0 383.448 4.722 50 0 GJAARN Cc1ccccc1CN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000006401617 570479000 /nfs/dbraw/zinc/47/90/00/570479000.db2.gz VVAJQHRGUFRIHV-UHFFFAOYSA-N 0 0 394.540 4.696 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000006565739 570479244 /nfs/dbraw/zinc/47/92/44/570479244.db2.gz PQRHJEDHFPOLDC-FQEVSTJZSA-N 0 0 375.859 4.930 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccc(C)c2)n1C ZINC000006582939 570485235 /nfs/dbraw/zinc/48/52/35/570485235.db2.gz WPOZJWOGBJWDRV-UHFFFAOYSA-N 0 0 376.485 4.555 50 0 GJAARN NC(=O)N[C@@H](CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000006582770 570485294 /nfs/dbraw/zinc/48/52/94/570485294.db2.gz RJYOOXQOBZSYJJ-FQEVSTJZSA-N 0 0 393.874 4.745 50 0 GJAARN O=C1COc2ccc(-c3csc(Nc4ccccc4C(F)(F)F)n3)cc2N1 ZINC000006583891 570485319 /nfs/dbraw/zinc/48/53/19/570485319.db2.gz WZSRXTALXQMERA-UHFFFAOYSA-N 0 0 391.374 4.903 50 0 GJAARN CCCn1c(Cc2ccccc2)nnc1SCC(=O)c1c[nH]c2ccccc12 ZINC000006590641 570487793 /nfs/dbraw/zinc/48/77/93/570487793.db2.gz XQBKVVWDFJUJNB-UHFFFAOYSA-N 0 0 390.512 4.735 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000064581001 570488309 /nfs/dbraw/zinc/48/83/09/570488309.db2.gz KQRDVSGUBCZASA-UHFFFAOYSA-N 0 0 376.243 4.748 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)COc3ccc(Cl)c4cccnc34)c2C)no1 ZINC000006590737 570488398 /nfs/dbraw/zinc/48/83/98/570488398.db2.gz JTQSAXZWLSOVGD-UHFFFAOYSA-N 0 0 395.846 4.854 50 0 GJAARN Cc1sc2[nH]c([C@@H](C)Nc3ccc(N4CCCC4)c(C)c3)nc(=O)c2c1C ZINC000030448705 570489551 /nfs/dbraw/zinc/48/95/51/570489551.db2.gz ZKYRLMXLAJPNJE-CQSZACIVSA-N 0 0 382.533 4.683 50 0 GJAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(CC1CC1)C(=O)C1CCC1 ZINC000035972315 570490549 /nfs/dbraw/zinc/49/05/49/570490549.db2.gz KGIFYDHKSWVBOF-UHFFFAOYSA-N 0 0 394.563 4.600 50 0 GJAARN Cn1nc(-c2ccccc2)c(CN(C(=O)C2CC2)C2CC2)c1Oc1ccccc1 ZINC000035977846 570490999 /nfs/dbraw/zinc/49/09/99/570490999.db2.gz XWXCSLWLPJMPKT-UHFFFAOYSA-N 0 0 387.483 4.780 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(CSC(F)F)o2)c(OC)c1 ZINC000030625580 570492499 /nfs/dbraw/zinc/49/24/99/570492499.db2.gz FBBAUDOVHFAUPU-OAHLLOKOSA-N 0 0 397.443 4.730 50 0 GJAARN O=C(Nc1ccc2ccccc2c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000850622 570494494 /nfs/dbraw/zinc/49/44/94/570494494.db2.gz AGGPIDMAZDBJQJ-UHFFFAOYSA-N 0 0 392.414 4.893 50 0 GJAARN CCCCCCC(=O)Nc1nnc(SCc2cc(OC)cc(OC)c2)s1 ZINC000006838883 570496737 /nfs/dbraw/zinc/49/67/37/570496737.db2.gz ZHWNUJICLABRAM-UHFFFAOYSA-N 0 0 395.550 4.757 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c(Cl)c2)sc2c1CCCC2 ZINC000005192073 570499271 /nfs/dbraw/zinc/49/92/71/570499271.db2.gz VTBDRIJDOOXUHZ-UHFFFAOYSA-N 0 0 393.892 4.718 50 0 GJAARN Cc1ccc2nc(CSc3nnc(COc4ccccc4Cl)o3)cn2c1 ZINC000006608489 570500072 /nfs/dbraw/zinc/50/00/72/570500072.db2.gz NXEATZDIUDOSQU-UHFFFAOYSA-N 0 0 386.864 4.550 50 0 GJAARN Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(C(C)C)cc2)no1 ZINC000030958768 570502323 /nfs/dbraw/zinc/50/23/23/570502323.db2.gz UFBZXQVUXKKFNC-QFIPXVFZSA-N 0 0 377.488 4.918 50 0 GJAARN COc1ccc(CCNC(=O)C2[C@H]3CC/C=C/CC/C=C\CC[C@H]23)cc1OC ZINC000584904342 570504619 /nfs/dbraw/zinc/50/46/19/570504619.db2.gz HIORFBZGFBAVJO-DWUKBWRKSA-N 0 0 383.532 4.691 50 0 GJAARN Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000002703975 570505860 /nfs/dbraw/zinc/50/58/60/570505860.db2.gz JJRWWMPRHZWUAG-QFIPXVFZSA-N 0 0 397.430 4.552 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC000002708298 570506718 /nfs/dbraw/zinc/50/67/18/570506718.db2.gz AVYDWZZNXBRMEG-FYWRMAATSA-N 0 0 387.435 4.587 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc21 ZINC000002722809 570508708 /nfs/dbraw/zinc/50/87/08/570508708.db2.gz 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/nfs/dbraw/zinc/69/85/22/570698522.db2.gz CWJTXGJOEBEOJZ-UHFFFAOYSA-N 0 0 383.883 4.571 50 0 GJAARN Cc1ccc(CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)cc1 ZINC000004358768 570698597 /nfs/dbraw/zinc/69/85/97/570698597.db2.gz JCSGNWKHOKHRBF-UHFFFAOYSA-N 0 0 380.538 4.541 50 0 GJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)c(F)c1 ZINC000065114705 570700034 /nfs/dbraw/zinc/70/00/34/570700034.db2.gz ADNUBANOGLSSDF-UHFFFAOYSA-N 0 0 386.858 4.956 50 0 GJAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCCOC(C)C)cc12 ZINC000006913181 570700384 /nfs/dbraw/zinc/70/03/84/570700384.db2.gz XOTQXXKUASRTKL-UHFFFAOYSA-N 0 0 378.516 4.851 50 0 GJAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCc2cccs2)C1 ZINC000012708780 570701555 /nfs/dbraw/zinc/70/15/55/570701555.db2.gz NBEZQIXPUSUFDF-IBGZPJMESA-N 0 0 379.529 4.696 50 0 GJAARN O=C(c1ccoc1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000012708690 570701722 /nfs/dbraw/zinc/70/17/22/570701722.db2.gz JNOVRGLEURDBFP-UHFFFAOYSA-N 0 0 384.435 4.646 50 0 GJAARN O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1c(F)cccc1Cl ZINC000012711636 570702588 /nfs/dbraw/zinc/70/25/88/570702588.db2.gz KRKPCQYZSGVBEH-MRXNPFEDSA-N 0 0 387.817 4.611 50 0 GJAARN Cc1cc(C)c(C2=NN(c3ccccc3F)[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000004625714 570702766 /nfs/dbraw/zinc/70/27/66/570702766.db2.gz RPQKBTARLIRQDD-HXUWFJFHSA-N 0 0 379.410 4.626 50 0 GJAARN COc1cc(Br)c(CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000017337154 570704347 /nfs/dbraw/zinc/70/43/47/570704347.db2.gz COVXOTMBKUTIHC-UHFFFAOYSA-N 0 0 398.684 4.609 50 0 GJAARN Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCC3 ZINC000017360275 570704957 /nfs/dbraw/zinc/70/49/57/570704957.db2.gz NPSHXDKPAMHITL-UHFFFAOYSA-N 0 0 375.453 4.880 50 0 GJAARN Cc1cccc(-c2noc(-c3ccc(=O)n(Cc4ccc(Cl)cc4)c3)n2)c1 ZINC000065134444 570707339 /nfs/dbraw/zinc/70/73/39/570707339.db2.gz TZOOYLGEYKLORV-UHFFFAOYSA-N 0 0 377.831 4.575 50 0 GJAARN CCCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)c2cccnc12 ZINC000032623482 570707507 /nfs/dbraw/zinc/70/75/07/570707507.db2.gz 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ZINC000065135792 570709553 /nfs/dbraw/zinc/70/95/53/570709553.db2.gz XXNIDGUEKZGNME-GOSISDBHSA-N 0 0 375.447 4.611 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135736 570709601 /nfs/dbraw/zinc/70/96/01/570709601.db2.gz OADFTCULNZPQJK-MRXNPFEDSA-N 0 0 397.400 4.581 50 0 GJAARN Cn1cc2c3c1cccc3CN(C(=O)Nc1cccc(Br)c1)CC2 ZINC000065148862 570710663 /nfs/dbraw/zinc/71/06/63/570710663.db2.gz GOWWNBDCLSBBGW-UHFFFAOYSA-N 0 0 384.277 4.531 50 0 GJAARN CCn1c(=S)n(CN2CCCC[C@H]2Cc2ccccc2)nc1-c1ccco1 ZINC000058158696 570711766 /nfs/dbraw/zinc/71/17/66/570711766.db2.gz PJTWPTOOHHJOOF-SFHVURJKSA-N 0 0 382.533 4.749 50 0 GJAARN COc1ccc(/C=C/C(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cc1 ZINC000219332035 570712428 /nfs/dbraw/zinc/71/24/28/570712428.db2.gz PKZDQZRBLDFOBH-ZTJJKMQJSA-N 0 0 389.467 4.693 50 0 GJAARN COc1ccc(/C=C/C(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 ZINC000219331965 570712550 /nfs/dbraw/zinc/71/25/50/570712550.db2.gz PKZDQZRBLDFOBH-CWFIWJMMSA-N 0 0 389.467 4.693 50 0 GJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H](C)C(C)(C)C ZINC000058167282 570714314 /nfs/dbraw/zinc/71/43/14/570714314.db2.gz ZTLWWYNKFRPBOG-GFCCVEGCSA-N 0 0 376.419 4.629 50 0 GJAARN COc1cc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc(OC)c1 ZINC000006941870 570714972 /nfs/dbraw/zinc/71/49/72/570714972.db2.gz XJQJPQQLWSITEE-UHFFFAOYSA-N 0 0 382.485 4.625 50 0 GJAARN O=C(COCc1ccccc1Cl)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000058175248 570715843 /nfs/dbraw/zinc/71/58/43/570715843.db2.gz CHSFEAUNWOIEEB-UHFFFAOYSA-N 0 0 379.843 4.726 50 0 GJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000006944068 570715906 /nfs/dbraw/zinc/71/59/06/570715906.db2.gz IQUYXMVMPXVALA-GFCCVEGCSA-N 0 0 384.501 4.678 50 0 GJAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012799388 570716945 /nfs/dbraw/zinc/71/69/45/570716945.db2.gz DVTBDJQBHGOLLR-HXUWFJFHSA-N 0 0 388.492 4.563 50 0 GJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(C)ccc2C)c1C ZINC000006946816 570717755 /nfs/dbraw/zinc/71/77/55/570717755.db2.gz KACKLKMJCVCMBV-UHFFFAOYSA-N 0 0 376.456 4.518 50 0 GJAARN O=C(Nc1ccc(Br)cc1F)c1c(F)c(F)c(F)c(F)c1F ZINC000002114759 570718637 /nfs/dbraw/zinc/71/86/37/570718637.db2.gz XZOFMZQACXZHCA-UHFFFAOYSA-N 0 0 384.073 4.536 50 0 GJAARN Cc1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000065184790 570723045 /nfs/dbraw/zinc/72/30/45/570723045.db2.gz GPSOLUQJVSSFSY-UHFFFAOYSA-N 0 0 381.457 4.527 50 0 GJAARN COc1cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)cc(OC)c1 ZINC000065184728 570723183 /nfs/dbraw/zinc/72/31/83/570723183.db2.gz DRHCDKQLICKLEX-UHFFFAOYSA-N 0 0 387.436 4.604 50 0 GJAARN CN(Cc1ccco1)C(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1 ZINC000065178276 570723925 /nfs/dbraw/zinc/72/39/25/570723925.db2.gz FRKDZDZCRPHAEK-UHFFFAOYSA-N 0 0 389.499 4.994 50 0 GJAARN CCSc1ccc(-c2cccc(NC(=O)COc3cccc(C)c3)c2)nn1 ZINC000065185929 570724376 /nfs/dbraw/zinc/72/43/76/570724376.db2.gz KAQNCTIWQQCVRH-UHFFFAOYSA-N 0 0 379.485 4.582 50 0 GJAARN Cc1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c(C)c1 ZINC000000911076 570725161 /nfs/dbraw/zinc/72/51/61/570725161.db2.gz IPKDIPVXHDLAEQ-AWEZNQCLSA-N 0 0 377.724 4.903 50 0 GJAARN Cc1cccc(NC(=O)CN(CCc2ccccn2)Cc2ccc(F)cc2)c1C ZINC000058305769 570725541 /nfs/dbraw/zinc/72/55/41/570725541.db2.gz HOPHGARAKINPIM-UHFFFAOYSA-N 0 0 391.490 4.521 50 0 GJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1cccc(F)c1 ZINC000065194839 570726255 /nfs/dbraw/zinc/72/62/55/570726255.db2.gz MHBPJEMQELLHFX-UHFFFAOYSA-N 0 0 396.447 4.661 50 0 GJAARN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nc12 ZINC000000936139 570726945 /nfs/dbraw/zinc/72/69/45/570726945.db2.gz SISHHKVDSNJUQJ-UHFFFAOYSA-N 0 0 397.887 4.764 50 0 GJAARN Cc1ccc(COc2c(Br)cc(CO)cc2Br)cc1 ZINC000004364819 570727220 /nfs/dbraw/zinc/72/72/20/570727220.db2.gz VYPQISFNRXWFPW-UHFFFAOYSA-N 0 0 386.083 4.591 50 0 GJAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000058365582 570728848 /nfs/dbraw/zinc/72/88/48/570728848.db2.gz XPZBOPMYGCOLJT-UHFFFAOYSA-N 0 0 392.893 4.576 50 0 GJAARN O=C(NC1CC1)[C@H](Oc1ccc(Br)cc1Cl)c1ccccc1 ZINC000006988851 570729878 /nfs/dbraw/zinc/72/98/78/570729878.db2.gz WGNDPNBLCKEONR-MRXNPFEDSA-N 0 0 380.669 4.501 50 0 GJAARN O=C(Cc1noc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000012940221 570730788 /nfs/dbraw/zinc/73/07/88/570730788.db2.gz YTCUSQQICGJNRR-HXUWFJFHSA-N 0 0 380.494 4.668 50 0 GJAARN CC(=O)c1cccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000942219 570732017 /nfs/dbraw/zinc/73/20/17/570732017.db2.gz BPSAXSBMLXNGDN-UHFFFAOYSA-N 0 0 397.525 4.504 50 0 GJAARN CC(=O)c1ccc(OCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000012976527 570735007 /nfs/dbraw/zinc/73/50/07/570735007.db2.gz UZQOWYHKVKICEA-QFIPXVFZSA-N 0 0 379.481 4.544 50 0 GJAARN CCc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(F)c2)c1 ZINC000007003584 570735246 /nfs/dbraw/zinc/73/52/46/570735246.db2.gz LMNYONLQTNGKKK-UHFFFAOYSA-N 0 0 388.446 4.991 50 0 GJAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1Cl ZINC000012980517 570735827 /nfs/dbraw/zinc/73/58/27/570735827.db2.gz HWUFDTPENXOKOM-OAQYLSRUSA-N 0 0 382.916 4.988 50 0 GJAARN O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000949892 570736208 /nfs/dbraw/zinc/73/62/08/570736208.db2.gz DASXOQLDRUORPP-UHFFFAOYSA-N 0 0 375.856 4.577 50 0 GJAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(O)cc1 ZINC000000955741 570737953 /nfs/dbraw/zinc/73/79/53/570737953.db2.gz AGFGSSCWBKHSCI-UHFFFAOYSA-N 0 0 376.334 4.880 50 0 GJAARN O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006120404 570738519 /nfs/dbraw/zinc/73/85/19/570738519.db2.gz PYUPRBNZEDEWFZ-BQYQJAHWSA-N 0 0 375.468 4.577 50 0 GJAARN Cc1ccc(NC(=O)Cc2noc(-c3ccc(Cl)cc3Cl)n2)cc1C ZINC000016579350 570738956 /nfs/dbraw/zinc/73/89/56/570738956.db2.gz FYZHTCMIXXCZIR-UHFFFAOYSA-N 0 0 376.243 4.841 50 0 GJAARN CCC[C@@H](NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)c1cccs1 ZINC000007007312 570739331 /nfs/dbraw/zinc/73/93/31/570739331.db2.gz VDSHKKZPIVGSLH-MRXNPFEDSA-N 0 0 390.530 4.840 50 0 GJAARN Cc1ccc(OCC(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000000959648 570739674 /nfs/dbraw/zinc/73/96/74/570739674.db2.gz WXDYEUMYPQJUFZ-UHFFFAOYSA-N 0 0 383.488 4.803 50 0 GJAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccccc1Cl ZINC000007007693 570739922 /nfs/dbraw/zinc/73/99/22/570739922.db2.gz GOGDMNNVIYVCMC-UHFFFAOYSA-N 0 0 392.282 4.987 50 0 GJAARN CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccccc3F)c21 ZINC000006285511 570740863 /nfs/dbraw/zinc/74/08/63/570740863.db2.gz MOXMRSWOIUZOHY-UHFFFAOYSA-N 0 0 392.352 4.727 50 0 GJAARN C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 ZINC000013010769 570741972 /nfs/dbraw/zinc/74/19/72/570741972.db2.gz ILBNUEXGSVDXTM-LBPRGKRZSA-N 0 0 389.423 4.712 50 0 GJAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1csc(-c2ccccc2)n1 ZINC000585148302 570742426 /nfs/dbraw/zinc/74/24/26/570742426.db2.gz XOUGAAGFUBTQCI-LJQANCHMSA-N 0 0 390.464 4.534 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000000997966 570744264 /nfs/dbraw/zinc/74/42/64/570744264.db2.gz 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/nfs/dbraw/zinc/74/91/18/570749118.db2.gz FPIHRSAIIGCAGO-UHFFFAOYSA-N 0 0 380.513 4.634 50 0 GJAARN CCCCc1nc2ccccc2n1Cc1nnc2n1-c1ccccc1SC2 ZINC000013152695 570749333 /nfs/dbraw/zinc/74/93/33/570749333.db2.gz HBLQWXLFRRAJPQ-UHFFFAOYSA-N 0 0 375.501 4.614 50 0 GJAARN CCc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1 ZINC000033064121 570749448 /nfs/dbraw/zinc/74/94/48/570749448.db2.gz CAMSEJCDKOVLSS-UHFFFAOYSA-N 0 0 380.513 4.579 50 0 GJAARN CCn1cc(-c2cc(C(=O)N3[C@H](C)CCC[C@@H]3C)c3cccc(C)c3n2)cn1 ZINC000063833449 570750839 /nfs/dbraw/zinc/75/08/39/570750839.db2.gz XMYJFZDXLHDYDS-CALCHBBNSA-N 0 0 376.504 4.830 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)cc1Cl ZINC000036616367 570752442 /nfs/dbraw/zinc/75/24/42/570752442.db2.gz WCAJLAQBWXCUDJ-UHFFFAOYSA-N 0 0 392.846 4.550 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3cc(F)ccc3F)c12 ZINC000036616670 570753362 /nfs/dbraw/zinc/75/33/62/570753362.db2.gz ANMHIQDJHOYFIX-UHFFFAOYSA-N 0 0 396.372 4.707 50 0 GJAARN O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000206880749 570754669 /nfs/dbraw/zinc/75/46/69/570754669.db2.gz JXMLAKMDONMYNL-LJQANCHMSA-N 0 0 379.891 4.936 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)c1 ZINC000064526614 570755062 /nfs/dbraw/zinc/75/50/62/570755062.db2.gz XPAXCEZUKUUDBS-UHFFFAOYSA-N 0 0 390.527 4.975 50 0 GJAARN CCOC(=O)/C(=C\OCCOc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013471143 570755710 /nfs/dbraw/zinc/75/57/10/570755710.db2.gz ZDBHWPVWGKCDKO-SSZFMOIBSA-N 0 0 381.255 4.993 50 0 GJAARN COc1cccc(COC(=O)/C=C\c2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000096536784 570756630 /nfs/dbraw/zinc/75/66/30/570756630.db2.gz CMTCXYSNFYKWGC-SEYXRHQNSA-N 0 0 390.483 4.622 50 0 GJAARN Cc1ccccc1-c1noc(-c2nn(-c3ccccc3C)c(=O)c3ccccc32)n1 ZINC000064950174 570757178 /nfs/dbraw/zinc/75/71/78/570757178.db2.gz VNXFVPSHVKQCRP-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN Cc1ccc(Oc2ccc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)cc2)cc1 ZINC000065005147 570757888 /nfs/dbraw/zinc/75/78/88/570757888.db2.gz VBOQKKJOHJDPLO-OAHLLOKOSA-N 0 0 389.411 4.921 50 0 GJAARN Cc1nn2c(ncc(C(=O)Nc3cc(F)ccc3F)c2C)c1-c1ccccc1 ZINC000021914860 570758672 /nfs/dbraw/zinc/75/86/72/570758672.db2.gz MQONLBPRQJBXFJ-UHFFFAOYSA-N 0 0 378.382 4.544 50 0 GJAARN COc1cccc(OC)c1-c1c(-c2ccccc2)ncn1[C@H]1CCCC[C@@H]1O ZINC000065387248 570764044 /nfs/dbraw/zinc/76/40/44/570764044.db2.gz MCIXAGJEKZDWHY-ROUUACIJSA-N 0 0 378.472 4.710 50 0 GJAARN CCCCNc1nnc(SCc2cc(=O)oc3cc4c(cc23)CCC4)s1 ZINC000007058491 570775336 /nfs/dbraw/zinc/77/53/36/570775336.db2.gz HBMPARKTCDBLJM-UHFFFAOYSA-N 0 0 387.530 4.638 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013691128 570776047 /nfs/dbraw/zinc/77/60/47/570776047.db2.gz NMYQNZJCFHVYAZ-UHFFFAOYSA-N 0 0 397.931 4.734 50 0 GJAARN Cc1nc(Nc2ccc(F)cn2)sc1C(=O)NCc1ccc(C(C)C)cc1 ZINC000065306199 570789966 /nfs/dbraw/zinc/78/99/66/570789966.db2.gz LBGDZGUQEFMVAT-UHFFFAOYSA-N 0 0 384.480 4.783 50 0 GJAARN C[C@H](NC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1)c1ccccc1 ZINC000065306704 570790285 /nfs/dbraw/zinc/79/02/85/570790285.db2.gz ACLUGDAIKLBNMO-HNNXBMFYSA-N 0 0 390.512 4.644 50 0 GJAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1 ZINC000007112452 570792311 /nfs/dbraw/zinc/79/23/11/570792311.db2.gz CRTAKWNTQKAYSC-KRWDZBQOSA-N 0 0 385.464 4.578 50 0 GJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1noc2ccccc21 ZINC000032747582 570793390 /nfs/dbraw/zinc/79/33/90/570793390.db2.gz QWEQMLXWDDSRIX-UHFFFAOYSA-N 0 0 380.831 4.942 50 0 GJAARN Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1N1CCCC1=O ZINC000010956804 570793489 /nfs/dbraw/zinc/79/34/89/570793489.db2.gz INRVWRAJBQPJPH-UHFFFAOYSA-N 0 0 398.462 4.998 50 0 GJAARN C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(F)c1 ZINC000032753111 570794220 /nfs/dbraw/zinc/79/42/20/570794220.db2.gz ACCABHSMSZTRDV-HNNXBMFYSA-N 0 0 392.434 4.909 50 0 GJAARN O=c1[nH]c2cc(Cc3ccccc3)ccc2n1-c1ccc(Br)cc1 ZINC000063120213 570795527 /nfs/dbraw/zinc/79/55/27/570795527.db2.gz HKUZPPOUNQSZKH-UHFFFAOYSA-N 0 0 379.257 4.672 50 0 GJAARN CN(C(=S)NC1CCCCC1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000013865492 570796036 /nfs/dbraw/zinc/79/60/36/570796036.db2.gz CBXZCXFSSRYOGA-FQEVSTJZSA-N 0 0 378.969 4.817 50 0 GJAARN COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(NC(C)=O)c3C)ccc2c1 ZINC000032753718 570796504 /nfs/dbraw/zinc/79/65/04/570796504.db2.gz GGZOJYMJFXBJMU-CQSZACIVSA-N 0 0 376.456 4.857 50 0 GJAARN Cc1cc2nc(C)c(CCC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c(C)n2n1 ZINC000032753947 570796895 /nfs/dbraw/zinc/79/68/95/570796895.db2.gz FPHFRDMKIPDBMC-KRWDZBQOSA-N 0 0 390.487 4.553 50 0 GJAARN O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000032754939 570797636 /nfs/dbraw/zinc/79/76/36/570797636.db2.gz HYJNJTWRGXRGCS-UHFFFAOYSA-N 0 0 383.448 4.504 50 0 GJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3C)no2)cc1 ZINC000065320610 570798141 /nfs/dbraw/zinc/79/81/41/570798141.db2.gz QKMGYYONJFMALD-IBGZPJMESA-N 0 0 392.459 4.813 50 0 GJAARN COC(=O)c1ccc([C@@H]2C3=C(N=C4N=NNN42)[C@@H](C2CCCCC2)CCC3)cc1 ZINC000005867962 570799444 /nfs/dbraw/zinc/79/94/44/570799444.db2.gz UNSZUPWZLXBDQR-YLJYHZDGSA-N 0 0 393.491 4.706 50 0 GJAARN Cc1cc(C)cc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cnccn32)c1 ZINC000065323308 570800462 /nfs/dbraw/zinc/80/04/62/570800462.db2.gz RXUPIALIRUBWCZ-UHFFFAOYSA-N 0 0 399.498 4.593 50 0 GJAARN CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000005881937 570800971 /nfs/dbraw/zinc/80/09/71/570800971.db2.gz PLQUPJQSZBRKNV-LBPRGKRZSA-N 0 0 398.322 4.772 50 0 GJAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N(C1=CCCCC1)C1CC1 ZINC000022216548 570801391 /nfs/dbraw/zinc/80/13/91/570801391.db2.gz FPDPLSMDEABGRG-UHFFFAOYSA-N 0 0 397.331 4.577 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 ZINC000005915482 570803620 /nfs/dbraw/zinc/80/36/20/570803620.db2.gz GAFVHOJHGWIKJD-UHFFFAOYSA-N 0 0 392.386 4.903 50 0 GJAARN Cc1ccc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3F)o2)c(C)c1 ZINC000007137556 570804423 /nfs/dbraw/zinc/80/44/23/570804423.db2.gz NYWPFOKEFWHSFP-AWEZNQCLSA-N 0 0 386.448 4.941 50 0 GJAARN CCCCOc1ccc(C(=O)NCCn2nc(C)c(-c3ccccc3)c2C)cc1 ZINC000238837373 570805606 /nfs/dbraw/zinc/80/56/06/570805606.db2.gz HASQOQMKKVUNTJ-UHFFFAOYSA-N 0 0 391.515 4.776 50 0 GJAARN COc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000013961184 570808799 /nfs/dbraw/zinc/80/87/99/570808799.db2.gz HMTQLARVMQUOEL-UHFFFAOYSA-N 0 0 398.466 4.867 50 0 GJAARN O=C(NCc1ccccn1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000005687593 570809921 /nfs/dbraw/zinc/80/99/21/570809921.db2.gz ATBPECQWQYGCQV-UHFFFAOYSA-N 0 0 387.266 4.897 50 0 GJAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1OC ZINC000004659642 570810125 /nfs/dbraw/zinc/81/01/25/570810125.db2.gz XSJALYHULVKYEB-DTQAZKPQSA-N 0 0 398.462 4.882 50 0 GJAARN CCOC(=O)c1c(NC(=S)N2C[C@@H](C)C[C@H](C)C2)sc2c1CCCCC2 ZINC000005979977 570811153 /nfs/dbraw/zinc/81/11/53/570811153.db2.gz DJJDELITCURDFD-KBPBESRZSA-N 0 0 394.606 4.868 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000018238965 570811911 /nfs/dbraw/zinc/81/19/11/570811911.db2.gz ISAOYEAASQVJMF-UHFFFAOYSA-N 0 0 391.423 4.901 50 0 GJAARN CCOc1cc2c(cc1NC(=O)COc1c(Cl)cccc1Cl)O[C@@H](C)C2 ZINC000018238428 570811941 /nfs/dbraw/zinc/81/19/41/570811941.db2.gz CKTSCRKRAYOOJA-NSHDSACASA-N 0 0 396.270 4.733 50 0 GJAARN CCOC(=O)c1c2ccc(C)c(OCc3ccccc3)c2sc1NC(C)=O ZINC000033113612 570812364 /nfs/dbraw/zinc/81/23/64/570812364.db2.gz JYBKIRNGDDYJAW-UHFFFAOYSA-N 0 0 383.469 4.924 50 0 GJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(Cl)c2C)c1C ZINC000005995624 570812707 /nfs/dbraw/zinc/81/27/07/570812707.db2.gz KUKKKNJWWOBIPL-UHFFFAOYSA-N 0 0 396.874 4.863 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2ccccc2o1 ZINC000007191790 570813370 /nfs/dbraw/zinc/81/33/70/570813370.db2.gz VWPRGBBZXKWEJO-GFCCVEGCSA-N 0 0 383.498 4.749 50 0 GJAARN CC(=O)N(c1nc(CSc2nncs2)cs1)c1ccc(C)c(C)c1 ZINC000007194169 570813838 /nfs/dbraw/zinc/81/38/38/570813838.db2.gz CIRLJMGZDJJWOC-UHFFFAOYSA-N 0 0 376.532 4.588 50 0 GJAARN O=C(Nc1nnc(C2CC2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005699613 570816625 /nfs/dbraw/zinc/81/66/25/570816625.db2.gz ZTXYKOFSJPDLJM-UHFFFAOYSA-N 0 0 381.301 4.705 50 0 GJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC000032796603 570818644 /nfs/dbraw/zinc/81/86/44/570818644.db2.gz FEAPSBCQSPYLMD-OAHLLOKOSA-N 0 0 397.906 4.984 50 0 GJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)c3ccco3)cc12 ZINC000007244067 570818776 /nfs/dbraw/zinc/81/87/76/570818776.db2.gz SDSVFIRVRDAUDZ-ZDUSSCGKSA-N 0 0 383.448 4.678 50 0 GJAARN CC(C)(C)c1cc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)on1 ZINC000032797365 570819457 /nfs/dbraw/zinc/81/94/57/570819457.db2.gz BNDHMKZRIVWTJG-OAQYLSRUSA-N 0 0 395.528 4.620 50 0 GJAARN O=C(NCc1cccs1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033129622 570819875 /nfs/dbraw/zinc/81/98/75/570819875.db2.gz HGUPWXFZCVDMFQ-UHFFFAOYSA-N 0 0 379.416 4.534 50 0 GJAARN CCCc1cc(=O)[nH]c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n1 ZINC000012475926 570821020 /nfs/dbraw/zinc/82/10/20/570821020.db2.gz GRBAGENCTAKSBH-UHFFFAOYSA-N 0 0 384.501 4.553 50 0 GJAARN COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc1 ZINC000101373608 570821326 /nfs/dbraw/zinc/82/13/26/570821326.db2.gz VMEIEXBBQICDPZ-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 GJAARN CCCCCNC(=O)c1cccc(-c2ccc(Oc3ccc(OC)cc3)nn2)c1 ZINC000033130989 570821534 /nfs/dbraw/zinc/82/15/34/570821534.db2.gz QCZQPCCUUHOSAK-UHFFFAOYSA-N 0 0 391.471 4.865 50 0 biogenic GJAARN CCC(C)(C)NC(=O)c1cccc(-c2ccc(Oc3ccc(OC)cc3)nn2)c1 ZINC000033130990 570821704 /nfs/dbraw/zinc/82/17/04/570821704.db2.gz AQXYTIBJARQOML-UHFFFAOYSA-N 0 0 391.471 4.863 50 0 GJAARN Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c4ccccc34)s2)cc1 ZINC000012497710 570821966 /nfs/dbraw/zinc/82/19/66/570821966.db2.gz WZBRCZALVZDMTR-UHFFFAOYSA-N 0 0 394.525 4.801 50 0 GJAARN COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000007281215 570824246 /nfs/dbraw/zinc/82/42/46/570824246.db2.gz TULAYVJSGVRKQF-JOCHJYFZSA-N 0 0 397.421 4.745 50 0 GJAARN COc1ccc(-c2nc(C[S@](=O)Cc3ccccc3C)cs2)c(OC)c1 ZINC000032801418 570825137 /nfs/dbraw/zinc/82/51/37/570825137.db2.gz CMSZMKUFYNWFSG-SANMLTNESA-N 0 0 387.526 4.585 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000012515414 570825295 /nfs/dbraw/zinc/82/52/95/570825295.db2.gz BWTSSRVGYMCFPG-ZDUSSCGKSA-N 0 0 385.464 4.564 50 0 GJAARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)N1CCCC1 ZINC000012520209 570826563 /nfs/dbraw/zinc/82/65/63/570826563.db2.gz IOYPBKGOWWHHGT-GFCCVEGCSA-N 0 0 385.455 4.568 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000005702139 570827719 /nfs/dbraw/zinc/82/77/19/570827719.db2.gz UFHKCOMXANKEHJ-HNNXBMFYSA-N 0 0 394.496 4.501 50 0 GJAARN COc1ccc2cc(CNc3ccccc3N3CCCC3=O)c(Cl)nc2c1 ZINC000012521729 570828328 /nfs/dbraw/zinc/82/83/28/570828328.db2.gz AWUYYCZTWIWORG-UHFFFAOYSA-N 0 0 381.863 4.636 50 0 GJAARN CCN(CC)c1ccc(-c2nnc(SCc3noc(-c4ccco4)n3)o2)cc1 ZINC000012522332 570828807 /nfs/dbraw/zinc/82/88/07/570828807.db2.gz NQIKPSJWPIEFFP-UHFFFAOYSA-N 0 0 397.460 4.518 50 0 GJAARN Cc1cc(C(=O)N2CCC(Nc3ccccc3C)CC2)c(C)n1Cc1ccco1 ZINC000065529290 570830066 /nfs/dbraw/zinc/83/00/66/570830066.db2.gz VAORWLPTZIBAEA-UHFFFAOYSA-N 0 0 391.515 4.771 50 0 GJAARN Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000065566468 570831943 /nfs/dbraw/zinc/83/19/43/570831943.db2.gz JFXNKSJRHYCBPB-UHFFFAOYSA-N 0 0 392.440 4.855 50 0 GJAARN CCCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCCC ZINC000032810872 570834173 /nfs/dbraw/zinc/83/41/73/570834173.db2.gz CIKFORAJXURXFN-INIZCTEOSA-N 0 0 386.492 4.712 50 0 GJAARN CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000065554399 570834433 /nfs/dbraw/zinc/83/44/33/570834433.db2.gz RKHAASXUZZATKP-UHFFFAOYSA-N 0 0 376.888 4.584 50 0 GJAARN CCc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 ZINC000004518203 570834895 /nfs/dbraw/zinc/83/48/95/570834895.db2.gz OTHYDMCQQGDQOC-UHFFFAOYSA-N 0 0 389.503 4.806 50 0 GJAARN CCOc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2)cc1 ZINC000007372023 570835116 /nfs/dbraw/zinc/83/51/16/570835116.db2.gz NABDEPNDDABQRL-UHFFFAOYSA-N 0 0 392.484 4.922 50 0 GJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014242363 570836430 /nfs/dbraw/zinc/83/64/30/570836430.db2.gz LPPJBDHKUWVKPJ-GOSISDBHSA-N 0 0 393.414 4.834 50 0 GJAARN Cc1ccsc1CN(C)Cn1nc(NCc2ccc(F)cc2)sc1=S ZINC000014242043 570836486 /nfs/dbraw/zinc/83/64/86/570836486.db2.gz ZHYSCGGKRAUPSY-UHFFFAOYSA-N 0 0 394.566 4.885 50 0 GJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3c(C)cccc3C)c2c1 ZINC000033172524 570837168 /nfs/dbraw/zinc/83/71/68/570837168.db2.gz ANHUZUHXDQCSEO-UHFFFAOYSA-N 0 0 376.485 4.767 50 0 GJAARN Cc1cccc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c1C ZINC000033172685 570837347 /nfs/dbraw/zinc/83/73/47/570837347.db2.gz ZOSQUTNFHWBCEA-UHFFFAOYSA-N 0 0 380.448 4.598 50 0 GJAARN Fc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(C(F)(F)F)nn32)cc1F ZINC000101915746 570837574 /nfs/dbraw/zinc/83/75/74/570837574.db2.gz ZSCKRHBAOJTRKI-HNNXBMFYSA-N 0 0 378.304 4.631 50 0 GJAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1Cc1ccc(F)cc1 ZINC000012538660 570837757 /nfs/dbraw/zinc/83/77/57/570837757.db2.gz 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570839860 /nfs/dbraw/zinc/83/98/60/570839860.db2.gz NAICPDNVOPNWTA-UHFFFAOYSA-N 0 0 398.934 4.509 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000032820697 570841590 /nfs/dbraw/zinc/84/15/90/570841590.db2.gz BVJVWSBEZQGSBT-QGZVFWFLSA-N 0 0 380.271 4.988 50 0 GJAARN CCN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)C1=CCCCC1 ZINC000007427842 570842689 /nfs/dbraw/zinc/84/26/89/570842689.db2.gz SUHZTTLFNPLQPI-UHFFFAOYSA-N 0 0 396.560 4.602 50 0 GJAARN CCOc1ccc(C(C)=O)cc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000007432648 570843799 /nfs/dbraw/zinc/84/37/99/570843799.db2.gz JXRILMLMXGOTKC-ZHACJKMWSA-N 0 0 381.453 4.654 50 0 GJAARN COc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000007453493 570844982 /nfs/dbraw/zinc/84/49/82/570844982.db2.gz UKYXOPBWXOPHSC-KRWDZBQOSA-N 0 0 384.520 4.595 50 0 GJAARN COc1ccc([C@H]2CCCCCN2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000037190248 570847170 /nfs/dbraw/zinc/84/71/70/570847170.db2.gz YUOAFHGTTBLIGU-IIBYNOLFSA-N 0 0 377.488 4.610 50 0 GJAARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1OC ZINC000102399477 570847267 /nfs/dbraw/zinc/84/72/67/570847267.db2.gz FNSALUZZXNMXHJ-OAQYLSRUSA-N 0 0 375.428 4.725 50 0 GJAARN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccnc3)C2)cc1 ZINC000102402292 570848386 /nfs/dbraw/zinc/84/83/86/570848386.db2.gz YFDKDMBEMLIUAD-AVRDEDQJSA-N 0 0 385.471 4.862 50 0 GJAARN CSCC[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000012547403 570850211 /nfs/dbraw/zinc/85/02/11/570850211.db2.gz UAVWKVOCQPUGPQ-IBGZPJMESA-N 0 0 392.528 4.518 50 0 GJAARN CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Cc1ccccc1Cl ZINC000007487663 570850837 /nfs/dbraw/zinc/85/08/37/570850837.db2.gz OEALLJRRZIHILY-UHFFFAOYSA-N 0 0 395.915 4.937 50 0 GJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 ZINC000004540015 570851506 /nfs/dbraw/zinc/85/15/06/570851506.db2.gz KYWPVRJDZZFALK-JOCHJYFZSA-N 0 0 387.435 4.792 50 0 GJAARN O=c1nc(CSC[C@@H]2CCCO2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000170595385 570852833 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CC(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)s1 ZINC000012561719 570866249 /nfs/dbraw/zinc/86/62/49/570866249.db2.gz GYLVEYUHRZJSQY-UHFFFAOYSA-N 0 0 379.485 4.742 50 0 GJAARN COc1ccc(C(=O)CCCCCC(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1 ZINC000170608373 570866542 /nfs/dbraw/zinc/86/65/42/570866542.db2.gz XZHQIHHLGNDLDX-UHFFFAOYSA-N 0 0 396.531 4.837 50 0 GJAARN CCc1sc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1C ZINC000060065047 570871004 /nfs/dbraw/zinc/87/10/04/570871004.db2.gz XWQJGHVXHZPFHU-HNNXBMFYSA-N 0 0 394.334 4.595 50 0 GJAARN CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC ZINC000015010873 570871266 /nfs/dbraw/zinc/87/12/66/570871266.db2.gz QFGNKQKGNAOOPZ-BOPFTXTBSA-N 0 0 389.860 4.988 50 0 GJAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1O ZINC000015009898 570871283 /nfs/dbraw/zinc/87/12/83/570871283.db2.gz VGCJSLWMQMFHEN-YVLHZVERSA-N 0 0 389.860 4.681 50 0 GJAARN CN(CC(=O)Nc1ccccc1N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000012568417 570872469 /nfs/dbraw/zinc/87/24/69/570872469.db2.gz 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COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000071818887 570893643 /nfs/dbraw/zinc/89/36/43/570893643.db2.gz NPPNKHGVWDSTIB-INIZCTEOSA-N 0 0 388.537 4.993 50 0 GJAARN Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3ccccc3)C2=O)c1C ZINC000015412199 570893791 /nfs/dbraw/zinc/89/37/91/570893791.db2.gz OGIAONFEKRBUFV-QHCPKHFHSA-N 0 0 388.442 4.564 50 0 GJAARN CCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)[C@H]1O ZINC000249698761 570896344 /nfs/dbraw/zinc/89/63/44/570896344.db2.gz WJBPXFYDIOPTIY-FOVBHJOSSA-N 0 0 378.516 4.519 50 0 GJAARN COCC(=O)NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000032901211 570896716 /nfs/dbraw/zinc/89/67/16/570896716.db2.gz GIUMJQBTPGOOPY-NRFANRHFSA-N 0 0 384.479 4.729 50 0 GJAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)Cc1ccccc1 ZINC000015583228 570897989 /nfs/dbraw/zinc/89/79/89/570897989.db2.gz IIDIRQZFFFUEFB-UHFFFAOYSA-N 0 0 386.904 4.956 50 0 GJAARN COc1ccc(-c2cc(CC(=O)Nc3ccc(C(C)C)cc3)no2)cc1OC ZINC000013574391 570898772 /nfs/dbraw/zinc/89/87/72/570898772.db2.gz CXBSAVUKVGPSQV-UHFFFAOYSA-N 0 0 380.444 4.663 50 0 GJAARN Cc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3c3ccc(F)cc3)c(=O)oc2c1 ZINC000032901545 570898799 /nfs/dbraw/zinc/89/87/99/570898799.db2.gz LYOXIYXZHFKILZ-OAQYLSRUSA-N 0 0 393.458 4.845 50 0 GJAARN Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000097143801 570899349 /nfs/dbraw/zinc/89/93/49/570899349.db2.gz AMSBHYVDZBXVDD-UHFFFAOYSA-N 0 0 390.336 4.671 50 0 GJAARN Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)cc(F)c2)c1C(F)(F)F ZINC000121019769 570899379 /nfs/dbraw/zinc/89/93/79/570899379.db2.gz SZJUYWWEXPOXBO-UHFFFAOYSA-N 0 0 381.304 4.730 50 0 GJAARN CCc1cc2c(nc3n(c2=O)CC/C3=C/c2csc(Br)c2)s1 ZINC000104514934 570900487 /nfs/dbraw/zinc/90/04/87/570900487.db2.gz ZTWGREOLOIKCCN-YHYXMXQVSA-N 0 0 393.331 4.789 50 0 GJAARN O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000015669868 570901545 /nfs/dbraw/zinc/90/15/45/570901545.db2.gz PJUNTXAGYSXQCE-UHFFFAOYSA-N 0 0 390.826 4.688 50 0 GJAARN O=C(c1ccc(Cl)s1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000023078997 570902102 /nfs/dbraw/zinc/90/21/02/570902102.db2.gz RQIHLZATKRBQEQ-UHFFFAOYSA-N 0 0 394.283 4.910 50 0 GJAARN O=C(Nc1ccc(NC(=O)[C@H]2CC=CCC2)c(C(F)(F)F)c1)c1ccco1 ZINC000014809748 570902205 /nfs/dbraw/zinc/90/22/05/570902205.db2.gz QUZHEXFNESFTLI-LBPRGKRZSA-N 0 0 378.350 4.846 50 0 GJAARN COc1ccccc1CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000032905361 570903495 /nfs/dbraw/zinc/90/34/95/570903495.db2.gz BLWWBPABKDJWFD-UHFFFAOYSA-N 0 0 379.843 4.510 50 0 GJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000014237034 570904037 /nfs/dbraw/zinc/90/40/37/570904037.db2.gz BNQTTXZKRYADEE-LADGPHEKSA-N 0 0 398.506 4.678 50 0 GJAARN Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3ccccc3)oc2c1C ZINC000015831322 570905921 /nfs/dbraw/zinc/90/59/21/570905921.db2.gz RQPWLDGDJSRUGE-UHFFFAOYSA-N 0 0 387.435 4.845 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)cc1 ZINC000015832727 570906106 /nfs/dbraw/zinc/90/61/06/570906106.db2.gz 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CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1c[nH]c2ccccc12 ZINC000016035352 570912233 /nfs/dbraw/zinc/91/22/33/570912233.db2.gz JLHUQBIHJMCBBS-BLIXFSHQSA-N 0 0 385.504 4.648 50 0 GJAARN Cc1cccc(N2C(=S)N(C(=O)Oc3ccccc3)C(=O)C23CCCCC3)c1 ZINC000005740541 570916017 /nfs/dbraw/zinc/91/60/17/570916017.db2.gz MTIDHXIOPUMCJJ-UHFFFAOYSA-N 0 0 394.496 4.830 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000004585442 570916864 /nfs/dbraw/zinc/91/68/64/570916864.db2.gz LOAXMOIJWFFFRP-UHFFFAOYSA-N 0 0 389.842 4.600 50 0 GJAARN O=C(COc1ccc2ccccc2c1)NCc1ccc(Oc2ccccc2)nc1 ZINC000089845836 570917367 /nfs/dbraw/zinc/91/73/67/570917367.db2.gz QKAMHZZHTJZRPM-UHFFFAOYSA-N 0 0 384.435 4.722 50 0 GJAARN O=C(COc1ccc2ccccc2c1)NCCSc1c[nH]c2ccccc12 ZINC000002460203 570917898 /nfs/dbraw/zinc/91/78/98/570917898.db2.gz PZQUUEAARLNBOC-UHFFFAOYSA-N 0 0 376.481 4.608 50 0 GJAARN COc1ccc(OC)c(-c2csc(NC(=O)C3(c4ccccc4)CCC3)n2)c1 ZINC000016962471 570920085 /nfs/dbraw/zinc/92/00/85/570920085.db2.gz 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570924426 /nfs/dbraw/zinc/92/44/26/570924426.db2.gz OTQMQALDLGOPAZ-NSHDSACASA-N 0 0 378.295 4.754 50 0 GJAARN CC(C)c1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3n2CCS3)cc1 ZINC000017113619 570928063 /nfs/dbraw/zinc/92/80/63/570928063.db2.gz JOQQLYMFDIYOMH-UHFFFAOYSA-N 0 0 395.503 4.848 50 0 GJAARN Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(Cl)nc1 ZINC000004063079 570928106 /nfs/dbraw/zinc/92/81/06/570928106.db2.gz OMMHEZGLRDVPDB-UHFFFAOYSA-N 0 0 380.860 4.967 50 0 GJAARN C[C@H]1CCc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)c(C(N)=O)c2C1 ZINC000004071918 570929551 /nfs/dbraw/zinc/92/95/51/570929551.db2.gz HLCAYXGMQBJWNK-QMMMGPOBSA-N 0 0 383.300 4.531 50 0 GJAARN COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000000935590 570929966 /nfs/dbraw/zinc/92/99/66/570929966.db2.gz BVRXXFGOIMEEPF-INIZCTEOSA-N 0 0 375.424 4.546 50 0 GJAARN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1Br ZINC000001078129 570931313 /nfs/dbraw/zinc/93/13/13/570931313.db2.gz TWJAEXMWTPNJOZ-UHFFFAOYSA-N 0 0 398.322 4.690 50 0 GJAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1nc(-c2ccccc2)cs1 ZINC000016705283 570931560 /nfs/dbraw/zinc/93/15/60/570931560.db2.gz PFGFEIHRBBEOJB-UHFFFAOYSA-N 0 0 390.468 4.822 50 0 GJAARN CC(C)n1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cn1 ZINC000263587441 570931615 /nfs/dbraw/zinc/93/16/15/570931615.db2.gz GXUZXEMZVRWILT-LJQANCHMSA-N 0 0 384.483 4.941 50 0 GJAARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccccc1C(F)(F)F ZINC000016716907 570931648 /nfs/dbraw/zinc/93/16/48/570931648.db2.gz OZGGGZSGYOIPHP-LLVKDONJSA-N 0 0 379.407 4.711 50 0 GJAARN CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000016750365 570932591 /nfs/dbraw/zinc/93/25/91/570932591.db2.gz OEGRWGXEAPJMOR-KRWDZBQOSA-N 0 0 398.256 4.511 50 0 GJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCCC)c1 ZINC000016751963 570932662 /nfs/dbraw/zinc/93/26/62/570932662.db2.gz BGYIGMPYDQSYKA-NRFANRHFSA-N 0 0 391.467 4.927 50 0 GJAARN COc1ccc(Cl)cc1Nc1nc2ccccc2c(NC[C@H]2CCCO2)n1 ZINC000002876567 570934261 /nfs/dbraw/zinc/93/42/61/570934261.db2.gz RTECYYUXOIJBGJ-CQSZACIVSA-N 0 0 384.867 4.626 50 0 GJAARN CCCCCCc1cc2cc(-c3nc4ccccc4c(=O)[nH]3)c(=N)oc2cc1O ZINC000002082147 570934643 /nfs/dbraw/zinc/93/46/43/570934643.db2.gz MCEDPGDGQVXBCU-UHFFFAOYSA-N 0 0 389.455 4.644 50 0 GJAARN Cc1ccc(C)c(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000016899413 570934823 /nfs/dbraw/zinc/93/48/23/570934823.db2.gz HRSQSBWYEZSKRX-MRXNPFEDSA-N 0 0 394.418 4.764 50 0 GJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000046913575 570935995 /nfs/dbraw/zinc/93/59/95/570935995.db2.gz AZQYMEAYTOSJGP-UHFFFAOYSA-N 0 0 391.862 4.573 50 0 GJAARN Cc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)C[C@H]2C)cc1 ZINC000017077175 570938898 /nfs/dbraw/zinc/93/88/98/570938898.db2.gz IMGBZANQLKPDAY-OAHLLOKOSA-N 0 0 377.410 4.756 50 0 GJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc(F)cc1 ZINC000002091798 570940190 /nfs/dbraw/zinc/94/01/90/570940190.db2.gz AKSJOQSIHUIONZ-UHFFFAOYSA-N 0 0 389.382 4.617 50 0 biogenic GJAARN COc1ccc(CN(CC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000002100272 570942245 /nfs/dbraw/zinc/94/22/45/570942245.db2.gz SIEFQYYABPFRTB-IFMALSPDSA-N 0 0 375.553 4.911 50 0 biogenic GJAARN Cc1ccc(-c2nnc(SC[C@H]3CCN(C(=O)OC(C)(C)C)C3)o2)c(C)c1 ZINC000170640027 570946280 /nfs/dbraw/zinc/94/62/80/570946280.db2.gz KYAPTZLQJZSKRA-HNNXBMFYSA-N 0 0 389.521 4.703 50 0 GJAARN COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1=O ZINC000005440363 570946830 /nfs/dbraw/zinc/94/68/30/570946830.db2.gz CHZSUOCIEPOIPE-UHFFFAOYSA-N 0 0 386.451 4.741 50 0 GJAARN COc1ccc(C2=C/C(=C/c3c(OC)ccc4ccccc43)C(=O)O2)c(OC)c1 ZINC000000657166 570950114 /nfs/dbraw/zinc/95/01/14/570950114.db2.gz OKJFCNQRDKFAJZ-VBKFSLOCSA-N 0 0 388.419 4.847 50 0 GJAARN C[C@H](CNC(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2n1C(F)F ZINC000010638914 570951635 /nfs/dbraw/zinc/95/16/35/570951635.db2.gz VGXFZJNSZMAEFY-CQSZACIVSA-N 0 0 396.441 4.765 50 0 GJAARN N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000001269523 570951849 /nfs/dbraw/zinc/95/18/49/570951849.db2.gz MUUFPRSGUCTVLB-HNNXBMFYSA-N 0 0 380.300 4.911 50 0 GJAARN O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCCC[C@H]1c1ccccc1 ZINC000020606119 570952116 /nfs/dbraw/zinc/95/21/16/570952116.db2.gz VXMNDSYXHXUJIH-NRFANRHFSA-N 0 0 395.890 4.940 50 0 GJAARN Clc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 ZINC000263615111 570952200 /nfs/dbraw/zinc/95/22/00/570952200.db2.gz APGPMRSHSBLBEO-GOSISDBHSA-N 0 0 378.819 4.525 50 0 GJAARN O=C(Oc1ccc(OC(=O)c2ccccc2)c(Br)c1)c1ccccc1 ZINC000000829898 570952454 /nfs/dbraw/zinc/95/24/54/570952454.db2.gz NQIPWKPOKFIRIQ-UHFFFAOYSA-N 0 0 397.224 4.888 50 0 GJAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1C(F)(F)F ZINC000010648261 570954134 /nfs/dbraw/zinc/95/41/34/570954134.db2.gz XSGDLMCIJRKXCF-UHFFFAOYSA-N 0 0 391.267 4.520 50 0 GJAARN Clc1ccc([C@H]2Cn3nc(-c4nc(-c5cccs5)no4)cc3CO2)cc1 ZINC000263617770 570954722 /nfs/dbraw/zinc/95/47/22/570954722.db2.gz PNKYLIFVNFCQNB-OAHLLOKOSA-N 0 0 384.848 4.587 50 0 GJAARN CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 ZINC000001288043 570954778 /nfs/dbraw/zinc/95/47/78/570954778.db2.gz IKZUMYKFQCPVKI-UHFFFAOYSA-N 0 0 393.512 4.848 50 0 GJAARN Cc1ccccc1Sc1nccnc1SCC(=O)Nc1ccccc1F ZINC000033288941 570956083 /nfs/dbraw/zinc/95/60/83/570956083.db2.gz MTUSKHUKXNKFGU-UHFFFAOYSA-N 0 0 385.489 4.806 50 0 GJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc2ccccc21)CCCC3=O ZINC000001306849 570957307 /nfs/dbraw/zinc/95/73/07/570957307.db2.gz KJFWGPLKTISRPF-UHFFFAOYSA-N 0 0 387.464 4.803 50 0 GJAARN Cc1cccc(N2CCN(C(=O)/C=C\c3c(Cl)cccc3Cl)CC2)c1C ZINC000033290936 570958621 /nfs/dbraw/zinc/95/86/21/570958621.db2.gz LICLTDXTFSYVBE-KTKRTIGZSA-N 0 0 389.326 4.972 50 0 GJAARN Clc1ccccc1-c1noc(Cc2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000033298262 570962542 /nfs/dbraw/zinc/96/25/42/570962542.db2.gz SRCONCNZRSKGKM-UHFFFAOYSA-N 0 0 397.843 4.833 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc2s1 ZINC000033298868 570962989 /nfs/dbraw/zinc/96/29/89/570962989.db2.gz VELLBUHPKSKOSG-UHFFFAOYSA-N 0 0 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CCOC(=O)/C(=C/OCCOc1cc(Cl)ccc1Cl)Oc1ccccc1 ZINC000002146573 570971601 /nfs/dbraw/zinc/97/16/01/570971601.db2.gz FQTBYXLWNSAKNC-AQTBWJFISA-N 0 0 397.254 4.872 50 0 GJAARN CC(=O)N(c1nc(COc2nc(C(C)C)no2)cs1)c1ccc(Cl)cc1 ZINC000107419165 570973373 /nfs/dbraw/zinc/97/33/73/570973373.db2.gz BWFHWMMTZUKNQD-UHFFFAOYSA-N 0 0 392.868 4.567 50 0 GJAARN Cn1nc(C(=O)Nc2nc(-c3cccs3)cs2)c(Cl)c1C(F)(F)F ZINC000002778020 570975166 /nfs/dbraw/zinc/97/51/66/570975166.db2.gz RKPXHTHDYCIHQZ-UHFFFAOYSA-N 0 0 392.815 4.530 50 0 GJAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000252497274 570975650 /nfs/dbraw/zinc/97/56/50/570975650.db2.gz QCUNOVHPMGGZNB-QFIPXVFZSA-N 0 0 394.471 4.674 50 0 GJAARN O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1Cl ZINC000001387992 570975954 /nfs/dbraw/zinc/97/59/54/570975954.db2.gz SACZGJSPHVEBEJ-UHFFFAOYSA-N 0 0 382.634 4.585 50 0 GJAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2oc3ccccc3c2c1 ZINC000012733075 570976434 /nfs/dbraw/zinc/97/64/34/570976434.db2.gz 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570985383 /nfs/dbraw/zinc/98/53/83/570985383.db2.gz KJLGXRCRAVAVHR-DXPJPUQTSA-N 0 0 378.469 4.614 50 0 GJAARN COc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)(C)C)cc1Cl ZINC000585152356 570985843 /nfs/dbraw/zinc/98/58/43/570985843.db2.gz STNBYSSRDPWYPD-KRWDZBQOSA-N 0 0 399.878 4.916 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000012742695 570986589 /nfs/dbraw/zinc/98/65/89/570986589.db2.gz LKNZQDGZIGTENY-NRFANRHFSA-N 0 0 389.407 4.728 50 0 GJAARN COc1ccc(CNc2nc3ccc(C)cc3cc2-c2noc(C)n2)c(OC)c1 ZINC000033331524 570987481 /nfs/dbraw/zinc/98/74/81/570987481.db2.gz XSUFJXCZOYNNAD-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000045261114 570989391 /nfs/dbraw/zinc/98/93/91/570989391.db2.gz TXQDELCVFOGXQW-LBPRGKRZSA-N 0 0 395.833 4.542 50 0 GJAARN Cc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000004787024 570990313 /nfs/dbraw/zinc/99/03/13/570990313.db2.gz DJALBJMKTXXBCS-QFIPXVFZSA-N 0 0 386.499 4.646 50 0 GJAARN CCOC(=O)c1sc(NCC(C)C)nc1CSc1nc2ccccc2o1 ZINC000098086786 570991886 /nfs/dbraw/zinc/99/18/86/570991886.db2.gz IETRJZQJVHVDLJ-UHFFFAOYSA-N 0 0 391.518 4.821 50 0 GJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1 ZINC000045649515 570994220 /nfs/dbraw/zinc/99/42/20/570994220.db2.gz ABKIRXWQFXRTFN-UHFFFAOYSA-N 0 0 398.528 4.513 50 0 GJAARN Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(F)cc3F)cc2)cc1 ZINC000025919799 570999863 /nfs/dbraw/zinc/99/98/63/570999863.db2.gz JJUXKKSEFAMKCD-UHFFFAOYSA-N 0 0 381.378 4.769 50 0 GJAARN O=C(Nc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1)c1ccccc1 ZINC000019542460 571000420 /nfs/dbraw/zinc/00/04/20/571000420.db2.gz VVVMHRMGSNGTFL-SFHVURJKSA-N 0 0 379.485 4.653 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)NCc1c2ccccc2nc2c1CCCC2 ZINC000001426315 571000737 /nfs/dbraw/zinc/00/07/37/571000737.db2.gz QBEBLDOWQYTUCD-UHFFFAOYSA-N 0 0 394.902 4.771 50 0 GJAARN CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000007614647 571001358 /nfs/dbraw/zinc/00/13/58/571001358.db2.gz 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ZINC000012756889 571008465 /nfs/dbraw/zinc/00/84/65/571008465.db2.gz IOAUUDIZKZBECU-UHFFFAOYSA-N 0 0 397.434 4.639 50 0 GJAARN Cc1ccc(CC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cn1 ZINC000084191195 571009094 /nfs/dbraw/zinc/00/90/94/571009094.db2.gz FWAXPTPARJYOIK-UHFFFAOYSA-N 0 0 375.299 4.945 50 0 GJAARN COc1cccc(C(=O)Nc2ccc(-c3nc(-c4cccc(C)c4)no3)cc2)c1 ZINC000046018699 571012186 /nfs/dbraw/zinc/01/21/86/571012186.db2.gz LWAVBBGDJVTOAY-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN CCOC(=O)CC1(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000046018646 571012294 /nfs/dbraw/zinc/01/22/94/571012294.db2.gz WJQBGSUKFUVCJW-GOSISDBHSA-N 0 0 392.927 4.843 50 0 GJAARN Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1C ZINC000012762843 571013251 /nfs/dbraw/zinc/01/32/51/571013251.db2.gz KUNDBJJNSIWPSL-HSZRJFAPSA-N 0 0 376.525 4.951 50 0 GJAARN O=c1c(C(F)(F)F)cc(C2CC2)nn1CCOc1c(Cl)cccc1Cl ZINC000084339079 571013394 /nfs/dbraw/zinc/01/33/94/571013394.db2.gz MTRAUNFDFYRIFQ-UHFFFAOYSA-N 0 0 393.192 4.525 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000046043679 571014063 /nfs/dbraw/zinc/01/40/63/571014063.db2.gz DRGLLICMNQKKTL-SFHVURJKSA-N 0 0 384.907 4.954 50 0 GJAARN Cc1cc(C)c(C)c(C(=O)CSc2nnc(NCc3ccco3)s2)c1C ZINC000012763606 571014224 /nfs/dbraw/zinc/01/42/24/571014224.db2.gz DDQHYFSFNURVEL-UHFFFAOYSA-N 0 0 387.530 4.952 50 0 GJAARN CCOc1cc2c(cc1CNC(=O)c1cc(SC)ccc1Cl)O[C@H](C)C2 ZINC000012766848 571017216 /nfs/dbraw/zinc/01/72/16/571017216.db2.gz NPUWIEMVWAANPA-GFCCVEGCSA-N 0 0 391.920 4.714 50 0 GJAARN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1 ZINC000046056839 571017364 /nfs/dbraw/zinc/01/73/64/571017364.db2.gz IWVCTJZVGLBHHR-HXUWFJFHSA-N 0 0 387.483 4.669 50 0 GJAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCS[C@H](c2ccccc2)CC1 ZINC000218970476 571019030 /nfs/dbraw/zinc/01/90/30/571019030.db2.gz VQOMZVUAVOKMOI-KRWDZBQOSA-N 0 0 383.542 4.563 50 0 GJAARN O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@@H]1c1cccs1 ZINC000084501947 571019359 /nfs/dbraw/zinc/01/93/59/571019359.db2.gz 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ZINC000002853767 209391239 /nfs/dbraw/zinc/39/12/39/209391239.db2.gz QZHVVVKIALSGBL-UHFFFAOYSA-N 0 0 375.447 4.906 50 0 GJAARN Cc1ccc(NC(=O)CCn2nc(-c3ccccc3)c3ccccc3c2=O)c(C)c1 ZINC000002840613 209389839 /nfs/dbraw/zinc/38/98/39/209389839.db2.gz QPCNVYRTLGWETB-UHFFFAOYSA-N 0 0 397.478 4.709 50 0 GJAARN CCOc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)cc1 ZINC000002836670 209389663 /nfs/dbraw/zinc/38/96/63/209389663.db2.gz CQUADWCOASLZEG-UHFFFAOYSA-N 0 0 384.819 4.836 50 0 GJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000002830161 209389752 /nfs/dbraw/zinc/38/97/52/209389752.db2.gz VTOLIRDOMQYLOS-UHFFFAOYSA-N 0 0 388.533 4.530 50 0 GJAARN CCn1cc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)cn1 ZINC000002808413 209388519 /nfs/dbraw/zinc/38/85/19/209388519.db2.gz HLUBMEIBBHJDCH-JOCHJYFZSA-N 0 0 396.494 4.926 50 0 GJAARN CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000002810657 209387675 /nfs/dbraw/zinc/38/76/75/209387675.db2.gz ZZOWCWPDSNGATA-UHFFFAOYSA-N 0 0 392.238 4.751 50 0 GJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002799897 209386707 /nfs/dbraw/zinc/38/67/07/209386707.db2.gz GJXGXRQWBBRFKZ-QMTHXVAHSA-N 0 0 385.357 4.724 50 0 GJAARN O=C(CCSc1nc2ccccc2c(=O)n1C1CC1)c1ccc(Cl)cc1 ZINC000002800434 209386740 /nfs/dbraw/zinc/38/67/40/209386740.db2.gz KXYYLVCBCBGKBY-UHFFFAOYSA-N 0 0 384.888 4.750 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2Cl)n1 ZINC000002796569 209386258 /nfs/dbraw/zinc/38/62/58/209386258.db2.gz WLKSUUOQFFYMNB-UHFFFAOYSA-N 0 0 376.243 4.787 50 0 GJAARN COc1ccc(-n2cnnc2SCc2csc(-c3ccccc3)n2)cc1 ZINC000002620670 209371221 /nfs/dbraw/zinc/37/12/21/209371221.db2.gz VNAJJJJRYNAZRE-UHFFFAOYSA-N 0 0 380.498 4.692 50 0 GJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000002512583 209368758 /nfs/dbraw/zinc/36/87/58/209368758.db2.gz JOSQMRBADFJLCB-UHFFFAOYSA-N 0 0 382.935 4.809 50 0 GJAARN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000002468011 209366633 /nfs/dbraw/zinc/36/66/33/209366633.db2.gz KCMFSZSCOBYBJA-UHFFFAOYSA-N 0 0 397.887 4.993 50 0 GJAARN COc1cccc(C(=O)Oc2c3ccccc3oc(=O)c2Cc2ccccc2)c1 ZINC000002447699 209364838 /nfs/dbraw/zinc/36/48/38/209364838.db2.gz CMYXDNVAAVKKME-UHFFFAOYSA-N 0 0 386.403 4.612 50 0 GJAARN Cc1cccc(-c2csc(NC(=O)c3cccnc3)c2C(=O)OC(C)C)c1 ZINC000002763209 209382191 /nfs/dbraw/zinc/38/21/91/209382191.db2.gz ZATYGTNSKGKWAL-UHFFFAOYSA-N 0 0 380.469 4.936 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000002734177 209381588 /nfs/dbraw/zinc/38/15/88/209381588.db2.gz BDFJFCYPYWHVSZ-UHFFFAOYSA-N 0 0 377.440 4.814 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 ZINC000002723682 209379385 /nfs/dbraw/zinc/37/93/85/209379385.db2.gz LFZGPYLKRLYKQW-UHFFFAOYSA-N 0 0 387.892 4.655 50 0 GJAARN CSc1cccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 ZINC000002725960 209379401 /nfs/dbraw/zinc/37/94/01/209379401.db2.gz BCDLJLHRESUURJ-UHFFFAOYSA-N 0 0 390.258 4.530 50 0 GJAARN O=C(CCCSc1nc2ccccc2s1)Nc1nnc(C2CC2)s1 ZINC000002726317 209379462 /nfs/dbraw/zinc/37/94/62/209379462.db2.gz LFHCWUACHVFBAK-UHFFFAOYSA-N 0 0 376.532 4.536 50 0 GJAARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724171 209379116 /nfs/dbraw/zinc/37/91/16/209379116.db2.gz JCUDFKCWDXDRRH-HSZRJFAPSA-N 0 0 388.442 4.626 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C)c(Cl)c2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000002713237 209378727 /nfs/dbraw/zinc/37/87/27/209378727.db2.gz JFYXOVGYSFZKLT-UHFFFAOYSA-N 0 0 394.784 4.809 50 0 GJAARN O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccccc1Cl ZINC000002653261 209375942 /nfs/dbraw/zinc/37/59/42/209375942.db2.gz XGBRPFLZCCRZSH-UHFFFAOYSA-N 0 0 395.842 4.568 50 0 GJAARN O=C(Cc1ccc(Br)cc1)NCCc1ccc(Cl)cc1Cl ZINC000002647045 209374274 /nfs/dbraw/zinc/37/42/74/209374274.db2.gz DKIDJBXULCWTGX-UHFFFAOYSA-N 0 0 387.104 4.657 50 0 GJAARN Cc1nc2c3ccccc3oc2c(N2CCN(c3ccccc3Cl)CC2)n1 ZINC000002422923 209363158 /nfs/dbraw/zinc/36/31/58/209363158.db2.gz HABNMNZCFMOLPV-UHFFFAOYSA-N 0 0 378.863 4.664 50 0 GJAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCCOc1ccccc1 ZINC000002421354 209362072 /nfs/dbraw/zinc/36/20/72/209362072.db2.gz PGNYLZFPDZUKMF-UHFFFAOYSA-N 0 0 388.492 4.865 50 0 GJAARN Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccc(Cl)c1 ZINC000002390994 209361670 /nfs/dbraw/zinc/36/16/70/209361670.db2.gz FWOBFVBSKONSBS-UHFFFAOYSA-N 0 0 384.814 4.623 50 0 GJAARN COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1F)nn3CC(C)C ZINC000002395382 209361789 /nfs/dbraw/zinc/36/17/89/209361789.db2.gz RNRBCKIMGGTMRX-UHFFFAOYSA-N 0 0 392.434 4.641 50 0 GJAARN Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cnccn2)cc1 ZINC000002363053 209358873 /nfs/dbraw/zinc/35/88/73/209358873.db2.gz LZOSLMHROFXNHM-VMPITWQZSA-N 0 0 385.496 4.838 50 0 GJAARN O=c1c2c(-c3cccs3)csc2ncn1-c1ccc(Br)cc1 ZINC000002287047 209355098 /nfs/dbraw/zinc/35/50/98/209355098.db2.gz HCUKXCWUDSINBI-UHFFFAOYSA-N 0 0 389.299 4.938 50 0 aggregator GJAARN CCN(CC)c1ccc2cc(-c3nnc(Nc4ccccc4)s3)c(=O)oc2c1 ZINC000002269993 209353908 /nfs/dbraw/zinc/35/39/08/209353908.db2.gz QNETXKXUSKHMMF-UHFFFAOYSA-N 0 0 392.484 4.901 50 0 biogenic GJAARN CCCCN(C)c1ncnc2c1sc1nc(CC)c3c(c12)CC(C)(C)OC3 ZINC000002270613 209353625 /nfs/dbraw/zinc/35/36/25/209353625.db2.gz MMTVIFURRBFJBX-UHFFFAOYSA-N 0 0 384.549 4.890 50 0 GJAARN Cc1nn2c(-c3cccc(NC(=O)C4CCCCC4)c3)nnc2c2ccccc12 ZINC000002265933 209353496 /nfs/dbraw/zinc/35/34/96/209353496.db2.gz COXDWOYZLDGOBL-UHFFFAOYSA-N 0 0 385.471 4.772 50 0 GJAARN Cc1cccc(C)c1NC(=O)C1(N2C(=O)C[C@@H]2c2ccccc2)CCCCC1 ZINC000002272161 209353402 /nfs/dbraw/zinc/35/34/02/209353402.db2.gz VXOGWUCKNNNMHQ-HXUWFJFHSA-N 0 0 376.500 4.918 50 0 GJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000002239126 209352239 /nfs/dbraw/zinc/35/22/39/209352239.db2.gz WRYCQEZFTIOWBC-UHFFFAOYSA-N 0 0 394.887 4.805 50 0 GJAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc2ccccc2c1 ZINC000002231509 209350794 /nfs/dbraw/zinc/35/07/94/209350794.db2.gz ZRGMRNWWYRKFQR-UHFFFAOYSA-N 0 0 375.497 4.567 50 0 GJAARN CCCCn1nc(NC(=O)c2ccccc2OC)c2cc3cc(C)ccc3nc21 ZINC000002199365 209350510 /nfs/dbraw/zinc/35/05/10/209350510.db2.gz UTVACAVPVQWYHO-UHFFFAOYSA-N 0 0 388.471 4.954 50 0 GJAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2)cc1 ZINC000002203906 209349480 /nfs/dbraw/zinc/34/94/80/209349480.db2.gz GFOIUCBGKJELLF-UHFFFAOYSA-N 0 0 395.462 4.769 50 0 GJAARN CCCCCCSc1nnc2c(n1)O[C@@H](CC)N(C(C)=O)c1ccccc1-2 ZINC000002104625 209347766 /nfs/dbraw/zinc/34/77/66/209347766.db2.gz RZBKTRVSFMRVBM-KRWDZBQOSA-N 0 0 386.521 4.692 50 0 GJAARN O=C(CCCOc1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000001779449 209338977 /nfs/dbraw/zinc/33/89/77/209338977.db2.gz HWHDVTUZTLQENG-UHFFFAOYSA-N 0 0 381.472 4.974 50 0 GJAARN COc1ccc(-c2nc3ncccc3n2OCc2cccc(C(F)(F)F)c2)cc1 ZINC000001400200 209326757 /nfs/dbraw/zinc/32/67/57/209326757.db2.gz IZXOJVDWQQHRMO-UHFFFAOYSA-N 0 0 399.372 4.755 50 0 GJAARN Cc1cc(C)c(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 ZINC000001410930 209326766 /nfs/dbraw/zinc/32/67/66/209326766.db2.gz DYJYTXBMYFJSHS-UHFFFAOYSA-N 0 0 386.648 4.876 50 0 GJAARN Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3c(F)cccc3Cl)c2cc1C ZINC000001401782 209326907 /nfs/dbraw/zinc/32/69/07/209326907.db2.gz UXKBWIYUUVKMTL-UHFFFAOYSA-N 0 0 381.838 4.849 50 0 GJAARN C[C@@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385977 209325868 /nfs/dbraw/zinc/32/58/68/209325868.db2.gz GEWYNZJJVBJZCD-OAHLLOKOSA-N 0 0 392.405 4.547 50 0 GJAARN COc1ccc2sc(N(Cc3ccncc3)C(=O)c3cccs3)nc2c1 ZINC000010254263 209324232 /nfs/dbraw/zinc/32/42/32/209324232.db2.gz IEGBRHZXEGMTRO-UHFFFAOYSA-N 0 0 381.482 4.608 50 0 GJAARN O=C(Cc1noc2ccccc12)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000009873803 209318956 /nfs/dbraw/zinc/31/89/56/209318956.db2.gz AOFRSWUQGOYFTD-UHFFFAOYSA-N 0 0 375.409 4.879 50 0 GJAARN CSc1nc2sc3c(c2c2nnc(SC(C)C)n21)C[C@H](C(C)C)OC3 ZINC000001254825 209317763 /nfs/dbraw/zinc/31/77/63/209317763.db2.gz NTMLYHVXPDKMOG-LLVKDONJSA-N 0 0 394.591 4.659 50 0 GJAARN O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000001245738 209317791 /nfs/dbraw/zinc/31/77/91/209317791.db2.gz JTASLAQDAOBYCD-QHCPKHFHSA-N 0 0 387.866 4.980 50 0 GJAARN C[C@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000001447603 209329891 /nfs/dbraw/zinc/32/98/91/209329891.db2.gz IZPSLLVYTVDJFL-AWEZNQCLSA-N 0 0 378.863 4.534 50 0 GJAARN Fc1cc(Cl)ccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001454302 209329010 /nfs/dbraw/zinc/32/90/10/209329010.db2.gz WLZUIPNIRBTWMT-UHFFFAOYSA-N 0 0 384.307 4.652 50 0 GJAARN Cc1[nH]c2ccc(C)cc2c1CCNC(=O)c1ccc(C(=O)c2ccccc2)o1 ZINC000001445968 209327810 /nfs/dbraw/zinc/32/78/10/209327810.db2.gz XCPSMPFGOJJYHT-UHFFFAOYSA-N 0 0 386.451 4.581 50 0 GJAARN CC[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000001217472 209316287 /nfs/dbraw/zinc/31/62/87/209316287.db2.gz RHYLOQFANKFQPP-VIFPVBQESA-N 0 0 397.327 4.921 50 0 GJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000001217659 209315912 /nfs/dbraw/zinc/31/59/12/209315912.db2.gz JFJXROZOLUQIBR-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN O=C(Nc1ccc(I)cc1Cl)c1ccccc1Cl ZINC000001218370 209315725 /nfs/dbraw/zinc/31/57/25/209315725.db2.gz PPCIRIMLHMCZTH-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN COc1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)cc1 ZINC000001212633 209314536 /nfs/dbraw/zinc/31/45/36/209314536.db2.gz LZJNSESVTDKRMS-UHFFFAOYSA-N 0 0 395.640 4.740 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000001185360 209312423 /nfs/dbraw/zinc/31/24/23/209312423.db2.gz QVGCNERAKXAVNE-UHFFFAOYSA-N 0 0 397.265 4.909 50 0 GJAARN COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2ccc(F)cc2)c1 ZINC000001187013 209312289 /nfs/dbraw/zinc/31/22/89/209312289.db2.gz JALDHDPJGYYZHA-JOCHJYFZSA-N 0 0 391.442 4.788 50 0 GJAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)c1 ZINC000001185948 209312240 /nfs/dbraw/zinc/31/22/40/209312240.db2.gz WKXUEDUVWBSTJZ-UHFFFAOYSA-N 0 0 393.493 4.992 50 0 GJAARN COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 ZINC000001185951 209311765 /nfs/dbraw/zinc/31/17/65/209311765.db2.gz WJKADHDTDRUOAM-UHFFFAOYSA-N 0 0 388.423 4.829 50 0 biogenic GJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000001188000 209311365 /nfs/dbraw/zinc/31/13/65/209311365.db2.gz QIUGKJVQTJBBBM-UHFFFAOYSA-N 0 0 388.320 4.748 50 0 GJAARN Cc1ccccc1C(=O)Nc1ccc(I)cc1C(C)C ZINC000001161110 209308920 /nfs/dbraw/zinc/30/89/20/209308920.db2.gz JYYDWVYPCYHKCW-UHFFFAOYSA-N 0 0 379.241 4.975 50 0 GJAARN CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)sc2c1 ZINC000001138430 209305245 /nfs/dbraw/zinc/30/52/45/209305245.db2.gz GBHMGVVALUHDFT-UHFFFAOYSA-N 0 0 385.514 4.602 50 0 GJAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000001136140 209304847 /nfs/dbraw/zinc/30/48/47/209304847.db2.gz WXNSMGZCYLCLQJ-UHFFFAOYSA-N 0 0 393.508 4.838 50 0 GJAARN Cc1ccc(/C=C/C(=O)Nc2ccccc2NC(=O)/C=C/c2ccc(C)o2)o1 ZINC000001113168 209302906 /nfs/dbraw/zinc/30/29/06/209302906.db2.gz HVABPSZETGVCBO-PHEQNACWSA-N 0 0 376.412 4.793 50 0 GJAARN CC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001115682 209302418 /nfs/dbraw/zinc/30/24/18/209302418.db2.gz COQVOHAELNLDTB-LBPRGKRZSA-N 0 0 395.286 4.994 50 0 GJAARN NC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001113101 209302283 /nfs/dbraw/zinc/30/22/83/209302283.db2.gz WREKUTLYZGNNDI-UHFFFAOYSA-N 0 0 375.211 4.605 50 0 GJAARN Cc1cc(NC(=O)Cc2ccc(Cl)cc2)c(C)cc1I ZINC000001104856 209301252 /nfs/dbraw/zinc/30/12/52/209301252.db2.gz VURCTPDGUGLOFS-UHFFFAOYSA-N 0 0 399.659 4.743 50 0 GJAARN CC(C)(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000001105211 209300964 /nfs/dbraw/zinc/30/09/64/209300964.db2.gz YYLAHKJXAAIDRP-UHFFFAOYSA-N 0 0 387.471 4.555 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000001102495 209299860 /nfs/dbraw/zinc/29/98/60/209299860.db2.gz QFDXZVXIZQKNIC-GFCCVEGCSA-N 0 0 395.908 4.909 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ncc3ccccc3c12 ZINC000001095027 209299512 /nfs/dbraw/zinc/29/95/12/209299512.db2.gz JSXHUWOJVFHXMD-UHFFFAOYSA-N 0 0 378.815 4.549 50 0 GJAARN O=C1c2ccccc2[C@](O)(c2ccccc2)N1c1ccc(Cc2ccncc2)cc1 ZINC000001080716 209298475 /nfs/dbraw/zinc/29/84/75/209298475.db2.gz OMCGUNOHTQHZRH-AREMUKBSSA-N 0 0 392.458 4.526 50 0 GJAARN O=C(Nc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000001085190 209298226 /nfs/dbraw/zinc/29/82/26/209298226.db2.gz WMZRRXZKVKUQSA-QWHCGFSZSA-N 0 0 388.678 4.636 50 0 GJAARN Cc1[nH]c2ccc(C)cc2c1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000001072121 209296889 /nfs/dbraw/zinc/29/68/89/209296889.db2.gz JIHYILUFJDFIEE-UHFFFAOYSA-N 0 0 384.545 4.603 50 0 GJAARN Cc1cc2nc(SCC(=O)N(C)C)n(Cc3ccccc3Cl)c2cc1C ZINC000001060010 209295759 /nfs/dbraw/zinc/29/57/59/209295759.db2.gz ADBKAPRLGYTZHQ-UHFFFAOYSA-N 0 0 387.936 4.535 50 0 GJAARN Cc1nc2cc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)ccc2o1 ZINC000009709899 209295170 /nfs/dbraw/zinc/29/51/70/209295170.db2.gz PGVMRCNQAOGJEX-UHFFFAOYSA-N 0 0 383.354 4.641 50 0 GJAARN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 ZINC000001068166 209295316 /nfs/dbraw/zinc/29/53/16/209295316.db2.gz MMBDDPZYULEBQS-UHFFFAOYSA-N 0 0 381.379 4.501 50 0 GJAARN Cc1cc(I)cc(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000001042297 209292653 /nfs/dbraw/zinc/29/26/53/209292653.db2.gz GRHDZHIOZWYBRH-UHFFFAOYSA-N 0 0 385.632 4.814 50 0 GJAARN CCOC(=O)c1c(C)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C ZINC000001043849 209292472 /nfs/dbraw/zinc/29/24/72/209292472.db2.gz LBOGEWCCCOMUQO-UHFFFAOYSA-N 0 0 381.181 4.991 50 0 GJAARN Cc1cc(Br)c2nc(-c3cccc(C(F)(F)F)c3)oc(=O)c2c1 ZINC000001040669 209292518 /nfs/dbraw/zinc/29/25/18/209292518.db2.gz FPYVCSXCCGKIFJ-UHFFFAOYSA-N 0 0 384.151 4.945 50 0 GJAARN O=C(Nc1n[nH]c(-c2ccccc2)c1Br)c1ccc(Cl)cc1 ZINC000001037313 209291841 /nfs/dbraw/zinc/29/18/41/209291841.db2.gz WTFHBWCJAYSGDQ-UHFFFAOYSA-N 0 0 376.641 4.745 50 0 GJAARN Cc1c(Sc2ccc(Cl)cc2)cnn1S(=O)(=O)c1ccc(C)cc1 ZINC000001047949 209293622 /nfs/dbraw/zinc/29/36/22/209293622.db2.gz AQWRYUITDVBSJX-UHFFFAOYSA-N 0 0 378.906 4.542 50 0 GJAARN O=C(Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000001037542 209291485 /nfs/dbraw/zinc/29/14/85/209291485.db2.gz XGNBXJMOQBRSDO-UHFFFAOYSA-N 0 0 392.889 4.878 50 0 GJAARN Cc1ccc(S(=O)(=O)N(CCc2ccccn2)c2ccc(C(C)C)cc2)cc1 ZINC000001033035 209290696 /nfs/dbraw/zinc/29/06/96/209290696.db2.gz YXRKWYIIKTUXFH-UHFFFAOYSA-N 0 0 394.540 4.951 50 0 GJAARN CCOC(=O)c1cnc(SCc2ccc(Cl)cc2)nc1C(F)(F)F ZINC000001027284 209290720 /nfs/dbraw/zinc/29/07/20/209290720.db2.gz XJYNAOQYGKGIIG-UHFFFAOYSA-N 0 0 376.787 4.618 50 0 GJAARN Cc1cc(-c2nc(-c3ccnn3C(=O)Nc3cccc(Cl)c3)cs2)no1 ZINC000001031917 209290459 /nfs/dbraw/zinc/29/04/59/209290459.db2.gz NEOMWTCGABJFEV-UHFFFAOYSA-N 0 0 385.836 4.704 50 0 GJAARN COc1ccc(Oc2cccc(F)c2CNC(=O)c2ccc(OC)cc2)cc1 ZINC000001024374 209290581 /nfs/dbraw/zinc/29/05/81/209290581.db2.gz HJGRSWSHKKXSCJ-UHFFFAOYSA-N 0 0 381.403 4.565 50 0 GJAARN COc1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1OC ZINC000001033118 209290382 /nfs/dbraw/zinc/29/03/82/209290382.db2.gz CCSPNWYGONQOHG-UHFFFAOYSA-N 0 0 375.877 4.544 50 0 biogenic GJAARN C[C@H](NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccccc1 ZINC000000998017 209287501 /nfs/dbraw/zinc/28/75/01/209287501.db2.gz AGMHPWQEGVBHOU-NSHDSACASA-N 0 0 393.336 4.906 50 0 GJAARN CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1C ZINC000000992861 209286190 /nfs/dbraw/zinc/28/61/90/209286190.db2.gz JVORAXFAMIJUNQ-UHFFFAOYSA-N 0 0 387.435 4.660 50 0 GJAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000000990054 209285983 /nfs/dbraw/zinc/28/59/83/209285983.db2.gz WCNHBHLABDRUIW-SANMLTNESA-N 0 0 399.490 4.817 50 0 GJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)OCC(=O)Nc1ccccc1Cl ZINC000000954931 209283829 /nfs/dbraw/zinc/28/38/29/209283829.db2.gz GEPVOSGRENMHLK-SOFGYWHQSA-N 0 0 384.646 4.842 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccnc1 ZINC000000952440 209283543 /nfs/dbraw/zinc/28/35/43/209283543.db2.gz HHVZTDJSEZQCKK-UHFFFAOYSA-N 0 0 386.860 4.893 50 0 GJAARN Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)N2CCCCC2)n1 ZINC000000947715 209282492 /nfs/dbraw/zinc/28/24/92/209282492.db2.gz DDFZBVWOSSPPAZ-UHFFFAOYSA-N 0 0 383.542 4.771 50 0 GJAARN O=C(N(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000000938397 209281021 /nfs/dbraw/zinc/28/10/21/209281021.db2.gz MOBWGJKNPFCVAD-UHFFFAOYSA-N 0 0 375.447 4.906 50 0 GJAARN CCc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c(Cl)c2)cc1 ZINC000000944066 209281861 /nfs/dbraw/zinc/28/18/61/209281861.db2.gz DZMWRBQPYUMOEC-UHFFFAOYSA-N 0 0 391.876 4.960 50 0 GJAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919434 209279069 /nfs/dbraw/zinc/27/90/69/209279069.db2.gz RGJIBVUOHKDOLN-BBRMVZONSA-N 0 0 390.365 4.697 50 0 GJAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000000897293 209278254 /nfs/dbraw/zinc/27/82/54/209278254.db2.gz GDSHYVDDFQALBQ-UHFFFAOYSA-N 0 0 386.480 4.613 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 ZINC000000856427 209273593 /nfs/dbraw/zinc/27/35/93/209273593.db2.gz QUXGIEAJPOWHCA-UHFFFAOYSA-N 0 0 393.390 4.795 50 0 GJAARN CCOc1cc(-c2cc(OC)c(OC)c(OC)c2)cc(=O)c2c(C)oc(C)c21 ZINC000000892069 209275284 /nfs/dbraw/zinc/27/52/84/209275284.db2.gz MXMLKECABSTTLT-UHFFFAOYSA-N 0 0 384.428 4.501 50 0 biogenic GJAARN COc1ccc(OC)c(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1 ZINC000000869319 209274819 /nfs/dbraw/zinc/27/48/19/209274819.db2.gz JUKWEFUQZISAKK-UHFFFAOYSA-N 0 0 390.798 4.712 50 0 GJAARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 ZINC000000872729 209274849 /nfs/dbraw/zinc/27/48/49/209274849.db2.gz ZSVCYSWIMFTESD-CQSZACIVSA-N 0 0 382.287 4.747 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000000871595 209274049 /nfs/dbraw/zinc/27/40/49/209274049.db2.gz LCQVRNLJPLTZRY-PGAZUGQPSA-N 0 0 393.486 4.643 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000853653 209273142 /nfs/dbraw/zinc/27/31/42/209273142.db2.gz RFHMJDASVPAOJR-UHFFFAOYSA-N 0 0 383.542 4.918 50 0 GJAARN O=c1oc2ccc(Cl)cc2cc1-c1ccc(I)cc1 ZINC000000838876 209270504 /nfs/dbraw/zinc/27/05/04/209270504.db2.gz HKQOLVGIKAIJLC-UHFFFAOYSA-N 0 0 382.584 4.718 50 0 GJAARN Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@]2(C)C1=O ZINC000000828226 209270327 /nfs/dbraw/zinc/27/03/27/209270327.db2.gz UMTHBAXVVOYZLI-GLSWWRQESA-N 0 0 379.459 4.782 50 0 GJAARN O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000824910 209269840 /nfs/dbraw/zinc/26/98/40/209269840.db2.gz LDIXXNUTMYZROJ-GFCCVEGCSA-N 0 0 384.115 4.940 50 0 GJAARN CC1(C)C[C@H](n2c(=O)c3ccccc3nc2SCc2ccccc2)CCO1 ZINC000000822721 209269103 /nfs/dbraw/zinc/26/91/03/209269103.db2.gz ZSQCGDFEZXKZGK-QGZVFWFLSA-N 0 0 380.513 4.819 50 0 GJAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3)oc2c(C)c1 ZINC000000724402 209262692 /nfs/dbraw/zinc/26/26/92/209262692.db2.gz CQOUGTULGPXHKU-UHFFFAOYSA-N 0 0 381.501 4.971 50 0 GJAARN Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 ZINC000000712748 209262158 /nfs/dbraw/zinc/26/21/58/209262158.db2.gz BQLFOWLRZVWJEZ-UHFFFAOYSA-N 0 0 399.541 4.647 50 0 GJAARN CCCc1cc(C(=O)OCC)c(NC(=O)c2ccc(OC(C)C)cc2)s1 ZINC000000680051 209258780 /nfs/dbraw/zinc/25/87/80/209258780.db2.gz HAUSPWPHDGJDDH-UHFFFAOYSA-N 0 0 375.490 4.917 50 0 GJAARN CC(C)Oc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000000662808 209257132 /nfs/dbraw/zinc/25/71/32/209257132.db2.gz NTQWVPFMZIZWSS-LICLKQGHSA-N 0 0 386.245 4.581 50 0 GJAARN COC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 ZINC000000677542 209257608 /nfs/dbraw/zinc/25/76/08/209257608.db2.gz UHQSIQGEHJXZEZ-TVQRCGJNSA-N 0 0 388.316 4.553 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(C)ccc3n2)cc1 ZINC000000653193 209255613 /nfs/dbraw/zinc/25/56/13/209255613.db2.gz ZYSJAXXSYCKZBP-UHFFFAOYSA-N 0 0 397.478 4.934 50 0 GJAARN COc1ccc2nc(Cl)c(-c3nnc4c(Cl)nc5ccccc5n43)cc2c1 ZINC000000659073 209256351 /nfs/dbraw/zinc/25/63/51/209256351.db2.gz ABGPUQXRCXUIFE-UHFFFAOYSA-N 0 0 396.237 4.808 50 0 GJAARN O=C(NC1CCCCCC1)c1cc(Br)ccc1Br ZINC000000642772 209253705 /nfs/dbraw/zinc/25/37/05/209253705.db2.gz SWGLAGOFRLJYAE-UHFFFAOYSA-N 0 0 375.104 4.664 50 0 GJAARN O=C(OCc1ccccc1)N1CC(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000000626426 209251763 /nfs/dbraw/zinc/25/17/63/209251763.db2.gz HECRUWTZAMPQOS-XZOQPEGZSA-N 0 0 387.435 4.665 50 0 GJAARN COc1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1 ZINC000000622043 209250803 /nfs/dbraw/zinc/25/08/03/209250803.db2.gz CKKBMXQJCGCPOW-UHFFFAOYSA-N 0 0 398.054 4.611 50 0 GJAARN CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000000537931 209250875 /nfs/dbraw/zinc/25/08/75/209250875.db2.gz JCCNYMKQOSZNPW-UHFFFAOYSA-N 0 0 382.891 4.888 50 0 fda GJAARN COc1ccc(C[C@@H](OC)[C@H](O)c2ccccc2)c(OCc2ccccc2)c1 ZINC000000622443 209250233 /nfs/dbraw/zinc/25/02/33/209250233.db2.gz MAJBYSWTUGYQHM-DNQXCXABSA-N 0 0 378.468 4.565 50 0 GJAARN COc1ccc(-c2c(C)c3ccc(OC(=O)c4ccco4)cc3oc2=O)cc1 ZINC000004340147 209231944 /nfs/dbraw/zinc/23/19/44/209231944.db2.gz RDYBEGJSNYFANY-UHFFFAOYSA-N 0 0 376.364 4.589 50 0 GJAARN CCN(CC)C(=O)Oc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000004340241 209231630 /nfs/dbraw/zinc/23/16/30/209231630.db2.gz CHYBSVWMEYJNEH-UHFFFAOYSA-N 0 0 381.428 4.618 50 0 GJAARN CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC)ccc3c2=O)cc1 ZINC000002424943 209229932 /nfs/dbraw/zinc/22/99/32/209229932.db2.gz ZMJLAWROHWNBHG-UHFFFAOYSA-N 0 0 382.412 4.859 50 0 biogenic GJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)cc1 ZINC000263618982 209227665 /nfs/dbraw/zinc/22/76/65/209227665.db2.gz WJIHBRXEQGIERE-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN Fc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263619405 209227727 /nfs/dbraw/zinc/22/77/27/209227727.db2.gz YOEOBWWEZWKAQH-SFHVURJKSA-N 0 0 396.809 4.664 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC2CCC2)[C@H]1c1cccs1 ZINC000257173748 209224323 /nfs/dbraw/zinc/22/43/23/209224323.db2.gz WCQHAQGXBPETAL-NHCUHLMSSA-N 0 0 396.556 4.601 50 0 GJAARN O=C1C[C@H](c2ccco2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc32)O1 ZINC000253414990 209219300 /nfs/dbraw/zinc/21/93/00/209219300.db2.gz ZHQUPXUOCDDBEC-OAHLLOKOSA-N 0 0 376.339 4.633 50 0 biogenic GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239296989 209213174 /nfs/dbraw/zinc/21/31/74/209213174.db2.gz DOACPULUEQQBJN-NVXDSCFRSA-N 0 0 395.458 4.635 50 0 GJAARN O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000098064848 212075995 /nfs/dbraw/zinc/07/59/95/212075995.db2.gz BRAGCJVOQQVNAL-SDNWHVSQSA-N 0 0 384.888 4.738 50 0 GJAARN O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nnsc1Br ZINC000001416791 212060889 /nfs/dbraw/zinc/06/08/89/212060889.db2.gz HVXNHDOPUCVEDK-UHFFFAOYSA-N 0 0 387.473 4.513 50 0 GJAARN Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(C)[C@@H](C)c2nccs2)c1 ZINC000299801383 212040303 /nfs/dbraw/zinc/04/03/03/212040303.db2.gz XHFUZCRZEYYFQX-LBPRGKRZSA-N 0 0 376.432 4.543 50 0 GJAARN CCOC(=O)c1csc(C(F)(F)c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000261494919 212031427 /nfs/dbraw/zinc/03/14/27/212031427.db2.gz SUZIHFOPXIHEBA-UHFFFAOYSA-N 0 0 386.729 4.527 50 0 GJAARN COc1cc(CN(C(=O)c2cccc(-c3cccc(C)n3)c2)C2CC2)ccc1O ZINC000299763842 212032917 /nfs/dbraw/zinc/03/29/17/212032917.db2.gz FLHRTXVTTHXSJS-UHFFFAOYSA-N 0 0 388.467 4.576 50 0 GJAARN CC(C)c1ccc(NC(=O)N(CCCn2ccnc2)Cc2cccnc2)cc1 ZINC000299759239 212031605 /nfs/dbraw/zinc/03/16/05/212031605.db2.gz CWVWMXYMALERAX-UHFFFAOYSA-N 0 0 377.492 4.526 50 0 GJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 ZINC000257347789 212028478 /nfs/dbraw/zinc/02/84/78/212028478.db2.gz UKIIXHVIHAJCMP-NICZXZAASA-N 0 0 388.548 4.735 50 0 GJAARN CC(C)c1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1 ZINC000000645720 203844095 /nfs/dbraw/zinc/84/40/95/203844095.db2.gz RTVLAZQWAHSVHJ-UHFFFAOYSA-N 0 0 399.493 4.932 50 0 GJAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000000644547 203844743 /nfs/dbraw/zinc/84/47/43/203844743.db2.gz HHUGCPCECLCZPG-HNNXBMFYSA-N 0 0 389.451 4.550 50 0 GJAARN CCOC(=O)c1c2cc(OCC(=O)N(CC)CC)ccc2oc1-c1ccccc1 ZINC000000639355 203844889 /nfs/dbraw/zinc/84/48/89/203844889.db2.gz WHZQZVBSJSUZBN-UHFFFAOYSA-N 0 0 395.455 4.524 50 0 GJAARN CCc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000648846 203845153 /nfs/dbraw/zinc/84/51/53/203845153.db2.gz WBFYYCAAEYZPBS-UHFFFAOYSA-N 0 0 383.542 4.863 50 0 GJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC45OCCO5)[C@H]3CC[C@H]2C1 ZINC000253499260 203815553 /nfs/dbraw/zinc/81/55/53/203815553.db2.gz DPBGWNOQXKBDCB-NWDASVTGSA-N 0 0 376.537 4.704 50 0 biogenic GJAARN CC[C@@H]1CCc2nc3sc(C(=O)N[C@H](C)c4ccccc4)c(N)c3cc2C1 ZINC000000661945 203846454 /nfs/dbraw/zinc/84/64/54/203846454.db2.gz RQKMXMOOFSCDLJ-ZIAGYGMSSA-N 0 0 379.529 4.884 50 0 GJAARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1Cl ZINC000001174033 203893530 /nfs/dbraw/zinc/89/35/30/203893530.db2.gz SREWKYYNLOOBQJ-UHFFFAOYSA-N 0 0 383.300 4.827 50 0 GJAARN COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc(OC)c1OC ZINC000001184231 203894083 /nfs/dbraw/zinc/89/40/83/203894083.db2.gz ZLJOJPWYGSIOSP-UHFFFAOYSA-N 0 0 398.484 4.705 50 0 GJAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 ZINC000000853822 203859541 /nfs/dbraw/zinc/85/95/41/203859541.db2.gz TVYZIKGAJRDPJC-OAHLLOKOSA-N 0 0 390.266 4.614 50 0 GJAARN COc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC ZINC000000878132 203861956 /nfs/dbraw/zinc/86/19/56/203861956.db2.gz QRVJMOYOVNMZBM-UHFFFAOYSA-N 0 0 388.876 4.657 50 0 GJAARN O=C(/C=C/c1ccccc1F)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000009499025 203862578 /nfs/dbraw/zinc/86/25/78/203862578.db2.gz RCIBXZBEGNGFRU-JXMROGBWSA-N 0 0 389.352 4.741 50 0 GJAARN CCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000000987730 203870345 /nfs/dbraw/zinc/87/03/45/203870345.db2.gz QDZYLDMYPSXBPD-UHFFFAOYSA-N 0 0 379.229 4.579 50 0 GJAARN NC(=O)c1c2c(sc1NC(=O)c1cccc3ccccc31)CCCCCC2 ZINC000000995993 203872000 /nfs/dbraw/zinc/87/20/00/203872000.db2.gz OYYBGWGBQMYUOB-UHFFFAOYSA-N 0 0 378.497 4.912 50 0 GJAARN O=S(=O)(c1cccs1)N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000001040160 203876316 /nfs/dbraw/zinc/87/63/16/203876316.db2.gz WVBDBZIDTJBZPW-UHFFFAOYSA-N 0 0 397.565 4.981 50 0 GJAARN O=S(=O)(NNc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000001047258 203877589 /nfs/dbraw/zinc/87/75/89/203877589.db2.gz 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ZINC000012914762 204465348 /nfs/dbraw/zinc/46/53/48/204465348.db2.gz JUJKBTNGKRKYPU-QGZVFWFLSA-N 0 0 376.456 4.764 50 0 GJAARN COc1cc(/C=C/C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC ZINC000012977033 204472912 /nfs/dbraw/zinc/47/29/12/204472912.db2.gz TWHHINMRERHSLR-AUECHBEKSA-N 0 0 395.455 4.691 50 0 GJAARN Cc1cc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)c3c(C)noc3n2)c(C)o1 ZINC000012814966 204454730 /nfs/dbraw/zinc/45/47/30/204454730.db2.gz RZMFCMLALNPEBT-LBPRGKRZSA-N 0 0 387.439 4.999 50 0 GJAARN Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000013122580 204483155 /nfs/dbraw/zinc/48/31/55/204483155.db2.gz LQQXZIJRHRFAGZ-VXKWHMMOSA-N 0 0 398.491 4.861 50 0 aggregator GJAARN CCOc1ccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)cc1 ZINC000013208378 204484680 /nfs/dbraw/zinc/48/46/80/204484680.db2.gz AXKKYQFDMDAIGJ-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)c1 ZINC000013714403 204507476 /nfs/dbraw/zinc/50/74/76/204507476.db2.gz BHWSGARGMXBVQL-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000013127206 204482748 /nfs/dbraw/zinc/48/27/48/204482748.db2.gz OOFJLPXTMMWITI-HXUWFJFHSA-N 0 0 393.468 4.642 50 0 aggregator GJAARN Cc1ccc(OCc2nc(CC(=O)NC34CC5CC(CC(C5)C3)C4)cs2)cc1 ZINC000014183711 204527194 /nfs/dbraw/zinc/52/71/94/204527194.db2.gz LXTXYNPFRWKWTO-UHFFFAOYSA-N 0 0 396.556 4.658 50 0 GJAARN COc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4C)cc3)C(=O)O2)cc1 ZINC000013896783 204517511 /nfs/dbraw/zinc/51/75/11/204517511.db2.gz MXRNMGJAKIZMCX-HAHDFKILSA-N 0 0 399.446 4.927 50 0 GJAARN Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c(C)o1 ZINC000015071152 204560530 /nfs/dbraw/zinc/56/05/30/204560530.db2.gz OLSXSSWDGZSPSN-KRWDZBQOSA-N 0 0 386.467 4.615 50 0 GJAARN CCOc1ccc([C@H](CNC(=O)CC(C)C)c2c[nH]c3ccccc32)cc1OC ZINC000015670781 204569551 /nfs/dbraw/zinc/56/95/51/204569551.db2.gz PNRVLUVFHLZKEB-IBGZPJMESA-N 0 0 394.515 4.869 50 0 GJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1Cc1ccc(C)cc1 ZINC000015680316 204571028 /nfs/dbraw/zinc/57/10/28/204571028.db2.gz VDYIURSFEXGHGP-UHFFFAOYSA-N 0 0 384.501 4.811 50 0 GJAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1 ZINC000015729458 204572594 /nfs/dbraw/zinc/57/25/94/204572594.db2.gz JNUPUFPFDGYTJR-UHFFFAOYSA-N 0 0 386.407 4.628 50 0 GJAARN Cc1ccc([C@@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1 ZINC000015839692 204580129 /nfs/dbraw/zinc/58/01/29/204580129.db2.gz XUVOAYATKDXEFT-LJQANCHMSA-N 0 0 381.273 4.672 50 0 GJAARN CCn1nc(SCC(C)C)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839474 204580393 /nfs/dbraw/zinc/58/03/93/204580393.db2.gz DKNHCQLXHWLDOQ-QFIPXVFZSA-N 0 0 396.560 4.550 50 0 GJAARN O=C(NC1CCCC1)[C@@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000015413593 204567554 /nfs/dbraw/zinc/56/75/54/204567554.db2.gz QIWUOSOCFHHRAL-WOOPDLCSSA-N 0 0 394.902 4.588 50 0 GJAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000018176582 204616741 /nfs/dbraw/zinc/61/67/41/204616741.db2.gz GXQNDFPTKKZIOC-UHFFFAOYSA-N 0 0 381.259 4.601 50 0 GJAARN CC[C@H](NC(=O)c1cc(C(F)(F)F)nn1CC)C12CC3CC(CC(C3)C1)C2 ZINC000017078299 204606449 /nfs/dbraw/zinc/60/64/49/204606449.db2.gz IXDBNQNWWWLLLX-QAQURRIXSA-N 0 0 383.458 4.647 50 0 GJAARN CCOc1ccc(N2CCn3c(SCc4cc(C)ccc4C)nnc32)cc1 ZINC000017307777 204610408 /nfs/dbraw/zinc/61/04/08/204610408.db2.gz NRSASXJMRQVIJR-UHFFFAOYSA-N 0 0 380.517 4.738 50 0 GJAARN CCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)c2ccccc12 ZINC000019943419 204695307 /nfs/dbraw/zinc/69/53/07/204695307.db2.gz QHRGGRZQBQBNMC-UHFFFAOYSA-N 0 0 394.496 4.914 50 0 GJAARN COc1ccc(F)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1OC ZINC000241837508 211973257 /nfs/dbraw/zinc/97/32/57/211973257.db2.gz SKSRBRRJWYXUSS-UHFFFAOYSA-N 0 0 392.839 4.872 50 0 GJAARN CO[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(F)c1 ZINC000096388253 211967759 /nfs/dbraw/zinc/96/77/59/211967759.db2.gz OGDQNXWMDSCBBC-NRFANRHFSA-N 0 0 377.415 4.567 50 0 GJAARN O=C(N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)c1cc2ccccc2oc1=O ZINC000096222141 211967179 /nfs/dbraw/zinc/96/71/79/211967179.db2.gz PPSSUHPKHVJOIQ-GOSISDBHSA-N 0 0 392.842 4.735 50 0 biogenic GJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CC)c3n2)cc1 ZINC000020605682 204731447 /nfs/dbraw/zinc/73/14/47/204731447.db2.gz YHJRNCMRUCKXIL-UHFFFAOYSA-N 0 0 379.407 4.722 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1F ZINC000021538834 204757704 /nfs/dbraw/zinc/75/77/04/204757704.db2.gz IZZKHVJXWBRWML-UHFFFAOYSA-N 0 0 396.491 4.508 50 0 GJAARN CC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000020898192 204743593 /nfs/dbraw/zinc/74/35/93/204743593.db2.gz PAOLZJOXIPFEKN-UHFFFAOYSA-N 0 0 383.835 4.554 50 0 GJAARN CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000020904316 204745175 /nfs/dbraw/zinc/74/51/75/204745175.db2.gz LBQIOLNHABRDNK-RTWAWAEBSA-N 0 0 398.572 4.847 50 0 GJAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)NCc1cccc(OC)c1 ZINC000021890247 204769611 /nfs/dbraw/zinc/76/96/11/204769611.db2.gz ITSUCHXSEQYVRT-HXUWFJFHSA-N 0 0 375.472 4.662 50 0 GJAARN COc1cccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)c1 ZINC000022061370 204773594 /nfs/dbraw/zinc/77/35/94/204773594.db2.gz BDOVRVNOIXTNJC-UHFFFAOYSA-N 0 0 378.497 4.954 50 0 GJAARN O=C(COC(=O)CCc1ccsc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000022155325 204774860 /nfs/dbraw/zinc/77/48/60/204774860.db2.gz XKDKZLYAJBQYCM-UHFFFAOYSA-N 0 0 391.798 4.535 50 0 GJAARN Cc1nc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)cc2nc1C ZINC000058394211 211949142 /nfs/dbraw/zinc/94/91/42/211949142.db2.gz NWAVHPHHOCLWJL-UHFFFAOYSA-N 0 0 388.393 4.584 50 0 GJAARN CCCCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000059252418 211948914 /nfs/dbraw/zinc/94/89/14/211948914.db2.gz YBBPHYSZYIPUCJ-UHFFFAOYSA-N 0 0 385.455 4.990 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1F)CO3 ZINC000058979807 211948959 /nfs/dbraw/zinc/94/89/59/211948959.db2.gz VBMCAJKJJZFFMR-UHFFFAOYSA-N 0 0 381.447 4.935 50 0 biogenic GJAARN CCN(C(=O)CSc1nccc(C(F)(F)F)n1)c1cccc2ccccc21 ZINC000022614336 204783899 /nfs/dbraw/zinc/78/38/99/204783899.db2.gz LGCOKCZTQVKSRR-UHFFFAOYSA-N 0 0 391.418 4.794 50 0 GJAARN CCCCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(CC)CC)cc1 ZINC000022639809 204785919 /nfs/dbraw/zinc/78/59/19/204785919.db2.gz SJFGLOJGQNYRKP-UHFFFAOYSA-N 0 0 399.535 4.825 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)c1 ZINC000022739776 204788343 /nfs/dbraw/zinc/78/83/43/204788343.db2.gz IUBOSGMSTBHURZ-UHFFFAOYSA-N 0 0 398.484 4.608 50 0 GJAARN O=C(NCc1cccs1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023441988 204807469 /nfs/dbraw/zinc/80/74/69/204807469.db2.gz BSQTVEBYLDTZCJ-UHFFFAOYSA-N 0 0 395.434 4.809 50 0 GJAARN COc1ccccc1[C@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000022990548 204795038 /nfs/dbraw/zinc/79/50/38/204795038.db2.gz PHTOAVBENUYXFF-LBPRGKRZSA-N 0 0 381.501 4.685 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1C ZINC000032817217 211942783 /nfs/dbraw/zinc/94/27/83/211942783.db2.gz JPIGUSULHVKGLR-UHFFFAOYSA-N 0 0 389.377 4.525 50 0 GJAARN COc1cccc2c1N(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CCC2 ZINC000026338951 204842091 /nfs/dbraw/zinc/84/20/91/204842091.db2.gz IVLMZOXFPSOJPM-UHFFFAOYSA-N 0 0 398.812 4.759 50 0 GJAARN Cc1cccnc1N(Cc1cccs1)C(=O)c1ccc(Br)o1 ZINC000027748877 204862044 /nfs/dbraw/zinc/86/20/44/204862044.db2.gz VZVGKZFGKNBTRO-UHFFFAOYSA-N 0 0 377.263 4.654 50 0 GJAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 ZINC000027990442 204864371 /nfs/dbraw/zinc/86/43/71/204864371.db2.gz NTINUEMIZMXSGE-SFHVURJKSA-N 0 0 394.540 4.862 50 0 GJAARN Cc1cc(C)cc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1 ZINC000027993906 204864479 /nfs/dbraw/zinc/86/44/79/204864479.db2.gz CNXSRUPZDMSHIO-QGZVFWFLSA-N 0 0 380.513 4.553 50 0 GJAARN Cc1nc2ccccc2nc1SCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000028191279 204867927 /nfs/dbraw/zinc/86/79/27/204867927.db2.gz JYRMHWCRISAIQB-HXUWFJFHSA-N 0 0 377.513 4.566 50 0 GJAARN COc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1 ZINC000028251687 204871009 /nfs/dbraw/zinc/87/10/09/204871009.db2.gz JTPRFYPBTVDPFG-UHFFFAOYSA-N 0 0 394.452 4.847 50 0 GJAARN Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2Cl)c2ccccn2)cc1 ZINC000028292155 204873114 /nfs/dbraw/zinc/87/31/14/204873114.db2.gz FRLKXFJTJJRBJB-UHFFFAOYSA-N 0 0 384.838 4.795 50 0 GJAARN CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000040160112 204890466 /nfs/dbraw/zinc/89/04/66/204890466.db2.gz VSABIJACBKFISK-FQEVSTJZSA-N 0 0 383.488 4.617 50 0 GJAARN Cc1csc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)n1 ZINC000040140203 204878938 /nfs/dbraw/zinc/87/89/38/204878938.db2.gz IVJNZICTJLCYSN-UHFFFAOYSA-N 0 0 393.262 4.638 50 0 GJAARN Cc1cccn2c(=O)cc(COc3ccccc3-c3nc4ccccc4s3)nc12 ZINC000032810204 204920504 /nfs/dbraw/zinc/92/05/04/204920504.db2.gz WFCPVGCBSRDKDK-UHFFFAOYSA-N 0 0 399.475 4.859 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)CCSc2ccccc2F)c(OC)c1 ZINC000032808855 204921219 /nfs/dbraw/zinc/92/12/19/204921219.db2.gz PNICDDDFHSSIMX-GOSISDBHSA-N 0 0 389.492 4.689 50 0 GJAARN C[C@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc21)c1nnc2ccccn21 ZINC000032806470 204921585 /nfs/dbraw/zinc/92/15/85/204921585.db2.gz CFENZMYOLNGLOA-LBPRGKRZSA-N 0 0 390.447 4.713 50 0 GJAARN Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1C(F)(F)F ZINC000032859874 204924746 /nfs/dbraw/zinc/92/47/46/204924746.db2.gz VXIULDRNUBLIEC-HNNXBMFYSA-N 0 0 379.378 4.824 50 0 GJAARN Cc1ccc(C=Cc2nn(CN(C)Cc3c(F)cccc3Cl)c(=S)[nH]2)o1 ZINC000032899376 204927659 /nfs/dbraw/zinc/92/76/59/204927659.db2.gz CWHNLTBMYVNCAW-CMDGGOBGSA-N 0 0 392.887 4.895 50 0 GJAARN COc1ccc(-c2csc(CCNC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000031848858 204905552 /nfs/dbraw/zinc/90/55/52/204905552.db2.gz IPGOCRPNKVCRSP-UHFFFAOYSA-N 0 0 387.892 4.836 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccnc1)CC(=O)N2 ZINC000031819876 204906012 /nfs/dbraw/zinc/90/60/12/204906012.db2.gz ZFTOYVFEQFUOHZ-CYBMUJFWSA-N 0 0 381.432 4.967 50 0 GJAARN Cc1nc(NC(=O)c2ccccc2)sc1-c1nc(-c2ccc(F)cc2)no1 ZINC000031812931 204906034 /nfs/dbraw/zinc/90/60/34/204906034.db2.gz ZDXZCOVHLOZOIG-UHFFFAOYSA-N 0 0 380.404 4.560 50 0 GJAARN CCc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000032578551 204912890 /nfs/dbraw/zinc/91/28/90/204912890.db2.gz ABNKQZUUDRYUFZ-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN COc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000033012662 204939526 /nfs/dbraw/zinc/93/95/26/204939526.db2.gz QQWHKKLXGRJZRE-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccccc1F ZINC000033012557 204940008 /nfs/dbraw/zinc/94/00/08/204940008.db2.gz ZIBNFSHFBUBEKB-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN Cc1ccc(C(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1 ZINC000033038129 204942768 /nfs/dbraw/zinc/94/27/68/204942768.db2.gz CLTDPAXUMVOCKC-UHFFFAOYSA-N 0 0 397.478 4.637 50 0 GJAARN Cc1cc(C)c2[nH]c(CSCC(=O)Nc3ccccc3Cl)cc(=O)c2c1 ZINC000033063687 204944197 /nfs/dbraw/zinc/94/41/97/204944197.db2.gz FNEJPNBTVWUOQP-UHFFFAOYSA-N 0 0 386.904 4.670 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000033129576 204948816 /nfs/dbraw/zinc/94/88/16/204948816.db2.gz VFSYGLPFEOMXFO-UHFFFAOYSA-N 0 0 383.407 4.859 50 0 GJAARN O=C(NCc1ccccc1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261221 204952764 /nfs/dbraw/zinc/95/27/64/204952764.db2.gz XYMYVWVCKGEVNA-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN Cn1cc([C@@H](CNC(=O)Nc2ccccc2F)c2cccnc2)c2ccccc21 ZINC000033267883 204953296 /nfs/dbraw/zinc/95/32/96/204953296.db2.gz RQENWPCLAXJYTL-SFHVURJKSA-N 0 0 388.446 4.666 50 0 GJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C ZINC000033290004 204956570 /nfs/dbraw/zinc/95/65/70/204956570.db2.gz WCCJQQPZCFQKQE-UHFFFAOYSA-N 0 0 392.571 4.699 50 0 GJAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)NCCc2ccccc2)cc1 ZINC000032950957 204932552 /nfs/dbraw/zinc/93/25/52/204932552.db2.gz UAKMMNUCRUMKHQ-UHFFFAOYSA-N 0 0 398.510 4.554 50 0 GJAARN COc1ccc(C(=O)c2sc(Nc3ccc(C(C)C)cc3)nc2N)cc1OC ZINC000032947616 204932707 /nfs/dbraw/zinc/93/27/07/204932707.db2.gz SSJXVFAZIWZFNT-UHFFFAOYSA-N 0 0 397.500 4.841 50 0 GJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)cc1 ZINC000032960245 204934436 /nfs/dbraw/zinc/93/44/36/204934436.db2.gz 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ZINC000056777832 205152310 /nfs/dbraw/zinc/15/23/10/205152310.db2.gz XDUZYMKCDBZFMM-CYBMUJFWSA-N 0 0 383.473 4.710 50 0 GJAARN O=C(Nc1cccc(COCc2ccco2)c1)c1c(Cl)nc2ccccn21 ZINC000057059905 205153567 /nfs/dbraw/zinc/15/35/67/205153567.db2.gz YIAFSSWFGPUVMB-UHFFFAOYSA-N 0 0 381.819 4.550 50 0 GJAARN Cc1oc2c(ccc3c2CN(CCCOC(C)C)CO3)c(=O)c1-c1ccccc1 ZINC000057165895 205154728 /nfs/dbraw/zinc/15/47/28/205154728.db2.gz QJZAVMNOAGWHBY-UHFFFAOYSA-N 0 0 393.483 4.735 50 0 biogenic GJAARN Cc1cc(/C=C\C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C)n1Cc1ccco1 ZINC000050632273 205131848 /nfs/dbraw/zinc/13/18/48/205131848.db2.gz BYJTYKVRSNUQOV-BLIJAFNYSA-N 0 0 388.471 4.513 50 0 GJAARN Cc1cc(C)c2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCCCC1 ZINC000063845540 205186934 /nfs/dbraw/zinc/18/69/34/205186934.db2.gz NIAJPQKKVPVTLK-UHFFFAOYSA-N 0 0 376.504 4.922 50 0 GJAARN Cc1nc(NC(=O)CCC(=O)c2ccc3c(c2)-c2ccccc2C3)sc1C ZINC000058168560 205166020 /nfs/dbraw/zinc/16/60/20/205166020.db2.gz AZYXJBDBCWWYBK-UHFFFAOYSA-N 0 0 376.481 4.933 50 0 GJAARN O=C(Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc1)c1ccco1 ZINC000058214234 205169197 /nfs/dbraw/zinc/16/91/97/205169197.db2.gz KODXUQKBBPYKQY-UHFFFAOYSA-N 0 0 398.422 4.923 50 0 GJAARN CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@H](C)C3)c2C)cn1 ZINC000063884282 205188208 /nfs/dbraw/zinc/18/82/08/205188208.db2.gz OFSPDXYADGEODR-INIZCTEOSA-N 0 0 376.504 4.607 50 0 GJAARN Cc1ccc(C)n1C1CCN(C(=O)c2cc3c(C)nn(CC(C)C)c3s2)CC1 ZINC000058432504 205175251 /nfs/dbraw/zinc/17/52/51/205175251.db2.gz RQERHOCJBKWOJL-UHFFFAOYSA-N 0 0 398.576 4.958 50 0 GJAARN Cc1cccc2c1C(=O)N[C@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)N2 ZINC000060523421 205182255 /nfs/dbraw/zinc/18/22/55/205182255.db2.gz JICLLNHDOMEGIT-MRXNPFEDSA-N 0 0 389.402 4.991 50 0 GJAARN CCc1ccc(CNC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)cc1 ZINC000064955803 205202638 /nfs/dbraw/zinc/20/26/38/205202638.db2.gz STEGTGJSLIQVPB-UHFFFAOYSA-N 0 0 399.494 4.586 50 0 biogenic GJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CCC4CCCC4)ccc32)c1 ZINC000064978291 205203262 /nfs/dbraw/zinc/20/32/62/205203262.db2.gz FADSXUAYMRWCQD-UHFFFAOYSA-N 0 0 390.527 4.785 50 0 GJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)c(C)c2)on1 ZINC000064979651 205205131 /nfs/dbraw/zinc/20/51/31/205205131.db2.gz HQRVDFSGMRQOIN-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NC4CCCCC4)cc3)ccc21 ZINC000065026929 205207244 /nfs/dbraw/zinc/20/72/44/205207244.db2.gz WBEHLQGYSWJNKU-UHFFFAOYSA-N 0 0 390.527 4.961 50 0 GJAARN CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CCCCCC4)cc3)ccc21 ZINC000065026905 205207460 /nfs/dbraw/zinc/20/74/60/205207460.db2.gz IACYUMVXZOUZER-UHFFFAOYSA-N 0 0 390.527 4.915 50 0 GJAARN CC1CCN(C(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)CC1 ZINC000065025547 205207538 /nfs/dbraw/zinc/20/75/38/205207538.db2.gz LVFPWRLVELYHAK-UHFFFAOYSA-N 0 0 378.520 4.760 50 0 GJAARN CCOc1ccc(OCC)c(Nc2cc(C(=O)OC)nc3ccc(F)cc32)c1 ZINC000065033618 205208706 /nfs/dbraw/zinc/20/87/06/205208706.db2.gz KDKOYKRGEGINLY-UHFFFAOYSA-N 0 0 384.407 4.702 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065084993 205209913 /nfs/dbraw/zinc/20/99/13/205209913.db2.gz VEXDXZVFYNPVQI-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN Cc1ccccc1Oc1nccnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000065111134 205210606 /nfs/dbraw/zinc/21/06/06/205210606.db2.gz GAUJJNVDHXVFBW-UHFFFAOYSA-N 0 0 385.876 4.962 50 0 GJAARN O=C(NCc1ccc(-c2noc(/C=C/c3ccccc3Cl)n2)s1)C1CC1 ZINC000065097042 205211094 /nfs/dbraw/zinc/21/10/94/205211094.db2.gz ITJHXIPOUWVLQK-JXMROGBWSA-N 0 0 385.876 4.648 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2cccc(F)c2)n1 ZINC000065114512 205211188 /nfs/dbraw/zinc/21/11/88/205211188.db2.gz DMGHAHWMQHWJDE-OAHLLOKOSA-N 0 0 378.451 4.836 50 0 GJAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)n2)c1 ZINC000065135368 205211302 /nfs/dbraw/zinc/21/13/02/205211302.db2.gz VIXJDSRAYXBADH-GOSISDBHSA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)cc1 ZINC000065136263 205211443 /nfs/dbraw/zinc/21/14/43/205211443.db2.gz FDHDZJWFKWZLCY-OAQYLSRUSA-N 0 0 393.531 4.644 50 0 GJAARN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2C)nc(-c2ccc(F)cc2)n1 ZINC000065133915 205211646 /nfs/dbraw/zinc/21/16/46/205211646.db2.gz OJGHDRGXYJJDKB-UHFFFAOYSA-N 0 0 385.826 4.570 50 0 GJAARN O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135755 205211821 /nfs/dbraw/zinc/21/18/21/205211821.db2.gz SXRZIIONXVGMKW-OAHLLOKOSA-N 0 0 397.400 4.581 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(-c4ccccc4)n3)C2)cc1F ZINC000065135287 205212298 /nfs/dbraw/zinc/21/22/98/205212298.db2.gz KTGMJIBNSNFCOW-LJQANCHMSA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000065133923 205212310 /nfs/dbraw/zinc/21/23/10/205212310.db2.gz FJENWEALVSZDMG-UHFFFAOYSA-N 0 0 381.863 4.740 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccc(F)cc4)n3)C2)s1 ZINC000065148270 205212567 /nfs/dbraw/zinc/21/25/67/205212567.db2.gz FBSSFVPPQGFSPO-OAHLLOKOSA-N 0 0 396.491 4.749 50 0 GJAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3C)C2)c1 ZINC000065136557 205212592 /nfs/dbraw/zinc/21/25/92/205212592.db2.gz FHXHXMUTRJKCKW-FQEVSTJZSA-N 0 0 393.531 4.644 50 0 GJAARN Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000065148186 205212660 /nfs/dbraw/zinc/21/26/60/205212660.db2.gz CHXWBWRQBALMBH-GOSISDBHSA-N 0 0 390.462 4.688 50 0 GJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NC1CCCCCC1 ZINC000065136380 205213398 /nfs/dbraw/zinc/21/33/98/205213398.db2.gz WQMONDORPBHEBR-KRWDZBQOSA-N 0 0 389.515 4.689 50 0 GJAARN CC(C)c1ccc(C(=O)N2CCc3nc(-c4ccc(F)cc4)ncc3C2)cc1 ZINC000065168658 205215018 /nfs/dbraw/zinc/21/50/18/205215018.db2.gz AYTVWFFQVBFRCQ-UHFFFAOYSA-N 0 0 375.447 4.605 50 0 GJAARN Nn1cc(-c2ccccc2)nc1SCc1coc(-c2ccccc2Cl)n1 ZINC000064361903 205188850 /nfs/dbraw/zinc/18/88/50/205188850.db2.gz MPYZSHLAEILEQZ-UHFFFAOYSA-N 0 0 382.876 4.865 50 0 GJAARN CC(C)Sc1nc2ccc(NS(=O)(=O)Cc3cccc(F)c3)cc2s1 ZINC000064747849 205193740 /nfs/dbraw/zinc/19/37/40/205193740.db2.gz QKACNOCYBSRHEC-UHFFFAOYSA-N 0 0 396.534 4.878 50 0 GJAARN O=C(C1CCCC1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747127 205194337 /nfs/dbraw/zinc/19/43/37/205194337.db2.gz JEUSFFZAGROCEV-OAHLLOKOSA-N 0 0 379.382 4.609 50 0 GJAARN Nc1c2cccnc2sc1-c1nnc(SCc2ccccc2)n1C1CC1 ZINC000064794043 205194782 /nfs/dbraw/zinc/19/47/82/205194782.db2.gz OXWVTTWWENXGPM-UHFFFAOYSA-N 0 0 379.514 4.764 50 0 GJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1C ZINC000065194787 205216732 /nfs/dbraw/zinc/21/67/32/205216732.db2.gz QRVZKOYIUOOOFJ-UHFFFAOYSA-N 0 0 382.439 4.509 50 0 GJAARN CCCN(C(=O)c1cc2c(c3ccccc3oc2=O)n1C)c1cccc(Cl)c1 ZINC000064838874 205196787 /nfs/dbraw/zinc/19/67/87/205196787.db2.gz UUPSJKNPSVCFEG-UHFFFAOYSA-N 0 0 394.858 4.995 50 0 GJAARN CCOc1ccc(CNC(=O)c2cc3c4c(ccc3Cl)O[C@@H](CC)Cn24)cc1 ZINC000064816641 205197364 /nfs/dbraw/zinc/19/73/64/205197364.db2.gz XNWZNQZVTFEOBF-HNNXBMFYSA-N 0 0 398.890 4.794 50 0 GJAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)NC2CCCCCCC2)on1 ZINC000064845360 205197567 /nfs/dbraw/zinc/19/75/67/205197567.db2.gz FFKUJSXDDVORTC-UHFFFAOYSA-N 0 0 382.551 4.720 50 0 GJAARN Cc1cccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000064858601 205198500 /nfs/dbraw/zinc/19/85/00/205198500.db2.gz CJPUQMHYUVTUMP-UHFFFAOYSA-N 0 0 385.511 4.960 50 0 biogenic GJAARN Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)n1 ZINC000065320629 205230049 /nfs/dbraw/zinc/23/00/49/205230049.db2.gz HYCCKGQWXQDRCZ-KRWDZBQOSA-N 0 0 384.386 4.692 50 0 GJAARN Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cc(F)ccc2F)n1 ZINC000065320620 205230208 /nfs/dbraw/zinc/23/02/08/205230208.db2.gz CURYPUOBNXSPPM-KRWDZBQOSA-N 0 0 384.386 4.692 50 0 GJAARN O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cnn(-c3ccc(F)cc3)c2N1 ZINC000065331498 205231219 /nfs/dbraw/zinc/23/12/19/205231219.db2.gz USAHBVWSBMYEIM-AWEZNQCLSA-N 0 0 375.325 4.504 50 0 GJAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)cc1 ZINC000065323298 205231223 /nfs/dbraw/zinc/23/12/23/205231223.db2.gz SWQYNIPPWRPZIA-UHFFFAOYSA-N 0 0 395.260 4.916 50 0 GJAARN Cc1sc(NC(=O)c2ccnc(F)c2)nc1-c1ccc(OC(F)F)cc1 ZINC000065513914 205236705 /nfs/dbraw/zinc/23/67/05/205236705.db2.gz MGPJKIBYYSERJB-UHFFFAOYSA-N 0 0 379.363 4.506 50 0 GJAARN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1snnc1C ZINC000065490173 205236774 /nfs/dbraw/zinc/23/67/74/205236774.db2.gz KDAPRHNVBQEHRK-UHFFFAOYSA-N 0 0 380.448 4.573 50 0 GJAARN Cc1ccc(F)cc1-c1c(-c2ccccc2)ncn1C[C@H]1CC(=O)N(C2CC2)C1 ZINC000065531306 205237210 /nfs/dbraw/zinc/23/72/10/205237210.db2.gz PZAWQWTZIZQCHM-QGZVFWFLSA-N 0 0 389.474 4.676 50 0 GJAARN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(Br)cc1F ZINC000065538178 205238183 /nfs/dbraw/zinc/23/81/83/205238183.db2.gz DFZLWEOZANBZEX-UHFFFAOYSA-N 0 0 394.631 4.680 50 0 GJAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1 ZINC000067258366 205242120 /nfs/dbraw/zinc/24/21/20/205242120.db2.gz ONKZMFUVZAWRTO-UHFFFAOYSA-N 0 0 387.508 4.749 50 0 GJAARN Cc1ccc(N2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)cc1 ZINC000067285169 205244234 /nfs/dbraw/zinc/24/42/34/205244234.db2.gz WYWXERCQIOBRHQ-UHFFFAOYSA-N 0 0 397.526 4.648 50 0 GJAARN COc1cccc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)c1 ZINC000065218803 205219355 /nfs/dbraw/zinc/21/93/55/205219355.db2.gz ITQCKJCLIXPLNL-UHFFFAOYSA-N 0 0 377.425 4.726 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)c2cccnc21 ZINC000065240882 205221189 /nfs/dbraw/zinc/22/11/89/205221189.db2.gz STATVUBWONFSHO-UHFFFAOYSA-N 0 0 380.448 4.880 50 0 GJAARN Cc1nc(-c2cccs2)sc1CNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000090592694 205274326 /nfs/dbraw/zinc/27/43/26/205274326.db2.gz VAHYTOYUHRXQOH-LBPRGKRZSA-N 0 0 392.933 4.917 50 0 GJAARN COc1cccc2c(C)cc(N3CCc4onc(-c5cccc(F)c5)c4C3)nc12 ZINC000067879941 205265875 /nfs/dbraw/zinc/26/58/75/205265875.db2.gz SJFAFVCDLYYXLP-UHFFFAOYSA-N 0 0 389.430 4.909 50 0 GJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C)c2C)nc1 ZINC000067294246 205245946 /nfs/dbraw/zinc/24/59/46/205245946.db2.gz BPFBBQILNUFNFO-LCUIJRPUSA-N 0 0 399.450 4.943 50 0 GJAARN COc1cccc(-n2nnc(-c3nc(-c4ccc(C)cc4C)cs3)c2C)c1 ZINC000067341704 205247485 /nfs/dbraw/zinc/24/74/85/205247485.db2.gz JJDRHCGSTNXQAU-UHFFFAOYSA-N 0 0 376.485 4.992 50 0 GJAARN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2ccccc2F)CCO3)s1 ZINC000067540954 205247896 /nfs/dbraw/zinc/24/78/96/205247896.db2.gz LGFUPJVMZSPTPA-UHFFFAOYSA-N 0 0 383.444 4.603 50 0 GJAARN CCc1[nH]c2c(cc(C)cc2CNc2ccc(C(=O)N3CCCC3)cn2)c1C ZINC000071735841 205286846 /nfs/dbraw/zinc/28/68/46/205286846.db2.gz YHOHDXOJASYWDR-UHFFFAOYSA-N 0 0 376.504 4.590 50 0 GJAARN Cc1c2cc(Cl)cc(CNC(=O)c3cncnc3C)c2[nH]c1-c1ccccc1 ZINC000071748542 205289009 /nfs/dbraw/zinc/28/90/09/205289009.db2.gz AFCUVDZPEHAVDG-UHFFFAOYSA-N 0 0 390.874 4.825 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000025803988 211820335 /nfs/dbraw/zinc/82/03/35/211820335.db2.gz YIJLWYNXJSZHOZ-UHFFFAOYSA-N 0 0 380.271 4.815 50 0 GJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000071837475 205298303 /nfs/dbraw/zinc/29/83/03/205298303.db2.gz RYQFYOSHJNBUPG-UHFFFAOYSA-N 0 0 379.796 4.544 50 0 GJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC[C@@H]1CCCCO1 ZINC000071894033 205299092 /nfs/dbraw/zinc/29/90/92/205299092.db2.gz ANPOSTQCNVUFHM-AVRDEDQJSA-N 0 0 394.515 4.808 50 0 GJAARN CCCc1ccc(-c2nc(NC(=O)c3c(C)nn4cccnc34)sc2C)cc1 ZINC000071940762 205299154 /nfs/dbraw/zinc/29/91/54/205299154.db2.gz ZDXWFAKNCACYQG-UHFFFAOYSA-N 0 0 391.500 4.674 50 0 GJAARN O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 ZINC000071886853 205299220 /nfs/dbraw/zinc/29/92/20/205299220.db2.gz DXSLSCHZWQCKOO-OALUTQOASA-N 0 0 387.401 4.830 50 0 GJAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c1 ZINC000072115901 205304917 /nfs/dbraw/zinc/30/49/17/205304917.db2.gz GTNMXCYYDGLHHE-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN Cc1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)cn1 ZINC000072035834 205303751 /nfs/dbraw/zinc/30/37/51/205303751.db2.gz MZRDXBUWUFHODU-UHFFFAOYSA-N 0 0 382.467 4.863 50 0 GJAARN Cc1ccsc1CN(C)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000069694788 205276438 /nfs/dbraw/zinc/27/64/38/205276438.db2.gz JXJMZWOCUAOOSH-UHFFFAOYSA-N 0 0 387.936 4.844 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCC2 ZINC000071280926 205279460 /nfs/dbraw/zinc/27/94/60/205279460.db2.gz NDEAFKKYHPLLBY-YLJYHZDGSA-N 0 0 391.515 4.679 50 0 GJAARN COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 ZINC000072328174 205326393 /nfs/dbraw/zinc/32/63/93/205326393.db2.gz PPPLARUNESEZSJ-UHFFFAOYSA-N 0 0 394.374 4.834 50 0 GJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(CC)cc2)cc1Cl ZINC000072329315 205326689 /nfs/dbraw/zinc/32/66/89/205326689.db2.gz BVGSMUPNZANRFT-UHFFFAOYSA-N 0 0 383.879 4.621 50 0 GJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000072139311 205309014 /nfs/dbraw/zinc/30/90/14/205309014.db2.gz YDPCVPBOKBLLIT-UHFFFAOYSA-N 0 0 376.464 4.547 50 0 GJAARN CCc1ccccc1NC(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 ZINC000072139265 205309532 /nfs/dbraw/zinc/30/95/32/205309532.db2.gz RURFAHTXHLEFME-UHFFFAOYSA-N 0 0 399.458 4.612 50 0 GJAARN Fc1cccc(CN2CCC[C@@]3(CCN(c4nc5ccccc5o4)C3)C2)c1F ZINC000072164640 205314736 /nfs/dbraw/zinc/31/47/36/205314736.db2.gz AGVKIXKFLYWSRF-JOCHJYFZSA-N 0 0 383.442 4.599 50 0 GJAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000072277163 205320085 /nfs/dbraw/zinc/32/00/85/205320085.db2.gz ONCNXNQDKIKQTR-MSOLQXFVSA-N 0 0 382.529 4.895 50 0 GJAARN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccncc1 ZINC000072284288 205320904 /nfs/dbraw/zinc/32/09/04/205320904.db2.gz WOEMSLUQXQTUHD-UHFFFAOYSA-N 0 0 379.426 4.609 50 0 GJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000025381771 211808833 /nfs/dbraw/zinc/80/88/33/211808833.db2.gz WDEVZDDCQPQCKJ-UHFFFAOYSA-N 0 0 377.341 4.507 50 0 GJAARN CC(C)c1c(C(=O)N[C@H](C)CCc2cccn2C)cnn1-c1cccc(Cl)c1 ZINC000078877606 205375137 /nfs/dbraw/zinc/37/51/37/205375137.db2.gz SUILDRJNYCTMDQ-MRXNPFEDSA-N 0 0 398.938 4.739 50 0 GJAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cc(F)c(F)c(F)c3)o2)n1 ZINC000079488503 205384479 /nfs/dbraw/zinc/38/44/79/205384479.db2.gz KDRWFFHUXXWONF-UHFFFAOYSA-N 0 0 393.390 4.648 50 0 GJAARN Cc1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2cccc(C)c2n1 ZINC000082155628 205389179 /nfs/dbraw/zinc/38/91/79/205389179.db2.gz OPHODJVQAWHMKT-UHFFFAOYSA-N 0 0 376.353 4.940 50 0 GJAARN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(Nc3ccccc3)C2=O)cc1 ZINC000085397591 205399974 /nfs/dbraw/zinc/39/99/74/205399974.db2.gz HXBNGPXREKCJPX-CJLVFECKSA-N 0 0 383.451 4.661 50 0 GJAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc(-c2c(F)cccc2F)co1 ZINC000095413776 205456133 /nfs/dbraw/zinc/45/61/33/205456133.db2.gz JISFWWXDLIIMJZ-UHFFFAOYSA-N 0 0 393.393 4.966 50 0 GJAARN C[C@H](Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21)C(C)(C)O ZINC000058162247 211780170 /nfs/dbraw/zinc/78/01/70/211780170.db2.gz AYICTJHQZIQKPO-AWEZNQCLSA-N 0 0 390.512 4.992 50 0 GJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1nc2cc(F)c(F)cc2s1 ZINC000058157354 211777281 /nfs/dbraw/zinc/77/72/81/211777281.db2.gz VSRXVEHEVBWUDB-UHFFFAOYSA-N 0 0 393.465 4.941 50 0 GJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccccc1F)NCCc1ccccn1 ZINC000096276822 205553534 /nfs/dbraw/zinc/55/35/34/205553534.db2.gz PUCRPLSZQVGZNJ-HXUWFJFHSA-N 0 0 387.458 4.583 50 0 GJAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)(C)C)C3CCCCC3)n2)cc1 ZINC000096291905 205557661 /nfs/dbraw/zinc/55/76/61/205557661.db2.gz UFVIDNLGSZHNBT-UHFFFAOYSA-N 0 0 399.535 4.885 50 0 GJAARN Cc1csc(COc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 ZINC000056907699 211769970 /nfs/dbraw/zinc/76/99/70/211769970.db2.gz IFPQXDITGNMURC-INIZCTEOSA-N 0 0 380.513 4.782 50 0 GJAARN CCSc1nc2ccc(NC(=O)N[C@@H](c3cc(C)ccn3)C3CC3)cc2o1 ZINC000097568878 205592400 /nfs/dbraw/zinc/59/24/00/205592400.db2.gz ZCWHKTLYQRLAIS-GOSISDBHSA-N 0 0 382.489 4.916 50 0 GJAARN Cc1cc(C)cc(C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]2C)c1 ZINC000100168570 205606614 /nfs/dbraw/zinc/60/66/14/205606614.db2.gz SOUKHRYZCIPMDY-KSSFIOAISA-N 0 0 391.389 4.570 50 0 GJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000022192649 211757913 /nfs/dbraw/zinc/75/79/13/211757913.db2.gz IYVQODPCTNZUHJ-UHFFFAOYSA-N 0 0 387.361 4.512 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000044224979 205663334 /nfs/dbraw/zinc/66/33/34/205663334.db2.gz CIUUPSWGQAURJV-UHFFFAOYSA-N 0 0 398.821 4.749 50 0 GJAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccc(Br)cc1 ZINC000000829690 205697010 /nfs/dbraw/zinc/69/70/10/205697010.db2.gz ACWNSCFYNVDKPT-LHHJGKSTSA-N 0 0 398.590 4.725 50 0 GJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1cccc(Cl)c1 ZINC000000845493 205697824 /nfs/dbraw/zinc/69/78/24/205697824.db2.gz PVYYEFAQMDQUJL-LJQANCHMSA-N 0 0 389.929 4.930 50 0 GJAARN CC(=O)n1nc(C)c2c1nc1ccc(Br)cc1c2-c1ccccc1 ZINC000000842134 205697907 /nfs/dbraw/zinc/69/79/07/205697907.db2.gz UGMJOSKGJFNLJO-UHFFFAOYSA-N 0 0 380.245 4.983 50 0 GJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)OCc1ccccc1 ZINC000000828202 205698477 /nfs/dbraw/zinc/69/84/77/205698477.db2.gz GCRTZBZONQNQNP-UHFFFAOYSA-N 0 0 395.267 4.879 50 0 GJAARN CCOc1cccc2sc(NC(=O)c3cccc(Br)c3)nc21 ZINC000001514773 205713956 /nfs/dbraw/zinc/71/39/56/205713956.db2.gz IIZDBVMQWLCXOZ-UHFFFAOYSA-N 0 0 377.263 4.710 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)c1 ZINC000002641618 205720559 /nfs/dbraw/zinc/72/05/59/205720559.db2.gz NEZITCHQXPUZNO-UHFFFAOYSA-N 0 0 377.853 4.883 50 0 GJAARN CSc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1 ZINC000004360839 205745225 /nfs/dbraw/zinc/74/52/25/205745225.db2.gz DPWIATBQJFNSQJ-UHFFFAOYSA-N 0 0 393.464 4.577 50 0 GJAARN CCOc1c(Br)cc(C(=O)Nc2cc(C)ccc2C)cc1OC ZINC000007599205 205788087 /nfs/dbraw/zinc/78/80/87/205788087.db2.gz QWNHNEOFZUGHSA-UHFFFAOYSA-N 0 0 378.266 4.726 50 0 GJAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000005484984 205768293 /nfs/dbraw/zinc/76/82/93/205768293.db2.gz NXTITHMSUBMOCT-INIZCTEOSA-N 0 0 387.451 4.969 50 0 GJAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O ZINC000005472373 205769493 /nfs/dbraw/zinc/76/94/93/205769493.db2.gz XVCVENWFHWBJBJ-SFHVURJKSA-N 0 0 395.311 4.553 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccs3)n2)cc1 ZINC000005636003 205771118 /nfs/dbraw/zinc/77/11/18/205771118.db2.gz YSLMMZXIJXFMKH-LBPRGKRZSA-N 0 0 386.498 4.618 50 0 GJAARN COc1ccc2c(CSc3nccn3-c3cccc(Cl)c3)cc(=O)oc2c1 ZINC000021422258 211741910 /nfs/dbraw/zinc/74/19/10/211741910.db2.gz YLSUCWQDRDEVIK-UHFFFAOYSA-N 0 0 398.871 4.933 50 0 GJAARN CCN(CC)c1ccc(-c2nnc(SCCC(C)=O)n2-c2ccccc2)cc1 ZINC000008392868 205795336 /nfs/dbraw/zinc/79/53/36/205795336.db2.gz FANQYXUAAUOACT-UHFFFAOYSA-N 0 0 394.544 4.852 50 0 GJAARN COCCn1c2ccccc2nc1S[C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000008134563 205791027 /nfs/dbraw/zinc/79/10/27/205791027.db2.gz OCYSMCUZFUSDEF-CQSZACIVSA-N 0 0 379.485 4.528 50 0 GJAARN O=C(c1ccc2ncsc2c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008086304 205791775 /nfs/dbraw/zinc/79/17/75/205791775.db2.gz CAYCYNFBNXBNDB-UHFFFAOYSA-N 0 0 379.510 4.926 50 0 GJAARN Cc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 ZINC000007976683 205823194 /nfs/dbraw/zinc/82/31/94/205823194.db2.gz DQWKJCABBSNBBQ-UHFFFAOYSA-N 0 0 387.199 4.827 50 0 GJAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000170629862 205858309 /nfs/dbraw/zinc/85/83/09/205858309.db2.gz JKQYSTLYOSLWLP-UHFFFAOYSA-N 0 0 383.376 4.936 50 0 GJAARN C[C@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@@H]1c1ccccc1 ZINC000170643664 205859072 /nfs/dbraw/zinc/85/90/72/205859072.db2.gz UAMDNSIJCZJCRZ-LRDDRELGSA-N 0 0 387.361 4.589 50 0 GJAARN Cc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(-c2ccc(Cl)cc2)n1 ZINC000169752823 205833916 /nfs/dbraw/zinc/83/39/16/205833916.db2.gz OKIRQHLPKJIXRG-UHFFFAOYSA-N 0 0 395.890 4.634 50 0 GJAARN COc1ccc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012914454 205883018 /nfs/dbraw/zinc/88/30/18/205883018.db2.gz MWYHCNYTGKBJFN-KRWDZBQOSA-N 0 0 394.696 4.992 50 0 GJAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000012441135 205874849 /nfs/dbraw/zinc/87/48/49/205874849.db2.gz AGQBWWHPMJHJAF-UHFFFAOYSA-N 0 0 395.890 4.599 50 0 GJAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000015302642 205900182 /nfs/dbraw/zinc/90/01/82/205900182.db2.gz WRDNTSUWDJMDTF-UHFFFAOYSA-N 0 0 390.483 4.930 50 0 GJAARN Cc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)c(C)c1 ZINC000017026049 205909719 /nfs/dbraw/zinc/90/97/19/205909719.db2.gz OMGJRWLMNIVSGD-LUAWRHEFSA-N 0 0 375.497 4.888 50 0 GJAARN CC[C@@H](Sc1nnc(-c2ccco2)n1C(C)C)C(=O)Nc1ccccc1F ZINC000013956573 205892685 /nfs/dbraw/zinc/89/26/85/205892685.db2.gz JIHIACLSNSDRAP-MRXNPFEDSA-N 0 0 388.468 4.768 50 0 GJAARN CCCCc1cc(=O)oc2c1ccc1c2CN(CCc2cccc(F)c2)CO1 ZINC000020610313 205925847 /nfs/dbraw/zinc/92/58/47/205925847.db2.gz PXXBRRZKDHUMBR-UHFFFAOYSA-N 0 0 381.447 4.669 50 0 biogenic GJAARN Cc1nc(-c2cccc(NC(=O)c3cccc(Oc4ncccn4)c3)c2)cs1 ZINC000056907126 205956448 /nfs/dbraw/zinc/95/64/48/205956448.db2.gz FACUOXRDOLNKDN-UHFFFAOYSA-N 0 0 388.452 4.953 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000027161400 206010340 /nfs/dbraw/zinc/01/03/40/206010340.db2.gz NHRCMIONRSJALN-HXUWFJFHSA-N 0 0 381.472 4.500 50 0 GJAARN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1ccc(-n2cccn2)cc1 ZINC000225519522 206055630 /nfs/dbraw/zinc/05/56/30/206055630.db2.gz NPQZZLDIZWVGEH-LJQANCHMSA-N 0 0 388.515 4.807 50 0 GJAARN COc1ccc(CN(C(=O)Cc2csc(-c3cccc(C)c3)n2)C2CC2)cc1 ZINC000014067742 211704160 /nfs/dbraw/zinc/70/41/60/211704160.db2.gz PYISXARGMJPTAC-UHFFFAOYSA-N 0 0 392.524 4.861 50 0 GJAARN O=C(NC[C@H](O)c1csc2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000225693664 206067162 /nfs/dbraw/zinc/06/71/62/206067162.db2.gz RGDVLHHMGJUPIP-NRFANRHFSA-N 0 0 387.504 4.883 50 0 GJAARN O=C(NC[C@H](O)c1csc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000225699394 206068044 /nfs/dbraw/zinc/06/80/44/206068044.db2.gz AYBVWMNRVTWXAW-HNNXBMFYSA-N 0 0 380.391 4.775 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 ZINC000032610698 206090935 /nfs/dbraw/zinc/09/09/35/206090935.db2.gz DVCAEMCVUBLZOF-UHFFFAOYSA-N 0 0 391.377 4.863 50 0 GJAARN CC(=O)NCCc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000030316724 206072665 /nfs/dbraw/zinc/07/26/65/206072665.db2.gz VJHQWZZSBGSWEB-CYBMUJFWSA-N 0 0 393.314 4.505 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)/C=C/c1cccs1 ZINC000032525142 206090867 /nfs/dbraw/zinc/09/08/67/206090867.db2.gz LXWCIXRAIGXDTK-ZHACJKMWSA-N 0 0 399.947 4.935 50 0 GJAARN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000032912071 206097227 /nfs/dbraw/zinc/09/72/27/206097227.db2.gz LDMOHAGCNFOEHS-MRXNPFEDSA-N 0 0 384.932 4.949 50 0 GJAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)C(C)C ZINC000032975850 206097796 /nfs/dbraw/zinc/09/77/96/206097796.db2.gz MWQDHRROEYNJMN-IBGZPJMESA-N 0 0 393.512 4.512 50 0 GJAARN COc1cccc(NC(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c1 ZINC000060358474 206102471 /nfs/dbraw/zinc/10/24/71/206102471.db2.gz NUPOBJCOLCJFOL-IBGZPJMESA-N 0 0 398.503 4.732 50 0 GJAARN CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@H]1C)OCO3 ZINC000229876656 206108953 /nfs/dbraw/zinc/10/89/53/206108953.db2.gz LPWYMVXRDVBDOS-NAKSJZFLSA-N 0 0 395.499 4.786 50 0 GJAARN CCc1ccc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCC3)cc1 ZINC000064450018 206106598 /nfs/dbraw/zinc/10/65/98/206106598.db2.gz MDTPIUVHRXDPRD-UHFFFAOYSA-N 0 0 383.499 4.818 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000032936643 206095072 /nfs/dbraw/zinc/09/50/72/206095072.db2.gz IJDBDGOBBFCPNZ-UWJYYQICSA-N 0 0 379.431 4.530 50 0 GJAARN O=C(Nc1c(F)cccc1F)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000096097355 206114967 /nfs/dbraw/zinc/11/49/67/206114967.db2.gz UIBQKICEVGZJCK-HNNXBMFYSA-N 0 0 387.213 4.877 50 0 GJAARN O=C1C[C@@H](c2cccs2)c2c(cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096114741 206117310 /nfs/dbraw/zinc/11/73/10/206117310.db2.gz VCODUROSUJGUJD-ZDUSSCGKSA-N 0 0 390.416 4.668 50 0 biogenic GJAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccccc1)CC(=O)O2 ZINC000096116337 206117412 /nfs/dbraw/zinc/11/74/12/206117412.db2.gz HAKUYWJTGHOQGG-KRWDZBQOSA-N 0 0 398.414 4.910 50 0 biogenic GJAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1ccccc1)CC(=O)O2 ZINC000096116338 206117801 /nfs/dbraw/zinc/11/78/01/206117801.db2.gz HAKUYWJTGHOQGG-QGZVFWFLSA-N 0 0 398.414 4.910 50 0 biogenic GJAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1ccco1)CC(=O)O2 ZINC000096116257 206118005 /nfs/dbraw/zinc/11/80/05/206118005.db2.gz SXCMGMPJSXEJFO-CQSZACIVSA-N 0 0 388.375 4.503 50 0 biogenic GJAARN O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000096120225 206119392 /nfs/dbraw/zinc/11/93/92/206119392.db2.gz NENZMVLRAQZUCQ-UHFFFAOYSA-N 0 0 391.433 4.503 50 0 GJAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1OC(F)F ZINC000012785197 211688341 /nfs/dbraw/zinc/68/83/41/211688341.db2.gz OTOGLQOESKBAIX-UHFFFAOYSA-N 0 0 380.441 4.711 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)nc(C)n1 ZINC000012225822 211680480 /nfs/dbraw/zinc/68/04/80/211680480.db2.gz VDRQRFRCZGYTSC-UHFFFAOYSA-N 0 0 399.401 4.850 50 0 GJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 ZINC000257347788 206183307 /nfs/dbraw/zinc/18/33/07/206183307.db2.gz UKIIXHVIHAJCMP-AXXTZCLVSA-N 0 0 388.548 4.735 50 0 GJAARN FC(F)Oc1c(Br)cc(OC(F)(F)F)cc1Br ZINC000263624479 206185106 /nfs/dbraw/zinc/18/51/06/206185106.db2.gz QWJHLSRRTFQIFT-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2cccc(-c3cn(C(F)F)nc3C)c2)s1 ZINC000299770413 206188094 /nfs/dbraw/zinc/18/80/94/206188094.db2.gz SFPRIPXQOZMMFU-UHFFFAOYSA-N 0 0 375.444 4.896 50 0 GJAARN Cc1cc2n(n1)CCCN(C(=O)Nc1ccc(SCc3ccco3)cc1)C2 ZINC000299789852 206192196 /nfs/dbraw/zinc/19/21/96/206192196.db2.gz BCJJMLLSUMFDLX-UHFFFAOYSA-N 0 0 382.489 4.515 50 0 GJAARN Cc1nn(C(F)F)cc1-c1cccc(C(=O)N(C)[C@H](C)c2nccs2)c1 ZINC000299801382 206193178 /nfs/dbraw/zinc/19/31/78/206193178.db2.gz XHFUZCRZEYYFQX-GFCCVEGCSA-N 0 0 376.432 4.543 50 0 GJAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000001151561 206212826 /nfs/dbraw/zinc/21/28/26/206212826.db2.gz VQKNUSSWOSOLBV-UHFFFAOYSA-N 0 0 388.044 4.796 50 0 GJAARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 ZINC000006478258 211625294 /nfs/dbraw/zinc/62/52/94/211625294.db2.gz ICQUGBYQMSYVRK-UHFFFAOYSA-N 0 0 391.500 4.845 50 0 GJAARN CN(C(=O)C1CCCCCC1)[C@H]1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000161663708 211610931 /nfs/dbraw/zinc/61/09/31/211610931.db2.gz SUCDDXVIOFQGIZ-NRFANRHFSA-N 0 0 376.585 4.767 50 0 GJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000007478960 211587278 /nfs/dbraw/zinc/58/72/78/211587278.db2.gz ZTTJONUZQHOAEL-UHFFFAOYSA-N 0 0 395.267 4.589 50 0 GJAARN COc1ccc(-c2nc(C(=O)NCc3ccco3)cc3c4ccccc4[nH]c32)cc1 ZINC000005908214 211573285 /nfs/dbraw/zinc/57/32/85/211573285.db2.gz XEFRRPJGIWCERP-UHFFFAOYSA-N 0 0 397.434 4.915 50 0 biogenic GJAARN COc1ccc(/C=C\C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 ZINC000005825607 211569845 /nfs/dbraw/zinc/56/98/45/211569845.db2.gz LOIGKRVKJJWXRW-RAXLEYEMSA-N 0 0 399.512 4.853 50 0 GJAARN CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(Br)cc3)c(O)cc21 ZINC000004424917 211546141 /nfs/dbraw/zinc/54/61/41/211546141.db2.gz CVGJHRDYNJJHQS-UHFFFAOYSA-N 0 0 388.261 4.799 50 0 GJAARN CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(C(C)C)s1 ZINC000004174617 211535518 /nfs/dbraw/zinc/53/55/18/211535518.db2.gz DMOFZVWYTPCGNR-NSHDSACASA-N 0 0 378.548 4.781 50 0 GJAARN Cc1ccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1F ZINC000003266311 211521039 /nfs/dbraw/zinc/52/10/39/211521039.db2.gz OGINTEQRAQAWKT-UHFFFAOYSA-N 0 0 390.625 4.890 50 0 GJAARN CC[C@H](C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1 ZINC000003008151 211517974 /nfs/dbraw/zinc/51/79/74/211517974.db2.gz JCLBVOSRYNTGEJ-KRWDZBQOSA-N 0 0 381.476 4.891 50 0 GJAARN CCCCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003376619 211523942 /nfs/dbraw/zinc/52/39/42/211523942.db2.gz CMKMHAJPBBKDAZ-UHFFFAOYSA-N 0 0 396.874 4.628 50 0 GJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1 ZINC000003408212 211523730 /nfs/dbraw/zinc/52/37/30/211523730.db2.gz XGKMQZHJVXSITD-UHFFFAOYSA-N 0 0 394.373 4.544 50 0 GJAARN CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccccc1 ZINC000049030290 211458882 /nfs/dbraw/zinc/45/88/82/211458882.db2.gz ABVZGMOLMDJQEB-VQTJNVASSA-N 0 0 392.499 4.596 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]1CCCC1=N2 ZINC000101946399 211406951 /nfs/dbraw/zinc/40/69/51/211406951.db2.gz DPPYFMLPIDTIAN-KRWDZBQOSA-N 0 0 395.890 4.815 50 0 GJAARN COc1cc(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000101015096 211394686 /nfs/dbraw/zinc/39/46/86/211394686.db2.gz MTXMJVMXHPUSHP-IBGZPJMESA-N 0 0 389.451 4.717 50 0 GJAARN COc1ccc(-c2nc(/C=C\C(=O)NCc3cccc(Cl)c3)cs2)cc1 ZINC000096925593 211352291 /nfs/dbraw/zinc/35/22/91/211352291.db2.gz BUJNIBNQLMDMDE-YFHOEESVSA-N 0 0 384.888 4.802 50 0 GJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C\c1ccc(SC)cc1 ZINC000096578634 211345386 /nfs/dbraw/zinc/34/53/86/211345386.db2.gz QIZJJGRWNMNXIZ-FLIBITNWSA-N 0 0 399.541 4.972 50 0 GJAARN O=C(/C=C\c1ccc(Br)s1)Nc1nc(-c2ccccn2)cs1 ZINC000096595974 211344435 /nfs/dbraw/zinc/34/44/35/211344435.db2.gz AEVXRBCMUQQLAD-ALCCZGGFSA-N 0 0 392.303 4.681 50 0 GJAARN CCn1c(-c2cc(NC(=O)c3ccc(C)c(F)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398612 211340911 /nfs/dbraw/zinc/34/09/11/211340911.db2.gz HGNCZJMDXGKXSP-UHFFFAOYSA-N 0 0 392.434 4.760 50 0 GJAARN CSc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3cccc4nccnc43)C2)cc1 ZINC000097105907 211358533 /nfs/dbraw/zinc/35/85/33/211358533.db2.gz QMMGOFZZBJNHDU-FQEVSTJZSA-N 0 0 390.512 4.685 50 0 GJAARN CCOC(=O)c1c(=O)[nH]c2c(Cl)cccc2c1NCc1ccccc1Cl ZINC000096355841 211335706 /nfs/dbraw/zinc/33/57/06/211335706.db2.gz ROTCLBBPKMPDTK-UHFFFAOYSA-N 0 0 391.254 4.624 50 0 GJAARN CCc1nc(-c2ccc(-c3noc(-c4n[nH]c5c4CCCC5)n3)cc2)cs1 ZINC000096326326 211335302 /nfs/dbraw/zinc/33/53/02/211335302.db2.gz IAAVPWXTUMFNHF-UHFFFAOYSA-N 0 0 377.473 4.691 50 0 GJAARN CCCCN(C)C(=O)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000096327402 211335022 /nfs/dbraw/zinc/33/50/22/211335022.db2.gz MYQZWALPPPSIGG-UHFFFAOYSA-N 0 0 379.435 4.947 50 0 GJAARN Cc1noc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)s2)c1C ZINC000096323568 211334829 /nfs/dbraw/zinc/33/48/29/211334829.db2.gz OGSOJCBSSSFSSB-UHFFFAOYSA-N 0 0 380.466 4.577 50 0 GJAARN O=C(CCc1ccncc1)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000096318430 211332558 /nfs/dbraw/zinc/33/25/58/211332558.db2.gz NCBKISAYWHVXMI-UHFFFAOYSA-N 0 0 386.430 4.645 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(OC)cc2)no1 ZINC000096293282 211330891 /nfs/dbraw/zinc/33/08/91/211330891.db2.gz UZMLXKPEHXWVKV-IERDGZPVSA-N 0 0 393.487 4.581 50 0 GJAARN CCCn1c(C(=O)NCc2ccc(F)cc2)cc2scc(Br)c21 ZINC000096280437 211330420 /nfs/dbraw/zinc/33/04/20/211330420.db2.gz RMCMMYLLANUGNV-UHFFFAOYSA-N 0 0 395.297 4.944 50 0 GJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1 ZINC000096276240 211329790 /nfs/dbraw/zinc/32/97/90/211329790.db2.gz AQKJGRJVBUYOHD-CYBMUJFWSA-N 0 0 389.908 4.935 50 0 GJAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(F)c1 ZINC000096280368 211329670 /nfs/dbraw/zinc/32/96/70/211329670.db2.gz SRGKQOKWGPUOJO-UHFFFAOYSA-N 0 0 395.297 4.793 50 0 GJAARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096278327 211329229 /nfs/dbraw/zinc/32/92/29/211329229.db2.gz HJPVJDVSFBREDY-DYESRHJHSA-N 0 0 377.488 4.881 50 0 GJAARN Cc1oc(-c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)nc1Cn1cccn1 ZINC000096397205 211339239 /nfs/dbraw/zinc/33/92/39/211339239.db2.gz OWKFIDHSSINXHO-UHFFFAOYSA-N 0 0 386.455 4.764 50 0 GJAARN COc1ccccc1NC(=O)N1CCC(c2cc(-c3cccc(C)c3)n[nH]2)CC1 ZINC000096386779 211337853 /nfs/dbraw/zinc/33/78/53/211337853.db2.gz NHMJTDCXBLDPFD-UHFFFAOYSA-N 0 0 390.487 4.805 50 0 GJAARN O=C(CCc1conc1-c1cccc(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000096386697 211337487 /nfs/dbraw/zinc/33/74/87/211337487.db2.gz LNCKCXNFBHTMNH-UHFFFAOYSA-N 0 0 392.474 4.895 50 0 GJAARN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c(C)s2)n[nH]1 ZINC000096341456 211336840 /nfs/dbraw/zinc/33/68/40/211336840.db2.gz GZTRRHODRQSXSC-UHFFFAOYSA-N 0 0 375.519 4.679 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2Cl)S1 ZINC000096116842 211302124 /nfs/dbraw/zinc/30/21/24/211302124.db2.gz VCZGQXWNGDKBLT-LRDDRELGSA-N 0 0 391.924 4.846 50 0 GJAARN Cc1noc(-c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(Cl)c2)n1 ZINC000096005693 211292457 /nfs/dbraw/zinc/29/24/57/211292457.db2.gz KZNMHRRBJGIOLU-UHFFFAOYSA-N 0 0 391.880 4.623 50 0 GJAARN Cc1c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cnn1CC(C)C ZINC000095980915 211291137 /nfs/dbraw/zinc/29/11/37/211291137.db2.gz NEJZFXDZGYJSNG-UHFFFAOYSA-N 0 0 398.894 4.727 50 0 GJAARN Cc1c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)sc2nccn12 ZINC000095978941 211290460 /nfs/dbraw/zinc/29/04/60/211290460.db2.gz PACDSLAVXWGKGA-UHFFFAOYSA-N 0 0 398.875 4.584 50 0 GJAARN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1CCC(c2ccccc2)CC1 ZINC000095963128 211289152 /nfs/dbraw/zinc/28/91/52/211289152.db2.gz JGUATIQFKBNMIC-XBXZGVGYSA-N 0 0 383.557 4.917 50 0 GJAARN CCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccc(-c3ccc(C)cc3)o2)C1 ZINC000095510198 211259450 /nfs/dbraw/zinc/25/94/50/211259450.db2.gz GIMOAXLTZIKQQC-FQEVSTJZSA-N 0 0 391.515 4.810 50 0 GJAARN CC(C)n1ccc2c1cccc2C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095473087 211247425 /nfs/dbraw/zinc/24/74/25/211247425.db2.gz LYHFIIHFMRAEFT-UHFFFAOYSA-N 0 0 396.918 4.999 50 0 GJAARN COc1ccc(-c2coc3cc(OCc4csc(C)n4)ccc3c2=O)cc1 ZINC000095457396 211242080 /nfs/dbraw/zinc/24/20/80/211242080.db2.gz DVKSGFRMUDTPCS-UHFFFAOYSA-N 0 0 379.437 4.813 50 0 GJAARN CCc1ncc(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)cn1 ZINC000095357095 211221627 /nfs/dbraw/zinc/22/16/27/211221627.db2.gz RTQUIUKJCIPHHM-UHFFFAOYSA-N 0 0 376.504 4.538 50 0 GJAARN Cc1oc(-c2ccccc2)nc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000095348714 211220161 /nfs/dbraw/zinc/22/01/61/211220161.db2.gz RGXXQTMCLZSIPA-UHFFFAOYSA-N 0 0 386.238 4.715 50 0 GJAARN Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2Cc2nnc3ccccn32)c1 ZINC000091550566 211196077 /nfs/dbraw/zinc/19/60/77/211196077.db2.gz HKDGHCVJVKZYPV-UHFFFAOYSA-N 0 0 383.430 4.756 50 0 GJAARN O=C(Nc1ccccc1OC(F)(F)F)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000089826098 211185589 /nfs/dbraw/zinc/18/55/89/211185589.db2.gz DEBMEJCBEKGVFW-GOSISDBHSA-N 0 0 394.393 4.563 50 0 GJAARN CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c1 ZINC000089905237 211184927 /nfs/dbraw/zinc/18/49/27/211184927.db2.gz UECPKRVVCLUCDU-OXJNMPFZSA-N 0 0 382.504 4.626 50 0 GJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc(C)cc2)C(=O)c2ccco2)c1C ZINC000085711093 211177997 /nfs/dbraw/zinc/17/79/97/211177997.db2.gz JJNJBZZFCYYDKP-UHFFFAOYSA-N 0 0 394.471 4.552 50 0 GJAARN COc1ccc(NC(=O)c2sc(COc3ccc(C)c(C)c3)nc2C)cc1 ZINC000086056779 211177588 /nfs/dbraw/zinc/17/75/88/211177588.db2.gz HGNYASQFURBVBI-UHFFFAOYSA-N 0 0 382.485 4.908 50 0 GJAARN CCCNC(=O)CCn1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000085405807 211175620 /nfs/dbraw/zinc/17/56/20/211175620.db2.gz QJDSQTXQFGIPKJ-UHFFFAOYSA-N 0 0 390.314 4.850 50 0 GJAARN O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccnc(Cl)c1 ZINC000084522659 211168770 /nfs/dbraw/zinc/16/87/70/211168770.db2.gz UIWCZMQMKJWAOM-OAQYLSRUSA-N 0 0 378.859 4.579 50 0 GJAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)N1CCO[C@H]2CCC[C@H]21 ZINC000078698427 211149926 /nfs/dbraw/zinc/14/99/26/211149926.db2.gz PBNNQAGITVTRSG-YADHBBJMSA-N 0 0 392.474 4.687 50 0 GJAARN O=C(c1ccco1)N1CCC(n2ccnc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000072468002 211122664 /nfs/dbraw/zinc/12/26/64/211122664.db2.gz BXHYXZKMJSPAJG-UHFFFAOYSA-N 0 0 389.377 4.639 50 0 GJAARN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)nn1 ZINC000072437823 211120175 /nfs/dbraw/zinc/12/01/75/211120175.db2.gz IXQIVSQVZRMLJI-UHFFFAOYSA-N 0 0 389.333 4.728 50 0 GJAARN Cc1c[nH]c(CN(C)Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)n1 ZINC000072423558 211116419 /nfs/dbraw/zinc/11/64/19/211116419.db2.gz YHZYIMHWMPSAOW-UHFFFAOYSA-N 0 0 387.487 4.543 50 0 GJAARN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2nccn2C)cc1 ZINC000072408832 211114756 /nfs/dbraw/zinc/11/47/56/211114756.db2.gz YZZIODPTGWHAOQ-UHFFFAOYSA-N 0 0 386.499 4.584 50 0 GJAARN CCO[P@](=O)(C(NC(=O)c1ccccc1)=C(Cl)Cl)N1CCCCC1 ZINC000072238704 211082932 /nfs/dbraw/zinc/08/29/32/211082932.db2.gz XYSAOWOUNIIYAL-XMMPIXPASA-N 0 0 391.235 4.736 50 0 GJAARN Cc1cc2oc(C(=O)Nc3ccc(Br)cc3)cc(=O)c2cc1Cl ZINC000072238564 211082761 /nfs/dbraw/zinc/08/27/61/211082761.db2.gz BLFSAMRBLMRSPB-UHFFFAOYSA-N 0 0 392.636 4.770 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](Cc4ccc(C)cc4)C3)c12 ZINC000071847842 211065188 /nfs/dbraw/zinc/06/51/88/211065188.db2.gz NIFMHIKKEQFBAW-SFHVURJKSA-N 0 0 389.499 4.812 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)c1cc(OCc2ccccc2)no1 ZINC000090610024 211037405 /nfs/dbraw/zinc/03/74/05/211037405.db2.gz YOFRCVKUGJYTMD-UHFFFAOYSA-N 0 0 387.233 4.577 50 0 GJAARN CSc1ccccc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607554 211037438 /nfs/dbraw/zinc/03/74/38/211037438.db2.gz BMWIATTVFPWOAW-UHFFFAOYSA-N 0 0 396.434 4.506 50 0 GJAARN CCCCOC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067841339 211024791 /nfs/dbraw/zinc/02/47/91/211024791.db2.gz NZPBPFKNVVKHEZ-UHFFFAOYSA-N 0 0 375.852 4.844 50 0 GJAARN Cc1nc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)co1 ZINC000067786969 211021730 /nfs/dbraw/zinc/02/17/30/211021730.db2.gz AAYGGRQCYCHGDA-UHFFFAOYSA-N 0 0 392.480 4.965 50 0 GJAARN CCc1nccc(CN2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n1 ZINC000067725339 211019835 /nfs/dbraw/zinc/01/98/35/211019835.db2.gz BTRWUVMJLCQPMG-UHFFFAOYSA-N 0 0 396.494 4.919 50 0 GJAARN COc1ccccc1CN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067726359 211019314 /nfs/dbraw/zinc/01/93/14/211019314.db2.gz XCBWDRZTTXTBFV-UHFFFAOYSA-N 0 0 375.468 4.771 50 0 GJAARN CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 ZINC000067296026 211006547 /nfs/dbraw/zinc/00/65/47/211006547.db2.gz RLIACIPSXUUWQF-ATJXCDBQSA-N 0 0 391.452 4.773 50 0 GJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1 ZINC000067259501 211005674 /nfs/dbraw/zinc/00/56/74/211005674.db2.gz TYSGZGFLIJGMMO-UHFFFAOYSA-N 0 0 394.521 4.807 50 0 GJAARN O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1cccs1 ZINC000067259521 211005330 /nfs/dbraw/zinc/00/53/30/211005330.db2.gz WKLRVYDZIZJSBN-UHFFFAOYSA-N 0 0 382.485 4.938 50 0 GJAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1cccc(F)c1 ZINC000067245419 211004966 /nfs/dbraw/zinc/00/49/66/211004966.db2.gz ZQUYOEATLPKELO-UHFFFAOYSA-N 0 0 383.382 4.847 50 0 GJAARN Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1C1CCCCC1)CCC2 ZINC000065855854 211000425 /nfs/dbraw/zinc/00/04/25/211000425.db2.gz ZQYAHPACGKMBAI-UHFFFAOYSA-N 0 0 387.911 4.627 50 0 GJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C)n1 ZINC000067297797 211006155 /nfs/dbraw/zinc/00/61/55/211006155.db2.gz MFQRFALQBDHABI-BZZOAKBMSA-N 0 0 385.423 4.635 50 0 GJAARN CC(C)c1ccc(CNC(=O)C2(c3ccc(NC(=O)C4CC4)cc3)CCC2)cc1 ZINC000065315342 210987890 /nfs/dbraw/zinc/98/78/90/210987890.db2.gz DBWCUTXFXIBLKN-UHFFFAOYSA-N 0 0 390.527 4.897 50 0 GJAARN COc1ccc(-c2cccc3c2CCN(C(=O)Cc2c(C)noc2C)[C@@H]3C)cc1 ZINC000065293127 210984617 /nfs/dbraw/zinc/98/46/17/210984617.db2.gz IXVUAPNUNZIPBD-MRXNPFEDSA-N 0 0 390.483 4.655 50 0 GJAARN O=C(Nc1ccccc1F)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154046 210969985 /nfs/dbraw/zinc/96/99/85/210969985.db2.gz DTHFGDDLXDQQAN-UHFFFAOYSA-N 0 0 388.377 4.736 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NC1CCCCCC1 ZINC000065136378 210968390 /nfs/dbraw/zinc/96/83/90/210968390.db2.gz WQMONDORPBHEBR-QGZVFWFLSA-N 0 0 389.515 4.689 50 0 GJAARN CCn1cc(C2=CCN(C(=O)Nc3ccc(OC)c(F)c3)CC2)c2cccnc21 ZINC000065211752 210975138 /nfs/dbraw/zinc/97/51/38/210975138.db2.gz PJUNJULRLPSNOT-UHFFFAOYSA-N 0 0 394.450 4.525 50 0 GJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1cc(C)ccc1C ZINC000065194774 210974021 /nfs/dbraw/zinc/97/40/21/210974021.db2.gz FBEIPGZFQAMKHO-UHFFFAOYSA-N 0 0 378.476 4.678 50 0 GJAARN O=C(CCc1c(-c2ccccc2)nc2ccccn21)NCc1cccc(Cl)c1 ZINC000064675800 210944859 /nfs/dbraw/zinc/94/48/59/210944859.db2.gz GFUGETRYVFQNJN-UHFFFAOYSA-N 0 0 389.886 4.904 50 0 GJAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1cc(F)ccc1F ZINC000064675569 210944644 /nfs/dbraw/zinc/94/46/44/210944644.db2.gz SKSQSKGSTFWDGA-UHFFFAOYSA-N 0 0 395.384 4.990 50 0 GJAARN CCCN(CCC)S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000064610882 210943447 /nfs/dbraw/zinc/94/34/47/210943447.db2.gz BLBAOAFIFNQXJJ-UHFFFAOYSA-N 0 0 399.516 4.523 50 0 GJAARN Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc(F)cc1F ZINC000064664452 210943084 /nfs/dbraw/zinc/94/30/84/210943084.db2.gz 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210913360 /nfs/dbraw/zinc/91/33/60/210913360.db2.gz DIJJTHPNGAQXBC-LBPRGKRZSA-N 0 0 380.469 4.566 50 0 GJAARN COc1ccc(Oc2ncccc2NC(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000058157832 210908303 /nfs/dbraw/zinc/90/83/03/210908303.db2.gz UTBGBSJKRIQKNW-UHFFFAOYSA-N 0 0 388.427 4.686 50 0 GJAARN C[C@]12CC3CC(C(=O)N4CCC(OCc5ccccn5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000055568936 210889404 /nfs/dbraw/zinc/88/94/04/210889404.db2.gz UJFSNSXNBUERCQ-SYQRVOMBSA-N 0 0 382.548 4.586 50 0 GJAARN COc1ccc(OC)c(-c2cc(=O)c3cc(Cl)cc(Br)c3o2)c1 ZINC000048057027 210844535 /nfs/dbraw/zinc/84/45/35/210844535.db2.gz QJOLITICRMTMTL-UHFFFAOYSA-N 0 0 395.636 4.893 50 0 GJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000046076446 210835259 /nfs/dbraw/zinc/83/52/59/210835259.db2.gz YDJSUYKKVOJNKH-QGZVFWFLSA-N 0 0 395.480 4.915 50 0 GJAARN O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 ZINC000040284651 210783034 /nfs/dbraw/zinc/78/30/34/210783034.db2.gz KEOIZAPMGDMVKS-UHFFFAOYSA-N 0 0 394.814 4.606 50 0 GJAARN O=C(NC1CC1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 ZINC000037544005 210742866 /nfs/dbraw/zinc/74/28/66/210742866.db2.gz GSXYABWJMYLCSH-UHFFFAOYSA-N 0 0 393.281 4.545 50 0 GJAARN CCN(CC)C(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c21 ZINC000036618430 210730166 /nfs/dbraw/zinc/73/01/66/210730166.db2.gz SJUKXMVJBDJWEA-UHFFFAOYSA-N 0 0 375.428 4.940 50 0 GJAARN CCCSCCCNC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035430005 210686527 /nfs/dbraw/zinc/68/65/27/210686527.db2.gz VADWYBJBGKSOTH-UHFFFAOYSA-N 0 0 380.517 4.637 50 0 GJAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1F ZINC000035446717 210686220 /nfs/dbraw/zinc/68/62/20/210686220.db2.gz CKKDWHBKSXLRJC-UHFFFAOYSA-N 0 0 390.462 4.874 50 0 biogenic GJAARN CCCCn1c2nnc(SCc3cc(C)ccc3C)n2c2ccsc2c1=O ZINC000035529095 210691871 /nfs/dbraw/zinc/69/18/71/210691871.db2.gz CIDKEEMVHYHXAU-UHFFFAOYSA-N 0 0 398.557 4.815 50 0 GJAARN Fc1cccc(-c2noc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)n2)c1 ZINC000070039694 210681867 /nfs/dbraw/zinc/68/18/67/210681867.db2.gz OCOLGIDYSHUZNG-UHFFFAOYSA-N 0 0 392.352 4.991 50 0 GJAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000034796032 210665892 /nfs/dbraw/zinc/66/58/92/210665892.db2.gz FAFCNQQWFUPMPD-UHFFFAOYSA-N 0 0 397.862 4.877 50 0 GJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)[C@@H]1c1cccc(Cl)c1 ZINC000034927657 210674230 /nfs/dbraw/zinc/67/42/30/210674230.db2.gz GXMPIPJYNYQVAX-RTWAWAEBSA-N 0 0 396.918 4.699 50 0 GJAARN CCCOc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)cs2)c(F)c1 ZINC000034713615 210664478 /nfs/dbraw/zinc/66/44/78/210664478.db2.gz GMSYVBZDJXJGIH-UHFFFAOYSA-N 0 0 388.439 4.807 50 0 GJAARN O=C(/C=C\c1ccco1)OCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000033618821 210652403 /nfs/dbraw/zinc/65/24/03/210652403.db2.gz BGVZBUCSWJOQHA-QXMHVHEDSA-N 0 0 377.421 4.666 50 0 GJAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)Nc1cccc(Cl)c1 ZINC000033172614 210630335 /nfs/dbraw/zinc/63/03/35/210630335.db2.gz MIAUPHPPFVBIML-UHFFFAOYSA-N 0 0 386.839 4.634 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2c3ccccc3nnc2-c2ccccc2)c1 ZINC000032953070 210607730 /nfs/dbraw/zinc/60/77/30/210607730.db2.gz NKAQAQWPVYTOFQ-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN Cc1ccc(CCC2CCN(C(=O)CCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000032857597 210595479 /nfs/dbraw/zinc/59/54/79/210595479.db2.gz JIMZBCCXTUNJRW-UHFFFAOYSA-N 0 0 393.527 4.570 50 0 GJAARN COCc1cccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn32)c1 ZINC000032739440 210582791 /nfs/dbraw/zinc/58/27/91/210582791.db2.gz NCEMCPFYGPHFAE-UHFFFAOYSA-N 0 0 381.432 4.601 50 0 GJAARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2cc(-c3ccc(F)cc3)nn21 ZINC000032092643 210571163 /nfs/dbraw/zinc/57/11/63/210571163.db2.gz IOJHMVPPEIMXQJ-MRXNPFEDSA-N 0 0 384.798 4.514 50 0 GJAARN O=C(Nc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1)c1cccs1 ZINC000031069404 210560673 /nfs/dbraw/zinc/56/06/73/210560673.db2.gz MXGRYTMIKYUJEZ-UHFFFAOYSA-N 0 0 376.481 4.805 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc2ncsc2c1 ZINC000028685771 210530563 /nfs/dbraw/zinc/53/05/63/210530563.db2.gz VBSTTZLFCXTSRS-UHFFFAOYSA-N 0 0 379.466 4.607 50 0 GJAARN COc1ccccc1OCc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)o1 ZINC000040128020 210530294 /nfs/dbraw/zinc/53/02/94/210530294.db2.gz UDIDPCSOHYOFGW-UHFFFAOYSA-N 0 0 381.472 4.566 50 0 GJAARN COCc1cccc(C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1 ZINC000040121426 210529314 /nfs/dbraw/zinc/52/93/14/210529314.db2.gz PZMWXTDQSGVJHE-INIZCTEOSA-N 0 0 383.488 4.654 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000040103919 210525447 /nfs/dbraw/zinc/52/54/47/210525447.db2.gz OFADSCSAMHHYDS-FQEVSTJZSA-N 0 0 384.476 4.862 50 0 GJAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@H](C(F)(F)F)C1 ZINC000040072621 210523455 /nfs/dbraw/zinc/52/34/55/210523455.db2.gz CKEWYZXCGPNWFQ-INIZCTEOSA-N 0 0 391.437 4.691 50 0 GJAARN O=C1c2ccccc2C(=O)N1CCSCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000024937371 210473504 /nfs/dbraw/zinc/47/35/04/210473504.db2.gz MCJKKMOQGISGSS-UHFFFAOYSA-N 0 0 398.871 4.524 50 0 GJAARN Cc1ccc2nc(N3CCCCC3)c(/C=C3/N=C(c4ccccc4)OC3=O)cc2c1 ZINC000038191063 210482107 /nfs/dbraw/zinc/48/21/07/210482107.db2.gz VIMYPYKGJIHAMV-CJLVFECKSA-N 0 0 397.478 4.878 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1cccc(C)c1C ZINC000024675265 210466707 /nfs/dbraw/zinc/46/67/07/210466707.db2.gz MSQZLJVABVYGII-UHFFFAOYSA-N 0 0 391.515 4.533 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)c2nc(-c3ccccc3)oc2C)c(OC)c1 ZINC000023312772 210439835 /nfs/dbraw/zinc/43/98/35/210439835.db2.gz CTXYCFHFZXCFEM-LJQANCHMSA-N 0 0 392.455 4.645 50 0 GJAARN CCCCc1ccc(-c2ccc(-n3cncc3C(=O)NCCOCC)cc2)cc1 ZINC000023304983 210437765 /nfs/dbraw/zinc/43/77/65/210437765.db2.gz YPVSROPFKILHFP-UHFFFAOYSA-N 0 0 391.515 4.648 50 0 GJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1nnsc1Cl ZINC000022970168 210429779 /nfs/dbraw/zinc/42/97/79/210429779.db2.gz HYFAJQMQSZEQLN-CYBMUJFWSA-N 0 0 386.908 4.637 50 0 GJAARN Cc1nc2nc(Cc3cccc(F)c3)nn2c(Nc2cccc(Cl)c2)c1C ZINC000021941661 210402597 /nfs/dbraw/zinc/40/25/97/210402597.db2.gz ZZAKCDLEEXQFPF-UHFFFAOYSA-N 0 0 381.842 4.868 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)cc(N(C)C)n1 ZINC000021795435 210392823 /nfs/dbraw/zinc/39/28/23/210392823.db2.gz QAAQNQBPCNBANU-UHFFFAOYSA-N 0 0 390.491 4.855 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3[nH]2)o1 ZINC000021789835 210392586 /nfs/dbraw/zinc/39/25/86/210392586.db2.gz OLBAEGOVBGKYSF-UHFFFAOYSA-N 0 0 378.457 4.566 50 0 GJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccncc2)cc1 ZINC000021715819 210392001 /nfs/dbraw/zinc/39/20/01/210392001.db2.gz OFKDRCIPWXMXHB-XMMPIXPASA-N 0 0 397.478 4.750 50 0 GJAARN CCOC(=O)Cn1cc(CN2CCC[C@@H]2c2cc(C(C)C)on2)c2ccccc21 ZINC000021719823 210391089 /nfs/dbraw/zinc/39/10/89/210391089.db2.gz COSXFYCJZXEVTF-OAQYLSRUSA-N 0 0 395.503 4.653 50 0 GJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1cc(Cl)ccc1F)CC(=O)N2 ZINC000021660914 210389149 /nfs/dbraw/zinc/38/91/49/210389149.db2.gz BLCDWRPWMDHTOY-ZDUSSCGKSA-N 0 0 396.809 4.589 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000021708169 210388637 /nfs/dbraw/zinc/38/86/37/210388637.db2.gz KXMSXWZNBYKDDC-UHFFFAOYSA-N 0 0 391.418 4.805 50 0 GJAARN CCc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 ZINC000021538784 210385631 /nfs/dbraw/zinc/38/56/31/210385631.db2.gz JBIKNYWPHDVKKI-UHFFFAOYSA-N 0 0 392.528 4.623 50 0 GJAARN O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H](c1ccccc1)c1ccncc1 ZINC000021842952 210394852 /nfs/dbraw/zinc/39/48/52/210394852.db2.gz VRWWJODYWRTLIE-RUZDIDTESA-N 0 0 382.463 4.765 50 0 GJAARN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000021788166 210393768 /nfs/dbraw/zinc/39/37/68/210393768.db2.gz ZNQJFWWLBMJMQP-KRWDZBQOSA-N 0 0 389.933 4.979 50 0 GJAARN Cc1cc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000021142465 210378123 /nfs/dbraw/zinc/37/81/23/210378123.db2.gz PQIMYYARHVVBIM-UHFFFAOYSA-N 0 0 389.480 4.902 50 0 GJAARN O=C(Oc1cccc(Cl)c1)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000021109397 210377948 /nfs/dbraw/zinc/37/79/48/210377948.db2.gz FLTSFKUNWWOOQJ-UHFFFAOYSA-N 0 0 375.811 4.863 50 0 GJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000021106251 210375938 /nfs/dbraw/zinc/37/59/38/210375938.db2.gz QBGLRWCCKCRSHE-IBGZPJMESA-N 0 0 399.372 4.880 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000021524139 210384372 /nfs/dbraw/zinc/38/43/72/210384372.db2.gz IPISADMXNCSPKP-UHFFFAOYSA-N 0 0 376.387 4.916 50 0 GJAARN Cc1csc(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000021465323 210382236 /nfs/dbraw/zinc/38/22/36/210382236.db2.gz VSTXVKPFRKSOHU-VIFPVBQESA-N 0 0 397.497 4.973 50 0 GJAARN CSc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000021383209 210381606 /nfs/dbraw/zinc/38/16/06/210381606.db2.gz UQDKINBKHCUGSI-UHFFFAOYSA-N 0 0 375.493 4.912 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1 ZINC000020922614 210369082 /nfs/dbraw/zinc/36/90/82/210369082.db2.gz VZTCEOYTAPSXOU-UHFFFAOYSA-N 0 0 392.286 4.720 50 0 GJAARN Cc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1 ZINC000020900023 210366970 /nfs/dbraw/zinc/36/69/70/210366970.db2.gz FJXBVMXOTFICHP-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(F)c1F)SCC(=O)N2 ZINC000020891940 210366104 /nfs/dbraw/zinc/36/61/04/210366104.db2.gz HDZHNRHZJSZKKW-IBGZPJMESA-N 0 0 385.439 4.542 50 0 GJAARN O=C(CC1CCCC1)N1CCC[C@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020999109 210374804 /nfs/dbraw/zinc/37/48/04/210374804.db2.gz KGNNPQCQFRYKPT-KRWDZBQOSA-N 0 0 383.517 4.639 50 0 GJAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1 ZINC000020616254 210354133 /nfs/dbraw/zinc/35/41/33/210354133.db2.gz XPEJFJQCDLPIQJ-UHFFFAOYSA-N 0 0 376.456 4.772 50 0 GJAARN CSc1ccc(CCNC(=O)c2cc3cccc4c3n2C[C@H](C)S4)cc1 ZINC000020559847 210347307 /nfs/dbraw/zinc/34/73/07/210347307.db2.gz BRMJQPDTCLIBKR-AWEZNQCLSA-N 0 0 382.554 4.830 50 0 GJAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(C2CCCC2)n1 ZINC000020617042 210354393 /nfs/dbraw/zinc/35/43/93/210354393.db2.gz AJRPRXDPLNHYOB-UHFFFAOYSA-N 0 0 397.426 4.526 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020530974 210342672 /nfs/dbraw/zinc/34/26/72/210342672.db2.gz BHVNAOSKIGSHPN-HXUWFJFHSA-N 0 0 376.843 4.676 50 0 GJAARN O=C(Nc1cccc(CN2CCOCC2)c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000019850283 210302650 /nfs/dbraw/zinc/30/26/50/210302650.db2.gz ZIZKRLGQUKHJJE-NCELDCMTSA-N 0 0 398.506 4.698 50 0 GJAARN COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000019816347 210299926 /nfs/dbraw/zinc/29/99/26/210299926.db2.gz ZTXLAPZTKOKIQU-UHFFFAOYSA-N 0 0 385.851 4.668 50 0 GJAARN COc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1OC ZINC000019927095 210308746 /nfs/dbraw/zinc/30/87/46/210308746.db2.gz DINIGNLJENMPFT-QGZVFWFLSA-N 0 0 383.391 4.501 50 0 GJAARN CCCCCCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019938378 210308234 /nfs/dbraw/zinc/30/82/34/210308234.db2.gz OOBXVNCWNUBXOH-UHFFFAOYSA-N 0 0 380.532 4.604 50 0 GJAARN Cc1oc(-c2cccc3ccccc32)nc1CN(CCO)Cc1cccs1 ZINC000019882750 210304894 /nfs/dbraw/zinc/30/48/94/210304894.db2.gz MESSVQZCQVCJBQ-UHFFFAOYSA-N 0 0 378.497 4.859 50 0 GJAARN O=C1C[C@H](c2ccc(I)cc2)c2ccc3ccccc3c2N1 ZINC000000728203 220455379 /nfs/dbraw/zinc/45/53/79/220455379.db2.gz KZCYLCQHPYCJIY-QGZVFWFLSA-N 0 0 399.231 4.919 50 0 GJAARN CCN(C1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 ZINC000000939633 220470058 /nfs/dbraw/zinc/47/00/58/220470058.db2.gz KHJKORGYKCYYFZ-UHFFFAOYSA-N 0 0 394.780 4.556 50 0 GJAARN O=C(NCc1ccc(-n2cccn2)cc1)/C(=C\c1ccccc1)c1ccccc1 ZINC000001012097 220474029 /nfs/dbraw/zinc/47/40/29/220474029.db2.gz AMOMVIMGXDCNPD-MOHJPFBDSA-N 0 0 379.463 4.729 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000007986400 221019602 /nfs/dbraw/zinc/01/96/02/221019602.db2.gz LEGPKHNRAWZIEY-UHFFFAOYSA-N 0 0 397.434 4.579 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)cc1Cl ZINC000008608072 221046429 /nfs/dbraw/zinc/04/64/29/221046429.db2.gz GBMSKAOTDZMJGF-NRFANRHFSA-N 0 0 390.870 4.859 50 0 GJAARN COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 ZINC000010156633 221098241 /nfs/dbraw/zinc/09/82/41/221098241.db2.gz YXCDIIGBMIAMQA-OAHLLOKOSA-N 0 0 377.419 4.589 50 0 GJAARN O=C(c1cc2cc(Br)ccc2o1)c1cccc(N2CCCC2=O)c1 ZINC000011157928 221111465 /nfs/dbraw/zinc/11/14/65/221111465.db2.gz XANVTXDPIWFUBC-UHFFFAOYSA-N 0 0 384.229 4.553 50 0 GJAARN O=C(Nc1nc(CN2CCCCC2)nc2ccccc21)c1cc2ccccc2o1 ZINC000011164985 221112455 /nfs/dbraw/zinc/11/24/55/221112455.db2.gz PRYDBCPWPKIZTK-UHFFFAOYSA-N 0 0 386.455 4.614 50 0 GJAARN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000011915030 221136712 /nfs/dbraw/zinc/13/67/12/221136712.db2.gz DODLVOQWIWEQQC-UHFFFAOYSA-N 0 0 380.875 4.910 50 0 GJAARN Cc1ccc(C)c(-n2cc(CN(C)Cc3nccn3C)c(-c3ccccc3)n2)c1 ZINC000011935306 221139119 /nfs/dbraw/zinc/13/91/19/221139119.db2.gz MJSIWRBYXJPERB-UHFFFAOYSA-N 0 0 385.515 4.522 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000012101397 221151129 /nfs/dbraw/zinc/15/11/29/221151129.db2.gz PUBMNQMPKKABOH-UHFFFAOYSA-N 0 0 377.513 4.755 50 0 GJAARN Cc1c(=O)c2cccc(C(=O)NCCc3cccs3)c2oc1-c1ccccc1 ZINC000012800976 221233928 /nfs/dbraw/zinc/23/39/28/221233928.db2.gz RCJVAVXNWRWHJU-UHFFFAOYSA-N 0 0 389.476 4.802 50 0 GJAARN CC(C)C[C@@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000012788379 221231503 /nfs/dbraw/zinc/23/15/03/221231503.db2.gz CCCMLCRFJNXPFE-QGZVFWFLSA-N 0 0 393.268 4.808 50 0 GJAARN COc1cc(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)cc(OC)c1 ZINC000015545107 221337522 /nfs/dbraw/zinc/33/75/22/221337522.db2.gz XRKLBLSIQKRPFJ-JOCHJYFZSA-N 0 0 381.497 4.604 50 0 GJAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccccc4)ccc32)c1 ZINC000046078650 132426072 /nfs/dbraw/zinc/42/60/72/132426072.db2.gz OQOJVVFBWQFTAS-UHFFFAOYSA-N 0 0 384.479 4.518 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 ZINC000058429604 136155577 /nfs/dbraw/zinc/15/55/77/136155577.db2.gz VCIDKEDMILPEED-UHFFFAOYSA-N 0 0 378.497 4.637 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1cccc(F)c1C ZINC000064459726 136156785 /nfs/dbraw/zinc/15/67/85/136156785.db2.gz RADHISYIRZEMPW-LBPRGKRZSA-N 0 0 398.507 4.936 50 0 GJAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cs2)s1 ZINC000064676465 136157396 /nfs/dbraw/zinc/15/73/96/136157396.db2.gz GFQIWEHEGNPMAY-UHFFFAOYSA-N 0 0 397.569 4.759 50 0 GJAARN Cc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)c3cccnc32)cc1 ZINC000064929694 136158188 /nfs/dbraw/zinc/15/81/88/136158188.db2.gz RDFNFNDNVBHRGJ-UHFFFAOYSA-N 0 0 377.875 4.710 50 0 GJAARN O=C(NC1CCCCCC1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000064989366 136158470 /nfs/dbraw/zinc/15/84/70/136158470.db2.gz MJBNNGDTRHPAMG-UHFFFAOYSA-N 0 0 378.520 4.587 50 0 GJAARN O=C(Nc1cccc(F)c1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1 ZINC000064989587 136158536 /nfs/dbraw/zinc/15/85/36/136158536.db2.gz KGSZOXPANLRWJG-UHFFFAOYSA-N 0 0 376.435 4.525 50 0 GJAARN Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)nc2ccccc12 ZINC000095503753 136180227 /nfs/dbraw/zinc/18/02/27/136180227.db2.gz WCWXFODTNITHTI-LJQANCHMSA-N 0 0 383.499 4.567 50 0 GJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)NC4CCCCCC4)CC3)n2)cc1 ZINC000096323132 136186564 /nfs/dbraw/zinc/18/65/64/136186564.db2.gz QJDDOMYVFSEATM-UHFFFAOYSA-N 0 0 392.547 4.507 50 0 GJAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@@H]2CC(=O)NC2CCCCC2)cc1 ZINC000096323101 136186649 /nfs/dbraw/zinc/18/66/49/136186649.db2.gz DGDYMBXMFGDTIG-NRFANRHFSA-N 0 0 396.506 4.741 50 0 GJAARN Cc1nc2sc3c(c2c(Oc2ccc4c5c2CCCN5CCC4)n1)CCC3 ZINC000004188461 136193644 /nfs/dbraw/zinc/19/36/44/136193644.db2.gz BWKHMUJENUYYOX-UHFFFAOYSA-N 0 0 377.513 4.980 50 0 GJAARN Cc1ccc(-c2ccc(SCC(=O)N3CCCc4ccccc43)nn2)cc1 ZINC000004356066 136193912 /nfs/dbraw/zinc/19/39/12/136193912.db2.gz XLLGHEQAHPGDDW-UHFFFAOYSA-N 0 0 375.497 4.524 50 0 GJAARN Cc1cc(C)c(C)c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000004541328 136194008 /nfs/dbraw/zinc/19/40/08/136194008.db2.gz MTSCNDGLXJCDSF-LJQANCHMSA-N 0 0 398.572 4.876 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(N2CCCCC2=O)c1 ZINC000005441687 136194908 /nfs/dbraw/zinc/19/49/08/136194908.db2.gz ZOMCNZUQBNKLQB-UHFFFAOYSA-N 0 0 393.270 4.528 50 0 GJAARN O=C1c2ccccc2C(=CNc2cccc(O)c2)C(=O)N1c1cccc(Cl)c1 ZINC000103004972 136196472 /nfs/dbraw/zinc/19/64/72/136196472.db2.gz SOPRIIIRMBHTQS-DEDYPNTBSA-N 0 0 390.826 4.686 50 0 GJAARN CC1CCN(c2ccccc2NC(=S)NC(=O)c2cc3ccccc3o2)CC1 ZINC000005977734 136196782 /nfs/dbraw/zinc/19/67/82/136196782.db2.gz FRZNAEXZWUSYRI-UHFFFAOYSA-N 0 0 393.512 4.796 50 0 GJAARN Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCCN2C3=O)ccc1Cl ZINC000169766500 136198387 /nfs/dbraw/zinc/19/83/87/136198387.db2.gz GLVXDNVSFXLZLB-HXUWFJFHSA-N 0 0 397.906 4.693 50 0 GJAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CCCCCC3)CC2)nn1 ZINC000022493853 136203989 /nfs/dbraw/zinc/20/39/89/136203989.db2.gz UGHBYEJURXZUTO-UHFFFAOYSA-N 0 0 392.547 4.507 50 0 GJAARN O=C(c1ccccc1)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 ZINC000028048000 221666834 /nfs/dbraw/zinc/66/68/34/221666834.db2.gz PEFSDAQKMNMEPG-OAQYLSRUSA-N 0 0 376.843 4.524 50 0 GJAARN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1 ZINC000028404779 221677631 /nfs/dbraw/zinc/67/76/31/221677631.db2.gz QDVNGXIBJCUKDJ-INIZCTEOSA-N 0 0 383.517 4.831 50 0 GJAARN Cc1ccc(-c2cn3ccn(-c4ccc(Br)cc4)c(=O)c3n2)c(C)c1 ZINC000064675376 222077606 /nfs/dbraw/zinc/07/76/06/222077606.db2.gz KHCNZSUWANUCHG-UHFFFAOYSA-N 0 0 394.272 4.532 50 0 GJAARN COc1ccccc1CNc1ccc(-c2nc(-c3ccc(F)cc3)no2)cn1 ZINC000064676948 222079323 /nfs/dbraw/zinc/07/93/23/222079323.db2.gz TUXDUBVINZVGAR-UHFFFAOYSA-N 0 0 376.391 4.558 50 0 GJAARN CC[C@H](C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000003322702 523816530 /nfs/dbraw/zinc/81/65/30/523816530.db2.gz VYWHPUSBNMGBEH-INIZCTEOSA-N 0 0 379.428 4.677 50 0 GJAARN COc1ccc(C2=C(Oc3ccc(F)cc3)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000247951197 523871603 /nfs/dbraw/zinc/87/16/03/523871603.db2.gz LUHKAFLEPLFVGB-MUUNZHRXSA-N 0 0 396.439 4.869 50 0 GJAARN COc1ccc(Nc2ccccc2NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000009378798 524714616 /nfs/dbraw/zinc/71/46/16/524714616.db2.gz MDZZCWUSYRBJTR-NRFANRHFSA-N 0 0 388.423 4.679 50 0 GJAARN Cc1nc2ccc(C(=O)OCc3cc4ccccc4nc3Cl)cc2nc1C ZINC000006590452 527138368 /nfs/dbraw/zinc/13/83/68/527138368.db2.gz 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ZINC000049622786 570271214 /nfs/dbraw/zinc/27/12/14/570271214.db2.gz OJBUDGSNEXDUSL-UHFFFAOYSA-N 0 0 379.847 4.900 50 0 GJAARN CCOC(=O)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000049649292 570271881 /nfs/dbraw/zinc/27/18/81/570271881.db2.gz IOMCEWQTDYRYSG-QFIPXVFZSA-N 0 0 380.532 4.945 50 0 GJAARN Cc1ccc(C)c(NC(=O)c2ccn([C@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000020617314 570272987 /nfs/dbraw/zinc/27/29/87/570272987.db2.gz AVHYUYIDRIOXSR-GOSISDBHSA-N 0 0 390.487 4.569 50 0 GJAARN Cc1cc(NC(=O)c2ccccc2OCc2c(C)noc2C)n(C2CCCC2)n1 ZINC000020617508 570273023 /nfs/dbraw/zinc/27/30/23/570273023.db2.gz USXICQCVOZDCCC-UHFFFAOYSA-N 0 0 394.475 4.743 50 0 GJAARN CCOC(=O)C(C=Nc1cc(Cl)c(-c2ccco2)c(Cl)c1)C(=O)OCC ZINC000100645284 570274105 /nfs/dbraw/zinc/27/41/05/570274105.db2.gz NNVFXRGZDQRDBI-UHFFFAOYSA-N 0 0 398.242 4.675 50 0 GJAARN COc1cc(/C=C2\N=C(c3ccccc3)C(=O)O2)ccc1OCc1ccccc1 ZINC000002091729 570274221 /nfs/dbraw/zinc/27/42/21/570274221.db2.gz ZSDFYXZXBCYQJI-PXLXIMEGSA-N 0 0 385.419 4.619 50 0 GJAARN CC(=O)Nc1ccc(F)c(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c1 ZINC000012874749 570274416 /nfs/dbraw/zinc/27/44/16/570274416.db2.gz ZGQIGUOVVOQEJC-UHFFFAOYSA-N 0 0 398.463 4.535 50 0 GJAARN CCCOc1c(Cl)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC ZINC000002092965 570274558 /nfs/dbraw/zinc/27/45/58/570274558.db2.gz PXGOPFWGOWGIBZ-UKTHLTGXSA-N 0 0 377.849 4.543 50 0 GJAARN O=S(=O)(NCc1csc(-c2ccccc2)n1)c1cc(Cl)cc(Cl)c1 ZINC000012875446 570274873 /nfs/dbraw/zinc/27/48/73/570274873.db2.gz FFHHRFYBIVCFLN-UHFFFAOYSA-N 0 0 399.324 4.595 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)ccc21 ZINC000002129279 570275433 /nfs/dbraw/zinc/27/54/33/570275433.db2.gz FMQSFXLYUGDCOT-RPWUZVMVSA-N 0 0 390.483 4.875 50 0 GJAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000020737417 570278156 /nfs/dbraw/zinc/27/81/56/570278156.db2.gz IWOMCSCWOPVQSV-MRXNPFEDSA-N 0 0 384.798 4.514 50 0 GJAARN COc1cc(-c2nc3ccccc3n2Cc2ccccc2F)cc(OC)c1OC ZINC000015861495 570278311 /nfs/dbraw/zinc/27/83/11/570278311.db2.gz FYRHOQHWUVDCKB-UHFFFAOYSA-N 0 0 392.430 4.917 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)c1 ZINC000015863881 570279888 /nfs/dbraw/zinc/27/98/88/570279888.db2.gz VNVJZKYUAMRZOR-UHFFFAOYSA-N 0 0 385.467 4.674 50 0 GJAARN COc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OCc1ccccc1 ZINC000000647271 570280302 /nfs/dbraw/zinc/28/03/02/570280302.db2.gz OUCNKFMDOIPVTJ-ATVHPVEESA-N 0 0 391.448 4.680 50 0 GJAARN Clc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn21 ZINC000002263569 570280689 /nfs/dbraw/zinc/28/06/89/570280689.db2.gz ZIELXTKUNKBKOK-UHFFFAOYSA-N 0 0 381.642 4.529 50 0 GJAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(Cl)cc1 ZINC000015880567 570282862 /nfs/dbraw/zinc/28/28/62/570282862.db2.gz NVSQIKYHUBHVPE-UHFFFAOYSA-N 0 0 386.864 4.622 50 0 GJAARN CN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000020936306 570285354 /nfs/dbraw/zinc/28/53/54/570285354.db2.gz FTMLMXMWEQRGPF-FQEVSTJZSA-N 0 0 391.858 4.789 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000002384545 570285359 /nfs/dbraw/zinc/28/53/59/570285359.db2.gz ZCPCQUJSVHQIRF-LBPRGKRZSA-N 0 0 388.533 4.751 50 0 GJAARN CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1OCC ZINC000000668067 570287516 /nfs/dbraw/zinc/28/75/16/570287516.db2.gz OLJTXMADEILPPD-OAQYLSRUSA-N 0 0 390.483 4.593 50 0 GJAARN c1ccc(Cn2c(SCc3nc(-c4ccccc4)no3)nnc2C2CC2)cc1 ZINC000014086470 570287599 /nfs/dbraw/zinc/28/75/99/570287599.db2.gz LRIIITSOZZHOBO-UHFFFAOYSA-N 0 0 389.484 4.546 50 0 GJAARN COc1ccccc1OCCCN(C)C(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC000215548721 570289713 /nfs/dbraw/zinc/28/97/13/570289713.db2.gz HHJCZWBCBNIMPD-UHFFFAOYSA-N 0 0 379.456 4.805 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccccc2Cl)n2cnc(-c3ccco3)cc12 ZINC000002529474 570289958 /nfs/dbraw/zinc/28/99/58/570289958.db2.gz OROVHFYYYGQWOH-UHFFFAOYSA-N 0 0 394.814 4.655 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000002543665 570290409 /nfs/dbraw/zinc/29/04/09/570290409.db2.gz 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570296459 /nfs/dbraw/zinc/29/64/59/570296459.db2.gz SMHYXQDGCSOUMG-UHFFFAOYSA-N 0 0 379.423 4.668 50 0 GJAARN COc1ccc(-c2nc(CSCC(=O)Nc3ccc(F)c(F)c3)co2)cc1 ZINC000012928198 570298245 /nfs/dbraw/zinc/29/82/45/570298245.db2.gz SGJLUGYYDMWGTQ-UHFFFAOYSA-N 0 0 390.411 4.500 50 0 GJAARN C[C@@H]1CO[P@](=O)([C@@H](NCc2ccccc2)c2ccc(Br)cc2)O1 ZINC000022014788 570301874 /nfs/dbraw/zinc/30/18/74/570301874.db2.gz MUZKRFLNJBGJNT-QHXAMGISSA-N 0 0 396.221 4.866 50 0 GJAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(C)c(C)c1 ZINC000002794871 570302192 /nfs/dbraw/zinc/30/21/92/570302192.db2.gz QFWUGQONTSAHDT-UHFFFAOYSA-N 0 0 395.480 4.836 50 0 GJAARN COc1ccc2nc(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)sc2c1 ZINC000022024725 570302288 /nfs/dbraw/zinc/30/22/88/570302288.db2.gz DNCLOJQFYPDXOC-UHFFFAOYSA-N 0 0 399.472 4.904 50 0 GJAARN O=C(OCc1ccccc1)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC000022050599 570303236 /nfs/dbraw/zinc/30/32/36/570303236.db2.gz LWZWKAWTHAMCLH-HSZRJFAPSA-N 0 0 377.459 4.770 50 0 in-vitro GJAARN Cc1sc2[nH]c(-c3cncn3C)nc(=O)c2c1-c1ccc(Cl)cc1Cl ZINC000119816847 570304132 /nfs/dbraw/zinc/30/41/32/570304132.db2.gz CNFXCVZXYBYGGB-UHFFFAOYSA-N 0 0 391.283 4.667 50 0 GJAARN CCCN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1cccc(Cl)c1 ZINC000022070201 570304357 /nfs/dbraw/zinc/30/43/57/570304357.db2.gz SZGRCLWQJAKGFR-UHFFFAOYSA-N 0 0 390.892 4.596 50 0 GJAARN O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cccc2c(-c3ccccc3)ccnc21 ZINC000002830718 570305360 /nfs/dbraw/zinc/30/53/60/570305360.db2.gz BCTYQXILTCOHBZ-RTBURBONSA-N 0 0 388.854 4.924 50 0 GJAARN CCN(Cc1ccccc1)C(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000022133553 570306473 /nfs/dbraw/zinc/30/64/73/570306473.db2.gz CFTDTZZBELGMRJ-UHFFFAOYSA-N 0 0 377.513 4.648 50 0 GJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3ccccc3F)cc2)o1 ZINC000012934312 570308491 /nfs/dbraw/zinc/30/84/91/570308491.db2.gz OJENCHNFOGTLOT-UHFFFAOYSA-N 0 0 387.414 4.781 50 0 GJAARN Cc1ccc(NC(=O)COc2ccccc2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000002850693 570308716 /nfs/dbraw/zinc/30/87/16/570308716.db2.gz BKZYAKBMKLZUHE-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN O=C(Nc1nc(CN2CCCC2)cs1)c1cc2c(s1)-c1ccccc1CC2 ZINC000012935571 570310142 /nfs/dbraw/zinc/31/01/42/570310142.db2.gz SUNDLMFXWMUYCJ-UHFFFAOYSA-N 0 0 395.553 4.818 50 0 GJAARN Cc1c(C)c(C)c(CS(=O)(=O)CCC(=O)c2ccc(F)cc2)c(C)c1C ZINC000000732284 570310701 /nfs/dbraw/zinc/31/07/01/570310701.db2.gz LVOHAGQRCZZKTJ-UHFFFAOYSA-N 0 0 376.493 4.556 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1Cl ZINC000002861384 570311371 /nfs/dbraw/zinc/31/13/71/570311371.db2.gz FRPSRXCRUSNYDE-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)CC2CC2)[C@H]1c1cccs1 ZINC000257173369 570311860 /nfs/dbraw/zinc/31/18/60/570311860.db2.gz LMIAJHBXYYXDAL-LEWJYISDSA-N 0 0 396.556 4.553 50 0 GJAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 ZINC000034909961 570312938 /nfs/dbraw/zinc/31/29/38/570312938.db2.gz IFTAJKKOYUCIRF-UNOMPAQXSA-N 0 0 382.485 4.808 50 0 GJAARN Cc1ccc(-c2cc(C(=O)NC3CC3)c3cc(Br)ccc3n2)cc1 ZINC000002867672 570313284 /nfs/dbraw/zinc/31/32/84/570313284.db2.gz UVQZQECKYNQXBH-UHFFFAOYSA-N 0 0 381.273 4.865 50 0 GJAARN C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(F)cc1F ZINC000024843208 570313485 /nfs/dbraw/zinc/31/34/85/570313485.db2.gz JFGFCCBJFLVXHM-VIFPVBQESA-N 0 0 379.204 4.700 50 0 GJAARN COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)c1 ZINC000007088138 570313990 /nfs/dbraw/zinc/31/39/90/570313990.db2.gz XLQAZDGTATVKPU-HSZRJFAPSA-N 0 0 396.450 4.652 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 ZINC000022462119 570317547 /nfs/dbraw/zinc/31/75/47/570317547.db2.gz XYTDHEBBHMVNNJ-UHFFFAOYSA-N 0 0 390.830 4.633 50 0 GJAARN O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1Cl ZINC000022462600 570317586 /nfs/dbraw/zinc/31/75/86/570317586.db2.gz LZFJFHUTHOCDFP-UHFFFAOYSA-N 0 0 390.830 4.628 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2cccs2)no1 ZINC000022460742 570317601 /nfs/dbraw/zinc/31/76/01/570317601.db2.gz GDQGRNSJYDDPLA-UHFFFAOYSA-N 0 0 395.415 4.622 50 0 GJAARN COc1cc(C(=O)N2CCCc3ccccc32)ccc1OCc1csc(C)n1 ZINC000012953415 570319204 /nfs/dbraw/zinc/31/92/04/570319204.db2.gz FNPDJPWNZSOKDG-UHFFFAOYSA-N 0 0 394.496 4.632 50 0 GJAARN Nc1c2ncn(-c3ccccc3)c2nc2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 ZINC000575473053 570319979 /nfs/dbraw/zinc/31/99/79/570319979.db2.gz AKKACAXOBDZGHJ-CQSZACIVSA-N 0 0 388.858 4.569 50 0 GJAARN COc1cccc(COc2cccc(-c3nc(C(=O)NCC4CC4)cs3)c2)c1 ZINC000034717433 570320429 /nfs/dbraw/zinc/32/04/29/570320429.db2.gz VGHAXHHCTBDYHZ-UHFFFAOYSA-N 0 0 394.496 4.538 50 0 GJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccccc4)cc3)n[nH]2)c1 ZINC000023335817 570321156 /nfs/dbraw/zinc/32/11/56/570321156.db2.gz DKHAKKXBAANHHV-UHFFFAOYSA-N 0 0 383.451 4.682 50 0 GJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1ccco1 ZINC000007272854 570326397 /nfs/dbraw/zinc/32/63/97/570326397.db2.gz WJXMQBXQPWDSPY-PKNBQFBNSA-N 0 0 397.496 4.991 50 0 GJAARN CC(C)(C)CC(=O)Nc1ccccc1N1CCCN(Cc2ccccc2)C1=O ZINC000034734908 570326539 /nfs/dbraw/zinc/32/65/39/570326539.db2.gz QSWFSOULLFYMLD-UHFFFAOYSA-N 0 0 379.504 4.894 50 0 GJAARN COc1ccc(C)cc1NC(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000007283236 570331650 /nfs/dbraw/zinc/33/16/50/570331650.db2.gz NNHKGPCINCBXSN-UHFFFAOYSA-N 0 0 381.501 4.537 50 0 GJAARN Cc1cccc(OCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000003184456 570331832 /nfs/dbraw/zinc/33/18/32/570331832.db2.gz FACPQACMPLXEDP-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1cc(OC)cc(OC)c1 ZINC000034794805 570336989 /nfs/dbraw/zinc/33/69/89/570336989.db2.gz GMHGSMCSZFQOLU-UHFFFAOYSA-N 0 0 379.460 4.525 50 0 GJAARN C[S@@](=O)c1ccc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000053726137 570338812 /nfs/dbraw/zinc/33/88/12/570338812.db2.gz GLGJLIFAASEXKX-DFHRPNOPSA-N 0 0 389.476 4.690 50 0 GJAARN CC(C)CNC(=O)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1 ZINC000034906534 570339038 /nfs/dbraw/zinc/33/90/38/570339038.db2.gz LXERKIUAYCHLLA-FQEVSTJZSA-N 0 0 396.579 4.605 50 0 GJAARN CC(C)CCn1c2ccccc2nc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000034906753 570339307 /nfs/dbraw/zinc/33/93/07/570339307.db2.gz FKPKQNNVVUCCCI-UHFFFAOYSA-N 0 0 396.579 4.748 50 0 GJAARN CC(C)CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906705 570339366 /nfs/dbraw/zinc/33/93/66/570339366.db2.gz RKUNNRLCGYNKEL-GOSISDBHSA-N 0 0 382.552 4.530 50 0 GJAARN Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)n[nH]2)cc1 ZINC000022989243 570340030 /nfs/dbraw/zinc/34/00/30/570340030.db2.gz BWVZCVWRUBXFGK-HNNXBMFYSA-N 0 0 388.427 4.662 50 0 GJAARN CCCCn1c2ccccc2nc1N1CCC(C(=O)Nc2ccc(C)cc2)CC1 ZINC000034909955 570340511 /nfs/dbraw/zinc/34/05/11/570340511.db2.gz UQNROWRFFBJVOR-UHFFFAOYSA-N 0 0 390.531 5.000 50 0 GJAARN Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccccc1Cl ZINC000063887890 570343510 /nfs/dbraw/zinc/34/35/10/570343510.db2.gz KASAGZVQLDQCEN-UHFFFAOYSA-N 0 0 380.757 4.500 50 0 GJAARN CCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)cc1-c1ccc(F)c(F)c1 ZINC000034901858 570343659 /nfs/dbraw/zinc/34/36/59/570343659.db2.gz LLWYMPKNDPNQPF-LJQANCHMSA-N 0 0 381.426 4.656 50 0 GJAARN Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)c1 ZINC000006231822 570344633 /nfs/dbraw/zinc/34/46/33/570344633.db2.gz ILZOIRKDPQNUDV-UHFFFAOYSA-N 0 0 388.467 4.882 50 0 GJAARN CCc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 ZINC000035375244 570345591 /nfs/dbraw/zinc/34/55/91/570345591.db2.gz SCSQDEDNEKKDMN-UHFFFAOYSA-N 0 0 380.473 4.531 50 0 GJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000035375292 570345710 /nfs/dbraw/zinc/34/57/10/570345710.db2.gz DVRLEIWPFDIFBV-UHFFFAOYSA-N 0 0 380.473 4.585 50 0 GJAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3F)C2)cc1 ZINC000004857886 570349468 /nfs/dbraw/zinc/34/94/68/570349468.db2.gz QIDLMQSLSRENAC-QFIPXVFZSA-N 0 0 394.471 4.674 50 0 GJAARN O=C(/C=C\c1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033441507 570350217 /nfs/dbraw/zinc/35/02/17/570350217.db2.gz NXLRXVYSTZWTJS-HJWRWDBZSA-N 0 0 394.824 4.721 50 0 GJAARN Cc1noc(C)c1CN(C)C(=O)CCSc1cc(C)c2cc(C)ccc2n1 ZINC000219245730 570350246 /nfs/dbraw/zinc/35/02/46/570350246.db2.gz DCHVOQVAMLOIAM-UHFFFAOYSA-N 0 0 383.517 4.597 50 0 GJAARN FC(F)(F)c1cccc(N2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000055543575 570351238 /nfs/dbraw/zinc/35/12/38/570351238.db2.gz SVKBEXZCXQQCNW-UHFFFAOYSA-N 0 0 399.254 4.790 50 0 GJAARN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000004871116 570352183 /nfs/dbraw/zinc/35/21/83/570352183.db2.gz OKBZCQOAZNRUQV-GXFFZTMASA-N 0 0 383.872 4.546 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSc2ccc3ccccc3c2)c1C ZINC000006269075 570353773 /nfs/dbraw/zinc/35/37/73/570353773.db2.gz KAPKRZHREGCABK-UHFFFAOYSA-N 0 0 395.480 4.506 50 0 GJAARN CCOc1ccc(-c2ccc(C(=O)NCc3ccc(OC)cc3OC)s2)cc1 ZINC000023321543 570354442 /nfs/dbraw/zinc/35/44/42/570354442.db2.gz ODWXBVSLTSETOW-UHFFFAOYSA-N 0 0 397.496 4.761 50 0 GJAARN CCc1nnc(-c2cn(CC(=O)Nc3cc(Cl)ccc3C)c3ccccc23)o1 ZINC000035422931 570354698 /nfs/dbraw/zinc/35/46/98/570354698.db2.gz ZZHQVEQMFKTZGD-UHFFFAOYSA-N 0 0 394.862 4.854 50 0 GJAARN CCc1nnc(-c2cn(CC(=O)Nc3ccccc3Cl)c3ccccc23)o1 ZINC000035422923 570354716 /nfs/dbraw/zinc/35/47/16/570354716.db2.gz JVGRDXMQRVLDPB-UHFFFAOYSA-N 0 0 380.835 4.546 50 0 GJAARN Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004891513 570357628 /nfs/dbraw/zinc/35/76/28/570357628.db2.gz GSDOHASHNZPVDR-UHFFFAOYSA-N 0 0 385.920 4.958 50 0 GJAARN O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000004148803 570359744 /nfs/dbraw/zinc/35/97/44/570359744.db2.gz FFFMJPOQTZYKPS-UHFFFAOYSA-N 0 0 396.903 4.633 50 0 GJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000008118335 570360679 /nfs/dbraw/zinc/36/06/79/570360679.db2.gz HXYZKNYIIBCADL-GFCCVEGCSA-N 0 0 382.813 4.744 50 0 GJAARN CCN1CCSc2ccc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000004908623 570361616 /nfs/dbraw/zinc/36/16/16/570361616.db2.gz LIAZCLXIIYUAEB-UHFFFAOYSA-N 0 0 388.361 4.566 50 0 GJAARN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)N1CCCCCC1 ZINC000004908577 570361769 /nfs/dbraw/zinc/36/17/69/570361769.db2.gz GWXBJDVJCZGMQT-UHFFFAOYSA-N 0 0 384.520 4.954 50 0 GJAARN Cc1cccc(C(=O)Nc2cccc(Oc3nc4ccccc4n4cnnc34)c2)c1 ZINC000035461070 570364850 /nfs/dbraw/zinc/36/48/50/570364850.db2.gz GXSNHSAEBGTOHR-UHFFFAOYSA-N 0 0 395.422 4.631 50 0 GJAARN CCc1ccccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000004915512 570364988 /nfs/dbraw/zinc/36/49/88/570364988.db2.gz PLBWNWABNGIPJF-HSZRJFAPSA-N 0 0 386.451 4.744 50 0 GJAARN Cc1ccccc1Cc1nnc(NC(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000023544174 570365270 /nfs/dbraw/zinc/36/52/70/570365270.db2.gz NKRHBDHRDHUTMN-OAHLLOKOSA-N 0 0 399.545 4.653 50 0 GJAARN O=C([O-])C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000035475966 570365420 /nfs/dbraw/zinc/36/54/20/570365420.db2.gz WRFUCBLOJRTSJS-UHFFFAOYSA-N 0 0 382.891 4.640 50 0 GJAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000035476097 570366308 /nfs/dbraw/zinc/36/63/08/570366308.db2.gz UQKQXCFNMOKELJ-UHFFFAOYSA-N 0 0 388.518 4.566 50 0 GJAARN C=Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000035478010 570366322 /nfs/dbraw/zinc/36/63/22/570366322.db2.gz UTAMINIEUMOVDJ-UHFFFAOYSA-N 0 0 398.437 4.766 50 0 GJAARN Cc1nc2ccc(NC(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)cc2s1 ZINC000010558096 570370181 /nfs/dbraw/zinc/37/01/81/570370181.db2.gz JIGZZORWFZBHGB-UHFFFAOYSA-N 0 0 384.461 4.844 50 0 GJAARN O=C(Nc1cccc2c1CCCC2)c1cnn(-c2ccc(Br)cc2)c1 ZINC000035481207 570372954 /nfs/dbraw/zinc/37/29/54/570372954.db2.gz OCSPUGNQZZYANF-UHFFFAOYSA-N 0 0 396.288 4.766 50 0 GJAARN C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCc2ccccc2C1 ZINC000023909385 570375172 /nfs/dbraw/zinc/37/51/72/570375172.db2.gz QXPJDRALLALXBY-ZDUSSCGKSA-N 0 0 393.537 4.832 50 0 GJAARN COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1OC(F)F ZINC000022753708 570377789 /nfs/dbraw/zinc/37/77/89/570377789.db2.gz DUQOACVOAYOSAT-UHFFFAOYSA-N 0 0 390.411 4.981 50 0 GJAARN O=C(C1CCC1)N(Cc1nccn1Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000006690389 570378963 /nfs/dbraw/zinc/37/89/63/570378963.db2.gz WQJHFJPACHFJCL-UHFFFAOYSA-N 0 0 378.303 4.529 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000004952376 570381150 /nfs/dbraw/zinc/38/11/50/570381150.db2.gz KZEUCZRPRCJIGP-UHFFFAOYSA-N 0 0 387.892 4.992 50 0 GJAARN CCCCN[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl ZINC000024302740 570381927 /nfs/dbraw/zinc/38/19/27/570381927.db2.gz MGRDHYBMPDCKBA-OAHLLOKOSA-N 0 0 379.759 4.800 50 0 GJAARN COc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)cc1Cl ZINC000004960983 570382686 /nfs/dbraw/zinc/38/26/86/570382686.db2.gz WUDKPBQRZSVSQH-HXUWFJFHSA-N 0 0 397.837 4.649 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024383880 570383031 /nfs/dbraw/zinc/38/30/31/570383031.db2.gz HAYDMKHLPBEIRM-QGZVFWFLSA-N 0 0 390.464 4.770 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000024393557 570383518 /nfs/dbraw/zinc/38/35/18/570383518.db2.gz VSJGJPIFKRMGKN-HXUWFJFHSA-N 0 0 381.472 4.614 50 0 GJAARN Cc1ccc(Cn2cccc2C2=N[C@@H](CSCc3ccccc3)CO2)cc1 ZINC000004970449 570385740 /nfs/dbraw/zinc/38/57/40/570385740.db2.gz IQHLYRXDVDEEOB-OAQYLSRUSA-N 0 0 376.525 4.924 50 0 GJAARN CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000004592212 570386405 /nfs/dbraw/zinc/38/64/05/570386405.db2.gz RBYSVCCCIONBQM-UHFFFAOYSA-N 0 0 393.826 4.749 50 0 GJAARN COc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 ZINC000004598308 570386599 /nfs/dbraw/zinc/38/65/99/570386599.db2.gz JVDBQTBVTSKYSF-UHFFFAOYSA-N 0 0 391.283 4.619 50 0 GJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 ZINC000004615869 570388061 /nfs/dbraw/zinc/38/80/61/570388061.db2.gz IRTWNFQPZMRXAQ-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN CC(=O)NCc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)o1 ZINC000024655693 570388918 /nfs/dbraw/zinc/38/89/18/570388918.db2.gz PUTHWDUWPZVMCA-UHFFFAOYSA-N 0 0 381.379 4.802 50 0 GJAARN COCn1ccnc1[C@@](O)(c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000004631800 570389038 /nfs/dbraw/zinc/38/90/38/570389038.db2.gz IDNFQOVTGDILQV-QFIPXVFZSA-N 0 0 384.907 4.722 50 0 GJAARN CC(C)(C)OC(=O)N1CCC2(CCc3cc(Br)ccc3O2)CC1 ZINC000203785665 570389871 /nfs/dbraw/zinc/38/98/71/570389871.db2.gz NZSBMAJIONQUET-UHFFFAOYSA-N 0 0 382.298 4.544 50 0 GJAARN CCOc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)cc1 ZINC000035534856 570390080 /nfs/dbraw/zinc/39/00/80/570390080.db2.gz RXFIOCDRQNPAIU-UHFFFAOYSA-N 0 0 399.903 4.997 50 0 GJAARN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cnc21 ZINC000024716221 570390211 /nfs/dbraw/zinc/39/02/11/570390211.db2.gz LOEOWLZTPCWVGT-NSHDSACASA-N 0 0 377.275 4.810 50 0 GJAARN Cc1nc(Cl)c(C)c(NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 ZINC000095464806 570391404 /nfs/dbraw/zinc/39/14/04/570391404.db2.gz QFKCDBWQVXSFDP-QGZVFWFLSA-N 0 0 398.919 4.724 50 0 GJAARN Cc1cccc(OCC(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)c1 ZINC000035539911 570391883 /nfs/dbraw/zinc/39/18/83/570391883.db2.gz IIBGPTVKVRPKJT-UHFFFAOYSA-N 0 0 377.444 4.720 50 0 GJAARN CCOC(=O)/C=C/C(=O)n1nc(-c2ccccc2)c2c1[C@H](C(C)C)CC[C@@H]2C ZINC000004671458 570392074 /nfs/dbraw/zinc/39/20/74/570392074.db2.gz GNUMJKTYKPYMCK-GJAMECAOSA-N 0 0 380.488 4.947 50 0 GJAARN Cc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)C3CCCC3)n2)c1 ZINC000035522312 570392109 /nfs/dbraw/zinc/39/21/09/570392109.db2.gz ANPRAVBHRQAXGR-HXUWFJFHSA-N 0 0 375.472 4.635 50 0 GJAARN C[C@H](Sc1nncc2ccccc21)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000024771992 570392485 /nfs/dbraw/zinc/39/24/85/570392485.db2.gz WSTGHCHDMCJQHB-NSHDSACASA-N 0 0 393.390 4.648 50 0 GJAARN Cc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(C(F)(F)F)cc4)N3C2=O)cc1 ZINC000004698494 570394311 /nfs/dbraw/zinc/39/43/11/570394311.db2.gz QPFVHNLSKYARRB-RDJZCZTQSA-N 0 0 392.402 4.597 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)c1c(C)nc(C(C)C)nc1SC ZINC000024831871 570395047 /nfs/dbraw/zinc/39/50/47/570395047.db2.gz MCYWFDFZCKXMIG-UHFFFAOYSA-N 0 0 379.913 4.853 50 0 GJAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)n1 ZINC000024841043 570395599 /nfs/dbraw/zinc/39/55/99/570395599.db2.gz JCRPWENPPJKIBH-UHFFFAOYSA-N 0 0 391.399 4.524 50 0 GJAARN CCc1nc(-c2cc(NC(=O)COc3ccc(Cl)cc3C)c(C)s2)no1 ZINC000035554857 570395683 /nfs/dbraw/zinc/39/56/83/570395683.db2.gz KIPHGMCMTWVZSY-UHFFFAOYSA-N 0 0 391.880 4.648 50 0 GJAARN CCCN(Cc1ccc(C)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000032932592 570397274 /nfs/dbraw/zinc/39/72/74/570397274.db2.gz DRAKEULQICHZAJ-UHFFFAOYSA-N 0 0 393.560 4.989 50 0 GJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C ZINC000004717212 570397427 /nfs/dbraw/zinc/39/74/27/570397427.db2.gz CJNLULVRNIRSID-TZIWHRDSSA-N 0 0 376.500 4.794 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)cc1OC ZINC000024927797 570398705 /nfs/dbraw/zinc/39/87/05/570398705.db2.gz DUOHYXOCZUJOFV-NRFANRHFSA-N 0 0 392.499 4.872 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cccc(C)c2)C1C(=O)OCC ZINC000004735563 570399577 /nfs/dbraw/zinc/39/95/77/570399577.db2.gz GCLKNNCNPBYKJX-NRFANRHFSA-N 0 0 375.472 4.977 50 0 GJAARN CCCCN(C)C(=O)c1ccc(-c2ccc(Oc3ccccc3OC)nn2)cc1 ZINC000033130858 570401843 /nfs/dbraw/zinc/40/18/43/570401843.db2.gz NMAHEIUVPWVYME-UHFFFAOYSA-N 0 0 391.471 4.817 50 0 GJAARN Cc1sc2[nH]c([C@H](C)Sc3nc4ccccc4nc3C)nc(=O)c2c1C ZINC000025057737 570404764 /nfs/dbraw/zinc/40/47/64/570404764.db2.gz ZYCFQLYFRCQEMK-LBPRGKRZSA-N 0 0 382.514 4.706 50 0 GJAARN CC(C)NC(=O)c1cccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)c1 ZINC000033257766 570404798 /nfs/dbraw/zinc/40/47/98/570404798.db2.gz NMOJVASIKVCTGV-ZDUSSCGKSA-N 0 0 385.851 4.668 50 0 GJAARN Fc1cccc(Cl)c1CC1N=NC(=S)N1c1ccc(Br)cc1 ZINC000006402266 570405115 /nfs/dbraw/zinc/40/51/15/570405115.db2.gz JXDMJASNSYGXBF-UHFFFAOYSA-N 0 0 398.688 4.702 50 0 GJAARN C[C@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1cccc2ccccc21 ZINC000061351687 570405543 /nfs/dbraw/zinc/40/55/43/570405543.db2.gz PAXZDCMRYRTWRZ-JTQLQIEISA-N 0 0 391.320 4.580 50 0 GJAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000025091499 570405939 /nfs/dbraw/zinc/40/59/39/570405939.db2.gz XYCBSKBGZORHID-UHFFFAOYSA-N 0 0 387.817 4.813 50 0 GJAARN Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ZINC000004794573 570405988 /nfs/dbraw/zinc/40/59/88/570405988.db2.gz VIGRJFNSOYZCGW-XXHMAFKTSA-N 0 0 394.515 4.647 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(C)c3C)c(C)s2)n1 ZINC000033289953 570406028 /nfs/dbraw/zinc/40/60/28/570406028.db2.gz VRTFJDMNVSYKND-UHFFFAOYSA-N 0 0 378.544 4.906 50 0 GJAARN C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005051090 570406246 /nfs/dbraw/zinc/40/62/46/570406246.db2.gz UGRHGODUVCXZFQ-UHFFFAOYSA-N 0 0 392.524 4.512 50 0 GJAARN O=C(NCc1ccco1)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O ZINC000004806270 570406319 /nfs/dbraw/zinc/40/63/19/570406319.db2.gz RGTPRORXSOADTG-UHFFFAOYSA-N 0 0 393.826 4.560 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000004825538 570409161 /nfs/dbraw/zinc/40/91/61/570409161.db2.gz PBSCLPRHYUVUBY-UHFFFAOYSA-N 0 0 379.456 4.510 50 0 GJAARN COCc1ccccc1CNC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000025307362 570410386 /nfs/dbraw/zinc/41/03/86/570410386.db2.gz PTDKRPIBXJNKOV-UHFFFAOYSA-N 0 0 388.826 4.519 50 0 GJAARN O=C(c1ccc(Br)cc1)N(CCc1ccncc1)c1ccccc1 ZINC000035671319 570411461 /nfs/dbraw/zinc/41/14/61/570411461.db2.gz MZNBXAUDCFNWEG-UHFFFAOYSA-N 0 0 381.273 4.734 50 0 GJAARN Cc1c(C(=O)Nc2c(C)cccc2C)sc2ncn(C3CCCC3)c(=O)c12 ZINC000035673388 570412213 /nfs/dbraw/zinc/41/22/13/570412213.db2.gz MZJQRLNPDJHGKP-UHFFFAOYSA-N 0 0 381.501 4.751 50 0 GJAARN Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3cc(C)ccc3n2)s1 ZINC000006420865 570412552 /nfs/dbraw/zinc/41/25/52/570412552.db2.gz FIHMEGNAVOUTSF-UHFFFAOYSA-N 0 0 390.512 4.597 50 0 GJAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2 ZINC000005077592 570413185 /nfs/dbraw/zinc/41/31/85/570413185.db2.gz SPEVJQDTNXITQY-UHFFFAOYSA-N 0 0 375.453 4.926 50 0 GJAARN CC(C)CC(=O)Nc1ccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000025495177 570414919 /nfs/dbraw/zinc/41/49/19/570414919.db2.gz PDOLMACAGAMQQF-UHFFFAOYSA-N 0 0 390.483 4.878 50 0 GJAARN COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(C)c(Cl)c3C)n2)c1 ZINC000004881450 570415163 /nfs/dbraw/zinc/41/51/63/570415163.db2.gz PJZYLLYBVAAQCT-UHFFFAOYSA-N 0 0 382.773 4.627 50 0 GJAARN Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000013007129 570415759 /nfs/dbraw/zinc/41/57/59/570415759.db2.gz UBSCROCAWRCRGZ-VGOFRKELSA-N 0 0 382.504 4.914 50 0 GJAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)c2cnn(Cc3cccs3)c2n1 ZINC000025617961 570417081 /nfs/dbraw/zinc/41/70/81/570417081.db2.gz WHUNVFRXHOLEBD-MRXNPFEDSA-N 0 0 390.512 4.683 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000025665014 570417725 /nfs/dbraw/zinc/41/77/25/570417725.db2.gz JJSSECSJEFTAER-MHECFPHRSA-N 0 0 398.462 4.522 50 0 GJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1Cl ZINC000004973330 570420500 /nfs/dbraw/zinc/42/05/00/570420500.db2.gz IWGIEYRAWBTUBL-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2)ccc1Cl ZINC000025878731 570420536 /nfs/dbraw/zinc/42/05/36/570420536.db2.gz BRLACEFBORVMPS-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN Cc1ccccc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 ZINC000032950167 570422036 /nfs/dbraw/zinc/42/20/36/570422036.db2.gz NXEWKAMXYQDUGX-UHFFFAOYSA-N 0 0 391.519 4.807 50 0 GJAARN CN(Cc1ccsc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000026090219 570422148 /nfs/dbraw/zinc/42/21/48/570422148.db2.gz LNIHEYMXCSZJTK-UHFFFAOYSA-N 0 0 399.825 4.878 50 0 GJAARN O=C(NC(=S)Nc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000004998800 570422652 /nfs/dbraw/zinc/42/26/52/570422652.db2.gz HFZBPVBGTHXYHR-UHFFFAOYSA-N 0 0 392.267 4.775 50 0 GJAARN C[C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc2ccccc21 ZINC000026246735 570423679 /nfs/dbraw/zinc/42/36/79/570423679.db2.gz ZMKNBHCKSPZYMO-UWJYYQICSA-N 0 0 375.468 4.889 50 0 GJAARN CCOc1cc(C(=O)N2CCCC2)cc(Br)c1OCCC(C)C ZINC000008133399 570425308 /nfs/dbraw/zinc/42/53/08/570425308.db2.gz CFNOAZHXYXNQLB-UHFFFAOYSA-N 0 0 384.314 4.509 50 0 GJAARN O=C(c1ccccc1F)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000005142021 570425922 /nfs/dbraw/zinc/42/59/22/570425922.db2.gz IIVNKUCCLNLBMC-UHFFFAOYSA-N 0 0 381.407 4.817 50 0 GJAARN COc1ccc([C@H]2NC(=S)N=C3C(=C4SCCCS4)CCCC32)cc1 ZINC000006457788 570426440 /nfs/dbraw/zinc/42/64/40/570426440.db2.gz NBILIPQRUUCYCE-MRXNPFEDSA-N 0 0 390.599 4.734 50 0 GJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccccc4C)csc3n2)cc1 ZINC000005146868 570427123 /nfs/dbraw/zinc/42/71/23/570427123.db2.gz UPYHVEDKWIBUCJ-UHFFFAOYSA-N 0 0 377.469 4.561 50 0 GJAARN O=C(Nc1ccc(Cl)c(F)c1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Cl ZINC000239338711 570429381 /nfs/dbraw/zinc/42/93/81/570429381.db2.gz LAIKUDSZHFFLBK-CYRTVHNOSA-N 0 0 376.686 5.274 50 0 GJAARN C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@H]1CC[C@H]2O ZINC000239425656 570429924 /nfs/dbraw/zinc/42/99/24/570429924.db2.gz UYIFTLBWAOGQBI-JRYGSTJPSA-N 0 0 376.496 5.123 50 0 biogenic GJAARN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1SCc1cccs1 ZINC000241277613 570431429 /nfs/dbraw/zinc/43/14/29/570431429.db2.gz LHOYKFIYDMXTTQ-QXAKKESOSA-N 0 0 385.554 4.728 50 0 GJAARN COc1ccc(NC(=O)c2c3ccccc3nnc2-c2ccccc2)c(OC)c1 ZINC000032953014 570431635 /nfs/dbraw/zinc/43/16/35/570431635.db2.gz KOKGRHWRPKCGLG-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000027165054 570432034 /nfs/dbraw/zinc/43/20/34/570432034.db2.gz WILOMXGBAHVLOY-CQSZACIVSA-N 0 0 396.512 4.510 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000027248694 570432767 /nfs/dbraw/zinc/43/27/67/570432767.db2.gz WCGQGXBPNKVXTJ-QHCPKHFHSA-N 0 0 382.463 4.841 50 0 GJAARN COc1cccc([C@H]2C[C@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 ZINC000072270309 570434975 /nfs/dbraw/zinc/43/49/75/570434975.db2.gz NUICLNMFNXEAMK-NHCUHLMSSA-N 0 0 392.524 4.840 50 0 GJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nc2ccc(F)cc2s1 ZINC000011807639 570436130 /nfs/dbraw/zinc/43/61/30/570436130.db2.gz CLEUPRFTKUNNOV-UHFFFAOYSA-N 0 0 385.395 4.801 50 0 GJAARN COc1ccc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc1OC ZINC000027662694 570438746 /nfs/dbraw/zinc/43/87/46/570438746.db2.gz IWVHUTUKKSINPA-UHFFFAOYSA-N 0 0 382.847 4.599 50 0 GJAARN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027747669 570441796 /nfs/dbraw/zinc/44/17/96/570441796.db2.gz KPRKIFZSEYRPMF-IBGZPJMESA-N 0 0 382.891 4.962 50 0 GJAARN CCOc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 ZINC000027749844 570442086 /nfs/dbraw/zinc/44/20/86/570442086.db2.gz YUMVJTCGZJJKAY-UHFFFAOYSA-N 0 0 378.211 4.751 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)c1 ZINC000011902562 570445164 /nfs/dbraw/zinc/44/51/64/570445164.db2.gz PISRPYYJPJNBIT-UHFFFAOYSA-N 0 0 379.416 4.657 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n32)c1 ZINC000011907886 570446523 /nfs/dbraw/zinc/44/65/23/570446523.db2.gz KYMVTGNEMHRKJL-UHFFFAOYSA-N 0 0 390.512 4.847 50 0 GJAARN COc1ccc(-c2nsc(NC(=O)c3oc4ccc(F)cc4c3C)n2)cc1 ZINC000027989368 570447994 /nfs/dbraw/zinc/44/79/94/570447994.db2.gz SXVQZDTWLNEWNY-UHFFFAOYSA-N 0 0 383.404 4.660 50 0 GJAARN Cc1cccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1C ZINC000027992543 570448756 /nfs/dbraw/zinc/44/87/56/570448756.db2.gz UOOXBGIBNZYCOE-KRWDZBQOSA-N 0 0 380.513 4.553 50 0 GJAARN CC(C)(C)c1nc(CSc2nccn2-c2ccc(Br)cc2)no1 ZINC000028013516 570449478 /nfs/dbraw/zinc/44/94/78/570449478.db2.gz NECCIGXVDXQGCU-UHFFFAOYSA-N 0 0 393.310 4.608 50 0 GJAARN C[C@H](Sc1nnc2ccc3ccccc3n21)C(=O)Nc1ccc(Cl)cc1 ZINC000001924315 570450167 /nfs/dbraw/zinc/45/01/67/570450167.db2.gz AKJLDBYCELYVGQ-LBPRGKRZSA-N 0 0 382.876 4.655 50 0 GJAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1F ZINC000005649805 570450279 /nfs/dbraw/zinc/45/02/79/570450279.db2.gz HYAFMGCNVQIFHD-UHFFFAOYSA-N 0 0 397.262 4.648 50 0 GJAARN O=C(c1cccc(OCc2cccnc2)c1)N1CCCc2cc(F)c(F)cc21 ZINC000044490156 570451605 /nfs/dbraw/zinc/45/16/05/570451605.db2.gz SMVLJXWRLDELOA-UHFFFAOYSA-N 0 0 380.394 4.532 50 0 GJAARN C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001984033 570451856 /nfs/dbraw/zinc/45/18/56/570451856.db2.gz ZFRRJSZNZIUSER-VIFPVBQESA-N 0 0 389.732 4.682 50 0 GJAARN COc1ccc(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000000637148 570452445 /nfs/dbraw/zinc/45/24/45/570452445.db2.gz MWZVXDCUDZWDIQ-UHFFFAOYSA-N 0 0 386.403 4.730 50 0 biogenic GJAARN O=P(Oc1ccccc1Cl)(Oc1ccccc1Cl)N1CCOCC1 ZINC000005717593 570453095 /nfs/dbraw/zinc/45/30/95/570453095.db2.gz GSYKZWIFLOZSDK-UHFFFAOYSA-N 0 0 388.187 4.892 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OC/C=C/c3ccccc3)cc2oc1=O ZINC000002150183 570453536 /nfs/dbraw/zinc/45/35/36/570453536.db2.gz YTMTXNJALFYIKN-JXMROGBWSA-N 0 0 392.451 4.689 50 0 biogenic GJAARN CCOc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1OC ZINC000028286727 570453557 /nfs/dbraw/zinc/45/35/57/570453557.db2.gz KIKLMZOOVXHWQI-UHFFFAOYSA-N 0 0 389.864 4.518 50 0 GJAARN O=C(C=Cc1ccco1)Oc1ccc(C=NNc2cccc3cccnc32)cc1 ZINC000252642955 570455535 /nfs/dbraw/zinc/45/55/35/570455535.db2.gz ZRVHOUMRNYAMIR-NMDSLJGVSA-N 0 0 383.407 4.893 50 0 GJAARN COCCOc1ccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1Cl ZINC000126461484 570455567 /nfs/dbraw/zinc/45/55/67/570455567.db2.gz KVRCTZNYLDYBOO-CQSZACIVSA-N 0 0 387.867 4.897 50 0 GJAARN Cc1ccc(-c2nnc(SCc3nnc(Cc4ccccc4C)o3)o2)c(C)c1 ZINC000127760395 570458849 /nfs/dbraw/zinc/45/88/49/570458849.db2.gz VQVRIDXUTYWTAD-UHFFFAOYSA-N 0 0 392.484 4.928 50 0 GJAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000028404454 570459175 /nfs/dbraw/zinc/45/91/75/570459175.db2.gz NOBFGOQRXNFDQY-HNNXBMFYSA-N 0 0 378.472 4.947 50 0 GJAARN O=C(NCc1ccccc1F)c1ccccc1SCc1cn2ccccc2n1 ZINC000028410299 570459628 /nfs/dbraw/zinc/45/96/28/570459628.db2.gz CHQATUKXIMWCNL-UHFFFAOYSA-N 0 0 391.471 4.696 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000028580919 570461577 /nfs/dbraw/zinc/46/15/77/570461577.db2.gz AAZYPNMGMKPPTG-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN CCn1ccnc1CN(Cc1cccs1)c1ccc(Br)cc1 ZINC000072277667 570462503 /nfs/dbraw/zinc/46/25/03/570462503.db2.gz OYQLELJJOUYCDT-UHFFFAOYSA-N 0 0 376.323 4.934 50 0 GJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cc(OC)cc(OC)c1 ZINC000064438577 570462850 /nfs/dbraw/zinc/46/28/50/570462850.db2.gz NLMKWVGUJWYAOJ-UHFFFAOYSA-N 0 0 395.459 4.574 50 0 GJAARN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089518780 570464649 /nfs/dbraw/zinc/46/46/49/570464649.db2.gz WRSOJGPZQAHZFN-AWEZNQCLSA-N 0 0 381.426 4.562 50 0 GJAARN CCOc1ccccc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc21 ZINC000064471747 570467537 /nfs/dbraw/zinc/46/75/37/570467537.db2.gz WPUFYCJFAPZTQA-UHFFFAOYSA-N 0 0 393.512 4.566 50 0 GJAARN CCc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)c1 ZINC000064471744 570467571 /nfs/dbraw/zinc/46/75/71/570467571.db2.gz NOEKWIOUMFJEOR-UHFFFAOYSA-N 0 0 377.513 4.730 50 0 GJAARN Cc1nc(C2(NC(=O)c3cccc(Oc4ccccc4)c3)CCCCC2)no1 ZINC000029057758 570467651 /nfs/dbraw/zinc/46/76/51/570467651.db2.gz INWQOXCCDUIZQY-UHFFFAOYSA-N 0 0 377.444 4.760 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029112509 570468636 /nfs/dbraw/zinc/46/86/36/570468636.db2.gz OFYSXSXTCBDHIM-XMMPIXPASA-N 0 0 389.470 4.948 50 0 GJAARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@@]21NCCc2c3ccccc3[nH]c21 ZINC000019890845 570468771 /nfs/dbraw/zinc/46/87/71/570468771.db2.gz HEHNRBQRNGNKME-QWXGXRTQSA-N 0 0 399.538 4.752 50 0 biogenic GJAARN CN(CC(=O)Nc1cccc2ccccc21)Cc1cc(Br)cs1 ZINC000521402313 570470128 /nfs/dbraw/zinc/47/01/28/570470128.db2.gz SYTKLWQVSVJKPU-UHFFFAOYSA-N 0 0 389.318 4.734 50 0 GJAARN O=C(Nc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006535406 570471181 /nfs/dbraw/zinc/47/11/81/570471181.db2.gz GBLZWPQBXOTZPM-UHFFFAOYSA-N 0 0 388.511 4.885 50 0 GJAARN Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000006269214 570474817 /nfs/dbraw/zinc/47/48/17/570474817.db2.gz KQTPYMPXLXGELR-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN Cc1c(C(=O)N(C)Cc2ccc(Br)cc2)cnn1-c1cccc(C)c1 ZINC000029505593 570475393 /nfs/dbraw/zinc/47/53/93/570475393.db2.gz HAKAFGCXEZGQBP-UHFFFAOYSA-N 0 0 398.304 4.524 50 0 GJAARN CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000006559866 570477033 /nfs/dbraw/zinc/47/70/33/570477033.db2.gz GKRILUISTOYVOV-NSHDSACASA-N 0 0 397.327 4.921 50 0 GJAARN CNC(=S)NC[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000006561555 570478281 /nfs/dbraw/zinc/47/82/81/570478281.db2.gz CJTMMMRYIMOOND-AWEZNQCLSA-N 0 0 378.328 4.701 50 0 GJAARN CCOCCn1c2ccc(Cl)cc2s/c1=N\C(=O)/C=C/c1ccccc1 ZINC000012378500 570479769 /nfs/dbraw/zinc/47/97/69/570479769.db2.gz FWUZYRPEQQTRLS-VPRJXVDDSA-N 0 0 386.904 4.533 50 0 GJAARN COc1ccc(-n2c3ccccc3nc2SCc2nnsc2Cl)cc1 ZINC000029827767 570480805 /nfs/dbraw/zinc/48/08/05/570480805.db2.gz AMHNVMOERCVDAU-UHFFFAOYSA-N 0 0 388.905 4.831 50 0 GJAARN c1ccc(C(OCCSc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000029990863 570483912 /nfs/dbraw/zinc/48/39/12/570483912.db2.gz FGYFLOCWCKIWMI-UHFFFAOYSA-N 0 0 388.496 4.561 50 0 GJAARN CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H](c2ccccc2)C1 ZINC000030030313 570485444 /nfs/dbraw/zinc/48/54/44/570485444.db2.gz OSDKATJAKWGLEM-IBGZPJMESA-N 0 0 397.931 4.592 50 0 GJAARN CSCc1nc2ccccc2n1CC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000030060642 570486284 /nfs/dbraw/zinc/48/62/84/570486284.db2.gz ILXIZAPYQANMCG-CQSZACIVSA-N 0 0 379.485 4.523 50 0 GJAARN O=C(C[C@H]1C=CCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181351 570486546 /nfs/dbraw/zinc/48/65/46/570486546.db2.gz KWFHNHINWLVEIN-KRWDZBQOSA-N 0 0 384.520 4.555 50 0 GJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000030316743 570488005 /nfs/dbraw/zinc/48/80/05/570488005.db2.gz GKEFUWFBFNBRPN-NSHDSACASA-N 0 0 375.255 4.668 50 0 GJAARN Cc1cc(SC[C@@H]2CSc3nnc(-c4cccnc4)n32)nc2ccccc12 ZINC000030533807 570490473 /nfs/dbraw/zinc/49/04/73/570490473.db2.gz PNUKPMWSZSNMMB-OAHLLOKOSA-N 0 0 391.525 4.636 50 0 GJAARN O=C(c1ccc(F)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000005177308 570493986 /nfs/dbraw/zinc/49/39/86/570493986.db2.gz KCYJFFUYSIVNEU-NRFANRHFSA-N 0 0 394.833 4.663 50 0 GJAARN Cc1cc(C)cc(OCCC(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000089585472 570495271 /nfs/dbraw/zinc/49/52/71/570495271.db2.gz SGRTZLLUCWDCFN-UHFFFAOYSA-N 0 0 379.456 4.600 50 0 GJAARN CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 ZINC000006826547 570496321 /nfs/dbraw/zinc/49/63/21/570496321.db2.gz XUFJSKKGDGAQGB-UHFFFAOYSA-N 0 0 382.485 4.802 50 0 GJAARN CCCCCNC(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605869 570496368 /nfs/dbraw/zinc/49/63/68/570496368.db2.gz DWXQCSMMBMXWLF-UHFFFAOYSA-N 0 0 378.451 4.946 50 0 GJAARN Cc1ccccc1OCCN(C)C(=O)c1ccccc1SCc1cscn1 ZINC000030800860 570496547 /nfs/dbraw/zinc/49/65/47/570496547.db2.gz JWEMIYKKCKLKST-UHFFFAOYSA-N 0 0 398.553 4.895 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c1C ZINC000030822160 570496903 /nfs/dbraw/zinc/49/69/03/570496903.db2.gz PSDTZUMWNVEVNP-UHFFFAOYSA-N 0 0 394.500 4.644 50 0 GJAARN CSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccc(Cl)cc1-2 ZINC000007041191 570500516 /nfs/dbraw/zinc/50/05/16/570500516.db2.gz XDCRLFOKPNGIFQ-JCVNQNCUSA-N 0 0 382.876 4.758 50 0 GJAARN C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 ZINC000005200011 570501136 /nfs/dbraw/zinc/50/11/36/570501136.db2.gz NWOWVUGGDWBXLI-HNNXBMFYSA-N 0 0 392.421 4.674 50 0 GJAARN Cc1nc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)sc1C ZINC000061719653 570502062 /nfs/dbraw/zinc/50/20/62/570502062.db2.gz PCGWIZJPMBPFAD-UHFFFAOYSA-N 0 0 380.498 4.926 50 0 GJAARN COc1ccc(CCNC(=O)C2[C@@H]3CC/C=C/CC/C=C\CC[C@@H]23)cc1OC ZINC000584904343 570504647 /nfs/dbraw/zinc/50/46/47/570504647.db2.gz HIORFBZGFBAVJO-NPQLMXMESA-N 0 0 383.532 4.691 50 0 GJAARN c1csc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c1 ZINC000002707206 570506145 /nfs/dbraw/zinc/50/61/45/570506145.db2.gz HCIYGSKPFCTAAW-LEWJYISDSA-N 0 0 384.464 4.552 50 0 GJAARN CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 ZINC000002706376 570506233 /nfs/dbraw/zinc/50/62/33/570506233.db2.gz OEJCAUXJGDMIBR-UHFFFAOYSA-N 0 0 389.525 4.608 50 0 GJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3C)c(C)c21 ZINC000006624557 570508761 /nfs/dbraw/zinc/50/87/61/570508761.db2.gz FPCHBEPWELEKDP-UHFFFAOYSA-N 0 0 375.424 4.954 50 0 biogenic GJAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2nc3ccccc3s2)c1C ZINC000002723068 570508884 /nfs/dbraw/zinc/50/88/84/570508884.db2.gz PDAJIRFKNGIOPJ-UHFFFAOYSA-N 0 0 394.525 4.830 50 0 GJAARN CCOc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 ZINC000002723092 570508887 /nfs/dbraw/zinc/50/88/87/570508887.db2.gz ZQAKZUNZIUUGMB-UHFFFAOYSA-N 0 0 381.501 4.619 50 0 GJAARN COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1OC(F)F ZINC000078705998 570508955 /nfs/dbraw/zinc/50/89/55/570508955.db2.gz AGLZSRGKHFSRDI-INIZCTEOSA-N 0 0 381.806 4.831 50 0 GJAARN Cc1[nH]nc(NC(=O)c2cc(C(C)C)no2)c1-c1cccc(Br)c1 ZINC000078869983 570509179 /nfs/dbraw/zinc/50/91/79/570509179.db2.gz UWTPTLWCMLYZNY-UHFFFAOYSA-N 0 0 389.253 4.511 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 ZINC000079103252 570510232 /nfs/dbraw/zinc/51/02/32/570510232.db2.gz SIXBWGBIZRDZMC-FZKQIMNGSA-N 0 0 384.863 4.545 50 0 GJAARN COc1cccc(CN(C)C(=O)COc2ccc(Cl)c3ccccc23)c1OC ZINC000006627923 570510263 /nfs/dbraw/zinc/51/02/63/570510263.db2.gz KSJLMQLHPJMOMH-UHFFFAOYSA-N 0 0 399.874 4.548 50 0 GJAARN O=C(CSc1ccccc1)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000002764269 570512691 /nfs/dbraw/zinc/51/26/91/570512691.db2.gz UGUMHKLTWXWTKY-UHFFFAOYSA-N 0 0 392.311 4.969 50 0 GJAARN CCOc1cccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c(=O)oc21 ZINC000002743899 570512975 /nfs/dbraw/zinc/51/29/75/570512975.db2.gz OENDYDNHGCSHGM-UHFFFAOYSA-N 0 0 395.308 4.602 50 0 GJAARN Cc1ccc(CNC(=O)N2CCc3nc(-c4ccc(C)cc4)sc3C2)cc1 ZINC000064660045 570513044 /nfs/dbraw/zinc/51/30/44/570513044.db2.gz PYZXZFGTAHHYCF-UHFFFAOYSA-N 0 0 377.513 4.695 50 0 GJAARN CC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)cc2s1 ZINC000032959350 570513169 /nfs/dbraw/zinc/51/31/69/570513169.db2.gz DZXSPVXPJCTTCO-UHFFFAOYSA-N 0 0 387.892 4.788 50 0 GJAARN CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccccc1Cl ZINC000064659081 570513204 /nfs/dbraw/zinc/51/32/04/570513204.db2.gz NICUROVDFWPRGU-UHFFFAOYSA-N 0 0 376.865 4.560 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)CC3CCCC3)CC1)N2 ZINC000064659567 570513264 /nfs/dbraw/zinc/51/32/64/570513264.db2.gz SMUHFKMYZNKYHD-UHFFFAOYSA-N 0 0 377.532 4.918 50 0 biogenic GJAARN CC[C@H]1CCc2c(sc(NC(=O)c3c(C)noc3C)c2C(=O)OC(C)C)C1 ZINC000002749566 570513596 /nfs/dbraw/zinc/51/35/96/570513596.db2.gz MGPNLNKDZNMOQW-ZDUSSCGKSA-N 0 0 390.505 4.685 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CC(=O)Nc3cccc(SC)c3)cc2s1 ZINC000032959726 570516996 /nfs/dbraw/zinc/51/69/96/570516996.db2.gz MSXNDZDNRJLMER-UHFFFAOYSA-N 0 0 399.541 4.938 50 0 GJAARN COC(=O)CCN(Cc1csc(C2CCCC2)n1)Cc1cccc(F)c1F ZINC000072305044 570517052 /nfs/dbraw/zinc/51/70/52/570517052.db2.gz JFERENLMTWCDOO-UHFFFAOYSA-N 0 0 394.487 4.644 50 0 GJAARN CCc1cccc(C)c1NC(=O)C1CCN(c2ncnc3oc(C)c(C)c32)CC1 ZINC000032959825 570517082 /nfs/dbraw/zinc/51/70/82/570517082.db2.gz TXCPULMMHBXMNN-UHFFFAOYSA-N 0 0 392.503 4.566 50 0 GJAARN CCN1c2cc(C(=O)NCc3ccc(C)cc3)ccc2Oc2ccccc2C1=O ZINC000064677302 570518689 /nfs/dbraw/zinc/51/86/89/570518689.db2.gz VVYJZQVEWJJMHG-UHFFFAOYSA-N 0 0 386.451 4.697 50 0 GJAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(c2ncnc3oc(C)c(C)c32)C1 ZINC000032959997 570519347 /nfs/dbraw/zinc/51/93/47/570519347.db2.gz CGAJFOZLDDPYIM-GOSISDBHSA-N 0 0 392.503 4.566 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccccc4C)n3)cc2)cc1 ZINC000002930870 570521671 /nfs/dbraw/zinc/52/16/71/570521671.db2.gz VILBUXMSOVOMLJ-UHFFFAOYSA-N 0 0 399.450 4.902 50 0 GJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000033270320 570522504 /nfs/dbraw/zinc/52/25/04/570522504.db2.gz DUNZWRZXRZNMBC-IBGZPJMESA-N 0 0 376.522 4.522 50 0 GJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1Br ZINC000033270623 570522671 /nfs/dbraw/zinc/52/26/71/570522671.db2.gz VQWKRSXIRQCHFW-AWEZNQCLSA-N 0 0 378.270 4.677 50 0 GJAARN CCSc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000005241129 570525462 /nfs/dbraw/zinc/52/54/62/570525462.db2.gz CLFDQZAJHNZRPB-UHFFFAOYSA-N 0 0 398.509 4.946 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)c2c1C ZINC000032960240 570527219 /nfs/dbraw/zinc/52/72/19/570527219.db2.gz LMJHIBMOEPHHIT-SFHVURJKSA-N 0 0 392.503 4.620 50 0 GJAARN CC[C@H](NC(=O)CSc1cccc2cccc(Cl)c21)c1noc(C)n1 ZINC000072309280 570530226 /nfs/dbraw/zinc/53/02/26/570530226.db2.gz WZYSTIZMMSDFBP-AWEZNQCLSA-N 0 0 375.881 4.544 50 0 GJAARN CC(=O)c1ccc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000032960660 570530694 /nfs/dbraw/zinc/53/06/94/570530694.db2.gz KJSKAAGVDOLKNS-XSXQVXRUSA-N 0 0 389.536 4.842 50 0 GJAARN Cc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1ccccc1Cl ZINC000003045080 570531098 /nfs/dbraw/zinc/53/10/98/570531098.db2.gz HEVPLADQHYSEDN-UHFFFAOYSA-N 0 0 396.922 4.653 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1 ZINC000032960690 570532020 /nfs/dbraw/zinc/53/20/20/570532020.db2.gz LJVOXXWSJHTDDM-UHFFFAOYSA-N 0 0 385.467 4.674 50 0 GJAARN Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747698 570532301 /nfs/dbraw/zinc/53/23/01/570532301.db2.gz AEJUWACMEGSXPG-QGZVFWFLSA-N 0 0 384.386 4.692 50 0 GJAARN CCc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000064747760 570532385 /nfs/dbraw/zinc/53/23/85/570532385.db2.gz KQGUZSUBWLOSJL-GOSISDBHSA-N 0 0 398.413 4.946 50 0 GJAARN Cc1ccc(C)c(Cn2ccnc2CN(CC(C)C)C(=O)c2ccccc2F)c1 ZINC000006690132 570533138 /nfs/dbraw/zinc/53/31/38/570533138.db2.gz XBGRFOOWDKMZJE-UHFFFAOYSA-N 0 0 393.506 4.986 50 0 GJAARN COc1c2ccc(Cl)cc2sc1C(=O)NCc1ccc(OC)cc1OC ZINC000064756794 570534718 /nfs/dbraw/zinc/53/47/18/570534718.db2.gz RQWFSTAHWRMZHR-UHFFFAOYSA-N 0 0 391.876 4.511 50 0 GJAARN O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000008722822 570537983 /nfs/dbraw/zinc/53/79/83/570537983.db2.gz YQNPZDIEFOWTTR-UHFFFAOYSA-N 0 0 384.435 4.544 50 0 GJAARN O=C(c1ccco1)N(Cc1csc(COc2cccc(Cl)c2)n1)C1CC1 ZINC000036106765 570542285 /nfs/dbraw/zinc/54/22/85/570542285.db2.gz BEFJXJCARUYIDZ-UHFFFAOYSA-N 0 0 388.876 4.773 50 0 GJAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1F ZINC000022766020 570543566 /nfs/dbraw/zinc/54/35/66/570543566.db2.gz ODBWGPHVVLUNBE-FQEVSTJZSA-N 0 0 398.478 4.556 50 0 GJAARN O=C(Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)cc1)c1ccccc1 ZINC000006706388 570545635 /nfs/dbraw/zinc/54/56/35/570545635.db2.gz LGIILRGICPVAHL-JOCHJYFZSA-N 0 0 392.455 4.857 50 0 GJAARN CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(F)(F)F)no3)s2)cc1 ZINC000072311490 570546110 /nfs/dbraw/zinc/54/61/10/570546110.db2.gz BBSBXOJNBFPJML-UHFFFAOYSA-N 0 0 397.378 4.776 50 0 GJAARN CC(C)c1nn(-c2ccc(F)cc2)c(C(C)C)c1C(=O)NCc1cccnc1 ZINC000006708902 570546091 /nfs/dbraw/zinc/54/60/91/570546091.db2.gz LLJRYYNYRNMTSO-UHFFFAOYSA-N 0 0 380.467 4.583 50 0 GJAARN CCCN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)C(CC)CC ZINC000006708775 570546157 /nfs/dbraw/zinc/54/61/57/570546157.db2.gz FVWRTEXCPKNCJL-UHFFFAOYSA-N 0 0 375.557 4.522 50 0 GJAARN Cc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1cnc2n1[C@H](C)CCC2 ZINC000034920139 570547745 /nfs/dbraw/zinc/54/77/45/570547745.db2.gz JUTOGSUCPDTFSX-DENIHFKCSA-N 0 0 387.527 4.927 50 0 GJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1C ZINC000006721208 570549969 /nfs/dbraw/zinc/54/99/69/570549969.db2.gz PVYPQPXYPLMFPP-UHFFFAOYSA-N 0 0 392.528 4.578 50 0 GJAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cc2c(s1)-c1ccccc1OC2 ZINC000005304419 570550728 /nfs/dbraw/zinc/55/07/28/570550728.db2.gz WWCQMEFNQWFPSS-UHFFFAOYSA-N 0 0 390.420 4.715 50 0 GJAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2cccc(Cl)c2)C2CC2)cc1 ZINC000006723339 570552331 /nfs/dbraw/zinc/55/23/31/570552331.db2.gz DXRXEFQPZOHGJJ-UHFFFAOYSA-N 0 0 379.891 4.698 50 0 GJAARN COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1Cl ZINC000035511458 570553993 /nfs/dbraw/zinc/55/39/93/570553993.db2.gz LDCPLNGMNIDDJW-OAHLLOKOSA-N 0 0 393.871 4.838 50 0 GJAARN Cc1cc(C)cc(C(=O)N2CCC(c3nc(-c4ccccc4C)no3)CC2)c1 ZINC000064818352 570554555 /nfs/dbraw/zinc/55/45/55/570554555.db2.gz OWXZFUCYKFWEFC-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)nc3cccc(C)n32)c1 ZINC000035616503 570556276 /nfs/dbraw/zinc/55/62/76/570556276.db2.gz RVKKDGJSRFSKEL-UHFFFAOYSA-N 0 0 375.428 4.776 50 0 GJAARN O=Cc1ccccc1N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035635857 570556856 /nfs/dbraw/zinc/55/68/56/570556856.db2.gz LBXJEXDRIISMSH-UHFFFAOYSA-N 0 0 392.449 4.689 50 0 GJAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Cl)c3Cl)NC(=O)CN21 ZINC000005342566 570557650 /nfs/dbraw/zinc/55/76/50/570557650.db2.gz IGNCSMAUGMLLMP-LCCNJJIFSA-N 0 0 387.310 4.939 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1)c1ccccc1 ZINC000009607397 570559972 /nfs/dbraw/zinc/55/99/72/570559972.db2.gz LYLROKZEQMXEAE-IBGZPJMESA-N 0 0 389.842 4.909 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2cc(C)ccc2[nH]1 ZINC000005357093 570560281 /nfs/dbraw/zinc/56/02/81/570560281.db2.gz OGBZFFGFTWTCNY-LLVKDONJSA-N 0 0 375.881 4.653 50 0 GJAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000064840079 570560523 /nfs/dbraw/zinc/56/05/23/570560523.db2.gz YXEMPWAKUOLZPO-UHFFFAOYSA-N 0 0 391.258 4.750 50 0 GJAARN Cc1cc(C)cc(NC(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000064840085 570560552 /nfs/dbraw/zinc/56/05/52/570560552.db2.gz JZEUWYUNLMOJGW-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN CCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(OC)c2)c1 ZINC000006740419 570562365 /nfs/dbraw/zinc/56/23/65/570562365.db2.gz UEPGFWMDQYPWGE-QFIPXVFZSA-N 0 0 398.528 4.993 50 0 GJAARN CCc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccc(C)cc3)s2)cc1 ZINC000006739841 570562834 /nfs/dbraw/zinc/56/28/34/570562834.db2.gz UURZYXXWCNWCPO-UHFFFAOYSA-N 0 0 397.525 4.636 50 0 GJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@H]1c1ccccc1 ZINC000036366340 570563892 /nfs/dbraw/zinc/56/38/92/570563892.db2.gz DJABWDIXJBYBJW-DHIUTWEWSA-N 0 0 395.462 4.717 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1ccccc1F ZINC000006747654 570565868 /nfs/dbraw/zinc/56/58/68/570565868.db2.gz JSLOSYMNFIVLQC-UHFFFAOYSA-N 0 0 387.838 4.988 50 0 GJAARN Cc1cc(C)c(OCC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)c(C)c1 ZINC000006747519 570565942 /nfs/dbraw/zinc/56/59/42/570565942.db2.gz HXNFJFBOATXVKO-UHFFFAOYSA-N 0 0 381.447 4.952 50 0 GJAARN COc1ccccc1NC(=O)c1nc(SCc2ccccc2C)ncc1Cl ZINC000006748148 570566384 /nfs/dbraw/zinc/56/63/84/570566384.db2.gz XBUMZEBIILCLBR-UHFFFAOYSA-N 0 0 399.903 4.992 50 0 GJAARN C[C@H](NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccccc1 ZINC000006750823 570569123 /nfs/dbraw/zinc/56/91/23/570569123.db2.gz NNNXUNHEIQHSRQ-KRWDZBQOSA-N 0 0 392.524 4.743 50 0 GJAARN CCc1ccccc1NC(=O)CSc1nnc(CC)n2c3ccsc3cc12 ZINC000006750713 570569161 /nfs/dbraw/zinc/56/91/61/570569161.db2.gz ZVQJEYISBLNRLL-UHFFFAOYSA-N 0 0 396.541 4.800 50 0 GJAARN C[C@@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000032975513 570570028 /nfs/dbraw/zinc/57/00/28/570570028.db2.gz MXRNWFYDHNIZQG-ZIAGYGMSSA-N 0 0 394.298 4.822 50 0 GJAARN COc1cccc(CNC(=O)COc2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000032985651 570573546 /nfs/dbraw/zinc/57/35/46/570573546.db2.gz BAVTUYWIUAFKPW-UHFFFAOYSA-N 0 0 398.462 4.606 50 0 GJAARN CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013495003 570574742 /nfs/dbraw/zinc/57/47/42/570574742.db2.gz OEMSKEGXPMNYJA-HNNXBMFYSA-N 0 0 393.487 4.924 50 0 GJAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000011664762 570578437 /nfs/dbraw/zinc/57/84/37/570578437.db2.gz XSWNLYRVDZVARQ-XMMPIXPASA-N 0 0 396.494 4.865 50 0 GJAARN CN(Cc1ccccn1)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl ZINC000011664918 570578453 /nfs/dbraw/zinc/57/84/53/570578453.db2.gz UJAQFIPGMATDAI-FQEVSTJZSA-N 0 0 380.875 4.621 50 0 GJAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(F)cc2)cc1 ZINC000036246245 570580852 /nfs/dbraw/zinc/58/08/52/570580852.db2.gz RCTQXIDEPYOMOH-UHFFFAOYSA-N 0 0 391.414 4.808 50 0 GJAARN COc1cccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2F)c1 ZINC000036247873 570581630 /nfs/dbraw/zinc/58/16/30/570581630.db2.gz ZZIRVQUXDRGSHO-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN COc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccc(C)cc2)c1 ZINC000036248047 570581946 /nfs/dbraw/zinc/58/19/46/570581946.db2.gz YGRSGTSGQBKDGR-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN Cc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccccc2F)c1 ZINC000036247987 570582029 /nfs/dbraw/zinc/58/20/29/570582029.db2.gz HZVOQWFJMCDHNT-UHFFFAOYSA-N 0 0 387.451 4.977 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2c2cc(C)c(Br)cn2)c1 ZINC000225517995 570583128 /nfs/dbraw/zinc/58/31/28/570583128.db2.gz HEOQJTJLXHRGPS-INIZCTEOSA-N 0 0 377.282 4.511 50 0 GJAARN CCc1c2cc(C)c(C)cc2oc1C(=O)Nc1cccc(S(=O)(=O)CC)c1 ZINC000526052310 570589292 /nfs/dbraw/zinc/58/92/92/570589292.db2.gz WSRXJBAPKRPGTP-UHFFFAOYSA-N 0 0 385.485 4.658 50 0 GJAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000005422589 570589676 /nfs/dbraw/zinc/58/96/76/570589676.db2.gz IFUOXUFEMCLUAE-UHFFFAOYSA-N 0 0 376.243 4.706 50 0 GJAARN O=C(Nc1cc(F)ccc1F)c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1 ZINC000064919518 570590551 /nfs/dbraw/zinc/59/05/51/570590551.db2.gz MIZSPLBXAOIZOG-UHFFFAOYSA-N 0 0 394.356 4.604 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002626234 570591054 /nfs/dbraw/zinc/59/10/54/570591054.db2.gz SBGWQHJKGSEOTG-UHFFFAOYSA-N 0 0 397.434 4.563 50 0 GJAARN CN(Cc1nccs1)C(=O)C[C@@H](c1cccc(O)c1)c1ccccc1Cl ZINC000039478951 570592160 /nfs/dbraw/zinc/59/21/60/570592160.db2.gz CSUGHXPIKZBLHU-KRWDZBQOSA-N 0 0 386.904 4.683 50 0 GJAARN O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1ccccc1Br ZINC000097938548 570598474 /nfs/dbraw/zinc/59/84/74/570598474.db2.gz BMLWWBICTCEIPS-UHFFFAOYSA-N 0 0 388.652 4.812 50 0 GJAARN Cc1nn([C@@H](C)C(=O)Nc2ccccc2Cl)c(=O)c2c3ccccc3sc21 ZINC000006799064 570598841 /nfs/dbraw/zinc/59/88/41/570598841.db2.gz SIUJGFQTSDYAIE-LBPRGKRZSA-N 0 0 397.887 4.773 50 0 GJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1OC(F)F ZINC000003291652 570599949 /nfs/dbraw/zinc/59/99/49/570599949.db2.gz NXZBCKZLOWMFAB-NTUHNPAUSA-N 0 0 384.165 4.939 50 0 GJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)OCc1ccc(Cl)cc1 ZINC000003275383 570600719 /nfs/dbraw/zinc/60/07/19/570600719.db2.gz QLZMIOVXCNIXMQ-UHFFFAOYSA-N 0 0 395.267 4.879 50 0 GJAARN Cc1nn(Cc2ccccc2)c2sc(C(=O)OCc3ccccc3F)cc12 ZINC000003309339 570602405 /nfs/dbraw/zinc/60/24/05/570602405.db2.gz RVNZJFFQFCSPHB-UHFFFAOYSA-N 0 0 380.444 4.951 50 0 GJAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000003370703 570604896 /nfs/dbraw/zinc/60/48/96/570604896.db2.gz AQFGBWWCCWSEKS-PXNSSMCTSA-N 0 0 394.515 4.899 50 0 GJAARN Cc1ccc(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1C ZINC000003338741 570605413 /nfs/dbraw/zinc/60/54/13/570605413.db2.gz JWRSDHAJZISJDI-UHFFFAOYSA-N 0 0 377.893 4.621 50 0 GJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)c1C ZINC000003340718 570605747 /nfs/dbraw/zinc/60/57/47/570605747.db2.gz RCVXWTRMMPKVAL-UHFFFAOYSA-N 0 0 396.516 4.849 50 0 GJAARN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(-c2ccccc2)cc1 ZINC000005477986 570608188 /nfs/dbraw/zinc/60/81/88/570608188.db2.gz URRXOTBUZRATHC-ZMNABIIRSA-N 0 0 380.491 4.991 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)N(C)C3CCCCC3)s2)c1C ZINC000003463439 570609080 /nfs/dbraw/zinc/60/90/80/570609080.db2.gz MKIVISLHAPZJPR-UHFFFAOYSA-N 0 0 390.578 4.782 50 0 GJAARN CCCCCCNC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000006808848 570610473 /nfs/dbraw/zinc/61/04/73/570610473.db2.gz BGCUUHIOVJVQTQ-UHFFFAOYSA-N 0 0 378.520 4.561 50 0 GJAARN COc1ccc(C(=O)N2CCC[C@@H](OCc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000036314423 570611328 /nfs/dbraw/zinc/61/13/28/570611328.db2.gz ZNRZLJDKEVLFBD-LJQANCHMSA-N 0 0 393.405 4.535 50 0 GJAARN O=C(COc1ccccc1)Oc1cc2sc(=O)oc2c(-c2ccccc2)c1 ZINC000006809643 570611929 /nfs/dbraw/zinc/61/19/29/570611929.db2.gz CHPPUCFNHGPTEC-UHFFFAOYSA-N 0 0 378.405 4.506 50 0 GJAARN O=C(Nc1ccccc1)N1CCC[C@H](OCc2cccc(C(F)(F)F)c2)C1 ZINC000036315870 570614372 /nfs/dbraw/zinc/61/43/72/570614372.db2.gz VKDFPDHRNULPMQ-SFHVURJKSA-N 0 0 378.394 4.919 50 0 GJAARN O=C(COc1ccccc1F)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000033004014 570618054 /nfs/dbraw/zinc/61/80/54/570618054.db2.gz KIUVXDKLIRRVOP-UHFFFAOYSA-N 0 0 380.350 4.791 50 0 GJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(C)c(C)c3)cc2OC)s1 ZINC000033008421 570619743 /nfs/dbraw/zinc/61/97/43/570619743.db2.gz XZCVLBPTCJVHSP-UHFFFAOYSA-N 0 0 398.488 4.914 50 0 GJAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)c1C ZINC000012195226 570622598 /nfs/dbraw/zinc/62/25/98/570622598.db2.gz OLUCXESUFISVLE-HXUWFJFHSA-N 0 0 381.520 4.674 50 0 GJAARN Brc1ccc(C2=NN[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000005513782 570622960 /nfs/dbraw/zinc/62/29/60/570622960.db2.gz HANQTJVUABJQQC-AWEZNQCLSA-N 0 0 380.083 4.650 50 0 GJAARN Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3ccccn3)n2)cc1-c1ncco1 ZINC000151993348 570623034 /nfs/dbraw/zinc/62/30/34/570623034.db2.gz NMQPEXULMVXQJP-UHFFFAOYSA-N 0 0 387.443 4.606 50 0 GJAARN Cc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004592918 570623171 /nfs/dbraw/zinc/62/31/71/570623171.db2.gz OMBHGVXIPDFHQD-FQEVSTJZSA-N 0 0 378.859 4.758 50 0 GJAARN COc1cc2c(cc1NC(=O)N1CCC[C@@H]1c1cc[nH]n1)oc1ccccc12 ZINC000225838102 570624344 /nfs/dbraw/zinc/62/43/44/570624344.db2.gz JZPBLJLIGXAYGZ-QGZVFWFLSA-N 0 0 376.416 4.687 50 0 GJAARN Cc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccccc4)c3)n2)cc1 ZINC000033012350 570625793 /nfs/dbraw/zinc/62/57/93/570625793.db2.gz BWXZJTTWGIZYSF-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000006828538 570626547 /nfs/dbraw/zinc/62/65/47/570626547.db2.gz OUVQIFYZXYXSGJ-UHFFFAOYSA-N 0 0 395.469 4.502 50 0 GJAARN Cc1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 ZINC000033012835 570627479 /nfs/dbraw/zinc/62/74/79/570627479.db2.gz YIKNTOTVPAUGKG-UHFFFAOYSA-N 0 0 385.423 4.876 50 0 GJAARN Cc1noc(C)c1COc1ccc(CNc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000119364688 570629197 /nfs/dbraw/zinc/62/91/97/570629197.db2.gz QCUFPKLOLZBLCI-UHFFFAOYSA-N 0 0 380.444 4.990 50 0 GJAARN COc1cccc([C@@H]2c3cccn3CCCN2Cc2cc(OC)ccc2OC)c1 ZINC000036348341 570629767 /nfs/dbraw/zinc/62/97/67/570629767.db2.gz IGPPMVCZBKXJRU-XMMPIXPASA-N 0 0 392.499 4.509 50 0 GJAARN O=C(N[C@@H](CCO)c1ccccc1F)OCC1c2ccccc2-c2ccccc21 ZINC000044198174 570632730 /nfs/dbraw/zinc/63/27/30/570632730.db2.gz HDJLYEHLFBRUOP-QHCPKHFHSA-N 0 0 391.442 4.788 50 0 GJAARN O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2ccccn2)cs1 ZINC000006831463 570634642 /nfs/dbraw/zinc/63/46/42/570634642.db2.gz MNFPZZPOWGRIIO-UHFFFAOYSA-N 0 0 387.464 4.890 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1Nc1ccccc1 ZINC000006831757 570635649 /nfs/dbraw/zinc/63/56/49/570635649.db2.gz OYYCFJWRKBWVGT-IEBWSBKVSA-N 0 0 380.488 4.767 50 0 GJAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1ncn2-c1ccc(Br)cc1 ZINC000036357065 570637441 /nfs/dbraw/zinc/63/74/41/570637441.db2.gz KUYOVPSUWOXTKB-HNNXBMFYSA-N 0 0 398.260 4.767 50 0 GJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(C)n3)cs2)c1C ZINC000033019402 570639550 /nfs/dbraw/zinc/63/95/50/570639550.db2.gz BCAREBZRJMSIBV-UHFFFAOYSA-N 0 0 397.548 4.563 50 0 GJAARN O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccnc1Cl ZINC000012389515 570639573 /nfs/dbraw/zinc/63/95/73/570639573.db2.gz FXQMUYOKLNMNTF-UHFFFAOYSA-N 0 0 376.799 4.761 50 0 GJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccccc2OC(C)C)cc1 ZINC000036359162 570640632 /nfs/dbraw/zinc/64/06/32/570640632.db2.gz QWFIHMBAORMGFZ-SFHVURJKSA-N 0 0 377.444 4.792 50 0 GJAARN CN(C)c1ccc(C(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1 ZINC000033019873 570645692 /nfs/dbraw/zinc/64/56/92/570645692.db2.gz FVXFDAPLYJIRHL-UHFFFAOYSA-N 0 0 384.483 4.666 50 0 GJAARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)Cc3cccs3)ccc21 ZINC000033020555 570645988 /nfs/dbraw/zinc/64/59/88/570645988.db2.gz HTLZAYXQDZJYAX-UHFFFAOYSA-N 0 0 375.497 4.601 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)CCc3c[nH]c4ccccc34)s2)cs1 ZINC000012396571 570646035 /nfs/dbraw/zinc/64/60/35/570646035.db2.gz QUHAWYWVXMRWBN-UHFFFAOYSA-N 0 0 395.553 4.953 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)c1 ZINC000033020566 570646179 /nfs/dbraw/zinc/64/61/79/570646179.db2.gz MNMCEYHRWUGARQ-UHFFFAOYSA-N 0 0 399.494 4.684 50 0 GJAARN O=C(c1cc2ccccc2o1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000036369979 570646873 /nfs/dbraw/zinc/64/68/73/570646873.db2.gz NOHZIVRQGFEJTL-UHFFFAOYSA-N 0 0 395.256 4.875 50 0 biogenic GJAARN Cc1ccc(CNC(=O)c2cnn3c2nccc3-c2ccc(C(C)C)cc2)cc1 ZINC000065026668 570649917 /nfs/dbraw/zinc/64/99/17/570649917.db2.gz QRUDLFCOUWFKSB-UHFFFAOYSA-N 0 0 384.483 4.758 50 0 GJAARN Cc1ccc(C2(c3noc(CN(C)CC[C@H]4CCCCO4)n3)CCCC2)cc1 ZINC000012385599 570650312 /nfs/dbraw/zinc/65/03/12/570650312.db2.gz DQHZWRJAAWYWKP-HXUWFJFHSA-N 0 0 383.536 4.629 50 0 GJAARN COc1cccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)c1OC ZINC000065032277 570652493 /nfs/dbraw/zinc/65/24/93/570652493.db2.gz YMEWBHJJWWZZKL-UHFFFAOYSA-N 0 0 379.441 4.853 50 0 GJAARN CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000012413596 570657034 /nfs/dbraw/zinc/65/70/34/570657034.db2.gz WPTARZQBSGOZSK-LLVKDONJSA-N 0 0 397.258 4.968 50 0 GJAARN COc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)C1=NC[C@H](C)S1 ZINC000012418127 570657344 /nfs/dbraw/zinc/65/73/44/570657344.db2.gz NLQXDPTXESXYCX-LBPRGKRZSA-N 0 0 375.881 4.878 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000004602275 570657465 /nfs/dbraw/zinc/65/74/65/570657465.db2.gz HHLWYPFREURVHQ-ACJLOTCBSA-N 0 0 397.475 4.550 50 0 GJAARN O=C(c1cscn1)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012430793 570659080 /nfs/dbraw/zinc/65/90/80/570659080.db2.gz HIMFRIDNGSVVAR-IBGZPJMESA-N 0 0 376.481 4.545 50 0 GJAARN COc1ccc([C@H](CC(=O)N(C)Cc2nc(C)cs2)c2ccccc2)cc1 ZINC000012431218 570659714 /nfs/dbraw/zinc/65/97/14/570659714.db2.gz HZXRAPSPVNKETJ-HXUWFJFHSA-N 0 0 380.513 4.641 50 0 GJAARN Cc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)cc1C ZINC000169759621 570662450 /nfs/dbraw/zinc/66/24/50/570662450.db2.gz PRNDWUKTKMEEBP-FQEVSTJZSA-N 0 0 381.863 4.677 50 0 GJAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2Cl)C(=O)NC(C)C)C1 ZINC000006872633 570664483 /nfs/dbraw/zinc/66/44/83/570664483.db2.gz QZHCKZFAAOWYPK-SFHVURJKSA-N 0 0 399.922 4.762 50 0 GJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccsc1-c1nc(C2CC2)no1 ZINC000206668386 570664968 /nfs/dbraw/zinc/66/49/68/570664968.db2.gz UKQDWYYAEWPYPB-UHFFFAOYSA-N 0 0 393.390 4.876 50 0 GJAARN Cc1cccc(N2C(=N)SC(=Cc3c[nH]nc3-c3ccc(F)cc3)C2=O)c1 ZINC000005602744 570668176 /nfs/dbraw/zinc/66/81/76/570668176.db2.gz RDCWSANSYNHYCX-NFFGIOBBSA-N 0 0 378.432 4.580 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1Cl ZINC000065059124 570668331 /nfs/dbraw/zinc/66/83/31/570668331.db2.gz HJOWLPVJBGBJQG-QFIPXVFZSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3cccc(C)c3C)C2)cc1 ZINC000065059019 570668333 /nfs/dbraw/zinc/66/83/33/570668333.db2.gz WTSVIBURYNERGJ-DEOSSOPVSA-N 0 0 393.531 4.562 50 0 GJAARN CCn1c2ccccc2c2cc(/C=c3\sc4nc5ccccc5n4c3=O)ccc21 ZINC000005611096 570668507 /nfs/dbraw/zinc/66/85/07/570668507.db2.gz HPRJGSBGCALBBX-HMAPJEAMSA-N 0 0 395.487 4.585 50 0 GJAARN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CC(F)(F)F)cc1 ZINC000012456940 570669253 /nfs/dbraw/zinc/66/92/53/570669253.db2.gz CUFCMIUPLMJLOI-INIZCTEOSA-N 0 0 379.426 4.616 50 0 GJAARN CCOc1cc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)ccc1OC ZINC000012464413 570671035 /nfs/dbraw/zinc/67/10/35/570671035.db2.gz SMBYUKVONDNFIQ-GOSISDBHSA-N 0 0 399.556 4.911 50 0 GJAARN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(cccc3C(C)C)s2)on1 ZINC000012422354 570673070 /nfs/dbraw/zinc/67/30/70/570673070.db2.gz JANXVGWBIWQRKS-AWEZNQCLSA-N 0 0 385.489 4.542 50 0 GJAARN CCOc1ccc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2O)cc1 ZINC000012421858 570673229 /nfs/dbraw/zinc/67/32/29/570673229.db2.gz KMUWIRAFWNILON-UHFFFAOYSA-N 0 0 376.334 4.610 50 0 GJAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004341626 570676476 /nfs/dbraw/zinc/67/64/76/570676476.db2.gz QCDGZQBEMYYWKX-UHFFFAOYSA-N 0 0 398.850 4.583 50 0 GJAARN CSc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000006881611 570676520 /nfs/dbraw/zinc/67/65/20/570676520.db2.gz AHQJQASXMWPVHQ-UHFFFAOYSA-N 0 0 386.480 4.909 50 0 GJAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C(C)(C)C)n2)cc1 ZINC000012442144 570677509 /nfs/dbraw/zinc/67/75/09/570677509.db2.gz CKYABGDSDFCULI-UHFFFAOYSA-N 0 0 384.505 4.688 50 0 GJAARN O=C(CCc1ccccc1)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000013770569 570677612 /nfs/dbraw/zinc/67/76/12/570677612.db2.gz DPFLZBYXZWVWFX-QPTUXGOLSA-N 0 0 381.491 4.653 50 0 GJAARN CCn1c(/C=C/c2cccs2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 ZINC000007503066 570677872 /nfs/dbraw/zinc/67/78/72/570677872.db2.gz NETAUKXPTBJBPT-VMPITWQZSA-N 0 0 386.420 4.582 50 0 GJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NC3CCCCC3)n2)cc1 ZINC000032579123 570678123 /nfs/dbraw/zinc/67/81/23/570678123.db2.gz XOLYGBRYEHNMDQ-UHFFFAOYSA-N 0 0 391.471 4.687 50 0 GJAARN Cc1ccc(C(=O)[C@@H](C)Sc2nccn(-c3ccc(Cl)cc3)c2=O)cc1C ZINC000033039800 570678591 /nfs/dbraw/zinc/67/85/91/570678591.db2.gz RIROHXCCJLAVRH-OAHLLOKOSA-N 0 0 398.915 4.866 50 0 GJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000032603639 570678784 /nfs/dbraw/zinc/67/87/84/570678784.db2.gz CEYYQVAWCRVAEA-UHFFFAOYSA-N 0 0 378.708 4.858 50 0 GJAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Br)o2)CCS1 ZINC000219280452 570679189 /nfs/dbraw/zinc/67/91/89/570679189.db2.gz RPBLJAUHKJCZAE-HNNXBMFYSA-N 0 0 380.307 4.671 50 0 GJAARN CC(C)CN1C(=S)N=NC1COc1ccc2cc(Br)ccc2c1 ZINC000006883846 570679232 /nfs/dbraw/zinc/67/92/32/570679232.db2.gz AIVWDGANJJRBTL-UHFFFAOYSA-N 0 0 392.322 4.718 50 0 GJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NCCc1nc(-c2ccccc2)no1 ZINC000032593731 570679573 /nfs/dbraw/zinc/67/95/73/570679573.db2.gz UQIJVDSCOMUERU-UHFFFAOYSA-N 0 0 395.846 4.726 50 0 GJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000238899636 570679930 /nfs/dbraw/zinc/67/99/30/570679930.db2.gz GWWNVPCADUDGNK-INIZCTEOSA-N 0 0 390.270 5.171 50 0 GJAARN Cn1c2ccccc2nc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000008719120 570681303 /nfs/dbraw/zinc/68/13/03/570681303.db2.gz HBDUTGNFLRCIGQ-UHFFFAOYSA-N 0 0 399.825 4.976 50 0 GJAARN CSc1cccc(NC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000169772000 570683847 /nfs/dbraw/zinc/68/38/47/570683847.db2.gz CKKVEDXNWRHQID-UHFFFAOYSA-N 0 0 379.489 4.647 50 0 GJAARN O=C(Nc1ccc(C(F)(F)F)oc1=O)c1ccc(Oc2ccccc2)cc1 ZINC000006890060 570683975 /nfs/dbraw/zinc/68/39/75/570683975.db2.gz JYTVSWVLCKFIJL-UHFFFAOYSA-N 0 0 375.302 4.703 50 0 GJAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1cn(C2CC2)c(=O)c2ccccc12 ZINC000169774030 570685482 /nfs/dbraw/zinc/68/54/82/570685482.db2.gz JDUZQIVUROWASW-JOCHJYFZSA-N 0 0 397.478 4.625 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000169774036 570685520 /nfs/dbraw/zinc/68/55/20/570685520.db2.gz KJBXLBDSFWUAHB-HSZRJFAPSA-N 0 0 398.510 4.707 50 0 GJAARN Cc1cc2oc(=O)cc(CNc3cc4c(cc3F)NC(=O)CC4)c2cc1C(C)C ZINC000155845209 570687989 /nfs/dbraw/zinc/68/79/89/570687989.db2.gz CUDQRBCSBNUXCQ-UHFFFAOYSA-N 0 0 394.446 4.861 50 0 GJAARN Cc1oc(-c2ccccc2Cl)nc1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055228617 570688372 /nfs/dbraw/zinc/68/83/72/570688372.db2.gz MBHKUPBQPLGWAN-SFHVURJKSA-N 0 0 397.906 4.880 50 0 GJAARN CC(=O)c1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)cs1 ZINC000012594328 570688690 /nfs/dbraw/zinc/68/86/90/570688690.db2.gz WFJRFBNRKLKLNK-LJQANCHMSA-N 0 0 393.512 4.561 50 0 GJAARN Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000012596185 570689134 /nfs/dbraw/zinc/68/91/34/570689134.db2.gz OHOFQXVKBFHREP-OAHLLOKOSA-N 0 0 390.936 4.981 50 0 GJAARN Cc1ccsc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000012596181 570689316 /nfs/dbraw/zinc/68/93/16/570689316.db2.gz OHOFQXVKBFHREP-HNNXBMFYSA-N 0 0 390.936 4.981 50 0 GJAARN Cc1cnn(Cc2cccc(F)c2)c1NC(=O)c1c(F)ccc(C)c1Cl ZINC000055327036 570691368 /nfs/dbraw/zinc/69/13/68/570691368.db2.gz DHXNJLNPBOPYTF-UHFFFAOYSA-N 0 0 375.806 4.732 50 0 GJAARN CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](c2ccncc2)c2ccccc2C)c1 ZINC000055359349 570692217 /nfs/dbraw/zinc/69/22/17/570692217.db2.gz XGYUGWZCVKRJOZ-OAQYLSRUSA-N 0 0 393.874 4.521 50 0 GJAARN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cnn(-c3ccc(C)cc3)c2)C1 ZINC000055368542 570692711 /nfs/dbraw/zinc/69/27/11/570692711.db2.gz YGLIJFMTKOZJDB-LJQANCHMSA-N 0 0 379.529 4.646 50 0 GJAARN O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1ccc(F)cc1Cl ZINC000207965293 570695495 /nfs/dbraw/zinc/69/54/95/570695495.db2.gz WSGIWDNAHPWGFM-MRXNPFEDSA-N 0 0 381.881 4.614 50 0 GJAARN O=C(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)C1CCCCC1 ZINC000065096386 570695636 /nfs/dbraw/zinc/69/56/36/570695636.db2.gz FWGRHZUQVVEAQN-UHFFFAOYSA-N 0 0 387.443 4.589 50 0 GJAARN Cc1ccccc1CN(C)[C@@H](c1nnnn1-c1ccccc1C)c1ccccc1 ZINC000055447622 570695658 /nfs/dbraw/zinc/69/56/58/570695658.db2.gz ISBJXJMWZQGYLO-HSZRJFAPSA-N 0 0 383.499 4.501 50 0 GJAARN O=C(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(F)cc1Cl ZINC000207969889 570696121 /nfs/dbraw/zinc/69/61/21/570696121.db2.gz ZMNIEJIKOPHFCV-GOSISDBHSA-N 0 0 375.852 4.552 50 0 GJAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C3CCCC3)c2C(=O)[O-])cc1 ZINC000006901309 570697028 /nfs/dbraw/zinc/69/70/28/570697028.db2.gz LIYFDUHHKRHVFO-UHFFFAOYSA-N 0 0 392.499 4.737 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc3ccccn32)c2ccccc2)c1 ZINC000006903611 570697499 /nfs/dbraw/zinc/69/74/99/570697499.db2.gz PWWGMAVRCYTWJJ-FQEVSTJZSA-N 0 0 388.496 4.818 50 0 GJAARN Cc1ncc(NC(=O)c2ccccc2F)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615950 570698134 /nfs/dbraw/zinc/69/81/34/570698134.db2.gz RPNCUWQBJZSNSZ-UHFFFAOYSA-N 0 0 396.422 4.835 50 0 GJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1Cl ZINC000065114679 570699885 /nfs/dbraw/zinc/69/98/85/570699885.db2.gz XZIWULKRVFPZBV-UHFFFAOYSA-N 0 0 386.858 4.956 50 0 GJAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NC[C@H]3CCCO3)cc12 ZINC000006913643 570700503 /nfs/dbraw/zinc/70/05/03/570700503.db2.gz DHXOHDPLJCCHNX-OAQYLSRUSA-N 0 0 376.500 4.524 50 0 GJAARN CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)c2ccc(F)cc2)C1 ZINC000169793788 570702211 /nfs/dbraw/zinc/70/22/11/570702211.db2.gz IDADXDLDRGHBTJ-WEYGHZABSA-N 0 0 396.506 4.642 50 0 GJAARN COc1ccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cc1 ZINC000014706109 570706802 /nfs/dbraw/zinc/70/68/02/570706802.db2.gz JYEUKCWGIGDBIV-UHFFFAOYSA-N 0 0 380.517 4.559 50 0 GJAARN CCc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000032622211 570707099 /nfs/dbraw/zinc/70/70/99/570707099.db2.gz HTTZKRAIEQTCAV-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)c1 ZINC000065135421 570709451 /nfs/dbraw/zinc/70/94/51/570709451.db2.gz MXUOLWGMPZZEMF-LJQANCHMSA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4cc(F)ccc4F)C3)n2)cc1 ZINC000065135496 570709504 /nfs/dbraw/zinc/70/95/04/570709504.db2.gz SUCSTPOPIAZABN-KRWDZBQOSA-N 0 0 393.437 4.750 50 0 GJAARN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccccc4F)C3)n2)cc1 ZINC000065148092 570710409 /nfs/dbraw/zinc/71/04/09/570710409.db2.gz DVUFIFAGICXZIW-KRWDZBQOSA-N 0 0 390.462 4.688 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4C)n3)C2)cc1 ZINC000065148234 570710482 /nfs/dbraw/zinc/71/04/82/570710482.db2.gz XKLVLGIQWGWNQP-HXUWFJFHSA-N 0 0 386.499 4.857 50 0 GJAARN O=C(c1cn(C2CCCCCC2)nn1)N1CCCC[C@H]1CCc1ccccc1 ZINC000012758161 570710658 /nfs/dbraw/zinc/71/06/58/570710658.db2.gz DIBVWHJDOZKJPY-FQEVSTJZSA-N 0 0 380.536 4.801 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1 ZINC000012781928 570712347 /nfs/dbraw/zinc/71/23/47/570712347.db2.gz YGZTUDXISPGRJA-UHFFFAOYSA-N 0 0 377.375 4.598 50 0 GJAARN CCCc1sc(C(=O)N[C@H](Cn2cccn2)C(C)(C)C)cc1Br ZINC000006936848 570712352 /nfs/dbraw/zinc/71/23/52/570712352.db2.gz ZKNWCKJJBDLITK-OAHLLOKOSA-N 0 0 398.370 4.504 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(I)cc1 ZINC000001168263 570712792 /nfs/dbraw/zinc/71/27/92/570712792.db2.gz SGXASSZHWPWASO-UHFFFAOYSA-N 0 0 391.130 4.562 50 0 GJAARN CC(C)(C)c1cc(CCC(=O)NC2CCSCC2)cc(C(C)(C)C)c1O ZINC000058166120 570713482 /nfs/dbraw/zinc/71/34/82/570713482.db2.gz KESWEWOPFDDLBT-UHFFFAOYSA-N 0 0 377.594 4.932 50 0 GJAARN Cc1cc(-c2csc(NC(=O)c3ccncc3)n2)c(C)n1Cc1ccccc1 ZINC000006944261 570715790 /nfs/dbraw/zinc/71/57/90/570715790.db2.gz LMZPTKYSBOZPCJ-UHFFFAOYSA-N 0 0 388.496 4.924 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cnccn1 ZINC000012806999 570718807 /nfs/dbraw/zinc/71/88/07/570718807.db2.gz SKIQDXSNGQTTID-UHFFFAOYSA-N 0 0 375.863 4.619 50 0 GJAARN CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cc(C)cc(C)c1 ZINC000041076940 570719055 /nfs/dbraw/zinc/71/90/55/570719055.db2.gz ACZICFKLCGUIRW-UHFFFAOYSA-N 0 0 377.488 4.816 50 0 GJAARN CC(C)Cn1cc(CCNC(=O)c2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000065164031 570720225 /nfs/dbraw/zinc/72/02/25/570720225.db2.gz DJZQIBLEIAMNOH-UHFFFAOYSA-N 0 0 389.421 4.684 50 0 GJAARN CCSc1ccc(-c2cccc(NC(=O)NCc3ccc(F)cc3)c2)nn1 ZINC000065185959 570724496 /nfs/dbraw/zinc/72/44/96/570724496.db2.gz MQTWCNIEFNGNPE-UHFFFAOYSA-N 0 0 382.464 4.716 50 0 GJAARN CCSc1ccc(-c2cccc(NC(=O)NCc3ccc(C)cc3)c2)nn1 ZINC000065185955 570724499 /nfs/dbraw/zinc/72/44/99/570724499.db2.gz VBRNTTNQEBBJNH-UHFFFAOYSA-N 0 0 378.501 4.886 50 0 GJAARN Cc1ccccc1OCCn1c2ccccc2nc1NC(=O)c1cccs1 ZINC000000924108 570726007 /nfs/dbraw/zinc/72/60/07/570726007.db2.gz PIKLXZFORCQPLP-UHFFFAOYSA-N 0 0 377.469 4.738 50 0 GJAARN COc1cc(Br)c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000004133271 570726742 /nfs/dbraw/zinc/72/67/42/570726742.db2.gz DYVHXAKSIZZXDR-UHFFFAOYSA-N 0 0 380.326 4.525 50 0 GJAARN Cc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)c4)n23)cc1 ZINC000000937510 570727654 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GJAARN Cc1cccc(NC(=O)CN(C)C(=O)c2sc3ccccc3c2Cl)c1C ZINC000018041305 570798253 /nfs/dbraw/zinc/79/82/53/570798253.db2.gz HIILTIJRSOWQGZ-UHFFFAOYSA-N 0 0 386.904 4.882 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000005867977 570799435 /nfs/dbraw/zinc/79/94/35/570799435.db2.gz WGAFQWSPMGZBMZ-CQSZACIVSA-N 0 0 376.485 4.933 50 0 GJAARN c1coc(-c2nnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)c1 ZINC000005866507 570799486 /nfs/dbraw/zinc/79/94/86/570799486.db2.gz CTSDNOCXAUACLK-UHFFFAOYSA-N 0 0 397.460 4.979 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000023011211 570800705 /nfs/dbraw/zinc/80/07/05/570800705.db2.gz WGSZMFNOOXILJA-UHFFFAOYSA-N 0 0 375.428 4.657 50 0 GJAARN CC(C)CCn1c(CCCC(=O)N[C@H](C)c2ccccc2)nc2cccnc21 ZINC000033072404 570803688 /nfs/dbraw/zinc/80/36/88/570803688.db2.gz AYTRSKURPNXHOY-GOSISDBHSA-N 0 0 378.520 4.678 50 0 GJAARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N(C)C1=S ZINC000005926643 570804633 /nfs/dbraw/zinc/80/46/33/570804633.db2.gz KBBTVOGOFRAXMR-NTEUORMPSA-N 0 0 381.284 4.673 50 0 GJAARN COc1ccc(-n2ccnc2S[C@H](C)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000007138095 570804795 /nfs/dbraw/zinc/80/47/95/570804795.db2.gz OMYJSNDRJLSZSB-CQSZACIVSA-N 0 0 377.469 4.726 50 0 GJAARN CC(C)c1cc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)c(O)c(C(C)C)c1 ZINC000032776006 570806599 /nfs/dbraw/zinc/80/65/99/570806599.db2.gz IBMHGPSTPAKXOZ-NRFANRHFSA-N 0 0 383.488 4.625 50 0 GJAARN CC[C@H](Sc1nc(-c2ccc(O)cc2)c(C)[nH]1)C(=O)N[C@H](C)c1ccccc1 ZINC000013945135 570807356 /nfs/dbraw/zinc/80/73/56/570807356.db2.gz RTJZXYQOJIUBJC-KUHUBIRLSA-N 0 0 395.528 4.839 50 0 GJAARN C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1c[nH]c2ccccc21 ZINC000007161960 570808822 /nfs/dbraw/zinc/80/88/22/570808822.db2.gz UDKFMXDFIAGWKZ-LLVKDONJSA-N 0 0 384.486 4.588 50 0 GJAARN Cc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccncc2)cc1C ZINC000004491093 570809642 /nfs/dbraw/zinc/80/96/42/570809642.db2.gz HNDAABHKASQCNL-IBGZPJMESA-N 0 0 378.501 4.550 50 0 GJAARN COc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1OC ZINC000004659472 570809638 /nfs/dbraw/zinc/80/96/38/570809638.db2.gz YGMPTHCHVWGPKC-NTCAYCPXSA-N 0 0 384.435 4.573 50 0 GJAARN CCN1CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 ZINC000005689003 570810289 /nfs/dbraw/zinc/81/02/89/570810289.db2.gz ILXQNGFNXQWBMR-UHFFFAOYSA-N 0 0 391.487 4.523 50 0 GJAARN CCc1cccc(C)c1NC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106204 570811224 /nfs/dbraw/zinc/81/12/24/570811224.db2.gz ZMTIKUHBCTWCAM-UHFFFAOYSA-N 0 0 388.515 4.598 50 0 GJAARN CCN(CC)C(=S)S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000005988001 570812177 /nfs/dbraw/zinc/81/21/77/570812177.db2.gz INOYCZBWZWWKSJ-QGZVFWFLSA-N 0 0 376.522 4.865 50 0 GJAARN CC1(C)Cc2nc(NC(=O)CCSc3ccc(F)cc3)sc2C(=O)C1 ZINC000004496810 570812865 /nfs/dbraw/zinc/81/28/65/570812865.db2.gz SAUPJMFBGJSFBY-UHFFFAOYSA-N 0 0 378.494 4.558 50 0 GJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nc2c1 ZINC000006000389 570813023 /nfs/dbraw/zinc/81/30/23/570813023.db2.gz YCEHUBNJOBHABG-UHFFFAOYSA-N 0 0 395.406 4.711 50 0 GJAARN COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000012784117 570813697 /nfs/dbraw/zinc/81/36/97/570813697.db2.gz TXFRPAQAEUWRPH-ZPHJMFTNSA-N 0 0 394.496 4.690 50 0 GJAARN CCOc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1OCC ZINC000001780508 570814030 /nfs/dbraw/zinc/81/40/30/570814030.db2.gz XPCJSUXRKBKCRM-YRNVUSSQSA-N 0 0 394.423 4.518 50 0 GJAARN NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1 ZINC000007199045 570814210 /nfs/dbraw/zinc/81/42/10/570814210.db2.gz BCOJHCMQGWUGSG-UHFFFAOYSA-N 0 0 386.879 4.504 50 0 GJAARN CC(C)c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[nH]1 ZINC000014016947 570815175 /nfs/dbraw/zinc/81/51/75/570815175.db2.gz WKIAQKNJXFYVSA-VHSXEESVSA-N 0 0 387.336 4.593 50 0 GJAARN C[C@H](NC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000032795344 570815669 /nfs/dbraw/zinc/81/56/69/570815669.db2.gz OHPBFHZYQAWXBM-RBZFPXEDSA-N 0 0 398.459 4.766 50 0 GJAARN CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000014095516 570822294 /nfs/dbraw/zinc/82/22/94/570822294.db2.gz WCXVZCIDUNVTKV-QGZVFWFLSA-N 0 0 381.907 4.854 50 0 GJAARN Cc1cc(NC(=O)[C@H](Nc2ccc(N3CCCC3)c(C)c2)c2ccccc2)no1 ZINC000012507168 570822756 /nfs/dbraw/zinc/82/27/56/570822756.db2.gz GGXSIJRIMJQCHZ-JOCHJYFZSA-N 0 0 390.487 4.684 50 0 GJAARN COc1cccc(-c2cn3cc(-c4cccc(Br)c4)n(C)c3n2)c1 ZINC000004678193 570823818 /nfs/dbraw/zinc/82/38/18/570823818.db2.gz DJXMSTUDIXKFKF-UHFFFAOYSA-N 0 0 382.261 4.778 50 0 GJAARN CC(C)C(=O)Oc1cccc(Nc2ncnc3ccc(Br)cc32)c1 ZINC000001912304 570825229 /nfs/dbraw/zinc/82/52/29/570825229.db2.gz OKFDHHRPYOIGDJ-UHFFFAOYSA-N 0 0 386.249 4.697 50 0 GJAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014171292 570826142 /nfs/dbraw/zinc/82/61/42/570826142.db2.gz ONEFCPUHNIXIGR-UHFFFAOYSA-N 0 0 397.858 4.816 50 0 GJAARN COc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(C)c3)c2C)cc1Cl ZINC000033140747 570827381 /nfs/dbraw/zinc/82/73/81/570827381.db2.gz PEGCWSZXOKLMRI-UHFFFAOYSA-N 0 0 397.906 4.949 50 0 GJAARN Brc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)s1 ZINC000012520817 570827523 /nfs/dbraw/zinc/82/75/23/570827523.db2.gz ILHDHEXSEIHNPX-UHFFFAOYSA-N 0 0 393.291 4.729 50 0 GJAARN CCCn1c2ccc(Cl)cc2nc1SCc1nc2c(C)cccc2c(=O)[nH]1 ZINC000012520763 570827527 /nfs/dbraw/zinc/82/75/27/570827527.db2.gz YQRMTHSGWTWSLY-UHFFFAOYSA-N 0 0 398.919 4.937 50 0 GJAARN O=C(NCc1ccc(Cl)cc1Cl)c1c[nH]c(=S)n1-c1ccccc1 ZINC000012521979 570828361 /nfs/dbraw/zinc/82/83/61/570828361.db2.gz VKUIJPSKBXDMBD-UHFFFAOYSA-N 0 0 378.284 4.772 50 0 GJAARN Cc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000035399438 570828708 /nfs/dbraw/zinc/82/87/08/570828708.db2.gz WNEOPGRWGKMQOW-UHFFFAOYSA-N 0 0 391.902 4.996 50 0 biogenic GJAARN COc1ccc(-c2csc(NC(=O)c3cccc4ncccc43)n2)c(OC)c1 ZINC000014197844 570829103 /nfs/dbraw/zinc/82/91/03/570829103.db2.gz BMIGTQHCBCFAPX-UHFFFAOYSA-N 0 0 391.452 4.628 50 0 GJAARN COc1ccccc1-n1c(S[C@H]2CCCCCC2=O)nnc1-c1cccs1 ZINC000012522454 570829197 /nfs/dbraw/zinc/82/91/97/570829197.db2.gz JLRIKBYNLXEYBO-KRWDZBQOSA-N 0 0 399.541 4.998 50 0 GJAARN C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000032817077 570830424 /nfs/dbraw/zinc/83/04/24/570830424.db2.gz WIINZHVWFRTMJN-MRVPVSSYSA-N 0 0 379.165 4.778 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCC[C@H]1c1cccs1 ZINC000007362735 570833849 /nfs/dbraw/zinc/83/38/49/570833849.db2.gz XSZXRXLCCPBSGC-IBGZPJMESA-N 0 0 394.544 4.635 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)CCCOc3ccccc3)cc2)cs1 ZINC000032810838 570834137 /nfs/dbraw/zinc/83/41/37/570834137.db2.gz JSLDRTXZRVRPDI-UHFFFAOYSA-N 0 0 380.513 4.636 50 0 GJAARN CC(=O)c1cnc2sc(C(=O)Nc3ccccc3Br)c(C)c2c1 ZINC000032814657 570835054 /nfs/dbraw/zinc/83/50/54/570835054.db2.gz HPHFZTYJSTVQKL-UHFFFAOYSA-N 0 0 389.274 4.822 50 0 GJAARN COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000014237476 570835104 /nfs/dbraw/zinc/83/51/04/570835104.db2.gz GFECQNQLGDMFEV-QGZVFWFLSA-N 0 0 375.468 4.791 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)c1 ZINC000033171352 570835734 /nfs/dbraw/zinc/83/57/34/570835734.db2.gz DTRBZSHDCLSXMY-UHFFFAOYSA-N 0 0 380.469 4.957 50 0 GJAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)CC1=O ZINC000007398695 570836977 /nfs/dbraw/zinc/83/69/77/570836977.db2.gz NTUAZVSOGCTOPV-XXBNENTESA-N 0 0 398.506 4.826 50 0 GJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)CCc3ccc(F)cc3)cc2)n1 ZINC000065586094 570837398 /nfs/dbraw/zinc/83/73/98/570837398.db2.gz NWFFBUDQKXQHKC-UHFFFAOYSA-N 0 0 381.476 4.955 50 0 GJAARN Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1Cc1ccco1 ZINC000012538527 570837457 /nfs/dbraw/zinc/83/74/57/570837457.db2.gz BWFZMCALBDFJDG-UHFFFAOYSA-N 0 0 379.485 4.608 50 0 GJAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(SCc2cccs2)s1 ZINC000032823809 570837990 /nfs/dbraw/zinc/83/79/90/570837990.db2.gz JQLMXDARQJHWIC-AAEUAGOBSA-N 0 0 399.632 4.679 50 0 GJAARN CCCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000007407365 570838059 /nfs/dbraw/zinc/83/80/59/570838059.db2.gz WPPZWWXRFBDHAH-UHFFFAOYSA-N 0 0 390.487 4.713 50 0 GJAARN CCCCc1ccc(NC(=O)CN2c3ccccc3N=C3CCC[C@@H]3C2=O)cc1 ZINC000101945806 570838824 /nfs/dbraw/zinc/83/88/24/570838824.db2.gz NGTLYZKMLNYZTC-IBGZPJMESA-N 0 0 389.499 4.887 50 0 GJAARN Brc1cccc(-c2nnc(CN3CCC[C@H]3c3cccs3)o2)c1 ZINC000065608524 570839838 /nfs/dbraw/zinc/83/98/38/570839838.db2.gz XPBZWVFKIDHPDQ-AWEZNQCLSA-N 0 0 390.306 4.898 50 0 GJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)Nc1ccccc1 ZINC000003244874 570840550 /nfs/dbraw/zinc/84/05/50/570840550.db2.gz NSYZJPXTZGEODP-UHFFFAOYSA-N 0 0 388.448 4.759 50 0 GJAARN c1csc(-c2nc(CSc3nc(C4CC4)n(-c4ccccc4)n3)no2)c1 ZINC000032837591 570846615 /nfs/dbraw/zinc/84/66/15/570846615.db2.gz UEMCCXONESZZQG-UHFFFAOYSA-N 0 0 381.486 4.549 50 0 GJAARN O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(SCc2cccnc2)cc1 ZINC000012547792 570849245 /nfs/dbraw/zinc/84/92/45/570849245.db2.gz RUCJTKRJPYQLNN-UHFFFAOYSA-N 0 0 388.496 4.822 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)c1 ZINC000014553163 570849728 /nfs/dbraw/zinc/84/97/28/570849728.db2.gz JUKJHWUFOHTLAH-GOSISDBHSA-N 0 0 388.467 4.962 50 0 GJAARN C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000012548085 570849811 /nfs/dbraw/zinc/84/98/11/570849811.db2.gz CZFONVDTAFIPCU-LJQANCHMSA-N 0 0 397.478 4.796 50 0 GJAARN O=C(Nc1nc2c(s1)CCCCCC2)c1c[nH]c(=S)n1-c1ccccc1 ZINC000170591859 570849892 /nfs/dbraw/zinc/84/98/92/570849892.db2.gz OUHPYYWAJFQOTK-UHFFFAOYSA-N 0 0 384.530 4.529 50 0 GJAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(Oc2ccccc2)c1 ZINC000007490508 570850845 /nfs/dbraw/zinc/85/08/45/570850845.db2.gz HOUUETAYLIRTKF-UHFFFAOYSA-N 0 0 386.451 4.536 50 0 GJAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](Cc3ncc[nH]3)c3ccccc3)o2)cc1 ZINC000012549886 570851608 /nfs/dbraw/zinc/85/16/08/570851608.db2.gz PLECVWDLMIKCIG-FQEVSTJZSA-N 0 0 399.450 4.586 50 0 GJAARN Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012550138 570851675 /nfs/dbraw/zinc/85/16/75/570851675.db2.gz KQYMFTNNRUMXTE-SFHVURJKSA-N 0 0 377.488 4.560 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(C)c3)C2)cc1 ZINC000102578800 570852772 /nfs/dbraw/zinc/85/27/72/570852772.db2.gz JTKACBHEXOEHJQ-VGSWGCGISA-N 0 0 386.455 4.660 50 0 GJAARN Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000102576645 570852911 /nfs/dbraw/zinc/85/29/11/570852911.db2.gz FUQFLKLFXAOLKL-BFUOFWGJSA-N 0 0 380.835 4.898 50 0 GJAARN CCOc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000102591650 570853130 /nfs/dbraw/zinc/85/31/30/570853130.db2.gz JPURMFOAEPRBKD-KSFYIVLOSA-N 0 0 386.455 4.742 50 0 GJAARN CC(=O)N1C[C@@H](CCC(=O)Nc2nc(-c3cccs3)cs2)c2ccccc21 ZINC000170596693 570853910 /nfs/dbraw/zinc/85/39/10/570853910.db2.gz AZNJGOAPJUZJRG-CQSZACIVSA-N 0 0 397.525 4.741 50 0 GJAARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@H](c3ccc(O)cc3)C12 ZINC000102677057 570858114 /nfs/dbraw/zinc/85/81/14/570858114.db2.gz NXIMKWOUYDXZFQ-JLTOFOAXSA-N 0 0 392.846 4.702 50 0 GJAARN CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000014794204 570860131 /nfs/dbraw/zinc/86/01/31/570860131.db2.gz UQIHTOPFPQEKJY-UHFFFAOYSA-N 0 0 377.396 4.859 50 0 GJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(C)nn4[C@H]3c3ccccc3)C2)cc1 ZINC000102715061 570860321 /nfs/dbraw/zinc/86/03/21/570860321.db2.gz UODIEKVFTSZTSA-JTSKRJEESA-N 0 0 386.455 4.660 50 0 GJAARN Cc1ccccc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000033252144 570860471 /nfs/dbraw/zinc/86/04/71/570860471.db2.gz OCDGGQRWDJKWNF-UHFFFAOYSA-N 0 0 398.510 4.952 50 0 GJAARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1 ZINC000102751065 570861813 /nfs/dbraw/zinc/86/18/13/570861813.db2.gz XSMSXGUNDRTNOU-XIKOKIGWSA-N 0 0 394.456 4.769 50 0 GJAARN Cc1cccc(CN(Cc2cccc(C)n2)C[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000170604681 570862134 /nfs/dbraw/zinc/86/21/34/570862134.db2.gz OEFRKLCZMSXWJO-QHCPKHFHSA-N 0 0 379.548 4.978 50 0 GJAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCCCC1 ZINC000044086677 570863486 /nfs/dbraw/zinc/86/34/86/570863486.db2.gz JSXBIQNRKJUVCY-UHFFFAOYSA-N 0 0 391.540 4.952 50 0 GJAARN CC[C@H](C)NC(=O)Nc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000033257239 570863943 /nfs/dbraw/zinc/86/39/43/570863943.db2.gz DMQLFVPXCUEOFG-ZDUSSCGKSA-N 0 0 384.867 4.901 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1N1CCCC1 ZINC000012561233 570865686 /nfs/dbraw/zinc/86/56/86/570865686.db2.gz POISNOIWTTWLRO-MRXNPFEDSA-N 0 0 394.544 4.528 50 0 GJAARN Oc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)c1 ZINC000102829012 570866382 /nfs/dbraw/zinc/86/63/82/570866382.db2.gz QXPFBEUXAKNZHZ-CTNGQTDRSA-N 0 0 377.831 4.683 50 0 GJAARN COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3ccccc3)CC(=O)C21 ZINC000102836403 570866728 /nfs/dbraw/zinc/86/67/28/570866728.db2.gz QDHZAFKNLXOYNA-XOBRGWDASA-N 0 0 388.427 4.707 50 0 GJAARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@@H](c3cccs3)C12 ZINC000102839076 570866795 /nfs/dbraw/zinc/86/67/95/570866795.db2.gz FXIJXCKSQWEFDY-GTNSWQLSSA-N 0 0 382.420 4.899 50 0 GJAARN Cc1sc2nc(-c3cccnc3)nc(SCCO)c2c1-c1ccccc1 ZINC000003430355 570868528 /nfs/dbraw/zinc/86/85/28/570868528.db2.gz YJRULPNSLWHMDS-UHFFFAOYSA-N 0 0 379.510 4.813 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NC(C)C ZINC000037278705 570869084 /nfs/dbraw/zinc/86/90/84/570869084.db2.gz YGEXBCSEOULSOP-UHFFFAOYSA-N 0 0 399.441 4.708 50 0 GJAARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612695 570870116 /nfs/dbraw/zinc/87/01/16/570870116.db2.gz AEEZDIWKMDZAAN-SFHVURJKSA-N 0 0 393.874 4.985 50 0 GJAARN Cc1ccc2c(c1)NC(=O)CN(C(=S)Nc1ccccc1)[C@@H]2c1ccccc1 ZINC000170612662 570870495 /nfs/dbraw/zinc/87/04/95/570870495.db2.gz JDOUDEHBHNKXTQ-JOCHJYFZSA-N 0 0 387.508 4.736 50 0 GJAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCCCCC(=O)[O-])c1 ZINC000170612891 570870973 /nfs/dbraw/zinc/87/09/73/570870973.db2.gz LNXDTDXBMYKPFB-UHFFFAOYSA-N 0 0 391.515 4.972 50 0 GJAARN CCCn1ccnc1CCCN(C)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000170613652 570871027 /nfs/dbraw/zinc/87/10/27/570871027.db2.gz MYVZLMOTIKASCU-IRXDYDNUSA-N 0 0 393.453 4.507 50 0 GJAARN COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000015009924 570871382 /nfs/dbraw/zinc/87/13/82/570871382.db2.gz GOBHCKXKLOGNBS-PXNMLYILSA-N 0 0 375.833 4.598 50 0 GJAARN COc1ccc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000015013897 570871936 /nfs/dbraw/zinc/87/19/36/570871936.db2.gz RTJOJWJVZVMVNO-UHFFFAOYSA-N 0 0 375.346 4.904 50 0 GJAARN Cc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1C(C)C ZINC000012577552 570875877 /nfs/dbraw/zinc/87/58/77/570875877.db2.gz XUIYITNMFBUAFA-OAQYLSRUSA-N 0 0 377.488 4.737 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000012581957 570878744 /nfs/dbraw/zinc/87/87/44/570878744.db2.gz KFOVINAOVKFKSP-ZLDLUXBVSA-N 0 0 388.291 4.549 50 0 GJAARN O=C(Nc1cccc2cccnc21)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170622915 570880100 /nfs/dbraw/zinc/88/01/00/570880100.db2.gz IXDRSFYWKJZPDM-UHFFFAOYSA-N 0 0 384.317 4.556 50 0 GJAARN COc1ccc(Cl)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000170622965 570880605 /nfs/dbraw/zinc/88/06/05/570880605.db2.gz IZSATEIKNAIAGE-UHFFFAOYSA-N 0 0 397.740 4.670 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(-c3nnc4c5ccccc5c(C)nn34)cc2)cc1 ZINC000003655645 570881720 /nfs/dbraw/zinc/88/17/20/570881720.db2.gz NXQZMSVBFZXLIN-UHFFFAOYSA-N 0 0 393.450 4.814 50 0 GJAARN CN(C[C@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1)C(=O)OC(C)(C)C ZINC000170625605 570882627 /nfs/dbraw/zinc/88/26/27/570882627.db2.gz JECCZYUSOKMXHQ-OAHLLOKOSA-N 0 0 389.927 4.972 50 0 GJAARN CC(=O)NCCNc1nc(-c2cccs2)nc2scc(-c3ccccc3)c21 ZINC000015171031 570883383 /nfs/dbraw/zinc/88/33/83/570883383.db2.gz NMJVHRBAXFDSDB-UHFFFAOYSA-N 0 0 394.525 4.635 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000103417998 570884074 /nfs/dbraw/zinc/88/40/74/570884074.db2.gz SJJYNMSRRBDJBZ-UCLAIMLFSA-N 0 0 396.911 4.574 50 0 GJAARN CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000004728877 570884200 /nfs/dbraw/zinc/88/42/00/570884200.db2.gz QQWZKPLAGPSUCS-LRAJWGHMSA-N 0 0 384.495 4.746 50 0 GJAARN CCc1nnsc1C(=O)N(C)Cc1ccc2c(c1)c1ccccc1n2CC ZINC000012597880 570884933 /nfs/dbraw/zinc/88/49/33/570884933.db2.gz HMMFVJBXRCSEFJ-UHFFFAOYSA-N 0 0 378.501 4.501 50 0 GJAARN CCn1c(C)nc2cc(-c3nnc(-c4ccc(OC(C)C)c(OC)c4)o3)ccc21 ZINC000012595627 570884937 /nfs/dbraw/zinc/88/49/37/570884937.db2.gz NXNKLUKYQPKLCQ-UHFFFAOYSA-N 0 0 392.459 4.877 50 0 GJAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(Cc2c[nH]c3ccccc23)n1 ZINC000097001745 570885698 /nfs/dbraw/zinc/88/56/98/570885698.db2.gz XQMDSGKPUMSBAY-KRWDZBQOSA-N 0 0 384.480 4.754 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)Cc3ccccc3)c2n1 ZINC000012601690 570886689 /nfs/dbraw/zinc/88/66/89/570886689.db2.gz IYISQOLLJGIQSN-UHFFFAOYSA-N 0 0 389.282 4.887 50 0 GJAARN COc1cccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccnc2)c1 ZINC000033267685 570889008 /nfs/dbraw/zinc/88/90/08/570889008.db2.gz OPYOQJKQYZHAMV-FQEVSTJZSA-N 0 0 386.455 4.525 50 0 GJAARN COc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(F)F ZINC000012606943 570889132 /nfs/dbraw/zinc/88/91/32/570889132.db2.gz CVIJVKAELOYBDQ-UHFFFAOYSA-N 0 0 391.201 4.654 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000015318685 570889360 /nfs/dbraw/zinc/88/93/60/570889360.db2.gz DUTKPMIPRORDJL-UHFFFAOYSA-N 0 0 394.789 4.532 50 0 GJAARN Cc1ccc(CNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccnc2)cc1 ZINC000033267731 570889396 /nfs/dbraw/zinc/88/93/96/570889396.db2.gz WKWHCPSTCRCPCQ-NRFANRHFSA-N 0 0 384.483 4.503 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)o1 ZINC000009954283 570889812 /nfs/dbraw/zinc/88/98/12/570889812.db2.gz UCOMRMYQQJVHDB-UHFFFAOYSA-N 0 0 397.475 4.767 50 0 GJAARN CCc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)c1 ZINC000004563811 570890885 /nfs/dbraw/zinc/89/08/85/570890885.db2.gz LMCMTZFLBGCNST-ZEQRLZLVSA-N 0 0 396.490 4.725 50 0 GJAARN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCCc2ccccc21 ZINC000015349989 570892537 /nfs/dbraw/zinc/89/25/37/570892537.db2.gz AFVOCWHADXMDEG-KGLIPLIRSA-N 0 0 379.529 4.623 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c(C)c1 ZINC000010500034 570894703 /nfs/dbraw/zinc/89/47/03/570894703.db2.gz DLWKOZRINHKFOB-UHFFFAOYSA-N 0 0 393.512 4.516 50 0 GJAARN Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(Cl)c1 ZINC000013324966 570895455 /nfs/dbraw/zinc/89/54/55/570895455.db2.gz FUFUGHYJXIBUCF-UHFFFAOYSA-N 0 0 384.332 4.713 50 0 GJAARN CCNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1C(C)C ZINC000015554443 570896836 /nfs/dbraw/zinc/89/68/36/570896836.db2.gz QTWYNIPWHJCCCQ-UHFFFAOYSA-N 0 0 379.529 4.891 50 0 GJAARN CC(C)(C)c1cccc(Nc2nc3ccncc3n(Cc3ccccc3)c2=O)c1 ZINC000097123436 570897530 /nfs/dbraw/zinc/89/75/30/570897530.db2.gz CIGRBEMOTSPIEB-UHFFFAOYSA-N 0 0 384.483 4.881 50 0 GJAARN Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)o1 ZINC000104271237 570898946 /nfs/dbraw/zinc/89/89/46/570898946.db2.gz QIHKFWSIHMQQLG-DUVNUKRYSA-N 0 0 378.494 4.734 50 0 GJAARN CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C ZINC000004024029 570900676 /nfs/dbraw/zinc/90/06/76/570900676.db2.gz FCPKYEAPHJRRQX-OLBMPHTCSA-N 0 0 385.548 4.987 50 0 biogenic GJAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000015669137 570901514 /nfs/dbraw/zinc/90/15/14/570901514.db2.gz NDWXSZDHONVXDP-UHFFFAOYSA-N 0 0 387.487 4.560 50 0 GJAARN Cc1cc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1N1CCCC1=O ZINC000104739361 570903692 /nfs/dbraw/zinc/90/36/92/570903692.db2.gz UOKJHQZQACXNNY-NBHGPNQESA-N 0 0 386.536 4.538 50 0 GJAARN O=C(Nc1cccc(Br)c1)c1cccnc1SCC(F)(F)F ZINC000022522526 570906312 /nfs/dbraw/zinc/90/63/12/570906312.db2.gz FXHDCVFCINHRFB-UHFFFAOYSA-N 0 0 391.212 4.751 50 0 GJAARN CCc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 ZINC000014609790 570906307 /nfs/dbraw/zinc/90/63/07/570906307.db2.gz PHEZVYDDDDFMCU-UHFFFAOYSA-N 0 0 398.466 4.758 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1c2nsnc2ccc1N1CCCC1 ZINC000015869091 570908021 /nfs/dbraw/zinc/90/80/21/570908021.db2.gz WWZPDFRBWDHJAX-UHFFFAOYSA-N 0 0 391.859 4.728 50 0 GJAARN CCSc1nnc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)s1 ZINC000014673862 570909738 /nfs/dbraw/zinc/90/97/38/570909738.db2.gz OWNQLYNYYCHDAP-UHFFFAOYSA-N 0 0 375.450 4.834 50 0 GJAARN O=c1c2scc(-c3cccc(Cl)c3)c2ncn1CCOc1ccccc1 ZINC000023126532 570910273 /nfs/dbraw/zinc/91/02/73/570910273.db2.gz CPTOSXSZKYHWFJ-UHFFFAOYSA-N 0 0 382.872 4.857 50 0 GJAARN COc1ccc(COC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)cc1F ZINC000032910233 570911546 /nfs/dbraw/zinc/91/15/46/570911546.db2.gz FPPNWYXLOUYPRU-CQSZACIVSA-N 0 0 379.431 4.864 50 0 GJAARN Cc1nc2cc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)ccc2o1 ZINC000032909934 570912559 /nfs/dbraw/zinc/91/25/59/570912559.db2.gz BSGAUOHJJIQMRE-UHFFFAOYSA-N 0 0 378.457 4.887 50 0 GJAARN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000016101645 570913857 /nfs/dbraw/zinc/91/38/57/570913857.db2.gz XDHNIYVTWYIZQG-UHFFFAOYSA-N 0 0 381.078 4.557 50 0 GJAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000016846298 570913910 /nfs/dbraw/zinc/91/39/10/570913910.db2.gz JIKPNUMXKPAVFG-LJQANCHMSA-N 0 0 390.483 4.518 50 0 GJAARN CC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000016116134 570914094 /nfs/dbraw/zinc/91/40/94/570914094.db2.gz RHKPIYXWINNWJU-OXUXUCFPSA-N 0 0 381.781 4.617 50 0 GJAARN Cc1nc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n(C)c2)cs1 ZINC000016202499 570917350 /nfs/dbraw/zinc/91/73/50/570917350.db2.gz FOZJVUPVSMYFPW-UHFFFAOYSA-N 0 0 381.379 4.608 50 0 GJAARN COc1cc(C(=O)N[C@H](c2cccs2)C(C)C)ccc1OCc1ccncc1 ZINC000031895641 570918552 /nfs/dbraw/zinc/91/85/52/570918552.db2.gz FUWAJMXAINUIFM-NRFANRHFSA-N 0 0 396.512 4.858 50 0 GJAARN CC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@@H](c3ccccn3)C3CC3)c2)nc1 ZINC000534664780 570919050 /nfs/dbraw/zinc/91/90/50/570919050.db2.gz QJQCWSDOXDKNAH-HSZRJFAPSA-N 0 0 385.467 4.570 50 0 GJAARN CN1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000023153874 570919705 /nfs/dbraw/zinc/91/97/05/570919705.db2.gz MIXPWBDMUUWKJR-UHFFFAOYSA-N 0 0 395.509 4.858 50 0 GJAARN COc1cccc2cc(-c3nnc(Nc4ccc(Cl)cc4)s3)c(=O)oc21 ZINC000004588741 570923477 /nfs/dbraw/zinc/92/34/77/570923477.db2.gz AXMWBPXYLDAXNK-UHFFFAOYSA-N 0 0 385.832 4.717 50 0 GJAARN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1C ZINC000016362792 570923591 /nfs/dbraw/zinc/92/35/91/570923591.db2.gz TYOMMXWIQPMGIN-UHFFFAOYSA-N 0 0 391.467 4.571 50 0 GJAARN COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 ZINC000016382456 570924031 /nfs/dbraw/zinc/92/40/31/570924031.db2.gz UCEKIWXAKBHFIM-GOSISDBHSA-N 0 0 399.878 4.744 50 0 GJAARN CCC(CC)[C@@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000032915558 570926487 /nfs/dbraw/zinc/92/64/87/570926487.db2.gz DAEOZXUSVSGLAA-JOCHJYFZSA-N 0 0 385.504 4.549 50 0 GJAARN O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)C1CC1 ZINC000032915569 570926548 /nfs/dbraw/zinc/92/65/48/570926548.db2.gz YKPJKXCRNGRKIC-UHFFFAOYSA-N 0 0 375.197 4.745 50 0 GJAARN Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)s1 ZINC000031951670 570927057 /nfs/dbraw/zinc/92/70/57/570927057.db2.gz BYMNOVJDXINBFN-ACJLOTCBSA-N 0 0 392.952 4.650 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccc(F)cc1 ZINC000017156515 570929192 /nfs/dbraw/zinc/92/91/92/570929192.db2.gz VRYVGUNPIJUCNM-UHFFFAOYSA-N 0 0 377.346 4.991 50 0 GJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc(F)c1 ZINC000000937864 570930328 /nfs/dbraw/zinc/93/03/28/570930328.db2.gz LAKNZOSCKJQMRD-UHFFFAOYSA-N 0 0 399.443 4.992 50 0 GJAARN Cc1cccn2cc(COC(=O)c3c4ccccc4nc4c3C[C@@H](C)CC4)nc12 ZINC000012629373 570931610 /nfs/dbraw/zinc/93/16/10/570931610.db2.gz IODVWLLGFYOIGO-HNNXBMFYSA-N 0 0 385.467 4.673 50 0 GJAARN Cc1nnc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)s1 ZINC000016707386 570931776 /nfs/dbraw/zinc/93/17/76/570931776.db2.gz HZGIRRGBMKJVHS-UHFFFAOYSA-N 0 0 379.363 4.910 50 0 GJAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1nnc(C2CCC2)[nH]1 ZINC000263588013 570932044 /nfs/dbraw/zinc/93/20/44/570932044.db2.gz NZKMUXBQNCGRCI-FQEVSTJZSA-N 0 0 385.471 4.645 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3cccs3)c2n1 ZINC000012637651 570932665 /nfs/dbraw/zinc/93/26/65/570932665.db2.gz CSUYLULKQOVZPC-UHFFFAOYSA-N 0 0 381.284 4.607 50 0 GJAARN Fc1ccc(CSc2nnc(-c3nnc(-c4ccccc4)o3)o2)c(Cl)c1 ZINC000032922499 570933841 /nfs/dbraw/zinc/93/38/41/570933841.db2.gz TXDHNHJAQYHSGR-UHFFFAOYSA-N 0 0 388.811 4.871 50 0 GJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccccc2C)cc1 ZINC000046913390 570935644 /nfs/dbraw/zinc/93/56/44/570935644.db2.gz VULPPGCDLSJWOB-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN COc1cc(Cl)c(C)cc1Nc1c(C)c(C)nc2nc(-c3ccco3)nn21 ZINC000046913849 570936543 /nfs/dbraw/zinc/93/65/43/570936543.db2.gz BFSYEBJYCAMCKI-UHFFFAOYSA-N 0 0 383.839 4.715 50 0 GJAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccco2)o1 ZINC000032925235 570936673 /nfs/dbraw/zinc/93/66/73/570936673.db2.gz HYTAFASUWIVJBO-INIZCTEOSA-N 0 0 399.244 4.935 50 0 GJAARN CC(=O)Oc1ccc2c(c1)oc(C)c(-c1csc(-c3ccccc3)n1)c2=O ZINC000002087174 570937778 /nfs/dbraw/zinc/93/77/78/570937778.db2.gz KTOJBEXIDAUIRC-UHFFFAOYSA-N 0 0 377.421 4.817 50 0 biogenic GJAARN CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc(F)c3)oc2cc1O ZINC000002088966 570938320 /nfs/dbraw/zinc/93/83/20/570938320.db2.gz WOUAULGMRGKBFL-LVWGJNHUSA-N 0 0 382.435 4.732 50 0 GJAARN CCOc1ccc(CC2N=NC(=S)N2c2ccccc2C(F)(F)F)cc1 ZINC000017077535 570939611 /nfs/dbraw/zinc/93/96/11/570939611.db2.gz BMPJMSVYWYKHND-UHFFFAOYSA-N 0 0 379.407 4.564 50 0 GJAARN CCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccccc43)ccc12 ZINC000002095983 570941330 /nfs/dbraw/zinc/94/13/30/570941330.db2.gz XTUTUOKEOAZGRA-UHFFFAOYSA-N 0 0 389.451 4.726 50 0 biogenic GJAARN CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 ZINC000002101697 570942921 /nfs/dbraw/zinc/94/29/21/570942921.db2.gz CZCARHUUZYJPRS-HSZRJFAPSA-N 0 0 389.536 4.775 50 0 biogenic GJAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(SCc2cccnc2)cc1 ZINC000047189277 570947360 /nfs/dbraw/zinc/94/73/60/570947360.db2.gz TWHCPDGOMUETSK-UTKZUKDTSA-N 0 0 384.545 4.699 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000012656140 570947401 /nfs/dbraw/zinc/94/74/01/570947401.db2.gz GSCFOBIGTCHCFF-NXHRZFHOSA-N 0 0 387.549 4.578 50 0 GJAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(Cl)ccc1Cl ZINC000005442289 570947511 /nfs/dbraw/zinc/94/75/11/570947511.db2.gz DZIQXWJIGNDRCO-UHFFFAOYSA-N 0 0 380.256 4.774 50 0 GJAARN COc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000001240364 570948244 /nfs/dbraw/zinc/94/82/44/570948244.db2.gz RLXKUWHIPYCGND-UHFFFAOYSA-N 0 0 399.541 4.618 50 0 GJAARN Cc1cccc(NC(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c1 ZINC000047208627 570948530 /nfs/dbraw/zinc/94/85/30/570948530.db2.gz XQLPOOAZFMLJLK-QFIPXVFZSA-N 0 0 391.515 4.506 50 0 GJAARN CC(C)Nc1nc2nn(-c3ccc(F)cc3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037360979 570949524 /nfs/dbraw/zinc/94/95/24/570949524.db2.gz UVPRMTQBAAVHMZ-UHFFFAOYSA-N 0 0 396.857 4.678 50 0 GJAARN CCCc1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1CCCC2 ZINC000001249379 570950311 /nfs/dbraw/zinc/95/03/11/570950311.db2.gz JAOMGIXXSMDUAC-ZDUSSCGKSA-N 0 0 382.533 4.662 50 0 GJAARN CCOC(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OCC ZINC000002773416 570950458 /nfs/dbraw/zinc/95/04/58/570950458.db2.gz CDQFRVVWSGRIBB-UHFFFAOYSA-N 0 0 398.278 4.923 50 0 GJAARN N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000001270189 570951834 /nfs/dbraw/zinc/95/18/34/570951834.db2.gz ZVOXSCAWCUJBEC-INIZCTEOSA-N 0 0 384.892 4.739 50 0 GJAARN Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018250123 570952125 /nfs/dbraw/zinc/95/21/25/570952125.db2.gz ZVURCOQESIYDHP-FQEVSTJZSA-N 0 0 393.556 4.724 50 0 GJAARN Fc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263615228 570953120 /nfs/dbraw/zinc/95/31/20/570953120.db2.gz BGORNZCVLLWAOB-SFHVURJKSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 ZINC000263616850 570954255 /nfs/dbraw/zinc/95/42/55/570954255.db2.gz KWHYUEZLLJEMQR-GOSISDBHSA-N 0 0 381.863 4.605 50 0 GJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 ZINC000263617367 570954875 /nfs/dbraw/zinc/95/48/75/570954875.db2.gz NJYACACQAFUTDA-HXUWFJFHSA-N 0 0 394.475 4.651 50 0 GJAARN C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000003283375 570955887 /nfs/dbraw/zinc/95/58/87/570955887.db2.gz SMPJPDAOUTWUCD-OFFHKIPUSA-N 0 0 395.789 4.525 50 0 GJAARN Cc1ccc(F)c(NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033288889 570955985 /nfs/dbraw/zinc/95/59/85/570955985.db2.gz RTHHNHSPVQTWDD-UHFFFAOYSA-N 0 0 385.489 4.806 50 0 GJAARN O=C(CSc1nccnc1Sc1ccccc1)Nc1cc(F)cc(F)c1 ZINC000033288883 570956015 /nfs/dbraw/zinc/95/60/15/570956015.db2.gz OSMDJARVSVGVLU-UHFFFAOYSA-N 0 0 389.452 4.637 50 0 GJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2C)cc1 ZINC000033288925 570956075 /nfs/dbraw/zinc/95/60/75/570956075.db2.gz HJRZASDVMJFFJT-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 ZINC000001302031 570956816 /nfs/dbraw/zinc/95/68/16/570956816.db2.gz UVENCBRGWONTAN-LBPRGKRZSA-N 0 0 386.542 4.693 50 0 GJAARN COc1cc(/C=C\c2nc(-c3ccccc3O)n(-c3ccccc3)n2)ccc1O ZINC000083313031 570957396 /nfs/dbraw/zinc/95/73/96/570957396.db2.gz OEHZSAHLIXAOHB-OWBHPGMISA-N 0 0 385.423 4.525 50 0 GJAARN O=C(COc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000004749627 570961709 /nfs/dbraw/zinc/96/17/09/570961709.db2.gz AOZYHCYFSOHWLY-UHFFFAOYSA-N 0 0 376.437 4.686 50 0 GJAARN CN(C)C(=O)[C@H](Nc1nc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000083843953 570968568 /nfs/dbraw/zinc/96/85/68/570968568.db2.gz KEWXCHNFYDHJNV-LJQANCHMSA-N 0 0 388.496 4.600 50 0 GJAARN C[C@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000106923305 570968650 /nfs/dbraw/zinc/96/86/50/570968650.db2.gz WOSHGJDZGIGEAO-CZUORRHYSA-N 0 0 393.325 4.869 50 0 GJAARN C[C@@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H]1c1ccccc1 ZINC000170643665 570968777 /nfs/dbraw/zinc/96/87/77/570968777.db2.gz UAMDNSIJCZJCRZ-MLGOLLRUSA-N 0 0 387.361 4.589 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000211084307 570969498 /nfs/dbraw/zinc/96/94/98/570969498.db2.gz LQAHMWYGCOARQM-UHFFFAOYSA-N 0 0 391.901 4.633 50 0 GJAARN CN(C)c1c(Cl)cccc1NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000083852370 570970993 /nfs/dbraw/zinc/97/09/93/570970993.db2.gz CIAFHVBRCGJFNA-UHFFFAOYSA-N 0 0 390.270 4.625 50 0 GJAARN O=C(NC1CCCCC1)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000002147196 570971590 /nfs/dbraw/zinc/97/15/90/570971590.db2.gz IXDJTBGCWNLYEN-UHFFFAOYSA-N 0 0 382.529 4.942 50 0 GJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2Nc2ccccc2)c1 ZINC000012729507 570973572 /nfs/dbraw/zinc/97/35/72/570973572.db2.gz KQZVKSPREPPRNB-UHFFFAOYSA-N 0 0 387.483 4.758 50 0 GJAARN CCOC(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000001381414 570974199 /nfs/dbraw/zinc/97/41/99/570974199.db2.gz BEXVYFWXIZNPJJ-UHFFFAOYSA-N 0 0 378.856 4.532 50 0 GJAARN CN(Cc1ccccc1)[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000019316173 570974649 /nfs/dbraw/zinc/97/46/49/570974649.db2.gz GKXKMUYWQLRRMW-QFQMRYFISA-N 0 0 397.733 4.644 50 0 GJAARN CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000252493578 570974899 /nfs/dbraw/zinc/97/48/99/570974899.db2.gz NDDPRAHTHYBIEN-LJQANCHMSA-N 0 0 387.277 4.545 50 0 GJAARN COC(=O)c1occc1[C@@H]1N(C)c2ccccc2C(=O)N1c1ccccc1Cl ZINC000083881766 570975100 /nfs/dbraw/zinc/97/51/00/570975100.db2.gz PMHVXMSAIHXOTC-LJQANCHMSA-N 0 0 396.830 4.515 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000012732803 570976278 /nfs/dbraw/zinc/97/62/78/570976278.db2.gz ODFSZLAKRKMAJW-YHLJFGAHSA-N 0 0 391.559 4.753 50 0 GJAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Cl)cc2F)n1 ZINC000012735016 570977132 /nfs/dbraw/zinc/97/71/32/570977132.db2.gz LZFUOKHGUYNUPO-UHFFFAOYSA-N 0 0 377.828 4.715 50 0 GJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc3c2CCCC3)c1 ZINC000012734555 570977332 /nfs/dbraw/zinc/97/73/32/570977332.db2.gz XEPODCLHEXOYNV-UHFFFAOYSA-N 0 0 392.528 4.824 50 0 GJAARN Cc1nn2cc(-c3ncc(C(F)(F)F)cc3Cl)cnc2c1Br ZINC000001391617 570978038 /nfs/dbraw/zinc/97/80/38/570978038.db2.gz KEYMZPDWDIJUGF-UHFFFAOYSA-N 0 0 391.578 4.534 50 0 GJAARN Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000004775934 570978652 /nfs/dbraw/zinc/97/86/52/570978652.db2.gz QZUCNMLYEMEATE-UHFFFAOYSA-N 0 0 389.842 4.658 50 0 GJAARN O=C(C[C@@H](c1ccc(Br)cc1)n1cccc1)NC1CCCCC1 ZINC000001393776 570978713 /nfs/dbraw/zinc/97/87/13/570978713.db2.gz RDJZURILYBGGBE-SFHVURJKSA-N 0 0 375.310 4.679 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc54)n[nH]3)CC2)c1 ZINC000044838771 570979110 /nfs/dbraw/zinc/97/91/10/570979110.db2.gz JSCAILNSBQUDGK-UHFFFAOYSA-N 0 0 396.494 4.501 50 0 GJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000012737468 570979241 /nfs/dbraw/zinc/97/92/41/570979241.db2.gz MQQNPNNXOGHPNJ-MRXNPFEDSA-N 0 0 378.497 4.752 50 0 GJAARN COc1ccc(C2=CCN(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000083943689 570980874 /nfs/dbraw/zinc/98/08/74/570980874.db2.gz JHYTWFSKVILFAN-FQEVSTJZSA-N 0 0 398.503 4.870 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585149026 570982571 /nfs/dbraw/zinc/98/25/71/570982571.db2.gz RKUROUGJFMWOHJ-OAHLLOKOSA-N 0 0 376.378 4.662 50 0 GJAARN CCc1nc2ccc(C(=O)N[C@@H](c3cccs3)C3CCOCC3)cc2s1 ZINC000585149364 570983164 /nfs/dbraw/zinc/98/31/64/570983164.db2.gz LBTRSYSKCYSKRG-LJQANCHMSA-N 0 0 386.542 4.818 50 0 GJAARN Cc1noc(C)c1CN1CC(C)CN(Cc2c(C)noc2C)c2ccccc21 ZINC000170648698 570984879 /nfs/dbraw/zinc/98/48/79/570984879.db2.gz FKRXOCZKAXVCBK-UHFFFAOYSA-N 0 0 380.492 4.559 50 0 GJAARN Cc1ccc(N(C(=O)c2csc(-c3ccccn3)n2)C2CCCCC2)nc1 ZINC000108203199 570985602 /nfs/dbraw/zinc/98/56/02/570985602.db2.gz CNZDEHHFLXKDPL-UHFFFAOYSA-N 0 0 378.501 4.888 50 0 GJAARN Cc1cccc(N2CCN(C(=O)/C=C\c3ccc(Cl)cc3Cl)CC2)c1C ZINC000033333791 570988890 /nfs/dbraw/zinc/98/88/90/570988890.db2.gz WZCHVJDJGXCWPU-CLFYSBASSA-N 0 0 389.326 4.972 50 0 GJAARN Cc1ccc(OCCOC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1 ZINC000004789835 570990747 /nfs/dbraw/zinc/99/07/47/570990747.db2.gz YHNCMHHYZCXGJN-UHFFFAOYSA-N 0 0 389.451 4.507 50 0 GJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(Cl)c1 ZINC000012747634 570991565 /nfs/dbraw/zinc/99/15/65/570991565.db2.gz JPMPHCWKBUGHKK-UHFFFAOYSA-N 0 0 375.255 4.897 50 0 GJAARN CC(=O)Nc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)s1 ZINC000012748178 570992681 /nfs/dbraw/zinc/99/26/81/570992681.db2.gz YPPCQMPFVLZRIM-UHFFFAOYSA-N 0 0 378.497 4.592 50 0 GJAARN CC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000016648883 570994671 /nfs/dbraw/zinc/99/46/71/570994671.db2.gz TUDQXFVVVPOFGH-UHFFFAOYSA-N 0 0 384.907 4.954 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000045660860 570994695 /nfs/dbraw/zinc/99/46/95/570994695.db2.gz RFCIULZUDWWHMO-GFCCVEGCSA-N 0 0 383.439 4.532 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)c3ccc(F)cc3)cc12 ZINC000084068025 570994770 /nfs/dbraw/zinc/99/47/70/570994770.db2.gz GSIMAUQDGWHDSA-UHFFFAOYSA-N 0 0 383.423 4.950 50 0 GJAARN COc1ccc(NC(=O)[C@@H](C)SCc2cccc(Br)c2)cc1 ZINC000015493432 570997902 /nfs/dbraw/zinc/99/79/02/570997902.db2.gz NANBOODXVNCWTE-GFCCVEGCSA-N 0 0 380.307 4.718 50 0 GJAARN Cc1nc(CSc2ccccc2C(=O)Nc2cccc3c2CCCC3)no1 ZINC000045851759 570998146 /nfs/dbraw/zinc/99/81/46/570998146.db2.gz RGRRMNPFVPMQCY-UHFFFAOYSA-N 0 0 379.485 4.801 50 0 GJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(F)c1 ZINC000045863995 570998351 /nfs/dbraw/zinc/99/83/51/570998351.db2.gz XWUYGAAPCGVVTG-INIZCTEOSA-N 0 0 376.431 4.911 50 0 GJAARN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1c1nccs1 ZINC000175380728 570998748 /nfs/dbraw/zinc/99/87/48/570998748.db2.gz KJBPQOHGACINHW-AWEZNQCLSA-N 0 0 391.345 4.507 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(s2)c2ccccc2oc3=O)cc1Cl ZINC000004875644 571000371 /nfs/dbraw/zinc/00/03/71/571000371.db2.gz RHNFFNCYDJMOOY-UHFFFAOYSA-N 0 0 385.828 4.922 50 0 GJAARN O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(Cl)c2)C1c1ccccc1 ZINC000045928613 571002244 /nfs/dbraw/zinc/00/22/44/571002244.db2.gz FFORKLYQBIWRMA-FQEVSTJZSA-N 0 0 376.843 4.788 50 0 GJAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2)cc1 ZINC000045942314 571003820 /nfs/dbraw/zinc/00/38/20/571003820.db2.gz VTABVHCIYZJFSO-QHCPKHFHSA-N 0 0 399.446 4.777 50 0 GJAARN O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)C1c1ccccc1 ZINC000045942675 571004292 /nfs/dbraw/zinc/00/42/92/571004292.db2.gz XIPLGGPORJQVIY-HXUWFJFHSA-N 0 0 376.843 4.788 50 0 GJAARN CCCNC(=O)CCn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000037398313 571005653 /nfs/dbraw/zinc/00/56/53/571005653.db2.gz ZHOYWFOKIFMLIW-UHFFFAOYSA-N 0 0 390.314 4.850 50 0 GJAARN O=c1/c(=C\c2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000002208246 571005768 /nfs/dbraw/zinc/00/57/68/571005768.db2.gz HDSXNEYBWBDJBL-CAPFRKAQSA-N 0 0 380.472 4.638 50 0 GJAARN COCCC[C@H]1CCCCN1C(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC000091426073 571007083 /nfs/dbraw/zinc/00/70/83/571007083.db2.gz NJZMPXONNZBMMD-HXUWFJFHSA-N 0 0 379.500 4.647 50 0 GJAARN CC(C)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000012759786 571008148 /nfs/dbraw/zinc/00/81/48/571008148.db2.gz JAUJIPDYRKXJMH-QNGOZBTKSA-N 0 0 399.454 4.693 50 0 GJAARN Cc1nnc(SC[C@@H](O)c2ccccc2C(F)(F)F)n1-c1cccc(C)c1 ZINC000084213268 571009479 /nfs/dbraw/zinc/00/94/79/571009479.db2.gz LOZFEMDRYVKZAY-QGZVFWFLSA-N 0 0 393.434 4.729 50 0 GJAARN CC(C)n1c(=O)oc2cc(NC(=O)Nc3ccc(Br)cc3)ccc21 ZINC000046009974 571010276 /nfs/dbraw/zinc/01/02/76/571010276.db2.gz QRSQLUIQMKXVKM-UHFFFAOYSA-N 0 0 390.237 4.582 50 0 GJAARN Cc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000046004870 571011237 /nfs/dbraw/zinc/01/12/37/571011237.db2.gz DWAWNHYMUWASAQ-UHFFFAOYSA-N 0 0 384.435 4.966 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000007652404 571011974 /nfs/dbraw/zinc/01/19/74/571011974.db2.gz IRDFMDJRLCAWBU-UHFFFAOYSA-N 0 0 381.432 4.795 50 0 GJAARN O=C(Nc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1)c1ccccc1Cl ZINC000015540063 571014962 /nfs/dbraw/zinc/01/49/62/571014962.db2.gz IRFLCUCDOHALSQ-UHFFFAOYSA-N 0 0 395.798 4.540 50 0 GJAARN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2cc(C)sc2C)c1 ZINC000046057443 571017690 /nfs/dbraw/zinc/01/76/90/571017690.db2.gz WBNJWVOYVMJCEW-GOSISDBHSA-N 0 0 393.512 4.730 50 0 GJAARN Cc1cc(OCC(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)ccc1Cl ZINC000065892158 571018282 /nfs/dbraw/zinc/01/82/82/571018282.db2.gz 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CN(CN1C(=O)CC2(CCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197200 210108720 /nfs/dbraw/zinc/10/87/20/210108720.db2.gz JHPWJUPTUSZIIR-QFIPXVFZSA-N 0 0 394.490 4.514 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000014118875 210103875 /nfs/dbraw/zinc/10/38/75/210103875.db2.gz ARTMBUJVQPBYIZ-MRXNPFEDSA-N 0 0 378.472 4.622 50 0 GJAARN Cc1nc(SCC(=O)Nc2cccc3ncccc32)[nH]c1Cc1ccccc1 ZINC000014044941 210102166 /nfs/dbraw/zinc/10/21/66/210102166.db2.gz VNSKVSWUBGPETA-UHFFFAOYSA-N 0 0 388.496 4.588 50 0 GJAARN CCOc1cc(C)c(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C(C)C ZINC000014010204 210099891 /nfs/dbraw/zinc/09/98/91/210099891.db2.gz AUDJLDCEZDPYQA-NDENLUEZSA-N 0 0 396.462 4.749 50 0 GJAARN COc1ccc2[nH]cc(CCNC(=O)C(c3ccccc3)c3ccccc3)c2c1 ZINC000013655372 210075556 /nfs/dbraw/zinc/07/55/56/210075556.db2.gz IEBKEYIXCRCZCT-UHFFFAOYSA-N 0 0 384.479 4.667 50 0 biogenic GJAARN O=C(COc1ccccc1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000013625564 210072701 /nfs/dbraw/zinc/07/27/01/210072701.db2.gz XHBJLEZJGADRDL-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013495005 210064166 /nfs/dbraw/zinc/06/41/66/210064166.db2.gz OEMSKEGXPMNYJA-OAHLLOKOSA-N 0 0 393.487 4.924 50 0 GJAARN CCOC(=O)/C(=C\OCCOc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000013471140 210063458 /nfs/dbraw/zinc/06/34/58/210063458.db2.gz ZPLRPZVWZCGVQE-SSZFMOIBSA-N 0 0 381.255 4.993 50 0 GJAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCc1ccccc1 ZINC000013368968 210058634 /nfs/dbraw/zinc/05/86/34/210058634.db2.gz UUJFNZQNFHWTNY-UHFFFAOYSA-N 0 0 389.886 4.716 50 0 GJAARN Cc1nc2c(s1)c(-c1ccco1)nn(Cc1ccc(Cl)cc1Cl)c2=O ZINC000013010593 210046279 /nfs/dbraw/zinc/04/62/79/210046279.db2.gz JNPRFGHKPVCJHN-UHFFFAOYSA-N 0 0 392.267 4.777 50 0 GJAARN Cc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000013004099 210045893 /nfs/dbraw/zinc/04/58/93/210045893.db2.gz MFDIAQJBMRXQSF-YBEGLDIGSA-N 0 0 387.867 4.653 50 0 GJAARN CC(=O)N[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000013018770 210046904 /nfs/dbraw/zinc/04/69/04/210046904.db2.gz GYXSNTUBUAKWKU-MRXNPFEDSA-N 0 0 384.785 4.565 50 0 GJAARN O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccccc1F ZINC000013012144 210046960 /nfs/dbraw/zinc/04/69/60/210046960.db2.gz QNIMHPIUGDHWPG-UHFFFAOYSA-N 0 0 391.265 4.888 50 0 GJAARN COc1ccc(CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000012998546 210044535 /nfs/dbraw/zinc/04/45/35/210044535.db2.gz DFLYBKKBKWEAOI-UHFFFAOYSA-N 0 0 389.455 4.911 50 0 GJAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)cc1Cl ZINC000012994950 210041992 /nfs/dbraw/zinc/04/19/92/210041992.db2.gz JVTIQXHTVRMISL-LJQANCHMSA-N 0 0 392.858 4.997 50 0 GJAARN CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(OC)cc1 ZINC000012971595 210035998 /nfs/dbraw/zinc/03/59/98/210035998.db2.gz VZVUKJPYAQMDJK-LBPRGKRZSA-N 0 0 387.509 4.507 50 0 GJAARN COc1cc(OC)c(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1Cl ZINC000012971735 210035716 /nfs/dbraw/zinc/03/57/16/210035716.db2.gz DYOLWFIZPGWXAM-UHFFFAOYSA-N 0 0 382.847 4.980 50 0 GJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1c(F)cccc1F ZINC000012943691 210034315 /nfs/dbraw/zinc/03/43/15/210034315.db2.gz ORMBXXPPLPNOAF-NRFANRHFSA-N 0 0 384.451 4.613 50 0 GJAARN CCc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012927076 210032321 /nfs/dbraw/zinc/03/23/21/210032321.db2.gz BJUJZLBQMYYBCS-HSZRJFAPSA-N 0 0 376.525 4.897 50 0 GJAARN CCOc1ccc(Oc2ccc(NC(=O)CCCCCNC(C)=O)cc2)cc1 ZINC000012919229 210030009 /nfs/dbraw/zinc/03/00/09/210030009.db2.gz BGNOCRMGDJFPAH-UHFFFAOYSA-N 0 0 384.476 4.513 50 0 GJAARN Cc1sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)nc1-c1ccc(F)cc1 ZINC000012915851 210026983 /nfs/dbraw/zinc/02/69/83/210026983.db2.gz NQRRSOKNDMOWOM-UHFFFAOYSA-N 0 0 395.463 4.836 50 0 GJAARN COc1ccc(OCCSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 ZINC000012854660 210019330 /nfs/dbraw/zinc/01/93/30/210019330.db2.gz VUDMKHDTQXFHDB-CYBMUJFWSA-N 0 0 390.436 4.528 50 0 GJAARN COc1ccc(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012855512 210018791 /nfs/dbraw/zinc/01/87/91/210018791.db2.gz AOFMOBWRZHWBGM-HSZRJFAPSA-N 0 0 377.509 4.864 50 0 GJAARN CN(Cn1nc2ccccn2c1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012819828 210015443 /nfs/dbraw/zinc/01/54/43/210015443.db2.gz VTPBOOAKTTUWDF-FQEVSTJZSA-N 0 0 378.476 4.683 50 0 GJAARN COc1cccc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 ZINC000012781061 210008193 /nfs/dbraw/zinc/00/81/93/210008193.db2.gz HKXMPSURZGQMEZ-UHFFFAOYSA-N 0 0 378.497 4.788 50 0 GJAARN CCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)cc1 ZINC000012780145 210007899 /nfs/dbraw/zinc/00/78/99/210007899.db2.gz PHURLHJBNBCPJB-UHFFFAOYSA-N 0 0 385.529 4.591 50 0 GJAARN Cc1ccc(NC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c(Br)c1 ZINC000012773226 210006843 /nfs/dbraw/zinc/00/68/43/210006843.db2.gz XFWUCJMKVPQGCT-UHFFFAOYSA-N 0 0 395.341 4.561 50 0 GJAARN Cc1cc(C)c(NC(=O)c2ccccc2I)c(Cl)c1 ZINC000012800606 210011784 /nfs/dbraw/zinc/01/17/84/210011784.db2.gz SNTLQDLQUSTXKP-UHFFFAOYSA-N 0 0 385.632 4.814 50 0 GJAARN Cc1cnc(C(=O)N(Cc2ccccc2)c2nc3c(ccc(C)c3C)s2)cn1 ZINC000012803159 210011605 /nfs/dbraw/zinc/01/16/05/210011605.db2.gz OFJQVZZIGKHNFZ-UHFFFAOYSA-N 0 0 388.496 4.859 50 0 GJAARN O=C(Nn1cnc2ccccc21)c1ccccc1OCc1ccc(Cl)cc1 ZINC000012798464 210011284 /nfs/dbraw/zinc/01/12/84/210011284.db2.gz CTSWNWQIMJAGLS-UHFFFAOYSA-N 0 0 377.831 4.653 50 0 GJAARN CCOc1ccccc1N(C(=O)c1cnc(C)cn1)c1nc2ccccc2s1 ZINC000012798691 210011116 /nfs/dbraw/zinc/01/11/16/210011116.db2.gz RSIJCHWVAUBHKU-UHFFFAOYSA-N 0 0 390.468 4.772 50 0 GJAARN C[C@@H](SCc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012791675 210009415 /nfs/dbraw/zinc/00/94/15/210009415.db2.gz HVPIGJYONFAVGZ-MRXNPFEDSA-N 0 0 377.513 4.621 50 0 GJAARN COc1ccc(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000012753769 210001970 /nfs/dbraw/zinc/00/19/70/210001970.db2.gz PXDBWYMPGCUPPU-OAQYLSRUSA-N 0 0 385.529 4.940 50 0 GJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)o1 ZINC000012764695 210005065 /nfs/dbraw/zinc/00/50/65/210005065.db2.gz KFRZSAIZHAXMPP-UHFFFAOYSA-N 0 0 383.451 4.984 50 0 GJAARN COc1ccc(OCc2cc(C(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1 ZINC000012766354 210005177 /nfs/dbraw/zinc/00/51/77/210005177.db2.gz VYCXFDGKQMPQFA-HSZRJFAPSA-N 0 0 391.467 4.983 50 0 GJAARN Cc1nc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1C ZINC000012553001 209975161 /nfs/dbraw/zinc/97/51/61/209975161.db2.gz HLNNMTOJOPSXPO-WMLDXEAASA-N 0 0 378.925 4.696 50 0 GJAARN CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3ccccc3)nc21 ZINC000012539492 209971508 /nfs/dbraw/zinc/97/15/08/209971508.db2.gz UFHJDBFWCYKBJQ-CQSZACIVSA-N 0 0 391.500 4.509 50 0 GJAARN COc1ccc(-n2cnnc2SCc2cc3ccccc3nc2Cl)cc1 ZINC000012534575 209969460 /nfs/dbraw/zinc/96/94/60/209969460.db2.gz WEWRHBOFIBWFEK-UHFFFAOYSA-N 0 0 382.876 4.770 50 0 GJAARN O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NCc1ccccc1 ZINC000012323556 209941900 /nfs/dbraw/zinc/94/19/00/209941900.db2.gz TUCOMVUJRAOKMD-UHFFFAOYSA-N 0 0 377.296 4.976 50 0 GJAARN CC(=O)N(Cc1cc2ccc(C)cc2nc1-c1cccs1)C[C@@H]1CCCO1 ZINC000012158310 209915559 /nfs/dbraw/zinc/91/55/59/209915559.db2.gz BQDBEZCVBVDOHO-IBGZPJMESA-N 0 0 380.513 4.799 50 0 GJAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1C ZINC000011814770 209884142 /nfs/dbraw/zinc/88/41/42/209884142.db2.gz UXLRJXUMSKLQOG-LJQANCHMSA-N 0 0 390.483 4.528 50 0 GJAARN Cc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2ccc(C)cc32)cc1 ZINC000009725527 209844648 /nfs/dbraw/zinc/84/46/48/209844648.db2.gz UEFPMQXGSVDECZ-UHFFFAOYSA-N 0 0 398.510 4.927 50 0 GJAARN O=C(Nc1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c1)C1CC1 ZINC000009592835 209837250 /nfs/dbraw/zinc/83/72/50/209837250.db2.gz CMVCVACYXCYXAP-UHFFFAOYSA-N 0 0 392.480 4.987 50 0 GJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000009573427 209835342 /nfs/dbraw/zinc/83/53/42/209835342.db2.gz UILXXYNKKIXXDU-UHFFFAOYSA-N 0 0 381.505 4.689 50 0 GJAARN C(=C(c1ccccc1)c1ccccc1)c1nn2c(nnc2-c2ccccn2)s1 ZINC000009576666 209835080 /nfs/dbraw/zinc/83/50/80/209835080.db2.gz WCZDUGFIVPKBRF-UHFFFAOYSA-N 0 0 381.464 4.837 50 0 GJAARN Cc1nc2cc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)ccc2o1 ZINC000009549899 209834162 /nfs/dbraw/zinc/83/41/62/209834162.db2.gz MMTVYAUBZCYMMK-UHFFFAOYSA-N 0 0 377.425 4.702 50 0 GJAARN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc2ncccc21 ZINC000009419344 209827603 /nfs/dbraw/zinc/82/76/03/209827603.db2.gz TUAZWLHLGIZQMA-UHFFFAOYSA-N 0 0 378.819 4.510 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000008724411 209795565 /nfs/dbraw/zinc/79/55/65/209795565.db2.gz LOXRGRGZTIXOHK-OAQYLSRUSA-N 0 0 383.463 4.941 50 0 GJAARN Cc1ccc(C(=O)Nc2cccc([C@H]3Nc4ccccc4C(=O)N3C3CC3)c2)cc1 ZINC000008704821 209793000 /nfs/dbraw/zinc/79/30/00/209793000.db2.gz OHTFLBYOYKJMAJ-QHCPKHFHSA-N 0 0 397.478 4.976 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(O)c(Br)c2)N1C1CCCC1 ZINC000008703988 209792988 /nfs/dbraw/zinc/79/29/88/209792988.db2.gz CPZUGMAKWWJTCO-SFHVURJKSA-N 0 0 387.277 4.664 50 0 GJAARN O=C(Nc1ccc(OC(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000007921476 209752546 /nfs/dbraw/zinc/75/25/46/209752546.db2.gz NDRYKGJNEOAEIV-UHFFFAOYSA-N 0 0 398.394 4.607 50 0 GJAARN CSc1nnc(CCCNC(=O)c2oc3ccccc3c2C)n1C1CCCC1 ZINC000007951663 209751712 /nfs/dbraw/zinc/75/17/12/209751712.db2.gz LHVJCSFAOPIPGY-UHFFFAOYSA-N 0 0 398.532 4.532 50 0 GJAARN COc1ccc(-c2noc(CN(C(=O)c3ccccc3)C3CCCCC3)n2)cc1 ZINC000007720099 209742531 /nfs/dbraw/zinc/74/25/31/209742531.db2.gz LYWONKPFHRUAEY-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 GJAARN Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1 ZINC000007195556 209723066 /nfs/dbraw/zinc/72/30/66/209723066.db2.gz QIHKFWSIHMQQLG-JGGQBBKZSA-N 0 0 378.494 4.734 50 0 GJAARN C[C@@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)c1ccc(F)cc1 ZINC000007137691 209722014 /nfs/dbraw/zinc/72/20/14/209722014.db2.gz CWUQIZPKGXTYRA-NWDGAFQWSA-N 0 0 390.411 4.851 50 0 GJAARN Fc1ccccc1Cc1nnc2n1N=C(c1ccc(Cl)cc1Cl)CS2 ZINC000007160150 209721378 /nfs/dbraw/zinc/72/13/78/209721378.db2.gz OGGFFWQTYPLUGK-UHFFFAOYSA-N 0 0 393.274 4.673 50 0 GJAARN COC(=O)c1c(C)c2ccccc2nc1CSc1ncnc2ccccc21 ZINC000006991397 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GJAARN Cc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000000693739 209260359 /nfs/dbraw/zinc/26/03/59/209260359.db2.gz PTJUHXJEVKIVCV-UHFFFAOYSA-N 0 0 392.503 4.872 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 ZINC000000677428 209258437 /nfs/dbraw/zinc/25/84/37/209258437.db2.gz NTJSGVFQTAEXER-UHFFFAOYSA-N 0 0 392.386 4.903 50 0 GJAARN CO[C@@]12C=C[C@@H](c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1 ZINC000000651202 209254968 /nfs/dbraw/zinc/25/49/68/209254968.db2.gz BYJSNFYGRMNWPX-JKYUHCHBSA-N 0 0 382.070 4.942 50 0 GJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccccc1 ZINC000000650613 209255037 /nfs/dbraw/zinc/25/50/37/209255037.db2.gz BGMUSXXCUJHTIO-UHFFFAOYSA-N 0 0 387.892 4.505 50 0 GJAARN COc1cc(NC(=O)/C=C/c2ccc(Br)cc2)c(OC)cc1Cl ZINC000000657348 209255117 /nfs/dbraw/zinc/25/51/17/209255117.db2.gz RKZQBFHUOQLGNY-VMPITWQZSA-N 0 0 396.668 4.772 50 0 GJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[C@@H](C(C)(C)C)CC2 ZINC000000643883 209254162 /nfs/dbraw/zinc/25/41/62/209254162.db2.gz KPBGMDZLXSCLHA-AWEZNQCLSA-N 0 0 384.545 4.819 50 0 GJAARN Fc1ccc(Cc2nnc3sc(-c4ccccc4C(F)(F)F)nn23)cc1 ZINC000000632798 209252783 /nfs/dbraw/zinc/25/27/83/209252783.db2.gz CJSYOTSWNVYIGN-UHFFFAOYSA-N 0 0 378.354 4.602 50 0 GJAARN Cc1ccc(NC(=O)COc2cccc3ccc(C)nc32)c(Br)c1 ZINC000000645881 209253627 /nfs/dbraw/zinc/25/36/27/209253627.db2.gz OMZXTUGRXCZEJB-UHFFFAOYSA-N 0 0 385.261 4.632 50 0 GJAARN COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 ZINC000000633028 209252535 /nfs/dbraw/zinc/25/25/35/209252535.db2.gz BBNNYJMGPAHRGN-UHFFFAOYSA-N 0 0 397.434 4.578 50 0 GJAARN Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000630024 209251324 /nfs/dbraw/zinc/25/13/24/209251324.db2.gz XHSRYWPZUVWILK-BBITVKMKSA-N 0 0 379.459 4.700 50 0 GJAARN O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000000622861 209250639 /nfs/dbraw/zinc/25/06/39/209250639.db2.gz JLHCSWXLGLDDKF-UHFFFAOYSA-N 0 0 395.894 4.897 50 0 GJAARN O=C(CCC1CCCC1)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 ZINC000009038236 209247975 /nfs/dbraw/zinc/24/79/75/209247975.db2.gz GTXBCNRPTUTJPO-UHFFFAOYSA-N 0 0 376.500 4.794 50 0 GJAARN COc1ccc(-c2coc3c(ccc4c3CN(Cc3ccccc3)CO4)c2=O)cc1 ZINC000013718450 209235629 /nfs/dbraw/zinc/23/56/29/209235629.db2.gz IUSBEUWSRQSGBC-UHFFFAOYSA-N 0 0 399.446 4.821 50 0 biogenic GJAARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)cc1 ZINC000001448037 209227050 /nfs/dbraw/zinc/22/70/50/209227050.db2.gz FCBWHMVNGWZRKK-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 GJAARN COc1ccccc1Oc1coc2cc(OC(=O)c3cccs3)ccc2c1=O ZINC000001130698 209226928 /nfs/dbraw/zinc/22/69/28/209226928.db2.gz DVUAZVLCKCDPRJ-UHFFFAOYSA-N 0 0 394.404 4.875 50 0 GJAARN CC(C)n1nccc1[C@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263587317 209224217 /nfs/dbraw/zinc/22/42/17/209224217.db2.gz FLOFFLYMBTZREN-SFHVURJKSA-N 0 0 384.483 4.941 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC2CCC2)[C@H]1c1cccs1 ZINC000257173747 209223950 /nfs/dbraw/zinc/22/39/50/209223950.db2.gz WCQHAQGXBPETAL-LEWJYISDSA-N 0 0 396.556 4.601 50 0 GJAARN O=C(N1CCC(Oc2ccncc2Cl)CC1)C1(c2cccs2)CCCC1 ZINC000253470996 209219671 /nfs/dbraw/zinc/21/96/71/209219671.db2.gz AKYRNKXJLRJQSS-UHFFFAOYSA-N 0 0 390.936 4.678 50 0 GJAARN Cc1oc2c(ccc3c2CN(Cc2cccnc2)CO3)c(=O)c1-c1ccccc1 ZINC000054313298 209213709 /nfs/dbraw/zinc/21/37/09/209213709.db2.gz ZKDGVZQMMBNHEG-UHFFFAOYSA-N 0 0 384.435 4.516 50 0 biogenic GJAARN CCn1c(C)cc2cc(NC(=O)N3CCCC[C@@H]3CCn3ccnc3)ccc21 ZINC000299791908 212039479 /nfs/dbraw/zinc/03/94/79/212039479.db2.gz DANDEPANFMKYRA-HXUWFJFHSA-N 0 0 379.508 4.643 50 0 GJAARN COc1cccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc21 ZINC000328597050 203759860 /nfs/dbraw/zinc/75/98/60/203759860.db2.gz CVIJRROHERGFHR-LJQANCHMSA-N 0 0 393.874 4.903 50 0 GJAARN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc4c(c(Cl)c3)OCO4)nc12 ZINC000096403136 203833770 /nfs/dbraw/zinc/83/37/70/203833770.db2.gz LFDHSNKZQRLLRW-AWNIVKPZSA-N 0 0 375.211 4.763 50 0 GJAARN COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(Cl)c1OC(C)C ZINC000000662882 203846774 /nfs/dbraw/zinc/84/67/74/203846774.db2.gz VQUGPLGTOKJPOC-CXUHLZMHSA-N 0 0 389.810 4.619 50 0 GJAARN O=C(N[C@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000622961 203841608 /nfs/dbraw/zinc/84/16/08/203841608.db2.gz CCMXJYDQPCBJRQ-FQEVSTJZSA-N 0 0 382.822 4.530 50 0 GJAARN O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cc(-c2cccs2)on1 ZINC000244975137 203812605 /nfs/dbraw/zinc/81/26/05/203812605.db2.gz IDBYCGQWBMEKGH-UHFFFAOYSA-N 0 0 394.481 4.625 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC2CCC2)[C@@H]1c1cccs1 ZINC000257173750 203820008 /nfs/dbraw/zinc/82/00/08/203820008.db2.gz WCQHAQGXBPETAL-SFTDATJTSA-N 0 0 396.556 4.601 50 0 GJAARN COc1ccc(-c2noc(-c3cccn3Cc3cc(F)cc(F)c3)n2)cc1OC ZINC000263619366 203821391 /nfs/dbraw/zinc/82/13/91/203821391.db2.gz YJUKMLYWTCPJAY-UHFFFAOYSA-N 0 0 397.381 4.549 50 0 GJAARN Cc1ccc(C)c(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)c1 ZINC000000948946 203822166 /nfs/dbraw/zinc/82/21/66/203822166.db2.gz KIUOHOATNGCPFY-UHFFFAOYSA-N 0 0 396.439 4.780 50 0 biogenic GJAARN COc1ccc(C(=O)COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 ZINC000000623924 203822836 /nfs/dbraw/zinc/82/28/36/203822836.db2.gz MUCGXQQMTFWCDI-UHFFFAOYSA-N 0 0 382.412 4.577 50 0 biogenic GJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000001173481 203892380 /nfs/dbraw/zinc/89/23/80/203892380.db2.gz BKUVLAXJJGEBNH-UHFFFAOYSA-N 0 0 399.299 4.528 50 0 GJAARN CCOc1ccccc1N1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000001199936 203895414 /nfs/dbraw/zinc/89/54/14/203895414.db2.gz WSODGFPKIJCUMS-NTCAYCPXSA-N 0 0 392.543 4.745 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000001208729 203896660 /nfs/dbraw/zinc/89/66/60/203896660.db2.gz FWWUWAZTVNYUKS-UHFFFAOYSA-N 0 0 393.283 4.994 50 0 GJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C)c3)c2c1 ZINC000000952858 203868001 /nfs/dbraw/zinc/86/80/01/203868001.db2.gz QAECJQUEYNVTOY-UHFFFAOYSA-N 0 0 378.428 4.640 50 0 GJAARN Cc1ccc(C)c(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000000971183 203869125 /nfs/dbraw/zinc/86/91/25/203869125.db2.gz YXPVWTFKXWIEIU-QGZVFWFLSA-N 0 0 385.722 4.771 50 0 GJAARN CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000000990288 203870994 /nfs/dbraw/zinc/87/09/94/203870994.db2.gz GCTQLQNDIMAPKA-UHFFFAOYSA-N 0 0 392.238 4.607 50 0 GJAARN Cc1ccsc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000001013154 203872618 /nfs/dbraw/zinc/87/26/18/203872618.db2.gz DBNVWBVLCFPRDW-GIDUJCDVSA-N 0 0 393.873 4.675 50 0 GJAARN COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1 ZINC000001054955 203878213 /nfs/dbraw/zinc/87/82/13/203878213.db2.gz IVEJUXHRAWWDHH-UHFFFAOYSA-N 0 0 380.469 4.878 50 0 GJAARN COc1cccc(C(=O)Oc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)c1 ZINC000001076445 203880737 /nfs/dbraw/zinc/88/07/37/203880737.db2.gz KTIIWVIJLFSRRE-UHFFFAOYSA-N 0 0 390.366 4.827 50 0 GJAARN O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cc2ccccc2o1 ZINC000001098753 203883611 /nfs/dbraw/zinc/88/36/11/203883611.db2.gz JSBYBQQJBODFAV-UHFFFAOYSA-N 0 0 387.464 4.545 50 0 GJAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000001092933 203883699 /nfs/dbraw/zinc/88/36/99/203883699.db2.gz WOMRTXORNZLNNK-UHFFFAOYSA-N 0 0 379.485 4.550 50 0 GJAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2ccccc2N(Cc2ccc(C)cc2)C1=O ZINC000001121025 203885994 /nfs/dbraw/zinc/88/59/94/203885994.db2.gz PBAUOFOXSCMFQF-RUZDIDTESA-N 0 0 382.463 4.567 50 0 GJAARN O=C(CSc1ncccn1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001299452 203901188 /nfs/dbraw/zinc/90/11/88/203901188.db2.gz BVYHURLTAYMZMC-UHFFFAOYSA-N 0 0 388.452 4.529 50 0 GJAARN O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000001392378 203904850 /nfs/dbraw/zinc/90/48/50/203904850.db2.gz CHRUFZISMPINDK-IBGZPJMESA-N 0 0 385.872 4.669 50 0 GJAARN Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000001403967 203907053 /nfs/dbraw/zinc/90/70/53/203907053.db2.gz QZMKTQWTPCUZOG-UHFFFAOYSA-N 0 0 386.373 4.503 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000001453769 203910889 /nfs/dbraw/zinc/91/08/89/203910889.db2.gz XGDNAHHETPDYMY-RBBKRZOGSA-N 0 0 391.858 4.986 50 0 GJAARN CC(C)OC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCC2 ZINC000002103351 203927179 /nfs/dbraw/zinc/92/71/79/203927179.db2.gz FQNBTAUEZXHAJO-MRXNPFEDSA-N 0 0 390.332 4.715 50 0 GJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)cc1OCC ZINC000002119849 203927628 /nfs/dbraw/zinc/92/76/28/203927628.db2.gz YZNWBBJBTAFQCP-CPNJWEJPSA-N 0 0 398.484 4.590 50 0 GJAARN Fc1ccc(Cc2nnc3sc(Cc4ccc(Cl)cc4Cl)nn23)cc1 ZINC000002182980 203929762 /nfs/dbraw/zinc/92/97/62/203929762.db2.gz PQXYWBMKVSEZTM-UHFFFAOYSA-N 0 0 393.274 4.813 50 0 GJAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1F ZINC000002234065 203932832 /nfs/dbraw/zinc/93/28/32/203932832.db2.gz LQCZFJWQVPACBF-UHFFFAOYSA-N 0 0 381.432 4.967 50 0 GJAARN CCCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000002461065 203945914 /nfs/dbraw/zinc/94/59/14/203945914.db2.gz USXMXPQKACWDRF-UHFFFAOYSA-N 0 0 377.487 4.968 50 0 GJAARN CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1 ZINC000002424506 203943642 /nfs/dbraw/zinc/94/36/42/203943642.db2.gz MQMRWVKAIYNIIQ-HXUWFJFHSA-N 0 0 399.494 4.694 50 0 GJAARN Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4)nc3C2)cc1 ZINC000002425407 203944162 /nfs/dbraw/zinc/94/41/62/203944162.db2.gz AQQAWODQALHEEF-MRXNPFEDSA-N 0 0 391.858 4.603 50 0 GJAARN O=C(Nc1nnc(COc2ccc(F)cc2)s1)Nc1cccc(Cl)c1 ZINC000001213704 203898351 /nfs/dbraw/zinc/89/83/51/203898351.db2.gz FLZSXYAQOBKSCK-UHFFFAOYSA-N 0 0 378.816 4.554 50 0 GJAARN CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000002720952 203958729 /nfs/dbraw/zinc/95/87/29/203958729.db2.gz BYVHDIZWQCGGJT-UHFFFAOYSA-N 0 0 389.402 4.998 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000002767099 203961035 /nfs/dbraw/zinc/96/10/35/203961035.db2.gz VQDZQVCSTACQHD-UHFFFAOYSA-N 0 0 378.428 4.859 50 0 GJAARN Fc1ccc(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1F ZINC000002806595 203966241 /nfs/dbraw/zinc/96/62/41/203966241.db2.gz 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Cc1cc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c(C)s1 ZINC000039979696 205044038 /nfs/dbraw/zinc/04/40/38/205044038.db2.gz FRXUZKOCGCMHLN-KRWDZBQOSA-N 0 0 381.519 4.633 50 0 GJAARN CCOc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccnc1 ZINC000040068813 205048655 /nfs/dbraw/zinc/04/86/55/205048655.db2.gz ROZAJMGFAGBATC-KRWDZBQOSA-N 0 0 376.456 4.550 50 0 GJAARN COc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)o1 ZINC000040131327 205057110 /nfs/dbraw/zinc/05/71/10/205057110.db2.gz AAHMSHRWAYVQIL-UHFFFAOYSA-N 0 0 395.430 4.811 50 0 GJAARN COc1ccc(Br)cc1[C@@H]1CC(=O)Nc2c1ncn2-c1ccccc1 ZINC000040284979 205061261 /nfs/dbraw/zinc/06/12/61/205061261.db2.gz AKFANNAAEHGRQF-HNNXBMFYSA-N 0 0 398.260 4.767 50 0 GJAARN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(Oc2nc(C)nc(Cl)c2N)c1C ZINC000040428576 205065856 /nfs/dbraw/zinc/06/58/56/205065856.db2.gz KFNPLRGOTYAZTR-UHFFFAOYSA-N 0 0 397.788 4.634 50 0 GJAARN Cc1c(C(=O)N(C)Cc2ccc(O)cc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000041677616 205080450 /nfs/dbraw/zinc/08/04/50/205080450.db2.gz PTEWFPKCLAXBQB-UHFFFAOYSA-N 0 0 393.468 4.546 50 0 GJAARN Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(Cc2ccccc2)n1 ZINC000044046666 205084777 /nfs/dbraw/zinc/08/47/77/205084777.db2.gz MZJIPSOCBKKCCJ-UHFFFAOYSA-N 0 0 388.496 4.545 50 0 GJAARN Cc1ccccc1[C@H](CCO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044198353 205085357 /nfs/dbraw/zinc/08/53/57/205085357.db2.gz BNVMCPRAJZFRRG-DEOSSOPVSA-N 0 0 387.479 4.957 50 0 GJAARN COc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3cccc(F)c3)c2c1 ZINC000044168087 205085555 /nfs/dbraw/zinc/08/55/55/205085555.db2.gz GKHYRDNPVIFQEH-UHFFFAOYSA-N 0 0 379.435 4.752 50 0 GJAARN O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000044775914 205086698 /nfs/dbraw/zinc/08/66/98/205086698.db2.gz GQEYTJGOFVVFTJ-HOTGVXAUSA-N 0 0 380.538 4.993 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000044874325 205088113 /nfs/dbraw/zinc/08/81/13/205088113.db2.gz AKQKBHFLQDGQJS-VXGBXAGGSA-N 0 0 398.406 4.846 50 0 GJAARN CC(C)c1nc([C@H](C)Nc2ccc(F)cc2S(=O)(=O)C(F)(F)F)cs1 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CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cccs2)c1 ZINC000057572433 205159051 /nfs/dbraw/zinc/15/90/51/205159051.db2.gz VQNIRJWNGZRBGN-OAQYLSRUSA-N 0 0 378.497 4.763 50 0 GJAARN CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)CC1 ZINC000055057213 205142257 /nfs/dbraw/zinc/14/22/57/205142257.db2.gz DXTKHHUJLGSMIX-UHFFFAOYSA-N 0 0 393.918 4.641 50 0 GJAARN Cc1ccsc1CN(C(=O)CCSc1nnc(C)s1)C1CCCC1 ZINC000055358687 205147487 /nfs/dbraw/zinc/14/74/87/205147487.db2.gz LVBUIYKRWSPTAI-UHFFFAOYSA-N 0 0 381.592 4.670 50 0 GJAARN CCc1ccc(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447614 205149649 /nfs/dbraw/zinc/14/96/49/205149649.db2.gz LYHJEACKGZESEW-XMMPIXPASA-N 0 0 397.526 4.755 50 0 GJAARN O=C(C1CCN(CC(F)(F)F)CC1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056363057 205151642 /nfs/dbraw/zinc/15/16/42/205151642.db2.gz QNBDBGJLLMMPDR-HXUWFJFHSA-N 0 0 390.449 4.778 50 0 GJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1F ZINC000057486709 205158226 /nfs/dbraw/zinc/15/82/26/205158226.db2.gz LHVPWNUKGSPPLS-UHFFFAOYSA-N 0 0 396.809 4.636 50 0 GJAARN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCC[C@H]1c1cccs1 ZINC000049757643 205130636 /nfs/dbraw/zinc/13/06/36/205130636.db2.gz LSLCSXBTCOGEEP-XLIONFOSSA-N 0 0 390.508 4.618 50 0 GJAARN C/C=C\c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000050647551 205131414 /nfs/dbraw/zinc/13/14/14/205131414.db2.gz OKHVQQKLWDUZLL-LKJUBWIJSA-N 0 0 391.471 4.591 50 0 GJAARN Cc1c(Cl)cccc1Nc1nnc(SCc2nnc(C3CC3)o2)s1 ZINC000063535271 205185873 /nfs/dbraw/zinc/18/58/73/205185873.db2.gz KOLNYJRVZFSRQP-UHFFFAOYSA-N 0 0 379.898 4.796 50 0 GJAARN O=C(NC1CCC(O)CC1)c1oc2ccccc2c1CSc1cccs1 ZINC000063837636 205186972 /nfs/dbraw/zinc/18/69/72/205186972.db2.gz VTIZARZBOXRXDX-UHFFFAOYSA-N 0 0 387.526 4.820 50 0 GJAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)o1 ZINC000057586404 205159647 /nfs/dbraw/zinc/15/96/47/205159647.db2.gz PWOXRCKUHIMPHE-UHFFFAOYSA-N 0 0 380.231 4.687 50 0 GJAARN CCCCc1ccc(NC(=O)Cn2cnc3c4ccccc4sc3c2=O)cc1 ZINC000057508006 205159662 /nfs/dbraw/zinc/15/96/62/205159662.db2.gz ZJNLSYLHSVPFIR-UHFFFAOYSA-N 0 0 391.496 4.593 50 0 GJAARN Cc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(-c2cccc(Cl)c2)n1 ZINC000057526959 205159879 /nfs/dbraw/zinc/15/98/79/205159879.db2.gz VGJXTIFBNOYXQF-UHFFFAOYSA-N 0 0 395.890 4.634 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)[C@@H](OC[C@@H]3CCCO3)C(C)C)n2)cc1C ZINC000058014515 205163284 /nfs/dbraw/zinc/16/32/84/205163284.db2.gz AWHSEVQBKSHSTG-HKUYNNGSSA-N 0 0 388.533 4.586 50 0 GJAARN COc1cccc(CC(=O)N[C@H]2CCCc3nc(-c4ccccc4)sc32)c1 ZINC000058098204 205164924 /nfs/dbraw/zinc/16/49/24/205164924.db2.gz RAODACWLRYRVKY-SFHVURJKSA-N 0 0 378.497 4.555 50 0 GJAARN CCn1c(=S)n(CN2CCCC[C@@H]2Cc2ccccc2)nc1-c1ccco1 ZINC000058158694 205165593 /nfs/dbraw/zinc/16/55/93/205165593.db2.gz PJTWPTOOHHJOOF-GOSISDBHSA-N 0 0 382.533 4.749 50 0 GJAARN O=C(Nc1cnn(Cc2ccccc2)c1)Nc1cccnc1Oc1ccccc1 ZINC000058175633 205167555 /nfs/dbraw/zinc/16/75/55/205167555.db2.gz PYXCKMLGELMESC-UHFFFAOYSA-N 0 0 385.427 4.763 50 0 GJAARN Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c(C)n1CC(F)(F)F ZINC000058260938 205170560 /nfs/dbraw/zinc/17/05/60/205170560.db2.gz GGTHBEGMUPKDJR-GOSISDBHSA-N 0 0 379.426 4.820 50 0 GJAARN Cc1cccc(N(CCC(N)=O)CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000058282244 205172405 /nfs/dbraw/zinc/17/24/05/205172405.db2.gz GZTNFKXIHAJBLK-UHFFFAOYSA-N 0 0 395.547 4.562 50 0 GJAARN Clc1cncc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 ZINC000058415596 205175061 /nfs/dbraw/zinc/17/50/61/205175061.db2.gz WVKSMUTWZIJBKM-UHFFFAOYSA-N 0 0 375.863 4.654 50 0 GJAARN O=C(Nc1ccccc1O)c1csc(-c2cc(Br)cs2)n1 ZINC000059856825 205180069 /nfs/dbraw/zinc/18/00/69/205180069.db2.gz HYBIEAPREPRUFM-UHFFFAOYSA-N 0 0 381.276 4.592 50 0 GJAARN CS(=O)(=O)c1ccc(Oc2nc(-c3ccsc3)nc3ccccc32)cc1 ZINC000060847928 205181146 /nfs/dbraw/zinc/18/11/46/205181146.db2.gz WAOIGGNJLUONBW-UHFFFAOYSA-N 0 0 382.466 4.554 50 0 GJAARN Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnc(C4CC4)nc3)nc2c1C ZINC000063872570 205188598 /nfs/dbraw/zinc/18/85/98/205188598.db2.gz ANBYAGNKWYEWSG-HNNXBMFYSA-N 0 0 386.499 4.811 50 0 GJAARN Cc1ccc(-c2nc(COC(=O)c3cc4sc(N(C)C)nc4s3)co2)cc1 ZINC000062279228 205185150 /nfs/dbraw/zinc/18/51/50/205185150.db2.gz PMYGCBSRCAWFIL-UHFFFAOYSA-N 0 0 399.497 4.744 50 0 GJAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1c(Cl)nc2ccccn21 ZINC000062286595 205185531 /nfs/dbraw/zinc/18/55/31/205185531.db2.gz JGBURJDOUYMIOW-UHFFFAOYSA-N 0 0 383.757 4.658 50 0 GJAARN Cc1ccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C)c1 ZINC000064847949 205198714 /nfs/dbraw/zinc/19/87/14/205198714.db2.gz SMPAQWJSWANVRW-QGZVFWFLSA-N 0 0 397.494 4.961 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858487 205198782 /nfs/dbraw/zinc/19/87/82/205198782.db2.gz FMHLONKXJHHDGM-UHFFFAOYSA-N 0 0 395.865 4.827 50 0 biogenic GJAARN Cc1ccc(-n2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 ZINC000064949586 205201873 /nfs/dbraw/zinc/20/18/73/205201873.db2.gz HIZXPCAFDVTKCA-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN Cc1ccc(Cn2cccc2CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000064959396 205203354 /nfs/dbraw/zinc/20/33/54/205203354.db2.gz ZBYTXVWVMHBHHZ-UHFFFAOYSA-N 0 0 396.556 4.621 50 0 GJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000064983849 205204732 /nfs/dbraw/zinc/20/47/32/205204732.db2.gz PBSDQSRLSMBCHU-LJQANCHMSA-N 0 0 379.909 4.655 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccccc2Cl)cc1 ZINC000064983924 205204760 /nfs/dbraw/zinc/20/47/60/205204760.db2.gz ZLRSSGKGQNSWEH-LJQANCHMSA-N 0 0 379.909 4.655 50 0 GJAARN O=S(=O)(NC1CCCCCCC1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004030 205205450 /nfs/dbraw/zinc/20/54/50/205205450.db2.gz ZVDSBHJNRSSGNK-UHFFFAOYSA-N 0 0 380.535 4.672 50 0 GJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4C)cc32)c1 ZINC000064990845 205206357 /nfs/dbraw/zinc/20/63/57/205206357.db2.gz CXQYTIQEVOFJRQ-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN CC(=O)NCc1nc(-c2ccc(-c3csc(-c4ccc(C)s4)n3)cc2)no1 ZINC000065032415 205207129 /nfs/dbraw/zinc/20/71/29/205207129.db2.gz FWLZDFPPFOGANQ-UHFFFAOYSA-N 0 0 396.497 4.533 50 0 GJAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3cnc(N4CCCC4)nc3)cc2)cc1 ZINC000065025482 205207227 /nfs/dbraw/zinc/20/72/27/205207227.db2.gz WBDRESYRZHGGSY-SFHVURJKSA-N 0 0 386.499 4.543 50 0 GJAARN Cc1ccc(Cn2nnc3cc(C(=O)N[C@@H]4CCCc5ccccc54)ccc32)cc1 ZINC000065030509 205207629 /nfs/dbraw/zinc/20/76/29/205207629.db2.gz NOWHXXRMLIGONO-JOCHJYFZSA-N 0 0 396.494 4.595 50 0 GJAARN CCOc1ccc(OCC)c(Nc2cc(C(=O)OC)nc3c(C)cccc23)c1 ZINC000065033677 205208356 /nfs/dbraw/zinc/20/83/56/205208356.db2.gz SEFIPNZJSCMYJM-UHFFFAOYSA-N 0 0 380.444 4.871 50 0 GJAARN CCOc1ccc(-c2cn3ccn(-c4ccc(C)c(Cl)c4)c(=O)c3n2)cc1 ZINC000065060383 205208660 /nfs/dbraw/zinc/20/86/60/205208660.db2.gz ZQDXBJOHDGUHSC-UHFFFAOYSA-N 0 0 379.847 4.513 50 0 GJAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000065058667 205208779 /nfs/dbraw/zinc/20/87/79/205208779.db2.gz IRYFNUWHAZOVJK-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)s1 ZINC000065085256 205209557 /nfs/dbraw/zinc/20/95/57/205209557.db2.gz NRCZDRIUAAJRST-UHFFFAOYSA-N 0 0 385.510 4.704 50 0 GJAARN Cc1cccc(Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c1 ZINC000065134413 205211410 /nfs/dbraw/zinc/21/14/10/205211410.db2.gz AJZOBMUMSQJQHN-UHFFFAOYSA-N 0 0 377.831 4.575 50 0 GJAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4ccccc4F)C3)n2)cc1 ZINC000065135484 205211720 /nfs/dbraw/zinc/21/17/20/205211720.db2.gz JBPLPQVMLYOYBW-SFHVURJKSA-N 0 0 375.447 4.611 50 0 GJAARN C[C@@H](NC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000065136349 205213021 /nfs/dbraw/zinc/21/30/21/205213021.db2.gz PHXIJIKCABKRNQ-QZTJIDSGSA-N 0 0 397.494 4.727 50 0 GJAARN CCc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)sc2C)cc1 ZINC000065138149 205213187 /nfs/dbraw/zinc/21/31/87/205213187.db2.gz HGGWTHUDYXWMGQ-UHFFFAOYSA-N 0 0 378.544 4.852 50 0 GJAARN Cn1nccc1-c1cccc(-c2noc(-c3ccccc3Br)n2)c1 ZINC000065137241 205213747 /nfs/dbraw/zinc/21/37/47/205213747.db2.gz MWEREWSKAMEXTJ-UHFFFAOYSA-N 0 0 381.233 4.567 50 0 GJAARN Cc1ccc(-c2ncc(C(=O)Nc3ccccc3F)c(-c3ccncc3)n2)cc1 ZINC000065153867 205214992 /nfs/dbraw/zinc/21/49/92/205214992.db2.gz UUZQGNGCEFCJPR-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN FC(F)(Cl)[C@](F)(Cl)[C@@](F)(Br)C(F)(F)Br ZINC000064370155 205188798 /nfs/dbraw/zinc/18/87/98/205188798.db2.gz FCMYQABQAFPAEV-LWMBPPNESA-N 0 0 392.746 4.771 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 ZINC000063883670 205189122 /nfs/dbraw/zinc/18/91/22/205189122.db2.gz FIYAYVLPLMJYOQ-GOSISDBHSA-N 0 0 376.504 4.657 50 0 GJAARN Cc1ccc2c(C(=O)N3CCC4(CCCC4)C3)cc(-c3cncnc3)nc2c1C ZINC000063883889 205189383 /nfs/dbraw/zinc/18/93/83/205189383.db2.gz XWIJFQHFIZLPMZ-UHFFFAOYSA-N 0 0 386.499 4.715 50 0 GJAARN Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)c(C)c1 ZINC000064471706 205190247 /nfs/dbraw/zinc/19/02/47/205190247.db2.gz JZBDULCKXXCGJR-UHFFFAOYSA-N 0 0 395.503 4.923 50 0 GJAARN CCOc1ccc(-c2cc3c(SCC(=O)c4ccccc4)nccn3n2)cc1 ZINC000064579479 205191467 /nfs/dbraw/zinc/19/14/67/205191467.db2.gz CXUWGQXXICPACQ-UHFFFAOYSA-N 0 0 389.480 4.770 50 0 GJAARN CC(C)CCNC(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606030 205191601 /nfs/dbraw/zinc/19/16/01/205191601.db2.gz IJEQEHMZDLGRJY-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN Cc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)c1 ZINC000064656973 205192265 /nfs/dbraw/zinc/19/22/65/205192265.db2.gz NJVUHOUNLHNPNF-KRWDZBQOSA-N 0 0 397.521 4.672 50 0 GJAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N(C)c3ccccc3)n2)cc1 ZINC000064579661 205192492 /nfs/dbraw/zinc/19/24/92/205192492.db2.gz GHYWUXXZLYZEPN-UHFFFAOYSA-N 0 0 399.450 4.754 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)n2)cc1 ZINC000064580024 205192886 /nfs/dbraw/zinc/19/28/86/205192886.db2.gz VOYIUHYMQKLRHS-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000064747579 205193480 /nfs/dbraw/zinc/19/34/80/205193480.db2.gz LCJJZXXMRZKUSD-MRXNPFEDSA-N 0 0 398.850 4.768 50 0 GJAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)cc1 ZINC000064747678 205194028 /nfs/dbraw/zinc/19/40/28/205194028.db2.gz WXEFDNIATYQYKV-GOSISDBHSA-N 0 0 398.413 4.946 50 0 GJAARN Cc1cccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c1 ZINC000064787987 205194673 /nfs/dbraw/zinc/19/46/73/205194673.db2.gz NBUWCPWQDWJIRO-UHFFFAOYSA-N 0 0 395.871 4.637 50 0 GJAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc2ccccc2nc1Cl ZINC000064811144 205195061 /nfs/dbraw/zinc/19/50/61/205195061.db2.gz WKRHDTTYSKOHOR-UHFFFAOYSA-N 0 0 376.847 4.629 50 0 GJAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4ccc(C)cc4C)CC3)n2)cc1 ZINC000064818232 205196138 /nfs/dbraw/zinc/19/61/38/205196138.db2.gz FIVJJZXXVUCPRP-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000064837641 205196986 /nfs/dbraw/zinc/19/69/86/205196986.db2.gz ZYEPEQYHQWMAGZ-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN O=C(Nc1cccc(Br)c1)c1ccc2c(c1)nnn2C1CCCC1 ZINC000064818551 205197055 /nfs/dbraw/zinc/19/70/55/205197055.db2.gz GQYQCZIRLIKKNV-UHFFFAOYSA-N 0 0 385.265 4.561 50 0 GJAARN CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)Nc1ccccc1Cl ZINC000064839939 205197218 /nfs/dbraw/zinc/19/72/18/205197218.db2.gz NOIHFZSSOGLWBA-UHFFFAOYSA-N 0 0 391.258 4.750 50 0 GJAARN Cc1cccc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 ZINC000064858447 205197665 /nfs/dbraw/zinc/19/76/65/205197665.db2.gz XBMDATDDUHZCHJ-UHFFFAOYSA-N 0 0 391.902 4.996 50 0 biogenic GJAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccccc2F)c1C ZINC000064845737 205197786 /nfs/dbraw/zinc/19/77/86/205197786.db2.gz YKBDFJABWSSHMJ-UHFFFAOYSA-N 0 0 380.466 4.577 50 0 GJAARN COc1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000064847691 205197960 /nfs/dbraw/zinc/19/79/60/205197960.db2.gz VSFDUPHTUZRVDV-QGZVFWFLSA-N 0 0 395.503 4.522 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)c(C)c1 ZINC000064847273 205198156 /nfs/dbraw/zinc/19/81/56/205198156.db2.gz NGQMMWLTSZVSAA-UHFFFAOYSA-N 0 0 393.531 4.562 50 0 GJAARN COCCCNc1c(-c2ccccc2C)nc2sc3cc(OC)ccc3n21 ZINC000065319325 205229296 /nfs/dbraw/zinc/22/92/96/205229296.db2.gz BRBQUIMFCNHJQT-UHFFFAOYSA-N 0 0 381.501 4.981 50 0 GJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@H]3c2ccc(OCC(C)C)cc2)cc1 ZINC000065331600 205230923 /nfs/dbraw/zinc/23/09/23/205230923.db2.gz LDOAOQLWEJRKHK-FQEVSTJZSA-N 0 0 375.472 4.690 50 0 GJAARN Cc1noc([C@H](C)n2cnc(-c3ccccc3)c2-c2cc3c(cc2C)OCO3)n1 ZINC000065373438 205232774 /nfs/dbraw/zinc/23/27/74/205232774.db2.gz OZGVAQWEBSBIFU-AWEZNQCLSA-N 0 0 388.427 4.555 50 0 GJAARN Cc1csc(Sc2ccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)cc2)n1 ZINC000065466408 205234939 /nfs/dbraw/zinc/23/49/39/205234939.db2.gz MNHSLJGEERHOHY-ZDUSSCGKSA-N 0 0 377.535 4.634 50 0 GJAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cc(F)cc(F)c1 ZINC000067296307 205245605 /nfs/dbraw/zinc/24/56/05/205245605.db2.gz PFRFEKPPQDNVQA-DAFNUICNSA-N 0 0 377.350 4.591 50 0 GJAARN COc1ccc(-c2nc(C)cc(SCC(=O)NCCC3=CCCCC3)n2)cc1 ZINC000067257555 205243217 /nfs/dbraw/zinc/24/32/17/205243217.db2.gz CADFWVMMBGFAQZ-UHFFFAOYSA-N 0 0 397.544 4.559 50 0 GJAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000067259104 205243462 /nfs/dbraw/zinc/24/34/62/205243462.db2.gz UVRCWPONPNUUMV-UHFFFAOYSA-N 0 0 382.529 4.812 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccc(F)cc1 ZINC000067259248 205243717 /nfs/dbraw/zinc/24/37/17/205243717.db2.gz OFSLIDFBTRMLFK-UHFFFAOYSA-N 0 0 376.456 4.876 50 0 GJAARN CCOc1ccccc1CNc1c(C(=O)N2CCCC2)cnc2ccc(F)cc21 ZINC000067288214 205243766 /nfs/dbraw/zinc/24/37/66/205243766.db2.gz KQANNTCDHGNEID-UHFFFAOYSA-N 0 0 393.462 4.621 50 0 GJAARN O=C(c1cccc2cccnc21)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000067789672 205260058 /nfs/dbraw/zinc/26/00/58/205260058.db2.gz KEVPUJAOYMRJTP-LJQANCHMSA-N 0 0 382.467 4.645 50 0 GJAARN Cc1nc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cs1 ZINC000067866876 205264741 /nfs/dbraw/zinc/26/47/41/205264741.db2.gz CEFCQLBYYPXEGE-UHFFFAOYSA-N 0 0 386.904 4.872 50 0 GJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2)C1 ZINC000067974285 205269619 /nfs/dbraw/zinc/26/96/19/205269619.db2.gz WWGYQBMZFNPGSB-SFHVURJKSA-N 0 0 384.907 4.869 50 0 GJAARN CC(C)c1ccc2cc(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4C3)[nH]c2c1 ZINC000067981881 205271011 /nfs/dbraw/zinc/27/10/11/205271011.db2.gz KRRZQXAXPWQKAB-UHFFFAOYSA-N 0 0 384.483 4.880 50 0 GJAARN Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@@H]1CCc2ccccc21 ZINC000071326517 205282031 /nfs/dbraw/zinc/28/20/31/205282031.db2.gz PUBWRDVBSRGNKW-LJQANCHMSA-N 0 0 377.513 4.523 50 0 GJAARN Cc1c2cc(Cl)cc(CNC(=O)C3CCOCC3)c2[nH]c1-c1ccccc1 ZINC000071763427 205295752 /nfs/dbraw/zinc/29/57/52/205295752.db2.gz FJBVVKOUIOQLHU-UHFFFAOYSA-N 0 0 382.891 4.840 50 0 GJAARN CCOC(=O)c1sc2ncnc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2c1C ZINC000071795513 205296972 /nfs/dbraw/zinc/29/69/72/205296972.db2.gz KWLWEDYYNDSHCL-WDEREUQCSA-N 0 0 387.427 4.709 50 0 GJAARN O=C(CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F ZINC000072092936 205303858 /nfs/dbraw/zinc/30/38/58/205303858.db2.gz AMOOTJWXORQICT-GOSISDBHSA-N 0 0 397.277 4.535 50 0 GJAARN O=C(Nc1ccnn1C[C@@H]1CCOC1)c1sc2cc(Cl)ccc2c1Cl ZINC000069922198 205275989 /nfs/dbraw/zinc/27/59/89/205275989.db2.gz WXPKVQKQDBPEPN-JTQLQIEISA-N 0 0 396.299 4.693 50 0 GJAARN COc1ccccc1/C(C)=C/C(=O)N(C)Cc1cc(Br)cs1 ZINC000069703806 205276260 /nfs/dbraw/zinc/27/62/60/205276260.db2.gz GRSNNPPIEWGMPI-XYOKQWHBSA-N 0 0 380.307 4.581 50 0 GJAARN CCN(CC)c1nc2sc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2s1 ZINC000069416064 205276537 /nfs/dbraw/zinc/27/65/37/205276537.db2.gz CIUAVRLVIVKUSP-UHFFFAOYSA-N 0 0 399.497 4.563 50 0 GJAARN COc1ccc(NC(=O)N2CCO[C@@H](c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000090613861 205276733 /nfs/dbraw/zinc/27/67/33/205276733.db2.gz JJLVKQRSGDGRIJ-QGZVFWFLSA-N 0 0 381.259 4.607 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2ccnc2)cc1 ZINC000069538000 205277280 /nfs/dbraw/zinc/27/72/80/205277280.db2.gz PXOUMQFSSIWRED-XMMPIXPASA-N 0 0 381.479 4.645 50 0 GJAARN O=C(NCCCc1ccccc1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613867 205277305 /nfs/dbraw/zinc/27/73/05/205277305.db2.gz PUIAMJRRSGMMBU-LJQANCHMSA-N 0 0 393.314 4.709 50 0 GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000071115871 205277991 /nfs/dbraw/zinc/27/79/91/205277991.db2.gz WGQUHSBYVWCFCM-OAHLLOKOSA-N 0 0 381.451 4.886 50 0 GJAARN O=C(CCn1ccc2ccc(Br)cc21)Nc1cccc2[nH]ccc21 ZINC000070666401 205278132 /nfs/dbraw/zinc/27/81/32/205278132.db2.gz CSLDOGFLQONZKO-UHFFFAOYSA-N 0 0 382.261 4.914 50 0 biogenic GJAARN CCCCc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1 ZINC000071283366 205279750 /nfs/dbraw/zinc/27/97/50/205279750.db2.gz SVEBIRMETJGDPB-UHFFFAOYSA-N 0 0 395.890 4.545 50 0 GJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(Cl)c2)cc1Cl ZINC000072329327 205326607 /nfs/dbraw/zinc/32/66/07/205326607.db2.gz AWKGVHUGNRWHFJ-UHFFFAOYSA-N 0 0 390.270 4.712 50 0 GJAARN OCc1ccccc1-c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cn1 ZINC000072138709 205309383 /nfs/dbraw/zinc/30/93/83/205309383.db2.gz BBBQEZGKXPOIFN-UHFFFAOYSA-N 0 0 377.831 4.535 50 0 GJAARN COc1cc(-c2nc(CN(C)Cc3cccc4ncccc34)c(C)o2)ccc1F ZINC000015077652 205357319 /nfs/dbraw/zinc/35/73/19/205357319.db2.gz XTBFGXSJVZUIQC-UHFFFAOYSA-N 0 0 391.446 4.978 50 0 GJAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)c2)n1 ZINC000077339647 205359266 /nfs/dbraw/zinc/35/92/66/205359266.db2.gz OXXKQOMFIVUBOA-JOCHJYFZSA-N 0 0 377.463 4.665 50 0 GJAARN Cc1c2cc(CNC(=O)[C@]3(C)CCCCO3)ccc2[nH]c1-c1ccccc1F ZINC000077524680 205365754 /nfs/dbraw/zinc/36/57/54/205365754.db2.gz QYUYIABIAJIXIJ-QHCPKHFHSA-N 0 0 380.463 4.858 50 0 GJAARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(F)c(Cl)c1)SCC(=O)N2 ZINC000079477037 205382299 /nfs/dbraw/zinc/38/22/99/205382299.db2.gz JZGNNVXDOKDVKE-QGZVFWFLSA-N 0 0 388.855 4.792 50 0 GJAARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(F)c(Cl)c1)SCC(=O)N2 ZINC000079477041 205382353 /nfs/dbraw/zinc/38/23/53/205382353.db2.gz JZGNNVXDOKDVKE-KRWDZBQOSA-N 0 0 388.855 4.792 50 0 GJAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)o2)n1 ZINC000079492311 205383857 /nfs/dbraw/zinc/38/38/57/205383857.db2.gz HFUFJSSSRIWMHW-UHFFFAOYSA-N 0 0 378.457 4.712 50 0 GJAARN CC(C)n1cc(CCC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 ZINC000079490172 205384003 /nfs/dbraw/zinc/38/40/03/205384003.db2.gz AQLXOKOHEUAENM-QHCPKHFHSA-N 0 0 376.500 4.755 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cn2)C12CCCC2 ZINC000079479904 205384602 /nfs/dbraw/zinc/38/46/02/205384602.db2.gz FUDVRPJCORBFFH-UTKZUKDTSA-N 0 0 391.515 4.679 50 0 GJAARN O=C(Nc1sc(C2CC2)nc1-c1ccccc1)N[C@H](CCO)c1cccs1 ZINC000095427219 205457185 /nfs/dbraw/zinc/45/71/85/205457185.db2.gz NRHCNPNDPUBSGR-OAHLLOKOSA-N 0 0 399.541 4.994 50 0 GJAARN Cc1nc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c(C)s1 ZINC000095973287 205511553 /nfs/dbraw/zinc/51/15/53/205511553.db2.gz ZGDTZZRIFONWAV-UHFFFAOYSA-N 0 0 395.513 4.536 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000095945972 205506398 /nfs/dbraw/zinc/50/63/98/205506398.db2.gz MRSSCPCWXXTGNX-YCRPNKLZSA-N 0 0 382.479 4.636 50 0 GJAARN CN(Cc1cc(Cl)nc(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095954912 205508747 /nfs/dbraw/zinc/50/87/47/205508747.db2.gz KTTXLQBMHDBRTG-BBRMVZONSA-N 0 0 392.113 4.785 50 0 GJAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H]3/C=C/c3ccccc3)c2)n1 ZINC000096002286 205515845 /nfs/dbraw/zinc/51/58/45/205515845.db2.gz UFGHLSDGAOFDGW-XXFRDUSWSA-N 0 0 385.511 4.866 50 0 GJAARN O=c1nc(C=Cc2cccc(Br)c2)[nH]c2sc3c(c21)CCCC3 ZINC000096791975 205570646 /nfs/dbraw/zinc/57/06/46/205570646.db2.gz MECPXTSNJJWDCI-HJWRWDBZSA-N 0 0 387.302 4.796 50 0 GJAARN COc1ccc(OC)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000098073359 205600735 /nfs/dbraw/zinc/60/07/35/205600735.db2.gz ZTFORQJYESGBJH-INIZCTEOSA-N 0 0 389.451 4.677 50 0 GJAARN CSc1cccc2sc(N3CCN(C(=O)Nc4ccccc4C)CC3)nc21 ZINC000049025962 205669564 /nfs/dbraw/zinc/66/95/64/205669564.db2.gz DQMIBWQBGBQUDY-UHFFFAOYSA-N 0 0 398.557 4.681 50 0 GJAARN COc1cc(NC(=O)COc2cc(Cl)ccc2Cl)c(OC)cc1Cl ZINC000000941168 205705238 /nfs/dbraw/zinc/70/52/38/205705238.db2.gz GWXZFRNYERTVKI-UHFFFAOYSA-N 0 0 390.650 4.682 50 0 GJAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cccc(Cl)c3C)nn21 ZINC000001013660 205706189 /nfs/dbraw/zinc/70/61/89/205706189.db2.gz ZSNRNOYXEPUJQY-UHFFFAOYSA-N 0 0 376.847 4.919 50 0 GJAARN COc1ccc(N(C)C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)cc1F ZINC000122533189 205687407 /nfs/dbraw/zinc/68/74/07/205687407.db2.gz UQPBNKDPZCBLFZ-UHFFFAOYSA-N 0 0 385.826 4.530 50 0 GJAARN Cc1sc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)cc1-c1ccc(F)cc1 ZINC000151316072 205722255 /nfs/dbraw/zinc/72/22/55/205722255.db2.gz HARSLKZURFXIML-UHFFFAOYSA-N 0 0 394.471 4.743 50 0 GJAARN Fc1ccc([C@@H]2c3nc[nH]c3CCN2C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000004033736 205730590 /nfs/dbraw/zinc/73/05/90/205730590.db2.gz DRLLZVBXNDOCNN-GOSISDBHSA-N 0 0 386.883 4.547 50 0 GJAARN Cc1ccc(CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)cc1 ZINC000004358810 205744671 /nfs/dbraw/zinc/74/46/71/205744671.db2.gz QQWVWVPNQWSNIT-UHFFFAOYSA-N 0 0 394.565 4.735 50 0 GJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)n1 ZINC000004518830 205749328 /nfs/dbraw/zinc/74/93/28/205749328.db2.gz VPLXSWZALNMTNN-UHFFFAOYSA-N 0 0 393.873 4.570 50 0 GJAARN CCc1ccc2c(CC(=O)Nc3nnc(Cc4ccccc4)s3)coc2c1 ZINC000007593792 205786883 /nfs/dbraw/zinc/78/68/83/205786883.db2.gz AEXHZSGBJYKUBZ-UHFFFAOYSA-N 0 0 377.469 4.619 50 0 GJAARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)CCc4ccccc4)CC3)nc21 ZINC000005182767 205763821 /nfs/dbraw/zinc/76/38/21/205763821.db2.gz HDSGYUYVQSCCQK-UHFFFAOYSA-N 0 0 399.947 4.540 50 0 GJAARN Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1N1CCCC1=O ZINC000005440705 205767664 /nfs/dbraw/zinc/76/76/64/205767664.db2.gz DBJANFXYJKHBBM-UHFFFAOYSA-N 0 0 384.479 4.970 50 0 GJAARN COc1ccc(/C=C\C(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000005959169 205774052 /nfs/dbraw/zinc/77/40/52/205774052.db2.gz KBOHZIKUVCGMJT-WTKPLQERSA-N 0 0 389.274 4.719 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1c(F)cccc1Cl ZINC000001113011 205807598 /nfs/dbraw/zinc/80/75/98/205807598.db2.gz TVZCGQXBYIGHGE-CMDGGOBGSA-N 0 0 381.856 4.986 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1 ZINC000008341755 205794370 /nfs/dbraw/zinc/79/43/70/205794370.db2.gz YPMFDWWJHCTMNG-QHCPKHFHSA-N 0 0 399.494 4.679 50 0 GJAARN Cc1noc2ncc(C(=O)N[C@@H](C)c3sc(-c4ccc(C)cc4)nc3C)cc12 ZINC000170623101 205857461 /nfs/dbraw/zinc/85/74/61/205857461.db2.gz SMFYKPSNLHFRFJ-ZDUSSCGKSA-N 0 0 392.484 4.763 50 0 GJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)nn2)n1 ZINC000013009910 205883951 /nfs/dbraw/zinc/88/39/51/205883951.db2.gz HTAJZVXPEWNRFM-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN CCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 ZINC000011466945 205865287 /nfs/dbraw/zinc/86/52/87/205865287.db2.gz AAONFZMRNICNLZ-UHFFFAOYSA-N 0 0 393.462 4.931 50 0 GJAARN Cc1cccn2cc(-c3ccccc3NC(=O)c3cc(=O)c4ccccc4o3)nc12 ZINC000206901579 205865692 /nfs/dbraw/zinc/86/56/92/205865692.db2.gz FDROGAOPKXHTGN-UHFFFAOYSA-N 0 0 395.418 4.668 50 0 GJAARN COc1ccc(Br)c(C(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000016724651 205907900 /nfs/dbraw/zinc/90/79/00/205907900.db2.gz MSWRJXROHVXNID-UHFFFAOYSA-N 0 0 390.155 4.609 50 0 GJAARN Cc1ccc(F)c(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)c1 ZINC000028239337 206039664 /nfs/dbraw/zinc/03/96/64/206039664.db2.gz GQJGYTUVTWNHHU-UHFFFAOYSA-N 0 0 394.233 4.926 50 0 GJAARN CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCc1ccc(F)cc1 ZINC000225545638 206056577 /nfs/dbraw/zinc/05/65/77/206056577.db2.gz OQWBSEAJGNXULB-UHFFFAOYSA-N 0 0 379.460 4.843 50 0 GJAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000029330595 206058993 /nfs/dbraw/zinc/05/89/93/206058993.db2.gz DHPLXULIXOTCLY-UHFFFAOYSA-N 0 0 383.542 4.704 50 0 GJAARN C[C@@](CC(=O)NC[C@@H]1CCCO1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032093651 206089460 /nfs/dbraw/zinc/08/94/60/206089460.db2.gz ZZCOGOSZHFZQDJ-LPHOPBHVSA-N 0 0 397.462 4.758 50 0 GJAARN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccnn1Cc1cccc(C)c1 ZINC000030527155 206079290 /nfs/dbraw/zinc/07/92/90/206079290.db2.gz YYGXBHZUDWVHKZ-UHFFFAOYSA-N 0 0 394.525 4.986 50 0 GJAARN COc1ccccc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000030809169 206081154 /nfs/dbraw/zinc/08/11/54/206081154.db2.gz MVVWZMVJIVESEY-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN Cc1ccc2cc(COC(=O)COc3ccccc3Cl)c(Cl)nc2c1 ZINC000032910175 206096713 /nfs/dbraw/zinc/09/67/13/206096713.db2.gz QEIJJRMQVJKDEG-UHFFFAOYSA-N 0 0 376.239 4.972 50 0 GJAARN CCCCCn1c2ccccc2nc1SCc1cc(=O)n2cc(C)ccc2n1 ZINC000032910717 206097251 /nfs/dbraw/zinc/09/72/51/206097251.db2.gz NXTBIASGBMUSHW-UHFFFAOYSA-N 0 0 392.528 4.835 50 0 GJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(F)c2)cc1 ZINC000033335900 206098806 /nfs/dbraw/zinc/09/88/06/206098806.db2.gz VSJALCPIYLVADA-UYRXBGFRSA-N 0 0 380.444 4.605 50 0 GJAARN CCCOC(=O)c1c(NC(=O)/C=C\c2ccc(OC)cc2)sc2c1CCCC2 ZINC000033746187 206098819 /nfs/dbraw/zinc/09/88/19/206098819.db2.gz IMUUFWPBITWFCJ-RAXLEYEMSA-N 0 0 399.512 4.854 50 0 GJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)nn2)n1 ZINC000013009924 211695819 /nfs/dbraw/zinc/69/58/19/211695819.db2.gz AAEBRKPKAFWIOU-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1c(F)cccc1Cl)C3 ZINC000061997658 206103942 /nfs/dbraw/zinc/10/39/42/206103942.db2.gz CXUCZPVIVBTHCN-UHFFFAOYSA-N 0 0 387.838 4.863 50 0 biogenic GJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)Cc3cccs3)cc12 ZINC000012983226 211694702 /nfs/dbraw/zinc/69/47/02/211694702.db2.gz KSPLZLUYQFUPHQ-UHFFFAOYSA-N 0 0 399.516 4.927 50 0 GJAARN CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)no1 ZINC000065402462 206105665 /nfs/dbraw/zinc/10/56/65/206105665.db2.gz DUZXKKASHJYDKY-UHFFFAOYSA-N 0 0 398.532 4.736 50 0 GJAARN CCOc1ccc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCC3)cc1 ZINC000064450024 206106463 /nfs/dbraw/zinc/10/64/63/206106463.db2.gz XFPGDPGTLDLBKD-UHFFFAOYSA-N 0 0 399.498 4.655 50 0 GJAARN COc1ccc(CN(C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F ZINC000032851018 206091982 /nfs/dbraw/zinc/09/19/82/206091982.db2.gz MXZBJCBOEBXBCH-JOCHJYFZSA-N 0 0 378.447 4.646 50 0 GJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000032796623 206093080 /nfs/dbraw/zinc/09/30/80/206093080.db2.gz NATNKUOFTKMGBC-QGZVFWFLSA-N 0 0 388.467 4.781 50 0 GJAARN Cc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)cc1F ZINC000032876687 206093864 /nfs/dbraw/zinc/09/38/64/206093864.db2.gz MAQMPYMWXWRTJY-UHFFFAOYSA-N 0 0 383.444 4.561 50 0 GJAARN CSc1nc(C)c(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)s1 ZINC000032891590 206094612 /nfs/dbraw/zinc/09/46/12/206094612.db2.gz DAKRBUGRTPKNJM-UHFFFAOYSA-N 0 0 378.853 4.609 50 0 GJAARN O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1Cl ZINC000032930331 206095761 /nfs/dbraw/zinc/09/57/61/206095761.db2.gz BUDLUIUEHPLXPF-UHFFFAOYSA-N 0 0 387.266 4.897 50 0 GJAARN COCc1ccc(CNc2cc3c(cc2NC(=O)OC(C)(C)C)OCO3)cc1 ZINC000241132871 206126802 /nfs/dbraw/zinc/12/68/02/206126802.db2.gz JMORBCSNAFXAAF-UHFFFAOYSA-N 0 0 386.448 4.521 50 0 GJAARN O=C(CCc1ccccc1F)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000096103573 206115938 /nfs/dbraw/zinc/11/59/38/206115938.db2.gz WLXWQYZNKAHMRU-UHFFFAOYSA-N 0 0 376.387 4.755 50 0 GJAARN O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc(Cl)ccc1Cl ZINC000096103746 206116341 /nfs/dbraw/zinc/11/63/41/206116341.db2.gz AGJRXPXTPFXHAX-UHFFFAOYSA-N 0 0 392.208 4.516 50 0 GJAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN1c1nc2ccccc2o1 ZINC000096122555 206119584 /nfs/dbraw/zinc/11/95/84/206119584.db2.gz BCYYEMPRJGQARQ-OAHLLOKOSA-N 0 0 393.340 4.593 50 0 GJAARN Cc1cc(=O)oc2c1ccc1c2[C@H](c2ccc(OCC(C)C)cc2)CC(=O)O1 ZINC000096221354 206120480 /nfs/dbraw/zinc/12/04/80/206120480.db2.gz IKLUNDMSUKIBID-SFHVURJKSA-N 0 0 378.424 4.577 50 0 biogenic GJAARN COc1ccc(/C=C2\N=C(c3ccc(C)cc3)N(Nc3ccccc3)C2=O)cc1 ZINC000097340803 206124006 /nfs/dbraw/zinc/12/40/06/206124006.db2.gz HXBNGPXREKCJPX-JWGURIENSA-N 0 0 383.451 4.661 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2OC)cc1 ZINC000239174177 206124085 /nfs/dbraw/zinc/12/40/85/206124085.db2.gz PKUHOXJENXEMMM-URXFXBBRSA-N 0 0 386.451 4.946 50 0 GJAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@H]21 ZINC000239121129 206124153 /nfs/dbraw/zinc/12/41/53/206124153.db2.gz JIUIERPXYBEDNJ-XARZLDAJSA-N 0 0 383.447 5.334 50 0 GJAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@H]21 ZINC000239121128 206124206 /nfs/dbraw/zinc/12/42/06/206124206.db2.gz JIUIERPXYBEDNJ-AVIJNYRZSA-N 0 0 383.447 5.334 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000238950425 206125373 /nfs/dbraw/zinc/12/53/73/206125373.db2.gz XZKLTWVSAPWFCI-UHFFFAOYSA-N 0 0 393.830 5.118 50 0 GJAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cn(C)nc4C)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000229893620 206109771 /nfs/dbraw/zinc/10/97/71/206109771.db2.gz MEPYNTVXLJQGPP-DQTMNYIRSA-N 0 0 392.543 4.648 50 0 GJAARN CCn1c2ccc(Br)cc2c2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000252493407 206140734 /nfs/dbraw/zinc/14/07/34/206140734.db2.gz NBNVZRJGTHEHFM-UHFFFAOYSA-N 0 0 379.298 4.717 50 0 GJAARN Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000012814992 211689454 /nfs/dbraw/zinc/68/94/54/211689454.db2.gz IVTFHDWJVMJBPE-XSXQVXRUSA-N 0 0 384.545 4.975 50 0 GJAARN COc1ccc([C@@H](C(C)C)N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000252537457 206143822 /nfs/dbraw/zinc/14/38/22/206143822.db2.gz LFNZFQWJEJADRW-HXUWFJFHSA-N 0 0 376.460 4.531 50 0 GJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000012770724 211688354 /nfs/dbraw/zinc/68/83/54/211688354.db2.gz UZXSHYMEBMVFFP-LLVKDONJSA-N 0 0 390.411 4.671 50 0 GJAARN COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612309 206149032 /nfs/dbraw/zinc/14/90/32/206149032.db2.gz HZUUHCXBSGFHDC-DNZRQFCJSA-N 0 0 376.537 4.750 50 0 GJAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442042 211682251 /nfs/dbraw/zinc/68/22/51/211682251.db2.gz XLRAPMPESUBCNG-UHFFFAOYSA-N 0 0 398.488 4.686 50 0 GJAARN Cc1nc(C(=O)Nc2ccc(C(C)C)cc2)nn1-c1ccc(OC(F)F)cc1 ZINC000261490541 206182903 /nfs/dbraw/zinc/18/29/03/206182903.db2.gz FZHMAJRAQLBKTO-UHFFFAOYSA-N 0 0 386.402 4.553 50 0 GJAARN O=C(Nc1cccc(-c2cnco2)c1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000299799589 206194402 /nfs/dbraw/zinc/19/44/02/206194402.db2.gz SMJGKTSYFKINKA-HXUWFJFHSA-N 0 0 376.460 4.756 50 0 GJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(F)c(F)c1F 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CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4O)cc3)c2O1 ZINC000007454137 211586905 /nfs/dbraw/zinc/58/69/05/211586905.db2.gz ADQLNERLCJWWGV-UHFFFAOYSA-N 0 0 389.451 4.937 50 0 GJAARN O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000007407307 211583741 /nfs/dbraw/zinc/58/37/41/211583741.db2.gz QKBYGPIMTLWGDF-UHFFFAOYSA-N 0 0 396.491 4.541 50 0 GJAARN CCOc1ccccc1OCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000006237617 211574945 /nfs/dbraw/zinc/57/49/45/211574945.db2.gz QAHADEFJQCHEPD-UHFFFAOYSA-N 0 0 382.485 4.843 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 ZINC000006323343 211576983 /nfs/dbraw/zinc/57/69/83/211576983.db2.gz KKAJQCROZNGXFJ-UHFFFAOYSA-N 0 0 384.457 4.514 50 0 GJAARN O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000004854448 211551998 /nfs/dbraw/zinc/55/19/98/211551998.db2.gz SRFRKKQLYQBEAW-LJQANCHMSA-N 0 0 389.352 4.682 50 0 GJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(F)c3)c(Cl)c12 ZINC000004941132 211554438 /nfs/dbraw/zinc/55/44/38/211554438.db2.gz 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Oc1cccc(Nc2nc3nonc3nc2Nc2cc(Cl)ccc2Cl)c1 ZINC000098086417 211379887 /nfs/dbraw/zinc/37/98/87/211379887.db2.gz OIDSIQJVTHQIJR-UHFFFAOYSA-N 0 0 389.202 4.512 50 0 GJAARN Cc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3o2)cc1 ZINC000098086910 211379330 /nfs/dbraw/zinc/37/93/30/211379330.db2.gz HMFYFTXYFUWUSD-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN COc1cccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2cccc(OC)c2)c1 ZINC000097165205 211360748 /nfs/dbraw/zinc/36/07/48/211360748.db2.gz VWGOCJNSXUPALH-FQEVSTJZSA-N 0 0 392.480 4.757 50 0 GJAARN Cc1n[nH]c(C)c1[C@@H](C)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 ZINC000097164395 211360217 /nfs/dbraw/zinc/36/02/17/211360217.db2.gz MVQCDWZYHLIAEB-CQSZACIVSA-N 0 0 398.470 4.626 50 0 GJAARN Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1 ZINC000098023188 211375618 /nfs/dbraw/zinc/37/56/18/211375618.db2.gz VUIRVWPJNKZOSS-UHFFFAOYSA-N 0 0 384.487 4.768 50 0 in-vitro GJAARN Cc1cn2c(/C=C\C(=O)N3CCCCC[C@@H]3c3cccn3C)c(C)nc2s1 ZINC000098004108 211375398 /nfs/dbraw/zinc/37/53/98/211375398.db2.gz AMBQSOUVSHVEKH-OEIFXAAASA-N 0 0 382.533 4.508 50 0 GJAARN CO[C@@H]1CCN(C(=O)Nc2ccccc2SCc2cccc(Cl)c2)C1 ZINC000097679919 211370258 /nfs/dbraw/zinc/37/02/58/211370258.db2.gz WHVWWDWLWLHYJW-MRXNPFEDSA-N 0 0 376.909 4.885 50 0 GJAARN CCC(=O)N(C)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000097010833 211355200 /nfs/dbraw/zinc/35/52/00/211355200.db2.gz UFAFIWSTHUWZOX-UHFFFAOYSA-N 0 0 397.475 4.883 50 0 GJAARN CN(C)C(=O)c1ccc(NC(=O)/C=C\c2ccc(-c3ccccc3F)s2)cc1 ZINC000096996482 211355036 /nfs/dbraw/zinc/35/50/36/211355036.db2.gz QVMXUXMXZUSHKE-OWBHPGMISA-N 0 0 394.471 4.908 50 0 GJAARN Cc1ccc(C=Cc2nc(SCC(=O)c3ccc4c(c3)CCCC4)n[nH]2)o1 ZINC000097015404 211354008 /nfs/dbraw/zinc/35/40/08/211354008.db2.gz KLHHPBPYRUMHRQ-KHPPLWFESA-N 0 0 379.485 4.730 50 0 GJAARN CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)/C=C\c2ccc(F)cc2)n1 ZINC000096926804 211353212 /nfs/dbraw/zinc/35/32/12/211353212.db2.gz QDISFPSXSNRFNO-WTKPLQERSA-N 0 0 399.422 4.699 50 0 GJAARN CCOc1ccc(CCNC(=O)CSC/C=C\c2ccccc2)cc1OCC ZINC000096715693 211345542 /nfs/dbraw/zinc/34/55/42/211345542.db2.gz WDLXOIGJSLTPLH-FLIBITNWSA-N 0 0 399.556 4.589 50 0 GJAARN CCn1c(-c2cc(NC(=O)c3cc(F)cc(F)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398595 211341367 /nfs/dbraw/zinc/34/13/67/211341367.db2.gz HDDORYLKKZCCEN-UHFFFAOYSA-N 0 0 396.397 4.590 50 0 GJAARN CCn1c(-c2cc(NC(=O)c3ccc(Cl)cc3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398563 211341009 /nfs/dbraw/zinc/34/10/09/211341009.db2.gz QYVGAGKXBARQDT-UHFFFAOYSA-N 0 0 394.862 4.966 50 0 GJAARN CCCNC(=O)c1cc2occc2c(Nc2ccc(Br)c(C)c2)n1 ZINC000096323731 211334969 /nfs/dbraw/zinc/33/49/69/211334969.db2.gz XSYAPKXNISVNQC-UHFFFAOYSA-N 0 0 388.265 4.782 50 0 GJAARN O=C(CC1CCCCC1)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000096320571 211333443 /nfs/dbraw/zinc/33/34/43/211333443.db2.gz ICSINTVETJDHBK-UHFFFAOYSA-N 0 0 389.543 4.908 50 0 GJAARN O=C(CCC(F)(F)F)Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1 ZINC000096318419 211333102 /nfs/dbraw/zinc/33/31/02/211333102.db2.gz QGZAGTWSZZEPOD-UHFFFAOYSA-N 0 0 377.341 4.959 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096277992 211329404 /nfs/dbraw/zinc/32/94/04/211329404.db2.gz KXYYJIOESYJGOY-IERDGZPVSA-N 0 0 393.487 4.581 50 0 GJAARN Cc1ccc(C(=O)N(CCc2nc(-c3ccccc3)no2)Cc2ccccc2)cc1 ZINC000096277726 211329425 /nfs/dbraw/zinc/32/94/25/211329425.db2.gz YASILTDMLSLFDA-UHFFFAOYSA-N 0 0 397.478 4.930 50 0 GJAARN O=C(CC1(n2cccc2)CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000096118572 211303019 /nfs/dbraw/zinc/30/30/19/211303019.db2.gz RILQRTBQZNNPJL-UHFFFAOYSA-N 0 0 390.531 4.820 50 0 GJAARN COc1ccccc1Oc1ccccc1NC(=O)N1CCOC2(CCCC2)C1 ZINC000096138501 211305830 /nfs/dbraw/zinc/30/58/30/211305830.db2.gz JLNWNXCAQZZSBM-UHFFFAOYSA-N 0 0 382.460 4.664 50 0 GJAARN CCn1ncc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1C(F)(F)F ZINC000095957903 211287299 /nfs/dbraw/zinc/28/72/99/211287299.db2.gz AILXXBDADVOUQY-UHFFFAOYSA-N 0 0 394.422 4.914 50 0 GJAARN CC(=O)c1ccc(C(=O)N(C)c2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 ZINC000095958541 211287140 /nfs/dbraw/zinc/28/71/40/211287140.db2.gz FYWZUZLLSNXKRL-IBGZPJMESA-N 0 0 390.508 4.895 50 0 GJAARN O=C([C@@H]1CSc2ccccc2O1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000095957716 211286823 /nfs/dbraw/zinc/28/68/23/211286823.db2.gz WTKIMGBPTUWFDP-KRWDZBQOSA-N 0 0 393.430 4.750 50 0 GJAARN CC(C)c1sc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1ccccc1 ZINC000095947216 211286121 /nfs/dbraw/zinc/28/61/21/211286121.db2.gz LETLZMDBXYUGNL-UHFFFAOYSA-N 0 0 393.512 4.888 50 0 GJAARN CCN(Cc1ccc(C)o1)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000095497100 211251527 /nfs/dbraw/zinc/25/15/27/211251527.db2.gz LGLIYNZBQXSDIZ-UHFFFAOYSA-N 0 0 383.492 4.658 50 0 GJAARN CCCSc1ccc(NC(=O)N2CCC(OCc3cccnc3)CC2)cc1 ZINC000095516421 211263083 /nfs/dbraw/zinc/26/30/83/211263083.db2.gz CBVVJBBIPWDNFY-UHFFFAOYSA-N 0 0 385.533 4.797 50 0 GJAARN C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000095482958 211249833 /nfs/dbraw/zinc/24/98/33/211249833.db2.gz ZSQMNTJOBANTQJ-HNNXBMFYSA-N 0 0 392.421 4.562 50 0 GJAARN CC(C)c1sc(Br)nc1C(=O)Nc1ccc(F)c(F)c1F ZINC000095480767 211249225 /nfs/dbraw/zinc/24/92/25/211249225.db2.gz JHGANFCDHWDUTO-UHFFFAOYSA-N 0 0 379.201 4.699 50 0 GJAARN Clc1cccc(-c2nc3c(c(N4CCC[C@H]4c4ncc[nH]4)n2)CCCC3)c1 ZINC000095467585 211245628 /nfs/dbraw/zinc/24/56/28/211245628.db2.gz PTBWAMTXTNJUPL-SFHVURJKSA-N 0 0 379.895 4.740 50 0 GJAARN CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3cc[nH]c(=S)n3)c2)n1 ZINC000091695782 211203450 /nfs/dbraw/zinc/20/34/50/211203450.db2.gz KPMRXIVBSPCLRZ-UHFFFAOYSA-N 0 0 376.407 4.953 50 0 GJAARN FC(F)(F)c1cc2[nH]cc(I)c2cc1Br ZINC000091294532 211189971 /nfs/dbraw/zinc/18/99/71/211189971.db2.gz IOLMLBNUXBFHMS-UHFFFAOYSA-N 0 0 389.940 4.554 50 0 GJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000089827798 211186187 /nfs/dbraw/zinc/18/61/87/211186187.db2.gz RFKXVCFYHXVFER-OAQYLSRUSA-N 0 0 396.899 4.880 50 0 GJAARN CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1)c1ccccc1 ZINC000089821032 211184359 /nfs/dbraw/zinc/18/43/59/211184359.db2.gz YRNRLXXDYGGZNN-SFHVURJKSA-N 0 0 393.487 4.793 50 0 GJAARN Brc1ccc(C2(NCc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000089783038 211183587 /nfs/dbraw/zinc/18/35/87/211183587.db2.gz VUSQMVBNKYWSDM-OAHLLOKOSA-N 0 0 379.323 4.536 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NC2CC2)nc1 ZINC000089794207 211183071 /nfs/dbraw/zinc/18/30/71/211183071.db2.gz GFOVNFOSAWZFFM-UHFFFAOYSA-N 0 0 389.299 4.946 50 0 GJAARN CCCc1nc([C@H](Nc2ncnc3c4ccccc4oc32)c2ccccc2)no1 ZINC000084759029 211176243 /nfs/dbraw/zinc/17/62/43/211176243.db2.gz LKNMTCFUWLHCLI-GOSISDBHSA-N 0 0 385.427 4.913 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)nc1C)CCC2 ZINC000089537046 211181791 /nfs/dbraw/zinc/18/17/91/211181791.db2.gz KSFJYUJUMZDOIV-UHFFFAOYSA-N 0 0 392.480 4.646 50 0 GJAARN Cc1c2cccc(F)c2[nH]c1C(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000082109746 211162177 /nfs/dbraw/zinc/16/21/77/211162177.db2.gz URCHSSINFUYMGH-GOSISDBHSA-N 0 0 376.435 4.777 50 0 GJAARN COc1ccccc1/C=C/c1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000080346259 211158004 /nfs/dbraw/zinc/15/80/04/211158004.db2.gz NCOADNBOEBGCHG-VOTSOKGWSA-N 0 0 392.528 4.833 50 0 GJAARN Cc1nnc(-c2cccc(NC(=O)c3cc(Cc4ccccc4)ccc3O)c2)o1 ZINC000078947191 211150242 /nfs/dbraw/zinc/15/02/42/211150242.db2.gz NHQIXZRBBBTBFX-UHFFFAOYSA-N 0 0 385.423 4.594 50 0 GJAARN Cc1ccc(-n2cc(CN3CCOC(C)(C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000072453799 211119681 /nfs/dbraw/zinc/11/96/81/211119681.db2.gz SVNPIWOPNXYPPQ-UHFFFAOYSA-N 0 0 379.479 4.598 50 0 GJAARN COc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c2cccnc12 ZINC000072428206 211117867 /nfs/dbraw/zinc/11/78/67/211117867.db2.gz XCRDHBGDYQADEN-UHFFFAOYSA-N 0 0 381.439 4.794 50 0 GJAARN COc1ccc(S(=O)(=O)N(C)[C@H](C)CC2CCCCC2)c2c1CCCC2 ZINC000072408063 211113963 /nfs/dbraw/zinc/11/39/63/211113963.db2.gz VLSJIHWOPYGVTD-MRXNPFEDSA-N 0 0 379.566 4.553 50 0 GJAARN O=C(Nc1ccc(Oc2cccc3[nH]ccc32)nc1)C1=Cc2ccccc2OC1 ZINC000072406291 211114044 /nfs/dbraw/zinc/11/40/44/211114044.db2.gz YIXLLRZTHUUKQW-UHFFFAOYSA-N 0 0 383.407 4.770 50 0 GJAARN O=C(Nc1ccc(Oc2cccc3[nH]ccc32)nc1)c1ccc(Br)o1 ZINC000072406487 211113783 /nfs/dbraw/zinc/11/37/83/211113783.db2.gz MLMUJORUTZYWIG-UHFFFAOYSA-N 0 0 398.216 4.963 50 0 GJAARN O=C(Nc1ccc(Oc2cccc3[nH]ccc32)nc1)c1cc(=O)c2ccccc2o1 ZINC000072400491 211111571 /nfs/dbraw/zinc/11/15/71/211111571.db2.gz ZMXVWYBLORBSJF-UHFFFAOYSA-N 0 0 397.390 4.714 50 0 GJAARN Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)nn1 ZINC000072115839 211070305 /nfs/dbraw/zinc/07/03/05/211070305.db2.gz VKDSHPCMHIJBCH-UHFFFAOYSA-N 0 0 399.248 4.984 50 0 GJAARN O=C(NCC(F)(F)F)c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000071793338 211062986 /nfs/dbraw/zinc/06/29/86/211062986.db2.gz APDGCHPFJPCUBP-QBFSEMIESA-N 0 0 386.373 4.997 50 0 GJAARN CC(C)N(C(=O)c1ccc(Oc2ccc(F)cc2Br)nc1)C1CC1 ZINC000071800092 211062310 /nfs/dbraw/zinc/06/23/10/211062310.db2.gz QWMAZRRPZDFVNH-UHFFFAOYSA-N 0 0 393.256 4.789 50 0 GJAARN O=C(c1cccc(O)c1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071708060 211051158 /nfs/dbraw/zinc/05/11/58/211051158.db2.gz 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211024333 /nfs/dbraw/zinc/02/43/33/211024333.db2.gz AEOSYYMHDNFWHI-UHFFFAOYSA-N 0 0 384.838 4.641 50 0 GJAARN C[C@@H](c1cccs1)N(C)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000067872366 211027849 /nfs/dbraw/zinc/02/78/49/211027849.db2.gz UJLSNNNLLDGUPE-AWEZNQCLSA-N 0 0 393.468 4.697 50 0 GJAARN CCc1ccc(-c2cn3c(C(=O)N(C)[C@H](C)c4ccccn4)csc3n2)cc1 ZINC000067850064 211025592 /nfs/dbraw/zinc/02/55/92/211025592.db2.gz TXQUBTSOBUDNAY-OAHLLOKOSA-N 0 0 390.512 4.853 50 0 GJAARN O=C(C[C@@H]1C=CCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067851916 211024897 /nfs/dbraw/zinc/02/48/97/211024897.db2.gz AWFCGXKVNMJXRJ-OAHLLOKOSA-N 0 0 383.875 4.790 50 0 GJAARN O=C(c1ccc(-c2cccc(CO)c2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067757354 211020939 /nfs/dbraw/zinc/02/09/39/211020939.db2.gz NDOGZLHLAXIINA-OAQYLSRUSA-N 0 0 386.495 4.651 50 0 GJAARN C[C@@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000067725571 211019134 /nfs/dbraw/zinc/01/91/34/211019134.db2.gz DMEBUHOGKJMNIR-ZDUSSCGKSA-N 0 0 396.903 4.944 50 0 GJAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2F)n1 ZINC000067296760 211007426 /nfs/dbraw/zinc/00/74/26/211007426.db2.gz RYLCOIPPONHOGG-ROMGYVFFSA-N 0 0 391.377 4.899 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c1 ZINC000067290151 211007173 /nfs/dbraw/zinc/00/71/73/211007173.db2.gz KVEBNMPWSIFGHS-UHFFFAOYSA-N 0 0 394.525 4.805 50 0 GJAARN Cc1cc(F)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 ZINC000067296135 211007184 /nfs/dbraw/zinc/00/71/84/211007184.db2.gz OOHKQXRRSPXLEN-NMWGTECJSA-N 0 0 379.416 4.822 50 0 GJAARN CCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067296010 211006747 /nfs/dbraw/zinc/00/67/47/211006747.db2.gz GSRULITZLDAXJP-ATJXCDBQSA-N 0 0 375.453 4.936 50 0 GJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3c[nH]c4ccccc43)nc2)C1 ZINC000067674941 211014522 /nfs/dbraw/zinc/01/45/22/211014522.db2.gz QFWNRODQQBFGCE-GOSISDBHSA-N 0 0 389.499 4.697 50 0 GJAARN CCc1ccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)cc1 ZINC000067257271 211005556 /nfs/dbraw/zinc/00/55/56/211005556.db2.gz VOYNAJGZIDHZCD-UHFFFAOYSA-N 0 0 381.476 4.884 50 0 GJAARN CC(=O)c1cccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c1 ZINC000067257413 211004822 /nfs/dbraw/zinc/00/48/22/211004822.db2.gz XKUHZIUYVMRZRE-UHFFFAOYSA-N 0 0 395.459 4.525 50 0 GJAARN Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000067259309 211005778 /nfs/dbraw/zinc/00/57/78/211005778.db2.gz ZRVKECBHHTXBTD-UHFFFAOYSA-N 0 0 391.496 4.536 50 0 GJAARN O=C(c1c(F)cccc1F)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135648 210967551 /nfs/dbraw/zinc/96/75/51/210967551.db2.gz YJPPRDHOFQZAKL-OAHLLOKOSA-N 0 0 397.400 4.581 50 0 GJAARN Cc1cc(-c2nc(-c3ccccc3)no2)c(C)n1CC(=O)Nc1cccc(C)c1 ZINC000065195009 210974334 /nfs/dbraw/zinc/97/43/34/210974334.db2.gz ZEPKOYHCGDJVGW-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN CSc1ccc(CNc2c(C(=O)OC(C)C)cnc3nc(C)ccc32)cc1 ZINC000065114343 210966818 /nfs/dbraw/zinc/96/68/18/210966818.db2.gz BBJZZXCQCLWXJY-UHFFFAOYSA-N 0 0 381.501 4.837 50 0 GJAARN Cc1ccc(Cn2nnc3cc(C(=O)N[C@H]4CCCc5ccccc54)ccc32)cc1 ZINC000065030510 210962107 /nfs/dbraw/zinc/96/21/07/210962107.db2.gz NOWHXXRMLIGONO-QFIPXVFZSA-N 0 0 396.494 4.595 50 0 GJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccc(C)c4)cc3)ccc21 ZINC000065026847 210961380 /nfs/dbraw/zinc/96/13/80/210961380.db2.gz LYSWBBGELLRXFP-UHFFFAOYSA-N 0 0 398.506 4.891 50 0 GJAARN CCc1nc(-c2ccc(-c3noc([C@H](C)NC(=O)c4ccco4)n3)cc2)cs1 ZINC000065032320 210961192 /nfs/dbraw/zinc/96/11/92/210961192.db2.gz OAYRRVORNATMFH-LBPRGKRZSA-N 0 0 394.456 4.507 50 0 GJAARN CCc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000064969088 210956778 /nfs/dbraw/zinc/95/67/78/210956778.db2.gz IEYJBHKEILHSEU-UHFFFAOYSA-N 0 0 399.494 4.774 50 0 GJAARN O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000064818191 210949922 /nfs/dbraw/zinc/94/99/22/210949922.db2.gz BGYYNZYKBMTYPT-UHFFFAOYSA-N 0 0 385.826 4.549 50 0 GJAARN Cc1ccccc1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064787986 210947752 /nfs/dbraw/zinc/94/77/52/210947752.db2.gz YRTYGGBFVGOWKK-UHFFFAOYSA-N 0 0 395.871 4.637 50 0 GJAARN O=C(NCc1ccccc1)c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1 ZINC000064578330 210941417 /nfs/dbraw/zinc/94/14/17/210941417.db2.gz KELQNXNARZUGSO-UHFFFAOYSA-N 0 0 381.435 4.866 50 0 GJAARN O=C(NCCCn1cnc2ccccc21)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000058724489 210922989 /nfs/dbraw/zinc/92/29/89/210922989.db2.gz IHPMPWODPNORQM-HSZRJFAPSA-N 0 0 398.510 4.710 50 0 GJAARN C[C@H](OC[C@H](O)CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 ZINC000058012310 210905804 /nfs/dbraw/zinc/90/58/04/210905804.db2.gz YOSMAHDWDUYHQQ-FZMZJTMJSA-N 0 0 396.921 4.682 50 0 GJAARN CC(C)CCc1nc(CS(=O)(=O)Cc2ccc(F)cc2Cl)cs1 ZINC000058155711 210907940 /nfs/dbraw/zinc/90/79/40/210907940.db2.gz OKXBTKALVNUKHF-UHFFFAOYSA-N 0 0 375.918 4.639 50 0 GJAARN C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)S(=O)(=O)c1ccc(F)cc1 ZINC000058137454 210907809 /nfs/dbraw/zinc/90/78/09/210907809.db2.gz PWOSODLDYNOCBW-CYBMUJFWSA-N 0 0 397.427 4.526 50 0 GJAARN CSc1ccccc1NC(=O)CCC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000055414221 210888206 /nfs/dbraw/zinc/88/82/06/210888206.db2.gz FGXICIJSRKZGDH-QFIPXVFZSA-N 0 0 394.496 4.626 50 0 GJAARN CC(C)c1ccc(-c2nc(CNc3cccc(S(C)(=O)=O)c3)cs2)cc1 ZINC000053599366 210875177 /nfs/dbraw/zinc/87/51/77/210875177.db2.gz SIIJRCBTXCDTKS-UHFFFAOYSA-N 0 0 386.542 4.949 50 0 GJAARN Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)n1Cc1ccco1 ZINC000053281580 210873399 /nfs/dbraw/zinc/87/33/99/210873399.db2.gz UYCDFYDCWHLVJD-UHFFFAOYSA-N 0 0 378.259 4.888 50 0 GJAARN Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1 ZINC000046086184 210834965 /nfs/dbraw/zinc/83/49/65/210834965.db2.gz NZESAQHLKAOXHO-UHFFFAOYSA-N 0 0 391.515 4.919 50 0 GJAARN O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 ZINC000040267783 210782947 /nfs/dbraw/zinc/78/29/47/210782947.db2.gz MHWGFJXBNMHQOP-UHFFFAOYSA-N 0 0 394.814 4.606 50 0 GJAARN CCOc1cccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c1 ZINC000040139751 210778416 /nfs/dbraw/zinc/77/84/16/210778416.db2.gz QFVFSIQCXGNHBY-UVTDQMKNSA-N 0 0 386.373 4.758 50 0 GJAARN COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccco1)Cc1cccc(C)c1 ZINC000040070266 210768159 /nfs/dbraw/zinc/76/81/59/210768159.db2.gz YLOUIZKTJHVQJC-UHFFFAOYSA-N 0 0 391.467 4.571 50 0 GJAARN CCc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000038548585 210755447 /nfs/dbraw/zinc/75/54/47/210755447.db2.gz DQSPNIVSHWOABT-UHFFFAOYSA-N 0 0 382.485 4.854 50 0 GJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000037547383 210743221 /nfs/dbraw/zinc/74/32/21/210743221.db2.gz GWPKKVPXYDXWLC-UHFFFAOYSA-N 0 0 395.478 4.913 50 0 GJAARN Cc1ccc(F)c(N[C@H]2CCCN(C(=O)c3cccc(Br)c3)C2)c1 ZINC000037578671 210742807 /nfs/dbraw/zinc/74/28/07/210742807.db2.gz NJRRROKDFBMLMV-INIZCTEOSA-N 0 0 391.284 4.613 50 0 GJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1 ZINC000036358350 210722485 /nfs/dbraw/zinc/72/24/85/210722485.db2.gz KBJIAIOROTUWDV-UHFFFAOYSA-N 0 0 390.222 4.778 50 0 GJAARN O=C(Nc1cccc(C(=O)NCc2cccs2)c1)c1nsc2ccccc21 ZINC000035447580 210685548 /nfs/dbraw/zinc/68/55/48/210685548.db2.gz YCNHSWZWPAHSFM-UHFFFAOYSA-N 0 0 393.493 4.540 50 0 GJAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccccc1 ZINC000035400594 210683326 /nfs/dbraw/zinc/68/33/26/210683326.db2.gz KHAPKXIYTMTYIV-UHFFFAOYSA-N 0 0 379.463 4.756 50 0 GJAARN Cc1cccc(COc2ccc(-c3nc(C(=O)NC4CC4)cs3)c(F)c2)c1 ZINC000034713274 210663613 /nfs/dbraw/zinc/66/36/13/210663613.db2.gz DIZJISNSCSDFDT-UHFFFAOYSA-N 0 0 382.460 4.729 50 0 GJAARN COc1ccc(OC)c(/C=C\C(=O)N(c2nc(C)cs2)c2ccccc2)c1 ZINC000033530612 210650066 /nfs/dbraw/zinc/65/00/66/210650066.db2.gz DETICZPBUBQZPW-XFXZXTDPSA-N 0 0 380.469 4.847 50 0 GJAARN Cc1ccc(CC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000033261454 210634393 /nfs/dbraw/zinc/63/43/93/210634393.db2.gz IADVFOAEPINJCQ-UHFFFAOYSA-N 0 0 383.495 4.848 50 0 GJAARN COc1ccc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1OC ZINC000033255417 210631798 /nfs/dbraw/zinc/63/17/98/210631798.db2.gz VCGIRZWYEBHCPR-UHFFFAOYSA-N 0 0 379.460 4.657 50 0 GJAARN O=C(NCCc1ccc(Cl)cc1)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073188 210623604 /nfs/dbraw/zinc/62/36/04/210623604.db2.gz FMTPSFMKQYBNCQ-UHFFFAOYSA-N 0 0 393.918 4.851 50 0 GJAARN CN(C(=O)COc1ccc(Oc2ccccn2)cc1)[C@H]1CCCc2ccccc21 ZINC000032907190 210601459 /nfs/dbraw/zinc/60/14/59/210601459.db2.gz RGAHWCJZGVXLDU-QFIPXVFZSA-N 0 0 388.467 4.789 50 0 GJAARN COC(=O)c1ccc([C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)o1 ZINC000031845431 210567362 /nfs/dbraw/zinc/56/73/62/210567362.db2.gz HRSLIHSARVMIBB-VIFPVBQESA-N 0 0 382.363 4.882 50 0 GJAARN CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccncc3)c2c1 ZINC000031818756 210566765 /nfs/dbraw/zinc/56/67/65/210566765.db2.gz VLSZSWCNMMPBDQ-UHFFFAOYSA-N 0 0 382.467 4.745 50 0 GJAARN COc1cccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 ZINC000040144085 210533692 /nfs/dbraw/zinc/53/36/92/210533692.db2.gz CMMNOXPBPASWIW-UHFFFAOYSA-N 0 0 393.668 4.522 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)CCCCc2ccc(Br)cc2)c1 ZINC000040128270 210531343 /nfs/dbraw/zinc/53/13/43/210531343.db2.gz DJIUSJDACFYEGG-UHFFFAOYSA-N 0 0 389.293 4.759 50 0 GJAARN C[C@@H]1CCc2[nH]c3ccc(CNC(=O)c4ccc(Br)cc4)cc3c2C1 ZINC000028580854 210530461 /nfs/dbraw/zinc/53/04/61/210530461.db2.gz JCPSRNVNQNJLMM-CYBMUJFWSA-N 0 0 397.316 4.985 50 0 GJAARN C[C@@]1(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1(Cl)Cl ZINC000026083567 210489761 /nfs/dbraw/zinc/48/97/61/210489761.db2.gz USNPKCVLSLIBLC-KRWDZBQOSA-N 0 0 398.311 4.636 50 0 GJAARN Cc1c(C)c([C@H](C)c2[nH]c(C(=O)OCc3ccccc3)c(C)c2C)[nH]c1C=O ZINC000025762934 210485707 /nfs/dbraw/zinc/48/57/07/210485707.db2.gz DEXBNZVJKOQGKH-KRWDZBQOSA-N 0 0 378.472 4.898 50 0 GJAARN COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC(F)F ZINC000024836322 210472082 /nfs/dbraw/zinc/47/20/82/210472082.db2.gz SONRVEWMODQISX-SECBINFHSA-N 0 0 388.773 4.528 50 0 GJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000023308176 210437871 /nfs/dbraw/zinc/43/78/71/210437871.db2.gz SXIIOTHVZZZNSK-RUZDIDTESA-N 0 0 384.523 4.851 50 0 GJAARN COc1ccccc1[C@@H](C)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000023113579 210434189 /nfs/dbraw/zinc/43/41/89/210434189.db2.gz NRYIMWVHQSQXIU-OAHLLOKOSA-N 0 0 382.435 4.642 50 0 GJAARN CCOc1ccc(C(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000021728489 210391675 /nfs/dbraw/zinc/39/16/75/210391675.db2.gz QWKFVVVJTKIYIH-UHFFFAOYSA-N 0 0 379.435 4.625 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)sc2ncnc(N3CCCC3)c12 ZINC000021717153 210391262 /nfs/dbraw/zinc/39/12/62/210391262.db2.gz CUDLWWMNBXIRSZ-UHFFFAOYSA-N 0 0 380.517 4.976 50 0 GJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccc(F)cc1Cl)CC(=O)N2 ZINC000021660910 210388697 /nfs/dbraw/zinc/38/86/97/210388697.db2.gz MAINONIXGFFGPK-ZDUSSCGKSA-N 0 0 396.809 4.589 50 0 GJAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)c(C)c2c1 ZINC000021659777 210387507 /nfs/dbraw/zinc/38/75/07/210387507.db2.gz MLNNWEUENWOETH-IBGZPJMESA-N 0 0 380.488 4.772 50 0 GJAARN Cc1ccc2c(c1)sc(C(=O)Nc1ccc3c(c1)NC(=O)[C@@H](C)O3)c2Cl ZINC000021805994 210395041 /nfs/dbraw/zinc/39/50/41/210395041.db2.gz GCXOUBFJZWUKFJ-SNVBAGLBSA-N 0 0 386.860 4.835 50 0 GJAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1 ZINC000021787474 210394073 /nfs/dbraw/zinc/39/40/73/210394073.db2.gz DWZHWHUQGHBKBO-HSZRJFAPSA-N 0 0 391.515 4.887 50 0 GJAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1C ZINC000021787421 210394147 /nfs/dbraw/zinc/39/41/47/210394147.db2.gz MHWPKOQYBYVZNO-JOCHJYFZSA-N 0 0 391.515 4.887 50 0 GJAARN Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000021791110 210393755 /nfs/dbraw/zinc/39/37/55/210393755.db2.gz VJDBPHQJABRXSK-SFHVURJKSA-N 0 0 396.441 4.830 50 0 GJAARN C[C@@H](NC(=O)CSc1ncnc2c1sc1cccc(F)c12)c1ccccc1 ZINC000021153330 210378817 /nfs/dbraw/zinc/37/88/17/210378817.db2.gz UQLYTAXJJKUFDG-GFCCVEGCSA-N 0 0 397.500 4.953 50 0 GJAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OC ZINC000021157611 210378049 /nfs/dbraw/zinc/37/80/49/210378049.db2.gz OQHQRQDIVOFLRM-HNNXBMFYSA-N 0 0 395.480 4.915 50 0 GJAARN COc1ccc(-c2ocnc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000021044831 210377377 /nfs/dbraw/zinc/37/73/77/210377377.db2.gz OGMSJLDTZCAMBU-UHFFFAOYSA-N 0 0 392.333 4.630 50 0 GJAARN Cc1cc(C)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c(C)c1 ZINC000021104409 210376618 /nfs/dbraw/zinc/37/66/18/210376618.db2.gz VOGUUVQVKASWGE-QFIPXVFZSA-N 0 0 375.447 4.913 50 0 GJAARN Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccn2)cc(C)c1Cl ZINC000021524351 210384416 /nfs/dbraw/zinc/38/44/16/210384416.db2.gz MVKQXYAOGDNALW-INIZCTEOSA-N 0 0 384.863 4.946 50 0 GJAARN Cc1ccc(-c2nc(COC(=O)c3cncn3-c3ccc(F)cc3)cs2)cc1 ZINC000021509786 210382923 /nfs/dbraw/zinc/38/29/23/210382923.db2.gz NVHAEZZJIHZLLI-UHFFFAOYSA-N 0 0 393.443 4.800 50 0 GJAARN CC(C)c1cc(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)on1 ZINC000021326160 210382258 /nfs/dbraw/zinc/38/22/58/210382258.db2.gz LDSSJOPBXARHDZ-UHFFFAOYSA-N 0 0 396.516 4.593 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000021177565 210379871 /nfs/dbraw/zinc/37/98/71/210379871.db2.gz IDAFVIJWBGAQOL-ZDUSSCGKSA-N 0 0 396.422 4.543 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000020979206 210371443 /nfs/dbraw/zinc/37/14/43/210371443.db2.gz HIUZPPPKSIJQMV-SFHVURJKSA-N 0 0 384.483 4.771 50 0 GJAARN O=C(CCCc1nc(-c2cccs2)no1)Nc1cccc(C(F)(F)F)c1 ZINC000020894286 210366906 /nfs/dbraw/zinc/36/69/06/210366906.db2.gz VFNIEGUPMBKRCI-UHFFFAOYSA-N 0 0 381.379 4.778 50 0 GJAARN O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033859 210375453 /nfs/dbraw/zinc/37/54/53/210375453.db2.gz OMRJDHROUNRKPH-UHFFFAOYSA-N 0 0 394.496 4.899 50 0 GJAARN COC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020676886 210355937 /nfs/dbraw/zinc/35/59/37/210355937.db2.gz QYCJWUVRIIPFAA-HAHDFKILSA-N 0 0 399.446 4.748 50 0 GJAARN CC[C@@](O)(c1ccc(Cl)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868657 210364493 /nfs/dbraw/zinc/36/44/93/210364493.db2.gz QLEDSCNDBAFOPV-NHCUHLMSSA-N 0 0 394.342 4.707 50 0 GJAARN Cc1cc(C)c2c(=O)cc(C(=O)N3CCC(Cc4ccccc4)CC3)oc2c1 ZINC000020867828 210364741 /nfs/dbraw/zinc/36/47/41/210364741.db2.gz KHCXEGFNYUESJA-UHFFFAOYSA-N 0 0 375.468 4.505 50 0 GJAARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000020733877 210358929 /nfs/dbraw/zinc/35/89/29/210358929.db2.gz IAMHTNIFRWBWSF-INIZCTEOSA-N 0 0 384.798 4.514 50 0 GJAARN CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020714838 210357675 /nfs/dbraw/zinc/35/76/75/210357675.db2.gz NCNQEQCMKMEYDP-JOCHJYFZSA-N 0 0 390.527 4.511 50 0 GJAARN Cc1cc(C)cc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)n2)c1 ZINC000020617000 210353893 /nfs/dbraw/zinc/35/38/93/210353893.db2.gz PONRPLUELRQACS-SFHVURJKSA-N 0 0 390.487 4.569 50 0 GJAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)cn1 ZINC000020605425 210351638 /nfs/dbraw/zinc/35/16/38/210351638.db2.gz NKUCISVKSMMWJR-UHFFFAOYSA-N 0 0 399.420 4.999 50 0 GJAARN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000020580596 210348764 /nfs/dbraw/zinc/34/87/64/210348764.db2.gz FOMFZASPQACVPG-UHFFFAOYSA-N 0 0 384.501 4.938 50 0 GJAARN Cc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020561797 210347759 /nfs/dbraw/zinc/34/77/59/210347759.db2.gz SURKHQVRPSSNQT-JOCHJYFZSA-N 0 0 388.442 4.860 50 0 GJAARN Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccc(Br)cc3C)c1CO2 ZINC000020509809 210344528 /nfs/dbraw/zinc/34/45/28/210344528.db2.gz NEQCYDDEYAUNRN-UHFFFAOYSA-N 0 0 399.244 4.866 50 0 GJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)cc2Cl)cc1 ZINC000020532707 210344239 /nfs/dbraw/zinc/34/42/39/210344239.db2.gz DINBJIUZHNIGMP-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN C=C1C(N[C@@H](C)CCc2ccccc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020465838 210338506 /nfs/dbraw/zinc/33/85/06/210338506.db2.gz GYQWMZJJEQIKHB-KRWDZBQOSA-N 0 0 396.556 4.894 50 0 GJAARN Cc1ccc(CCNC(=O)[C@@H](C)n2nc(-c3ccccc3)c3ccccc32)cc1 ZINC000020355678 210328995 /nfs/dbraw/zinc/32/89/95/210328995.db2.gz YJEPZOLIUYZSKT-LJQANCHMSA-N 0 0 383.495 4.932 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000020283759 210327517 /nfs/dbraw/zinc/32/75/17/210327517.db2.gz YNNFPMLIPVCIBZ-KBPBESRZSA-N 0 0 396.922 4.809 50 0 GJAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc(C(C)C)n[nH]2)n1 ZINC000020293656 210326847 /nfs/dbraw/zinc/32/68/47/210326847.db2.gz KVJPAZKHZZCXGP-XMMPIXPASA-N 0 0 385.515 4.866 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2)cc1 ZINC000020437510 210334631 /nfs/dbraw/zinc/33/46/31/210334631.db2.gz IQKNJWGBECDDFG-IBGZPJMESA-N 0 0 394.272 4.924 50 0 GJAARN Cc1c(C[NH2+]Cc2ccc(F)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000020415586 210333868 /nfs/dbraw/zinc/33/38/68/210333868.db2.gz VOHLYLUBIWXNDJ-UHFFFAOYSA-N 0 0 380.463 4.589 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1F)CO3 ZINC000020412236 210332342 /nfs/dbraw/zinc/33/23/42/210332342.db2.gz FDYXOOCABPHKID-UHFFFAOYSA-N 0 0 395.474 4.978 50 0 GJAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC[C@@H](C)C3)c2c1 ZINC000020380806 210331904 /nfs/dbraw/zinc/33/19/04/210331904.db2.gz AXZCIJAQRJLCOW-QGZVFWFLSA-N 0 0 380.513 4.612 50 0 GJAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCOCC2)c1C ZINC000020192384 210321296 /nfs/dbraw/zinc/32/12/96/210321296.db2.gz AUAJXLSDIXCUHX-HXUWFJFHSA-N 0 0 396.512 4.632 50 0 GJAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NCc1ccc(F)cc1 ZINC000020103854 210315868 /nfs/dbraw/zinc/31/58/68/210315868.db2.gz RXAVJEFMBGHSDR-UHFFFAOYSA-N 0 0 388.826 4.825 50 0 GJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000019841744 210303331 /nfs/dbraw/zinc/30/33/31/210303331.db2.gz BPSNNLFHMIYDND-UHFFFAOYSA-N 0 0 390.914 4.965 50 0 GJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019842057 210302967 /nfs/dbraw/zinc/30/29/67/210302967.db2.gz XIOVGIACXQEKEO-UHFFFAOYSA-N 0 0 395.506 4.793 50 0 GJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccccc4)CC3)ccc21 ZINC000019773934 210296067 /nfs/dbraw/zinc/29/60/67/210296067.db2.gz GTDNQAWPIPDBDM-UHFFFAOYSA-N 0 0 397.522 4.772 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000003263274 220616953 /nfs/dbraw/zinc/61/69/53/220616953.db2.gz JMUJXNORZMKCNY-UHFFFAOYSA-N 0 0 383.256 4.874 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000005050870 220821126 /nfs/dbraw/zinc/82/11/26/220821126.db2.gz UYAGGRSNPRQIQC-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1CCC1=CCCCC1 ZINC000007495104 220998922 /nfs/dbraw/zinc/99/89/22/220998922.db2.gz LUJTYDNAWCQKIY-UHFFFAOYSA-N 0 0 395.528 4.650 50 0 GJAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc(N2CCCC2=O)c1 ZINC000007491991 220999153 /nfs/dbraw/zinc/99/91/53/220999153.db2.gz BSVLWAVAKDWWTE-UHFFFAOYSA-N 0 0 386.451 4.568 50 0 GJAARN CN(C)c1ccc(N2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 ZINC000009421616 221079858 /nfs/dbraw/zinc/07/98/58/221079858.db2.gz SEWSIXZFPXYKIZ-UHFFFAOYSA-N 0 0 398.462 4.883 50 0 biogenic GJAARN COc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000010368695 221101260 /nfs/dbraw/zinc/10/12/60/221101260.db2.gz QUZDFEPXVYIQQV-UHFFFAOYSA-N 0 0 399.450 4.651 50 0 GJAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccncc4)ccc3o2)cc1 ZINC000009660103 221088343 /nfs/dbraw/zinc/08/83/43/221088343.db2.gz ZSGHDHJUSKAFFS-UHFFFAOYSA-N 0 0 386.407 4.506 50 0 GJAARN O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000009897867 221093695 /nfs/dbraw/zinc/09/36/95/221093695.db2.gz PBYRYXARCVUFOL-TVIPLOHISA-N 0 0 381.428 4.535 50 0 GJAARN COc1cc(CNC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC ZINC000009887913 221093765 /nfs/dbraw/zinc/09/37/65/221093765.db2.gz MERUNKMUPZPNII-UHFFFAOYSA-N 0 0 391.876 4.511 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000010030676 221096047 /nfs/dbraw/zinc/09/60/47/221096047.db2.gz GTHRJASIFOHWID-JOCHJYFZSA-N 0 0 392.499 4.872 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc(C)c1Cl ZINC000010155661 221098490 /nfs/dbraw/zinc/09/84/90/221098490.db2.gz IJOCXOGFSCTHNB-INIZCTEOSA-N 0 0 389.879 4.532 50 0 GJAARN COc1ccc(OC)c(-c2nc(CN3CCCC[C@@H]3c3ccccn3)c(C)o2)c1 ZINC000011668039 221120640 /nfs/dbraw/zinc/12/06/40/221120640.db2.gz DYVASEYIKAVCSK-OAQYLSRUSA-N 0 0 393.487 4.789 50 0 GJAARN CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)cc2)cc1 ZINC000012062626 221146262 /nfs/dbraw/zinc/14/62/62/221146262.db2.gz QKYPZGWEIZDAQR-UHFFFAOYSA-N 0 0 381.432 4.567 50 0 GJAARN Cc1ccc2nc(NC(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)sc2c1 ZINC000012168493 221162107 /nfs/dbraw/zinc/16/21/07/221162107.db2.gz NZMYZXNFJXHQGM-UHFFFAOYSA-N 0 0 391.452 4.537 50 0 GJAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(OCc2cscn2)c1 ZINC000012558015 221206942 /nfs/dbraw/zinc/20/69/42/221206942.db2.gz HNRBLVWHEBOTHY-UHFFFAOYSA-N 0 0 393.512 4.883 50 0 GJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000014582976 221311891 /nfs/dbraw/zinc/31/18/91/221311891.db2.gz PQXVOPWGSWJOTD-UHFFFAOYSA-N 0 0 380.366 4.705 50 0 GJAARN COCc1ccccc1C(=O)Nc1ccccc1N1CCc2sccc2C1 ZINC000040134136 132399142 /nfs/dbraw/zinc/39/91/42/132399142.db2.gz ZVIWSYBYFYFXRB-UHFFFAOYSA-N 0 0 378.497 4.710 50 0 GJAARN O=C(NCCCN1c2ccccc2Sc2ccccc21)NCc1cccnc1 ZINC000060895087 136155929 /nfs/dbraw/zinc/15/59/29/136155929.db2.gz XHKKMNXMSHYCGU-UHFFFAOYSA-N 0 0 390.512 4.574 50 0 GJAARN Cc1ccc2c(c1)OC[C@H](CC(=O)NC1CCCCC1)N2Cc1ccccc1 ZINC000064663638 136157343 /nfs/dbraw/zinc/15/73/43/136157343.db2.gz CCVFPVSKYZLWTC-NRFANRHFSA-N 0 0 378.516 4.602 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccn2)s1 ZINC000064676042 136157416 /nfs/dbraw/zinc/15/74/16/136157416.db2.gz XTWSDGIZRARTJI-UHFFFAOYSA-N 0 0 391.540 4.698 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)c1 ZINC000065023629 136158613 /nfs/dbraw/zinc/15/86/13/136158613.db2.gz VTLGEZWOQUESSG-HXUWFJFHSA-N 0 0 386.499 4.616 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000065023913 136158779 /nfs/dbraw/zinc/15/87/79/136158779.db2.gz ODGGBPFJXGHSPT-UHFFFAOYSA-N 0 0 392.890 4.652 50 0 GJAARN Cc1cc(C)cc(NC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)c1 ZINC000065023883 136158789 /nfs/dbraw/zinc/15/87/89/136158789.db2.gz UZDLXVNRGCCMNI-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1cccc(NC(=O)c2nc3c4ccccc4oc3c(N3CCCCC3)n2)c1 ZINC000065025027 136158901 /nfs/dbraw/zinc/15/89/01/136158901.db2.gz 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570233212 /nfs/dbraw/zinc/23/32/12/570233212.db2.gz XOXORYWDPAORNU-CYBMUJFWSA-N 0 0 388.558 4.536 50 0 GJAARN Brc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 ZINC000019948379 570233417 /nfs/dbraw/zinc/23/34/17/570233417.db2.gz WLDPXOITCHSJMH-UHFFFAOYSA-N 0 0 391.228 4.991 50 0 GJAARN Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000000991999 570233624 /nfs/dbraw/zinc/23/36/24/570233624.db2.gz HJRUTABRGLXOPY-KRWDZBQOSA-N 0 0 387.435 4.676 50 0 GJAARN CCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816605 570233636 /nfs/dbraw/zinc/23/36/36/570233636.db2.gz VMMMUFRJDBQJJE-MSOLQXFVSA-N 0 0 384.842 4.548 50 0 GJAARN O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000005176825 570233936 /nfs/dbraw/zinc/23/39/36/570233936.db2.gz FMDJZFDKQSRVDC-RLPDPWMMSA-N 0 0 387.414 4.507 50 0 GJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000000995626 570234318 /nfs/dbraw/zinc/23/43/18/570234318.db2.gz SWLSHNFDEWBASP-LBPRGKRZSA-N 0 0 390.936 4.904 50 0 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Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 ZINC000001063391 570239878 /nfs/dbraw/zinc/23/98/78/570239878.db2.gz XMRMBLLRVOEHCU-HZPDHXFCSA-N 0 0 390.821 4.988 50 0 GJAARN Cc1cc(OCC(=O)Nc2nc3ccccc3s2)c(C)cc1Br ZINC000001064556 570239897 /nfs/dbraw/zinc/23/98/97/570239897.db2.gz CXKGQYPQJVPSDT-UHFFFAOYSA-N 0 0 391.290 4.693 50 0 GJAARN Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3ccccc3Cl)c21 ZINC000006275825 570240111 /nfs/dbraw/zinc/24/01/11/570240111.db2.gz XFNILXULBVBDQA-UHFFFAOYSA-N 0 0 395.818 4.547 50 0 GJAARN COc1cccc([C@H](CC(=O)Nc2ccc(C)c(F)c2)n2cccc2)c1OC ZINC000015771129 570240303 /nfs/dbraw/zinc/24/03/03/570240303.db2.gz MVVCGTIJWRDCKX-IBGZPJMESA-N 0 0 382.435 4.571 50 0 GJAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1 ZINC000001073985 570240726 /nfs/dbraw/zinc/24/07/26/570240726.db2.gz YWBZAPVFFGVXPV-UHFFFAOYSA-N 0 0 391.452 4.628 50 0 GJAARN C[C@H](Oc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cn1)c1ccccc1 ZINC000048353980 570240952 /nfs/dbraw/zinc/24/09/52/570240952.db2.gz 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CCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000001123411 570243886 /nfs/dbraw/zinc/24/38/86/570243886.db2.gz CAGSRXDAWIPFRA-IBGZPJMESA-N 0 0 376.378 4.607 50 0 GJAARN O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1 ZINC000001130937 570245533 /nfs/dbraw/zinc/24/55/33/570245533.db2.gz NDCGZFPKMSQIKA-HXUWFJFHSA-N 0 0 381.479 4.800 50 0 GJAARN O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000001135130 570246939 /nfs/dbraw/zinc/24/69/39/570246939.db2.gz DJUXQFHWHDCXHA-UHFFFAOYSA-N 0 0 376.762 4.625 50 0 GJAARN CC1(C)Cc2nc3sc(C(=O)Nc4ccccc4Cl)c(N)c3cc2C(=O)C1 ZINC000001142418 570247839 /nfs/dbraw/zinc/24/78/39/570247839.db2.gz ONCHDLBVYDFSES-UHFFFAOYSA-N 0 0 399.903 4.939 50 0 GJAARN Cc1cc(C)c(NC(=O)CSc2ncnc3sc4c(c32)CCC4)c(C)c1 ZINC000006112886 570247964 /nfs/dbraw/zinc/24/79/64/570247964.db2.gz BLSOKMXZEMNEQC-UHFFFAOYSA-N 0 0 383.542 4.836 50 0 GJAARN CCc1cc2c(ncnc2SCC(=O)c2ccc(Br)cc2)s1 ZINC000001143108 570248146 /nfs/dbraw/zinc/24/81/46/570248146.db2.gz 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570253710 /nfs/dbraw/zinc/25/37/10/570253710.db2.gz ZSFWBAJYBIVECN-UHFFFAOYSA-N 0 0 382.441 4.673 50 0 GJAARN Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000020418883 570255083 /nfs/dbraw/zinc/25/50/83/570255083.db2.gz ZCTVVRVEDBGCSZ-UHFFFAOYSA-N 0 0 397.525 4.605 50 0 GJAARN CC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000001180534 570255164 /nfs/dbraw/zinc/25/51/64/570255164.db2.gz AIAPHIWEQATDOU-SOFGYWHQSA-N 0 0 393.295 4.722 50 0 GJAARN Cc1cc(I)ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000001185721 570256456 /nfs/dbraw/zinc/25/64/56/570256456.db2.gz WGWRSXGTWGSYLC-UHFFFAOYSA-N 0 0 379.241 4.975 50 0 GJAARN Cc1cccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)c1 ZINC000001186779 570256550 /nfs/dbraw/zinc/25/65/50/570256550.db2.gz XUROQFVOEVMVNW-UHFFFAOYSA-N 0 0 386.407 4.827 50 0 GJAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000001192337 570257000 /nfs/dbraw/zinc/25/70/00/570257000.db2.gz ZOTZAFUATLXISH-MOSHPQCFSA-N 0 0 391.373 4.888 50 0 GJAARN COc1cccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000001210418 570258223 /nfs/dbraw/zinc/25/82/23/570258223.db2.gz POTSFORCSXBEJH-UHFFFAOYSA-N 0 0 376.437 4.930 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001216512 570258961 /nfs/dbraw/zinc/25/89/61/570258961.db2.gz LCNZVGRSPMFIKL-UHFFFAOYSA-N 0 0 386.245 4.872 50 0 GJAARN COc1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000049004737 570262032 /nfs/dbraw/zinc/26/20/32/570262032.db2.gz CBTRTKPOYWGTSF-UHFFFAOYSA-N 0 0 390.487 4.707 50 0 GJAARN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1 ZINC000001413910 570262430 /nfs/dbraw/zinc/26/24/30/570262430.db2.gz HHTUFSJVOSXPAH-UHFFFAOYSA-N 0 0 391.427 4.761 50 0 GJAARN O=C(Cc1cc(-c2ccco2)on1)NCCC(c1ccccc1)c1ccccc1 ZINC000049342686 570262758 /nfs/dbraw/zinc/26/27/58/570262758.db2.gz ZQBIJWMDVZCGAJ-UHFFFAOYSA-N 0 0 386.451 4.816 50 0 GJAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(F)c(F)c3)s2)c(OC)c1 ZINC000023321140 570262893 /nfs/dbraw/zinc/26/28/93/570262893.db2.gz 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ZINC000015825801 570267422 /nfs/dbraw/zinc/26/74/22/570267422.db2.gz WFWSLGKGGWZERU-UHFFFAOYSA-N 0 0 384.480 4.772 50 0 GJAARN CCOc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cccc(OCC)c1O2 ZINC000015830920 570269847 /nfs/dbraw/zinc/26/98/47/570269847.db2.gz XZYTXWYPDHDRFN-UHFFFAOYSA-N 0 0 380.469 4.926 50 0 GJAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000020611194 570272196 /nfs/dbraw/zinc/27/21/96/570272196.db2.gz XEQGZFHUNXOVCI-UHFFFAOYSA-N 0 0 386.455 4.552 50 0 GJAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(-c4ccno4)cc3)sc21 ZINC000020616950 570272848 /nfs/dbraw/zinc/27/28/48/570272848.db2.gz RDIPGRDMAIGNGE-UHFFFAOYSA-N 0 0 392.362 4.561 50 0 GJAARN FC(F)(F)c1cccc(N2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000055069445 570274342 /nfs/dbraw/zinc/27/43/42/570274342.db2.gz MWKIJVNPSWEFCJ-UHFFFAOYSA-N 0 0 399.254 4.790 50 0 GJAARN O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(-c2ccco2)o1 ZINC000012874156 570274428 /nfs/dbraw/zinc/27/44/28/570274428.db2.gz KDNSAFZXXMOEQO-UHFFFAOYSA-N 0 0 387.420 4.989 50 0 GJAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(C)c1)Nc1ccccc1-2 ZINC000002093095 570274564 /nfs/dbraw/zinc/27/45/64/570274564.db2.gz URLLMKCYMKUJRC-LJQANCHMSA-N 0 0 394.500 4.861 50 0 GJAARN O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1ccccc1OC(F)F ZINC000012878069 570274993 /nfs/dbraw/zinc/27/49/93/570274993.db2.gz PWNQIPABHLZLRF-UHFFFAOYSA-N 0 0 396.315 4.579 50 0 GJAARN O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1cccc(Br)c1 ZINC000006043671 570275952 /nfs/dbraw/zinc/27/59/52/570275952.db2.gz MQCYDXUNSVOOHT-IUXPMGMMSA-N 0 0 386.289 4.962 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3OC)s2)cc1 ZINC000002148756 570276080 /nfs/dbraw/zinc/27/60/80/570276080.db2.gz DMDSDBMHGDXBJI-UHFFFAOYSA-N 0 0 383.473 4.645 50 0 GJAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccc(F)cc4)c(C)c3cc12 ZINC000002151717 570276480 /nfs/dbraw/zinc/27/64/80/570276480.db2.gz JDOLJPIZIFQAFD-UHFFFAOYSA-N 0 0 393.414 4.544 50 0 biogenic GJAARN O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020731956 570277492 /nfs/dbraw/zinc/27/74/92/570277492.db2.gz DSIRTLPUSOKJOP-QFIPXVFZSA-N 0 0 394.559 4.930 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)NCc3cccc(C)c3)cc2s1 ZINC000015861837 570278260 /nfs/dbraw/zinc/27/82/60/570278260.db2.gz QDKLMGPXNBZXON-UHFFFAOYSA-N 0 0 395.528 4.592 50 0 GJAARN O=C(Nc1cccc(Br)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000002187804 570278259 /nfs/dbraw/zinc/27/82/59/570278259.db2.gz LCBFADDLEIBTDB-HNNXBMFYSA-N 0 0 385.088 4.903 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(OC)cc3)cc2s1 ZINC000015861816 570278296 /nfs/dbraw/zinc/27/82/96/570278296.db2.gz MMLXGPYMDYQCKD-UHFFFAOYSA-N 0 0 397.500 4.615 50 0 GJAARN O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1ccccc1 ZINC000020738644 570278379 /nfs/dbraw/zinc/27/83/79/570278379.db2.gz YNYFGHMUAZKQQH-UHFFFAOYSA-N 0 0 382.467 4.699 50 0 GJAARN CC1(C)CC(=O)c2cn3nc(SCc4cccc5ccccc54)nc3nc2C1 ZINC000002198272 570278724 /nfs/dbraw/zinc/27/87/24/570278724.db2.gz ZVBPJYHXQBMCKM-UHFFFAOYSA-N 0 0 388.496 4.725 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1CC ZINC000002226260 570279752 /nfs/dbraw/zinc/27/97/52/570279752.db2.gz UEQCNYKWABNNDO-UHFFFAOYSA-N 0 0 398.507 4.706 50 0 GJAARN CC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 ZINC000002232599 570279863 /nfs/dbraw/zinc/27/98/63/570279863.db2.gz YBOOCHSXKCTJNR-UHFFFAOYSA-N 0 0 376.890 4.883 50 0 GJAARN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1OCc1ccccc1 ZINC000000647198 570280237 /nfs/dbraw/zinc/28/02/37/570280237.db2.gz LSBADOWRZSRYNO-KGENOOAVSA-N 0 0 399.446 4.927 50 0 GJAARN COc1ccc2sc(C(=O)Nc3ccc(OC)cc3OC)c(Cl)c2c1 ZINC000023323301 570282234 /nfs/dbraw/zinc/28/22/34/570282234.db2.gz NKSKHTXYBACHRH-UHFFFAOYSA-N 0 0 377.849 4.833 50 0 GJAARN COc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(OC)c1OC ZINC000002310258 570282285 /nfs/dbraw/zinc/28/22/85/570282285.db2.gz KFXDZFRQLCWQFP-UHFFFAOYSA-N 0 0 391.467 4.555 50 0 GJAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)N(C(C)C)C(C)C)o1 ZINC000015881589 570282758 /nfs/dbraw/zinc/28/27/58/570282758.db2.gz CFEDFTKWKCLKOX-UHFFFAOYSA-N 0 0 382.508 4.535 50 0 GJAARN Cc1cccc(-c2nc3c(cc(Br)c(N)c3Br)o2)c1 ZINC000002336068 570283209 /nfs/dbraw/zinc/28/32/09/570283209.db2.gz DVHQIFAMIVBZEJ-UHFFFAOYSA-N 0 0 382.055 4.910 50 0 GJAARN CCOC(=O)CSc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002340068 570283219 /nfs/dbraw/zinc/28/32/19/570283219.db2.gz AWDOGDZQJJJEPL-UHFFFAOYSA-N 0 0 384.526 4.892 50 0 GJAARN COc1cccc(NC(=O)Nc2nnc(SCc3ccccc3F)s2)c1 ZINC000002337183 570283287 /nfs/dbraw/zinc/28/32/87/570283287.db2.gz DXWLFSZHUJUCOV-UHFFFAOYSA-N 0 0 390.465 4.622 50 0 GJAARN Cc1nn2c(ncc3c2C[C@H](c2ccco2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000002338434 570283358 /nfs/dbraw/zinc/28/33/58/570283358.db2.gz ZSIJRWQPTAZBHQ-AWEZNQCLSA-N 0 0 377.831 4.864 50 0 GJAARN Cc1cc(C)cc(NC(=O)Nc2nnc(N(CC(C)C)CC(C)C)s2)c1 ZINC000006768109 570283647 /nfs/dbraw/zinc/28/36/47/570283647.db2.gz PFSJDNVWXVAIJJ-UHFFFAOYSA-N 0 0 375.542 4.917 50 0 GJAARN COc1ccc(C2NC(c3ccc(Br)cc3)=NC2=S)cc1OC ZINC000101478556 570283874 /nfs/dbraw/zinc/28/38/74/570283874.db2.gz NBPUESCVDAYQTC-UHFFFAOYSA-N 0 0 391.290 4.812 50 0 GJAARN Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1C(F)(F)F ZINC000012892871 570286627 /nfs/dbraw/zinc/28/66/27/570286627.db2.gz GBOHIQAPCGUDBH-GOSISDBHSA-N 0 0 392.402 4.581 50 0 GJAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4cccc(OC)c4)sc3n2)cc1 ZINC000000661601 570287220 /nfs/dbraw/zinc/28/72/20/570287220.db2.gz IBIGIRDXZXAEOR-UHFFFAOYSA-N 0 0 390.464 4.794 50 0 GJAARN Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000020856609 570287897 /nfs/dbraw/zinc/28/78/97/570287897.db2.gz CTKCCICIAHUQGF-AWEZNQCLSA-N 0 0 390.483 4.705 50 0 GJAARN COc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)ccc1OC(C)C ZINC000000673058 570288894 /nfs/dbraw/zinc/28/88/94/570288894.db2.gz SOZDHCYIJZKTBD-MOSHPQCFSA-N 0 0 387.435 4.980 50 0 GJAARN Cc1cc(Br)ccc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O ZINC000102628315 570290866 /nfs/dbraw/zinc/29/08/66/570290866.db2.gz FIRSCXKURKFPSN-CGTJXYLNSA-N 0 0 398.300 4.831 50 0 GJAARN COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1Cl ZINC000000691543 570291973 /nfs/dbraw/zinc/29/19/73/570291973.db2.gz GNOGOHMPHOTWSE-UHFFFAOYSA-N 0 0 387.892 4.672 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCc2sccc2C1 ZINC000010764036 570292413 /nfs/dbraw/zinc/29/24/13/570292413.db2.gz WTRSMOKEMRXUFG-KRWDZBQOSA-N 0 0 392.524 4.712 50 0 GJAARN Cc1ccc2cc(C(=O)N(CCc3ccccc3)Cc3ccccn3)n(C)c2c1 ZINC000215902551 570293114 /nfs/dbraw/zinc/29/31/14/570293114.db2.gz JFMCMZASRXVZFT-UHFFFAOYSA-N 0 0 383.495 4.767 50 0 GJAARN Cc1c2ccccc2sc1C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000021637141 570293553 /nfs/dbraw/zinc/29/35/53/570293553.db2.gz JKNIGGJTYWAXHV-HNNXBMFYSA-N 0 0 376.485 4.624 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)NC(C)C ZINC000034672459 570293748 /nfs/dbraw/zinc/29/37/48/570293748.db2.gz VWLGXEAUBQBJLV-UHFFFAOYSA-N 0 0 377.488 4.739 50 0 GJAARN COC(=O)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000023327256 570294714 /nfs/dbraw/zinc/29/47/14/570294714.db2.gz YUZFPRUSYOUIRE-QHCPKHFHSA-N 0 0 385.463 4.570 50 0 GJAARN COc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)cc1Br ZINC000021719863 570294793 /nfs/dbraw/zinc/29/47/93/570294793.db2.gz FTIHQGYWAQNJQG-INIZCTEOSA-N 0 0 379.298 4.906 50 0 GJAARN COc1ccc(OC)c(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)on2)c1 ZINC000021720035 570294927 /nfs/dbraw/zinc/29/49/27/570294927.db2.gz ALZXTIOFUVRNQL-LJQANCHMSA-N 0 0 396.491 4.542 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)cc1 ZINC000021800511 570296312 /nfs/dbraw/zinc/29/63/12/570296312.db2.gz OMXZOGXBWZBDBI-AWEZNQCLSA-N 0 0 385.851 4.721 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000021800514 570296338 /nfs/dbraw/zinc/29/63/38/570296338.db2.gz CWIVOUAPATUVQQ-OAHLLOKOSA-N 0 0 379.460 4.749 50 0 GJAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000002768270 570299785 /nfs/dbraw/zinc/29/97/85/570299785.db2.gz WWLCGVLJCKWIDM-OAHLLOKOSA-N 0 0 395.480 4.916 50 0 GJAARN O=C(CCc1ccc2c(c1)OCO2)N(CCc1ccccc1)Cc1cccs1 ZINC000021974273 570300754 /nfs/dbraw/zinc/30/07/54/570300754.db2.gz GYFMUGGOGIWUKY-UHFFFAOYSA-N 0 0 393.508 4.681 50 0 GJAARN O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010812294 570303573 /nfs/dbraw/zinc/30/35/73/570303573.db2.gz RSJMLWQZODMNOI-UHFFFAOYSA-N 0 0 383.831 4.578 50 0 GJAARN CCN(C)C(=O)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2F)n1 ZINC000034713218 570303723 /nfs/dbraw/zinc/30/37/23/570303723.db2.gz VBWADFXVWXFKLA-UHFFFAOYSA-N 0 0 388.439 4.759 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc2c1CCCCC2 ZINC000002841883 570306953 /nfs/dbraw/zinc/30/69/53/570306953.db2.gz IVEMBEUESURQIL-CQSZACIVSA-N 0 0 387.501 4.600 50 0 GJAARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000021741603 570307707 /nfs/dbraw/zinc/30/77/07/570307707.db2.gz MAWWDUVYOJUCIG-MGPQQGTHSA-N 0 0 393.603 4.648 50 0 GJAARN COc1cccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)c1 ZINC000002854553 570309505 /nfs/dbraw/zinc/30/95/05/570309505.db2.gz CWEAFIVFAILFJQ-UHFFFAOYSA-N 0 0 377.375 4.622 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000002855454 570309842 /nfs/dbraw/zinc/30/98/42/570309842.db2.gz RXFXGQBLNZGLLJ-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN Cc1cc(Nc2nc3ccc(Cl)cc3n3cnnc23)ccc1Br ZINC000004835036 570310321 /nfs/dbraw/zinc/31/03/21/570310321.db2.gz PQEKHVSALCLYAU-UHFFFAOYSA-N 0 0 388.656 4.745 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccc(C)cc3)nn2)o1 ZINC000000737846 570310819 /nfs/dbraw/zinc/31/08/19/570310819.db2.gz AOPVPXMYBZRGGH-HNNXBMFYSA-N 0 0 381.501 4.866 50 0 GJAARN O=C(COc1ccc2ccccc2c1Br)NCCCc1ccccc1 ZINC000002862572 570311706 /nfs/dbraw/zinc/31/17/06/570311706.db2.gz GAGOKSOLZGTDRP-UHFFFAOYSA-N 0 0 398.300 4.730 50 0 GJAARN COc1cc2sc(NC(=O)c3ccc(Br)o3)nc2cc1Cl ZINC000002861635 570311717 /nfs/dbraw/zinc/31/17/17/570311717.db2.gz RHVFXRDSXCTHEP-UHFFFAOYSA-N 0 0 387.642 4.566 50 0 GJAARN Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)nc2c1CCCC2 ZINC000002866517 570312647 /nfs/dbraw/zinc/31/26/47/570312647.db2.gz FLGYGWCUORUVRG-UHFFFAOYSA-N 0 0 382.316 4.701 50 0 GJAARN Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccc(F)cc1F)O2)CCC3 ZINC000012321403 570313482 /nfs/dbraw/zinc/31/34/82/570313482.db2.gz OLKLOTDCTCJTAB-QGZVFWFLSA-N 0 0 382.362 4.575 50 0 GJAARN c1ccc(OCCSc2nnc3n2c2ccccc2n3-c2ccccc2)cc1 ZINC000002871975 570313868 /nfs/dbraw/zinc/31/38/68/570313868.db2.gz DKCSBXAKGNILAD-UHFFFAOYSA-N 0 0 386.480 4.844 50 0 GJAARN CC(C)[C@@H](C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)n1cccc1 ZINC000575443163 570314346 /nfs/dbraw/zinc/31/43/46/570314346.db2.gz YGUQQTRXBKWQGO-AWEZNQCLSA-N 0 0 383.395 4.832 50 0 GJAARN CC(C)NC(=O)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714341 570314485 /nfs/dbraw/zinc/31/44/85/570314485.db2.gz SAXVPKJWZKOWAA-UHFFFAOYSA-N 0 0 388.439 4.806 50 0 GJAARN COc1cc(OC)cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(C)cc2)c1 ZINC000023330657 570315980 /nfs/dbraw/zinc/31/59/80/570315980.db2.gz CDUJHWIJXASZEA-DEOSSOPVSA-N 0 0 387.479 4.800 50 0 GJAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000002883472 570316066 /nfs/dbraw/zinc/31/60/66/570316066.db2.gz LTVVHYBNJNTVBA-UHFFFAOYSA-N 0 0 381.545 4.667 50 0 GJAARN CCN(C(=O)C1CCC(C(=O)N(CC)c2ccccc2)CC1)c1ccccc1 ZINC000002883349 570316075 /nfs/dbraw/zinc/31/60/75/570316075.db2.gz KDDINSLAYIZECV-UHFFFAOYSA-N 0 0 378.516 4.899 50 0 GJAARN COc1ccccc1NC1(c2nnnn2-c2c(C)cccc2C)CCC(C)CC1 ZINC000022437209 570317253 /nfs/dbraw/zinc/31/72/53/570317253.db2.gz SFNCYAUYGCBHKM-UHFFFAOYSA-N 0 0 391.519 4.805 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc1 ZINC000022462024 570317518 /nfs/dbraw/zinc/31/75/18/570317518.db2.gz ORQJCGDNAQPBOG-OUKQBFOZSA-N 0 0 387.395 4.657 50 0 GJAARN O=C(Nc1ccccc1)c1ccccc1OCc1noc(-c2cccs2)n1 ZINC000012949512 570317792 /nfs/dbraw/zinc/31/77/92/570317792.db2.gz CQVGHJYHMJBTRA-UHFFFAOYSA-N 0 0 377.425 4.629 50 0 GJAARN FC(F)Oc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000002919721 570318541 /nfs/dbraw/zinc/31/85/41/570318541.db2.gz SMJNKOAUOJTHOP-CABCVRRESA-N 0 0 376.794 4.679 50 0 GJAARN CCc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000016161596 570318663 /nfs/dbraw/zinc/31/86/63/570318663.db2.gz ZSUUYAKZLIUUMM-QFIPXVFZSA-N 0 0 378.497 4.564 50 0 GJAARN CC(C)COc1ccccc1-c1nc(C(=O)NCc2cccc(F)c2)cs1 ZINC000034714532 570318725 /nfs/dbraw/zinc/31/87/25/570318725.db2.gz RMDNDUBOFCNDIG-UHFFFAOYSA-N 0 0 384.476 4.914 50 0 GJAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)sc2c1 ZINC000002954737 570319869 /nfs/dbraw/zinc/31/98/69/570319869.db2.gz ZOGPLQDUZLYUPK-UHFFFAOYSA-N 0 0 393.493 4.992 50 0 GJAARN Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(Cl)cc(Cl)c3N)o2)c1 ZINC000016210468 570319855 /nfs/dbraw/zinc/31/98/55/570319855.db2.gz KPCRTLQBZKZMPO-JTQLQIEISA-N 0 0 392.242 4.852 50 0 GJAARN CCOc1ccccc1NC(=O)c1sc(-n2nc(C)c(Cl)c2C)nc1C ZINC000014608824 570319871 /nfs/dbraw/zinc/31/98/71/570319871.db2.gz DMVCCNQRUCISDK-UHFFFAOYSA-N 0 0 390.896 4.558 50 0 GJAARN COc1ccc2c(c1)CCCN2C(=O)c1c(C)oc2c1c(F)c(F)c(F)c2F ZINC000024876012 570322416 /nfs/dbraw/zinc/32/24/16/570322416.db2.gz 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GJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2SC2CCCC2)CC1 ZINC000024579699 570386301 /nfs/dbraw/zinc/38/63/01/570386301.db2.gz VQNYZBQBAKKAGH-UHFFFAOYSA-N 0 0 388.577 4.945 50 0 GJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000024616132 570388011 /nfs/dbraw/zinc/38/80/11/570388011.db2.gz YZVPQSKMYIFURP-UHFFFAOYSA-N 0 0 397.858 4.920 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000010958268 570388549 /nfs/dbraw/zinc/38/85/49/570388549.db2.gz OVAFGJOKLIOQEC-UHFFFAOYSA-N 0 0 383.732 4.936 50 0 GJAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(Br)cc2)cc1 ZINC000035536624 570390810 /nfs/dbraw/zinc/39/08/10/570390810.db2.gz KERDNNZIZZIKQX-UHFFFAOYSA-N 0 0 387.233 4.673 50 0 GJAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1cccc(C)c1 ZINC000035536672 570390932 /nfs/dbraw/zinc/39/09/32/570390932.db2.gz CZSYIRWTRWZQAL-UHFFFAOYSA-N 0 0 385.261 4.651 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)c(OC)c1 ZINC000035539808 570391891 /nfs/dbraw/zinc/39/18/91/570391891.db2.gz UUCPUOPROGEWAD-UHFFFAOYSA-N 0 0 393.443 4.664 50 0 GJAARN CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccccc2F)cc1 ZINC000024761650 570392338 /nfs/dbraw/zinc/39/23/38/570392338.db2.gz CMMZTIJHQIWVCQ-UHFFFAOYSA-N 0 0 396.466 4.545 50 0 GJAARN CCCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 ZINC000004998592 570392385 /nfs/dbraw/zinc/39/23/85/570392385.db2.gz ABJIBYQXIOWAPP-UHFFFAOYSA-N 0 0 383.498 4.944 50 0 GJAARN Cc1ccccc1CNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000035528892 570393441 /nfs/dbraw/zinc/39/34/41/570393441.db2.gz RBKWFQBSRAJUOT-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000005002990 570393614 /nfs/dbraw/zinc/39/36/14/570393614.db2.gz ZZDVDQQRYBKJCH-UHFFFAOYSA-N 0 0 390.446 4.952 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc2c(cccc2Cl)[nH]1 ZINC000024839794 570395673 /nfs/dbraw/zinc/39/56/73/570395673.db2.gz JZDJCGNBLCBCQM-UHFFFAOYSA-N 0 0 392.890 4.613 50 0 GJAARN Cc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2cccc(C)c2)cc1 ZINC000035562332 570397395 /nfs/dbraw/zinc/39/73/95/570397395.db2.gz KLLWCFTWTMNKJX-UHFFFAOYSA-N 0 0 397.478 4.967 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1-c1ccccc1 ZINC000035563629 570397785 /nfs/dbraw/zinc/39/77/85/570397785.db2.gz NJHWTICRMHEWFJ-UHFFFAOYSA-N 0 0 380.419 4.956 50 0 GJAARN COc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 ZINC000006375891 570398796 /nfs/dbraw/zinc/39/87/96/570398796.db2.gz NTXROGCWSJVHPG-UHFFFAOYSA-N 0 0 388.876 4.798 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000024927532 570398875 /nfs/dbraw/zinc/39/88/75/570398875.db2.gz UQBCXUPBZTWSOB-UHFFFAOYSA-N 0 0 391.500 4.940 50 0 GJAARN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)cc1 ZINC000004739337 570400759 /nfs/dbraw/zinc/40/07/59/570400759.db2.gz GICJOMSLBBBAOH-UHFFFAOYSA-N 0 0 399.498 4.827 50 0 GJAARN CCN(CC)c1ncc(C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc21 ZINC000033073317 570400839 /nfs/dbraw/zinc/40/08/39/570400839.db2.gz VKSUQRBZSXXDDS-UHFFFAOYSA-N 0 0 383.879 4.995 50 0 GJAARN CNc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc21 ZINC000024977951 570400862 /nfs/dbraw/zinc/40/08/62/570400862.db2.gz UHSAQTSXRDVIJQ-LBPRGKRZSA-N 0 0 386.908 4.753 50 0 GJAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCCC(C)C)c3)n2)cc1 ZINC000033130473 570401892 /nfs/dbraw/zinc/40/18/92/570401892.db2.gz OFMITKPQVHQMNE-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1 ZINC000005035528 570402341 /nfs/dbraw/zinc/40/23/41/570402341.db2.gz MINCVGMTTQJVSV-UHFFFAOYSA-N 0 0 390.395 4.929 50 0 GJAARN CC1CCN(c2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc32)CC1 ZINC000005035232 570403585 /nfs/dbraw/zinc/40/35/85/570403585.db2.gz DIEHEMNYTJLCQS-UHFFFAOYSA-N 0 0 377.879 4.834 50 0 GJAARN Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)c(F)c3F)c2C(F)(F)F)cc1 ZINC000121254657 570404667 /nfs/dbraw/zinc/40/46/67/570404667.db2.gz SNCDMVSJPFZMML-UHFFFAOYSA-N 0 0 399.294 4.869 50 0 GJAARN Cc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)c1 ZINC000004777090 570404971 /nfs/dbraw/zinc/40/49/71/570404971.db2.gz ZYGRDFFAAKMDLS-INIZCTEOSA-N 0 0 391.858 4.603 50 0 GJAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccccc2F)c(Cl)c1 ZINC000006402779 570405490 /nfs/dbraw/zinc/40/54/90/570405490.db2.gz CMOYFSJNBIZOIP-UHFFFAOYSA-N 0 0 383.876 4.921 50 0 GJAARN COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(OC)c1OC ZINC000004788982 570405976 /nfs/dbraw/zinc/40/59/76/570405976.db2.gz VQIZEMZOHPZSDU-SDYXESRWSA-N 0 0 384.472 4.867 50 0 GJAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2ccccc2oc1=O ZINC000005777107 570406813 /nfs/dbraw/zinc/40/68/13/570406813.db2.gz WTTKZWFDJFZHEQ-UHFFFAOYSA-N 0 0 396.855 4.746 50 0 GJAARN CSc1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000004810809 570407403 /nfs/dbraw/zinc/40/74/03/570407403.db2.gz LXDMBWYEKSDEGI-UHFFFAOYSA-N 0 0 382.194 4.776 50 0 GJAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 ZINC000025184396 570407833 /nfs/dbraw/zinc/40/78/33/570407833.db2.gz SDFWRNQJNYARMA-IRLDBZIGSA-N 0 0 379.891 4.664 50 0 biogenic GJAARN Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCc4c3cccc4O)s2)cc1 ZINC000072235925 570408977 /nfs/dbraw/zinc/40/89/77/570408977.db2.gz XBFUQNHPXCXJMJ-SFHVURJKSA-N 0 0 379.485 4.557 50 0 GJAARN O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)c(Cl)c1 ZINC000004834869 570409757 /nfs/dbraw/zinc/40/97/57/570409757.db2.gz JFSRVSNMDOPQQN-UHFFFAOYSA-N 0 0 394.279 4.559 50 0 GJAARN COc1cccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)c1 ZINC000035672922 570412138 /nfs/dbraw/zinc/41/21/38/570412138.db2.gz NAUKKNNEVHNTOY-UHFFFAOYSA-N 0 0 397.500 4.533 50 0 GJAARN CCCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)c1ccccc1C ZINC000005083225 570413557 /nfs/dbraw/zinc/41/35/57/570413557.db2.gz LMNFPIBJSHDIGF-UHFFFAOYSA-N 0 0 375.472 4.503 50 0 GJAARN Cc1ccccc1-c1noc(CCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000004869890 570414504 /nfs/dbraw/zinc/41/45/04/570414504.db2.gz OCPMBBLKZWZZGQ-UHFFFAOYSA-N 0 0 375.350 4.635 50 0 GJAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cl)cc1F ZINC000005089619 570414688 /nfs/dbraw/zinc/41/46/88/570414688.db2.gz GXVBWRZTRLOUBY-UHFFFAOYSA-N 0 0 393.039 4.913 50 0 GJAARN O=C(CCc1ccsc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000025549777 570415659 /nfs/dbraw/zinc/41/56/59/570415659.db2.gz XSBZWJSWDHAFNY-UHFFFAOYSA-N 0 0 389.318 4.509 50 0 GJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000035684843 570416223 /nfs/dbraw/zinc/41/62/23/570416223.db2.gz OFTQFPDHUMMCQN-INIZCTEOSA-N 0 0 398.825 4.823 50 0 GJAARN CC[C@H](C)NC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 ZINC000005100341 570416697 /nfs/dbraw/zinc/41/66/97/570416697.db2.gz XINPKFPJMYCGOQ-HNNXBMFYSA-N 0 0 391.519 4.586 50 0 GJAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)CC(C)C ZINC000005096720 570417113 /nfs/dbraw/zinc/41/71/13/570417113.db2.gz YOTXPENMWGWGQT-FQEVSTJZSA-N 0 0 398.547 4.524 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000025665002 570417763 /nfs/dbraw/zinc/41/77/63/570417763.db2.gz JJSSECSJEFTAER-HOYKHHGWSA-N 0 0 398.462 4.522 50 0 GJAARN O=C(CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)NCCc1ccco1 ZINC000010999172 570417872 /nfs/dbraw/zinc/41/78/72/570417872.db2.gz HXUZOTNDHVAXIR-UHFFFAOYSA-N 0 0 376.431 4.859 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000025707757 570418597 /nfs/dbraw/zinc/41/85/97/570418597.db2.gz SPMUKDYOHKVVDC-UHFFFAOYSA-N 0 0 398.466 4.784 50 0 GJAARN ON1c2cc(Cl)c(Cl)cc2NN=C1c1ccc(Br)cc1F ZINC000025760619 570419118 /nfs/dbraw/zinc/41/91/18/570419118.db2.gz VOKWKKKAKLKSNQ-UHFFFAOYSA-N 0 0 391.027 4.878 50 0 GJAARN O=S(=O)(c1ccc(F)cc1)N(Cc1cccc2cccnc21)c1ccccc1 ZINC000025806675 570419757 /nfs/dbraw/zinc/41/97/57/570419757.db2.gz VNPJUNSPHMOFEA-UHFFFAOYSA-N 0 0 392.455 4.769 50 0 GJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000025888069 570420555 /nfs/dbraw/zinc/42/05/55/570420555.db2.gz MEHBFVPTIGIEDM-UHFFFAOYSA-N 0 0 397.906 4.594 50 0 GJAARN COc1cc2c(cc1OC)CN(Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000004987827 570421880 /nfs/dbraw/zinc/42/18/80/570421880.db2.gz RPNKNAGECNQMPS-UHFFFAOYSA-N 0 0 389.495 4.841 50 0 GJAARN O=C(OCc1ccc(Cl)nc1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000026631136 570421962 /nfs/dbraw/zinc/42/19/62/570421962.db2.gz ZMJXNKIWJZNQGX-GOOCMWNKSA-N 0 0 383.966 4.781 50 0 GJAARN CCCCn1c(C)c(C)nc1S[C@@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000026122130 570422395 /nfs/dbraw/zinc/42/23/95/570422395.db2.gz VJBLDPKGKHQPBE-INIZCTEOSA-N 0 0 399.560 4.573 50 0 GJAARN COc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Cl ZINC000006442859 570423634 /nfs/dbraw/zinc/42/36/34/570423634.db2.gz RJZVZBVQRWOCRP-UHFFFAOYSA-N 0 0 386.835 4.785 50 0 GJAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)Nc1ccccc1Cl ZINC000032951113 570425467 /nfs/dbraw/zinc/42/54/67/570425467.db2.gz MRDOGKUYRNSGRR-UHFFFAOYSA-N 0 0 382.773 4.530 50 0 GJAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)cc4)csc3n2)cc1 ZINC000005147026 570427109 /nfs/dbraw/zinc/42/71/09/570427109.db2.gz PZTIWPOYMOKNEH-UHFFFAOYSA-N 0 0 391.496 4.951 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)N[C@H](C)c4ccccc4)csc3n2)cc1 ZINC000005147197 570427328 /nfs/dbraw/zinc/42/73/28/570427328.db2.gz GYHNZOLIJSNSGI-MRXNPFEDSA-N 0 0 375.497 4.791 50 0 GJAARN CCCCNC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C ZINC000005152017 570428988 /nfs/dbraw/zinc/42/89/88/570428988.db2.gz IGOYZKQJTAIKPY-UHFFFAOYSA-N 0 0 378.520 4.503 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)[C@H]1C ZINC000239309202 570429088 /nfs/dbraw/zinc/42/90/88/570429088.db2.gz HHGPQTGILUJUHV-VNHYZAJKSA-N 0 0 393.603 4.696 50 0 GJAARN O=C(CSc1nc2cc(Cl)ccc2s1)N[C@@H]1CCOc2ccccc21 ZINC000026911080 570430005 /nfs/dbraw/zinc/43/00/05/570430005.db2.gz JGEXGYNFVOSSLE-CYBMUJFWSA-N 0 0 390.917 4.682 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1ncnc2ccsc21 ZINC000026963698 570430186 /nfs/dbraw/zinc/43/01/86/570430186.db2.gz BHFIQYJPPNQABM-SNVBAGLBSA-N 0 0 393.921 4.781 50 0 GJAARN O=C(Nc1ccc(SCc2ccc(C(F)(F)F)cc2)nn1)c1ccco1 ZINC000011739284 570431565 /nfs/dbraw/zinc/43/15/65/570431565.db2.gz ANHKRCCHBGNEJV-UHFFFAOYSA-N 0 0 379.363 4.633 50 0 GJAARN Brc1ccccc1-c1nnc(CN(Cc2cccs2)C2CC2)o1 ZINC000027108393 570431932 /nfs/dbraw/zinc/43/19/32/570431932.db2.gz SIWGQMKONMLOTH-UHFFFAOYSA-N 0 0 390.306 4.725 50 0 GJAARN O=C(c1csc2c1CCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000027153954 570432023 /nfs/dbraw/zinc/43/20/23/570432023.db2.gz UDZZJLJGJXATLD-SFHVURJKSA-N 0 0 383.513 4.766 50 0 GJAARN Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)ccc1N1CCCC1=O ZINC000011744984 570432136 /nfs/dbraw/zinc/43/21/36/570432136.db2.gz CPQVTNBZWLWXOM-UHFFFAOYSA-N 0 0 388.920 4.647 50 0 GJAARN Cc1cc(C)cc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1 ZINC000032953841 570434226 /nfs/dbraw/zinc/43/42/26/570434226.db2.gz HTAXOQMDJZANSA-UHFFFAOYSA-N 0 0 390.487 4.641 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000245170781 570434340 /nfs/dbraw/zinc/43/43/40/570434340.db2.gz XGDNAHHETPDYMY-IRLDBZIGSA-N 0 0 391.858 4.986 50 0 GJAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cn(C)nc4C)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000245239776 570434596 /nfs/dbraw/zinc/43/45/96/570434596.db2.gz MEPYNTVXLJQGPP-XAIRVXBLSA-N 0 0 392.543 4.648 50 0 GJAARN Cc1cc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c(C)o1 ZINC000011835537 570437092 /nfs/dbraw/zinc/43/70/92/570437092.db2.gz OBSNRYURSDEUMA-UHFFFAOYSA-N 0 0 397.378 4.696 50 0 GJAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)NCc3ccccc3)n2)c1 ZINC000027663850 570439298 /nfs/dbraw/zinc/43/92/98/570439298.db2.gz GALGFHUESRYIKF-UHFFFAOYSA-N 0 0 383.904 4.661 50 0 GJAARN Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1 ZINC000005478169 570441280 /nfs/dbraw/zinc/44/12/80/570441280.db2.gz NJUVLQZXPXEPIG-UHFFFAOYSA-N 0 0 380.517 4.510 50 0 GJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C=Cc1ccccc1Cl ZINC000001903787 570441543 /nfs/dbraw/zinc/44/15/43/570441543.db2.gz CBAFFZRJZMCXKX-MDZDMXLPSA-N 0 0 391.876 4.741 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000006468277 570442857 /nfs/dbraw/zinc/44/28/57/570442857.db2.gz GZLLUFUUOFHFEG-JKIFEVAISA-N 0 0 398.532 4.602 50 0 GJAARN COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2Br)cc1 ZINC000027795684 570443322 /nfs/dbraw/zinc/44/33/22/570443322.db2.gz DBKCHQCFSPGNQV-UHFFFAOYSA-N 0 0 386.245 4.898 50 0 GJAARN CCC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 ZINC000022655118 570443381 /nfs/dbraw/zinc/44/33/81/570443381.db2.gz PRRLZOKSWKYEAW-WAIKUNEKSA-N 0 0 397.515 4.623 50 0 GJAARN CCCCOc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)ccc1Cl ZINC000027823957 570443939 /nfs/dbraw/zinc/44/39/39/570443939.db2.gz COHWTMLIVRCYHE-UHFFFAOYSA-N 0 0 392.908 4.722 50 0 GJAARN CCc1ccccc1NC(=O)c1csc2nc(-c3ccc(OC)cc3)cn12 ZINC000011902842 570445230 /nfs/dbraw/zinc/44/52/30/570445230.db2.gz JPSXSBXJGYODPE-UHFFFAOYSA-N 0 0 377.469 4.886 50 0 GJAARN O=C(Cc1coc2cc3c(cc12)CCC3)OCCCC(=O)c1ccc(F)cc1 ZINC000032957463 570446415 /nfs/dbraw/zinc/44/64/15/570446415.db2.gz LRALCTQWMLAXJD-UHFFFAOYSA-N 0 0 380.415 4.809 50 0 GJAARN Cc1cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc(C)c1Cl ZINC000011913942 570446792 /nfs/dbraw/zinc/44/67/92/570446792.db2.gz UXXVAIHCNOZQRR-UHFFFAOYSA-N 0 0 391.855 4.632 50 0 GJAARN CCCC[C@@H](CC)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006481108 570448225 /nfs/dbraw/zinc/44/82/25/570448225.db2.gz WXMNWEXWUUORKU-GFCCVEGCSA-N 0 0 392.849 4.972 50 0 GJAARN CC(C)c1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000027992249 570448616 /nfs/dbraw/zinc/44/86/16/570448616.db2.gz HPWACRKVBNXFMJ-UHFFFAOYSA-N 0 0 380.513 4.671 50 0 GJAARN CC(C)COc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000027993522 570448754 /nfs/dbraw/zinc/44/87/54/570448754.db2.gz DVBDFLABUVDFQJ-UHFFFAOYSA-N 0 0 380.513 4.817 50 0 GJAARN Cc1ccc(-n2ccnc2SCC(=O)NC[C@@H](C)c2ccccc2)c(C)c1 ZINC000032957396 570449333 /nfs/dbraw/zinc/44/93/33/570449333.db2.gz DJEKWTZGIUEUJI-GOSISDBHSA-N 0 0 379.529 4.501 50 0 GJAARN CC(=O)Nc1cc(C(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)ccc1C ZINC000125420637 570449619 /nfs/dbraw/zinc/44/96/19/570449619.db2.gz GNJZWHCFHBVSLE-UHFFFAOYSA-N 0 0 397.862 4.500 50 0 GJAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccco1)Nc1ccc(Cl)cc1 ZINC000001978993 570451873 /nfs/dbraw/zinc/45/18/73/570451873.db2.gz IDJGIYBKWBCVQA-UHFFFAOYSA-N 0 0 395.798 4.724 50 0 GJAARN 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C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)OC12CC3CC(CC(C3)C1)C2 ZINC000012401800 570652846 /nfs/dbraw/zinc/65/28/46/570652846.db2.gz PCXPQDVJYZHBPC-IVKJLDKCSA-N 0 0 381.438 4.809 50 0 GJAARN COC(=O)c1cc(OCc2cccc(C(F)(F)F)c2)c2cc(F)ccc2n1 ZINC000065033355 570652894 /nfs/dbraw/zinc/65/28/94/570652894.db2.gz DJLDAIJXGJAMQJ-UHFFFAOYSA-N 0 0 379.309 4.758 50 0 GJAARN CCOC(=O)COc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(C)=O ZINC000002365504 570653359 /nfs/dbraw/zinc/65/33/59/570653359.db2.gz DZRHRVLNWTYPEM-UHFFFAOYSA-N 0 0 383.831 4.700 50 0 GJAARN C[C@H](Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012419349 570657753 /nfs/dbraw/zinc/65/77/53/570657753.db2.gz BGHREPMDGHNIRG-HNNXBMFYSA-N 0 0 394.452 4.941 50 0 GJAARN CCc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000033025459 570660014 /nfs/dbraw/zinc/66/00/14/570660014.db2.gz XGOAJIOXOXJQEF-UHFFFAOYSA-N 0 0 391.519 4.863 50 0 GJAARN COc1ccccc1[C@H](C)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012439379 570663561 /nfs/dbraw/zinc/66/35/61/570663561.db2.gz 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CCCOc1cc(C)c(C)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 ZINC000032603664 570678534 /nfs/dbraw/zinc/67/85/34/570678534.db2.gz ZGQGSFFDGXGQNZ-UHFFFAOYSA-N 0 0 384.501 4.501 50 0 GJAARN COc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C ZINC000012539154 570678730 /nfs/dbraw/zinc/67/87/30/570678730.db2.gz MVAGHAQBYJDPTN-GOSISDBHSA-N 0 0 399.494 4.893 50 0 GJAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000239038516 570681131 /nfs/dbraw/zinc/68/11/31/570681131.db2.gz DIYGODQITXZLQE-ZGLUCXSVSA-N 0 0 396.571 5.616 50 0 GJAARN CC(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c1 ZINC000008774936 570681807 /nfs/dbraw/zinc/68/18/07/570681807.db2.gz BKVGLJJFJNXBLT-QGZVFWFLSA-N 0 0 395.509 4.760 50 0 GJAARN CC(=O)c1cccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000012579604 570683253 /nfs/dbraw/zinc/68/32/53/570683253.db2.gz ICTXIEVYZYLXAY-QFIPXVFZSA-N 0 0 379.500 4.771 50 0 GJAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2ccon2)c(C)s1 ZINC000012583761 570684421 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COc1cccc(Cn2nnc3c2c(-c2ccccc2)nnc3-c2ccccc2)c1 ZINC000001017460 570745934 /nfs/dbraw/zinc/74/59/34/570745934.db2.gz USZZHEGYXFRRKN-UHFFFAOYSA-N 0 0 393.450 4.612 50 0 GJAARN O=C(Cc1noc(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1Cl ZINC000016579684 570747347 /nfs/dbraw/zinc/74/73/47/570747347.db2.gz GFSGEVDZBMPMFG-UHFFFAOYSA-N 0 0 382.634 4.878 50 0 GJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 ZINC000033064279 570749477 /nfs/dbraw/zinc/74/94/77/570749477.db2.gz ZCENVJCYVGNWNO-UHFFFAOYSA-N 0 0 386.904 4.616 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2)cs1 ZINC000032702392 570749918 /nfs/dbraw/zinc/74/99/18/570749918.db2.gz FTFIVNUMJGBBAK-UHFFFAOYSA-N 0 0 378.497 4.805 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C(=S)S2)cc1 ZINC000001080636 570751041 /nfs/dbraw/zinc/75/10/41/570751041.db2.gz FUGZKVACUPSEQW-QGZVFWFLSA-N 0 0 384.526 4.572 50 0 GJAARN Cc1nn(C(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c(C)c1Cl ZINC000001083462 570751139 /nfs/dbraw/zinc/75/11/39/570751139.db2.gz 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570758049 /nfs/dbraw/zinc/75/80/49/570758049.db2.gz MLEBVDGSARAJAI-UHFFFAOYSA-N 0 0 377.826 4.872 50 0 GJAARN CCN1c2ccc(NC(=O)c3ccc(C)s3)cc2Sc2ncccc2C1=O ZINC000065258480 570760450 /nfs/dbraw/zinc/76/04/50/570760450.db2.gz HNZKCWJNTXFZOJ-UHFFFAOYSA-N 0 0 395.509 4.835 50 0 GJAARN CSCC[C@@H](CO)n1cnc(-c2ccccc2)c1COCc1ccccc1 ZINC000065370036 570761676 /nfs/dbraw/zinc/76/16/76/570761676.db2.gz FTJYYNSRRKMENG-FQEVSTJZSA-N 0 0 382.529 4.553 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=NC(C)(C)C ZINC000065260136 570762342 /nfs/dbraw/zinc/76/23/42/570762342.db2.gz UJMWXCLSYHKAHI-XMMPIXPASA-N 0 0 390.531 4.514 50 0 GJAARN COCc1nc(C)c(Cn2cnc(-c3ccccc3)c2C[C@H](C)SC)s1 ZINC000065386651 570763893 /nfs/dbraw/zinc/76/38/93/570763893.db2.gz PNOCOIWXVNSVJP-AWEZNQCLSA-N 0 0 387.574 4.804 50 0 GJAARN CC(=O)Nc1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 ZINC000206991744 570767360 /nfs/dbraw/zinc/76/73/60/570767360.db2.gz ZAPHVFKWRVVCSS-IBGZPJMESA-N 0 0 388.920 4.619 50 0 GJAARN COc1ccc(CCC(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 ZINC000206992814 570767646 /nfs/dbraw/zinc/76/76/46/570767646.db2.gz XVYAMPVQENBONV-FQEVSTJZSA-N 0 0 389.948 4.988 50 0 GJAARN CC(C)c1nc(Cn2cnc(-c3ccccc3)c2-c2cnn(C(C)C)c2)no1 ZINC000065428237 570767746 /nfs/dbraw/zinc/76/77/46/570767746.db2.gz UDUNWYZZSSRMDK-UHFFFAOYSA-N 0 0 376.464 4.549 50 0 GJAARN COc1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1F ZINC000206998775 570768720 /nfs/dbraw/zinc/76/87/20/570768720.db2.gz BCNQATYSCDSWCK-SFHVURJKSA-N 0 0 379.884 4.808 50 0 GJAARN COc1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1 ZINC000524734055 570773377 /nfs/dbraw/zinc/77/33/77/570773377.db2.gz RKWQFQIGOZTTMR-NRFANRHFSA-N 0 0 392.503 4.673 50 0 GJAARN O=C(CCSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1 ZINC000009327994 570775268 /nfs/dbraw/zinc/77/52/68/570775268.db2.gz LSBQLZCXICDEKK-UHFFFAOYSA-N 0 0 393.299 4.899 50 0 GJAARN CC(C)Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)n[nH]1 ZINC000013691107 570776068 /nfs/dbraw/zinc/77/60/68/570776068.db2.gz GGBKFJZLJDGYLE-UHFFFAOYSA-N 0 0 393.303 4.748 50 0 GJAARN CC(C)Oc1ccc(C(=O)/N=c2/sc3c(ccc4ccccc34)n2C)cc1 ZINC000100842401 570776384 /nfs/dbraw/zinc/77/63/84/570776384.db2.gz GFGWYGDSGSLDLJ-GHVJWSGMSA-N 0 0 376.481 4.921 50 0 GJAARN COc1ccc(CNC(=O)c2cc3cn(C4CCCC4)cc3s2)cc1OC ZINC000065285765 570781590 /nfs/dbraw/zinc/78/15/90/570781590.db2.gz JZWFDXJWMVIHKB-UHFFFAOYSA-N 0 0 384.501 4.765 50 0 GJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000032740741 570786204 /nfs/dbraw/zinc/78/62/04/570786204.db2.gz ARFWNUWZJFRSIS-UHFFFAOYSA-N 0 0 379.485 4.544 50 0 GJAARN Cc1nc2ccc(C(=O)Oc3ccc(C4SCCS4)cc3)cc2nc1C ZINC000032740701 570786254 /nfs/dbraw/zinc/78/62/54/570786254.db2.gz OUNAOUUPYQLZTF-UHFFFAOYSA-N 0 0 382.510 4.944 50 0 GJAARN c1csc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013769356 570787407 /nfs/dbraw/zinc/78/74/07/570787407.db2.gz MTMODDHTEBMFBX-IIBYNOLFSA-N 0 0 376.437 4.719 50 0 GJAARN Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)c(C)n1Cc1cccs1 ZINC000032737998 570789440 /nfs/dbraw/zinc/78/94/40/570789440.db2.gz XXXSJUJFXSDDGM-UHFFFAOYSA-N 0 0 377.513 4.669 50 0 GJAARN C[C@@H](NC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1)c1ccccc1 ZINC000065306705 570790424 /nfs/dbraw/zinc/79/04/24/570790424.db2.gz ACLUGDAIKLBNMO-OAHLLOKOSA-N 0 0 390.512 4.644 50 0 GJAARN COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)cc1 ZINC000013806043 570791313 /nfs/dbraw/zinc/79/13/13/570791313.db2.gz ZDNAZDAPSBKPLL-UXDFZSADSA-N 0 0 396.512 4.645 50 0 GJAARN O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000001206308 570794079 /nfs/dbraw/zinc/79/40/79/570794079.db2.gz SFUMZUUYGYESOH-UHFFFAOYSA-N 0 0 376.437 4.686 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000024392923 570796658 /nfs/dbraw/zinc/79/66/58/570796658.db2.gz UAEDVEXBBNEAPB-QFIPXVFZSA-N 0 0 392.499 4.801 50 0 GJAARN CCn1c(SCC(=O)c2c(C)cc(C)cc2C)nnc1-c1ccc(OC)cc1 ZINC000005850423 570797350 /nfs/dbraw/zinc/79/73/50/570797350.db2.gz WRHYBKNLYSVDTC-UHFFFAOYSA-N 0 0 395.528 4.874 50 0 GJAARN Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(s2)c(Cl)ccc3C)on1 ZINC000011693196 570797282 /nfs/dbraw/zinc/79/72/82/570797282.db2.gz UGKVMJFMSHELHH-UHFFFAOYSA-N 0 0 398.875 4.797 50 0 GJAARN O=C(COc1ccccc1F)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000005859576 570797631 /nfs/dbraw/zinc/79/76/31/570797631.db2.gz KDOQADMEGDIJSB-UHFFFAOYSA-N 0 0 383.463 4.795 50 0 GJAARN Cc1ccc(CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1 ZINC000032755305 570797660 /nfs/dbraw/zinc/79/76/60/570797660.db2.gz ASOBYFDDGOHTBB-UHFFFAOYSA-N 0 0 396.531 4.942 50 0 GJAARN COc1ccc(Cl)cc1CN[C@@H](c1nccn1C)c1ccccc1Cl ZINC000170072131 570801346 /nfs/dbraw/zinc/80/13/46/570801346.db2.gz XCOSFTUTAVKCPV-GOSISDBHSA-N 0 0 376.287 4.615 50 0 GJAARN CC(C)CCn1c(CCCC(=O)NCc2ccc(Cl)cc2)nc2cccnc21 ZINC000033072383 570803625 /nfs/dbraw/zinc/80/36/25/570803625.db2.gz WWWKGTKCKBNZID-UHFFFAOYSA-N 0 0 398.938 4.770 50 0 GJAARN O=C(NCc1cccc(Cl)c1)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073226 570804464 /nfs/dbraw/zinc/80/44/64/570804464.db2.gz XNBUCVNKABXSDG-UHFFFAOYSA-N 0 0 379.891 4.809 50 0 GJAARN Cc1ccc(-c2noc(C3C(C)=NC(=S)N[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000004483834 570805065 /nfs/dbraw/zinc/80/50/65/570805065.db2.gz LSGPMOWRTRMURN-KRWDZBQOSA-N 0 0 396.903 4.648 50 0 GJAARN CCc1ccc(NC(=O)c2sc3nc(C)nc(N4CCCC4)c3c2C)cc1 ZINC000033078921 570805318 /nfs/dbraw/zinc/80/53/18/570805318.db2.gz ZPICQBIQPAYXRM-UHFFFAOYSA-N 0 0 380.517 4.723 50 0 GJAARN CCN(Cc1cccc(F)c1)C(=O)c1ccccc1OCc1c(C)noc1C ZINC000036723004 570805532 /nfs/dbraw/zinc/80/55/32/570805532.db2.gz OHQAVIMOZBDLBU-UHFFFAOYSA-N 0 0 382.435 4.672 50 0 GJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(F)cc3)cc12 ZINC000033084568 570806148 /nfs/dbraw/zinc/80/61/48/570806148.db2.gz XHKUHZSFVPAPJF-UHFFFAOYSA-N 0 0 393.462 4.690 50 0 GJAARN Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)[nH]c1Cc1ccccc1 ZINC000004485561 570806268 /nfs/dbraw/zinc/80/62/68/570806268.db2.gz IYXNFSBFFUGBNW-FQEVSTJZSA-N 0 0 391.540 4.595 50 0 GJAARN COc1cc(C(=O)Nc2cccc3c2CCCC3)ccc1OCc1cscn1 ZINC000032786903 570809660 /nfs/dbraw/zinc/80/96/60/570809660.db2.gz COQYRSACBFFGLJ-UHFFFAOYSA-N 0 0 394.496 4.862 50 0 GJAARN c1coc(-c2nnc(SCc3cn4ccccc4n3)n2C2CCCCC2)c1 ZINC000004492688 570809966 /nfs/dbraw/zinc/80/99/66/570809966.db2.gz OSZQFNCTLPEEKR-UHFFFAOYSA-N 0 0 379.489 4.983 50 0 GJAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C)s1)c1ccccc1 ZINC000005974503 570811125 /nfs/dbraw/zinc/81/11/25/570811125.db2.gz ZPUODTGFVAQYGN-HXUWFJFHSA-N 0 0 395.480 4.992 50 0 GJAARN Cc1ccc(-c2nc(CSCc3cc(=O)n4ccsc4n3)cs2)cc1 ZINC000032778685 570811729 /nfs/dbraw/zinc/81/17/29/570811729.db2.gz HNLZPBGUEPOWDA-UHFFFAOYSA-N 0 0 385.539 4.621 50 0 GJAARN COc1cccc(CC(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCC3)c1 ZINC000018235394 570811981 /nfs/dbraw/zinc/81/19/81/570811981.db2.gz KHFHPAHICWQNKD-HSZRJFAPSA-N 0 0 377.509 4.694 50 0 GJAARN C[C@@H](NC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000032795343 570815683 /nfs/dbraw/zinc/81/56/83/570815683.db2.gz OHPBFHZYQAWXBM-XCLFUZPHSA-N 0 0 398.459 4.766 50 0 GJAARN CC(C)Sc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(-c2ccccc2Cl)n1 ZINC000004671273 570818465 /nfs/dbraw/zinc/81/84/65/570818465.db2.gz RTZVGBIFBXWOKV-ZIAGYGMSSA-N 0 0 377.941 4.911 50 0 GJAARN O=C(NCCc1ccccc1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033126379 570819199 /nfs/dbraw/zinc/81/91/99/570819199.db2.gz BFFHPBWWECMBMK-UHFFFAOYSA-N 0 0 384.483 4.712 50 0 GJAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)NCCC(C)C)cc3)n2)cc1 ZINC000033130350 570820798 /nfs/dbraw/zinc/82/07/98/570820798.db2.gz TUEZPGHGPFIZCA-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 GJAARN COc1cc(/C=C/C(=O)N(C)Cc2ccccc2F)cc(Cl)c1OC(C)C ZINC000013070014 570821076 /nfs/dbraw/zinc/82/10/76/570821076.db2.gz QRYKYKILQXPTAF-MDZDMXLPSA-N 0 0 391.870 4.947 50 0 GJAARN CC(=O)NCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 ZINC000007275228 570823988 /nfs/dbraw/zinc/82/39/88/570823988.db2.gz NQALMRIMBWWZRJ-UHFFFAOYSA-N 0 0 379.510 4.647 50 0 GJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@@H](C)c1ccncc1 ZINC000012511510 570824723 /nfs/dbraw/zinc/82/47/23/570824723.db2.gz LQRWVTCOXZENSA-INIZCTEOSA-N 0 0 385.471 4.565 50 0 GJAARN O=C(NCCCn1ccc2ccccc21)c1cc(Br)ccc1Cl ZINC000012517380 570826102 /nfs/dbraw/zinc/82/61/02/570826102.db2.gz NZKJMDVZCHXXKU-UHFFFAOYSA-N 0 0 391.696 4.877 50 0 GJAARN CSc1ccc(CN(C)Cn2ncn(-c3cc(C)ccc3C)c2=S)cc1 ZINC000012516813 570826131 /nfs/dbraw/zinc/82/61/31/570826131.db2.gz QQNCMDHUYNATAP-UHFFFAOYSA-N 0 0 384.574 4.832 50 0 GJAARN O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC000033140109 570826817 /nfs/dbraw/zinc/82/68/17/570826817.db2.gz UKEPFTMIWAHIBK-UHFFFAOYSA-N 0 0 375.447 4.663 50 0 GJAARN CC[C@@H](C)c1ccc([C@@H]2c3c(nc(N)[nH]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101660239 570828640 /nfs/dbraw/zinc/82/86/40/570828640.db2.gz PJPSDOLCUOOKLE-PXAZEXFGSA-N 0 0 398.466 4.827 50 0 GJAARN C[C@@H]1CCCC[C@H]1N1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCCCCC1 ZINC000004686242 570830761 /nfs/dbraw/zinc/83/07/61/570830761.db2.gz LTRVTBLLPCQGMZ-YHYVQYDKSA-N 0 0 382.548 4.991 50 0 GJAARN Cc1cccc(CSC2=NCCN2C(=O)COc2ccc3ccccc3c2)c1 ZINC000007346273 570832267 /nfs/dbraw/zinc/83/22/67/570832267.db2.gz JGFUWAHDCFAOFY-UHFFFAOYSA-N 0 0 390.508 4.659 50 0 GJAARN Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(F)cc2)cc1 ZINC000004518173 570834762 /nfs/dbraw/zinc/83/47/62/570834762.db2.gz JVFGQPYFVNRDPT-UHFFFAOYSA-N 0 0 393.466 4.691 50 0 GJAARN O=C(CCC(=O)c1ccc2ccccc2c1)NCCc1ccc(OC(F)F)cc1 ZINC000014239841 570835665 /nfs/dbraw/zinc/83/56/65/570835665.db2.gz IFIMBINAQZFTJH-UHFFFAOYSA-N 0 0 397.421 4.763 50 0 GJAARN C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000012535707 570835826 /nfs/dbraw/zinc/83/58/26/570835826.db2.gz QLSGQTJAMXUTOU-INIZCTEOSA-N 0 0 375.497 4.825 50 0 GJAARN Cc1cc2c(ccnc2N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)s1 ZINC000033171985 570836617 /nfs/dbraw/zinc/83/66/17/570836617.db2.gz YONVHWYMYSXSNY-UHFFFAOYSA-N 0 0 387.455 4.738 50 0 GJAARN CSc1ccc(Cl)c(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000012537252 570836787 /nfs/dbraw/zinc/83/67/87/570836787.db2.gz OGJXNKYFLPZQNV-UHFFFAOYSA-N 0 0 383.904 4.868 50 0 GJAARN CC[C@H](CO)Nc1nc(CSc2ccccc2)nc2sc3c(c21)CCC3 ZINC000014250585 570838434 /nfs/dbraw/zinc/83/84/34/570838434.db2.gz OQPKFLUGHIBUKY-CYBMUJFWSA-N 0 0 385.558 4.655 50 0 GJAARN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)sc1-c1ccc(F)cc1 ZINC000102241676 570843804 /nfs/dbraw/zinc/84/38/04/570843804.db2.gz UCMCLSNIBUHDCK-CYBMUJFWSA-N 0 0 394.471 4.848 50 0 GJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc(Cl)cc2)o1 ZINC000007444550 570844341 /nfs/dbraw/zinc/84/43/41/570844341.db2.gz LJCIYBYYECBTKJ-UHFFFAOYSA-N 0 0 394.862 4.985 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)[C@H]1C ZINC000102252937 570844768 /nfs/dbraw/zinc/84/47/68/570844768.db2.gz ZZFHFFUXAZDPBV-LLGFUMIMSA-N 0 0 381.472 4.577 50 0 GJAARN Fc1ccc(C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000102351516 570845435 /nfs/dbraw/zinc/84/54/35/570845435.db2.gz VLVXOOUELOIUBL-HNNXBMFYSA-N 0 0 396.294 4.770 50 0 GJAARN CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1cccnc1 ZINC000012545929 570847053 /nfs/dbraw/zinc/84/70/53/570847053.db2.gz ACLBTJKTHIXUGG-UHFFFAOYSA-N 0 0 379.510 4.832 50 0 GJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccccc1-c1ccccc1 ZINC000007471627 570847463 /nfs/dbraw/zinc/84/74/63/570847463.db2.gz QIMPRPDOUKGTLP-UHFFFAOYSA-N 0 0 386.480 4.870 50 0 GJAARN COc1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1Cl ZINC000032841438 570850195 /nfs/dbraw/zinc/85/01/95/570850195.db2.gz BQQWLZDCCZSQQO-UHFFFAOYSA-N 0 0 387.863 4.570 50 0 GJAARN COc1cc(CC(=O)Oc2ccc3oc4ccccc4c3c2)cc(OC)c1OC ZINC000003281577 570850324 /nfs/dbraw/zinc/85/03/24/570850324.db2.gz JDVKNVAUEIFVLM-UHFFFAOYSA-N 0 0 392.407 4.760 50 0 GJAARN Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012548979 570851295 /nfs/dbraw/zinc/85/12/95/570851295.db2.gz AIOQAMQUYPYEMW-FQEVSTJZSA-N 0 0 380.488 4.887 50 0 GJAARN CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](Cc3ncc[nH]3)c3ccccc3)o2)cc1 ZINC000012549887 570851641 /nfs/dbraw/zinc/85/16/41/570851641.db2.gz PLECVWDLMIKCIG-HXUWFJFHSA-N 0 0 399.450 4.586 50 0 GJAARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102565951 570852169 /nfs/dbraw/zinc/85/21/69/570852169.db2.gz DPQQUCSFXSWGNQ-MPBGBICISA-N 0 0 396.372 4.761 50 0 GJAARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1ccccn1 ZINC000102623433 570854745 /nfs/dbraw/zinc/85/47/45/570854745.db2.gz GBUODSHDYJGEIU-LJQANCHMSA-N 0 0 387.443 4.819 50 0 GJAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000033227639 570854860 /nfs/dbraw/zinc/85/48/60/570854860.db2.gz XWPTZMDKCUXFBR-JTQLQIEISA-N 0 0 394.283 4.918 50 0 GJAARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000102662962 570855972 /nfs/dbraw/zinc/85/59/72/570855972.db2.gz MYTXRCKEAJMNIF-WYRIXSBYSA-N 0 0 382.370 4.523 50 0 GJAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000014728749 570856878 /nfs/dbraw/zinc/85/68/78/570856878.db2.gz MROCNNLIMGOYPI-UHFFFAOYSA-N 0 0 386.377 4.501 50 0 GJAARN Cc1cc2cc(NC(=O)[C@H](C(C)C)n3cnc4cc(F)c(F)cc43)ccc2[nH]1 ZINC000170601587 570859154 /nfs/dbraw/zinc/85/91/54/570859154.db2.gz GOGHABYOPOIKJJ-FQEVSTJZSA-N 0 0 382.414 4.940 50 0 GJAARN COc1ccc(-c2csc(C3=C(N)N(Cc4cccs4)CC3=O)n2)cc1 ZINC000102719463 570860326 /nfs/dbraw/zinc/86/03/26/570860326.db2.gz DBEAHYUCUGTNCU-UHFFFAOYSA-N 0 0 383.498 4.642 50 0 GJAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)Nc1ccc(SC(F)F)cc1 ZINC000014805770 570860526 /nfs/dbraw/zinc/86/05/26/570860526.db2.gz MRERXICNXDJLDF-UHFFFAOYSA-N 0 0 398.504 4.583 50 0 GJAARN CC[C@@H]1Cn2c(C(=O)NCCc3ccc(SC)cc3)cc3cccc(c32)O1 ZINC000064657950 570860734 /nfs/dbraw/zinc/86/07/34/570860734.db2.gz PVXAGOVYROAKTL-QGZVFWFLSA-N 0 0 380.513 4.507 50 0 GJAARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745360 570860754 /nfs/dbraw/zinc/86/07/54/570860754.db2.gz UODLIRVHFIKOSS-KPZWWZAWSA-N 0 0 394.456 4.769 50 0 GJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745357 570860982 /nfs/dbraw/zinc/86/09/82/570860982.db2.gz UODLIRVHFIKOSS-XIKOKIGWSA-N 0 0 394.456 4.769 50 0 GJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc(Cl)ccc3C)c12 ZINC000014814537 570860937 /nfs/dbraw/zinc/86/09/37/570860937.db2.gz HBRXJAGWVGFKFL-UHFFFAOYSA-N 0 0 380.835 4.751 50 0 GJAARN COc1ccccc1/C=C\c1nn2c(nnc2-c2ccc3ccccc3n2)s1 ZINC000102751101 570861594 /nfs/dbraw/zinc/86/15/94/570861594.db2.gz NFUSIGLYXJNISJ-QBFSEMIESA-N 0 0 385.452 4.580 50 0 GJAARN CCO[C@H](C)c1nc(C(=O)Nc2cc(Br)c(F)cc2F)cs1 ZINC000170604667 570862124 /nfs/dbraw/zinc/86/21/24/570862124.db2.gz BQBQMVBGORQDFE-SSDOTTSWSA-N 0 0 391.237 4.534 50 0 GJAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(F)cc2)cc1 ZINC000044087078 570862528 /nfs/dbraw/zinc/86/25/28/570862528.db2.gz IHSPTBCTYWEWLY-UHFFFAOYSA-N 0 0 395.503 4.701 50 0 GJAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccccc2)cc1 ZINC000044086035 570862607 /nfs/dbraw/zinc/86/26/07/570862607.db2.gz AJKJJUYANMVUGT-UHFFFAOYSA-N 0 0 391.540 4.952 50 0 GJAARN CCOC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C ZINC000014866297 570863557 /nfs/dbraw/zinc/86/35/57/570863557.db2.gz 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ZINC000033261053 570866664 /nfs/dbraw/zinc/86/66/64/570866664.db2.gz LDDVDJBMTKHIQT-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000102839363 570866878 /nfs/dbraw/zinc/86/68/78/570866878.db2.gz OHVVHIFIVBDWOB-AUUYWEPGSA-N 0 0 376.391 4.838 50 0 GJAARN CC(C)(C)Nc1ccccc1NCC(=O)Nc1ccccc1Br ZINC000170609035 570867006 /nfs/dbraw/zinc/86/70/06/570867006.db2.gz YLSBDTGLKPBBFX-UHFFFAOYSA-N 0 0 376.298 4.710 50 0 GJAARN CCc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)sc2c1 ZINC000003437880 570868991 /nfs/dbraw/zinc/86/89/91/570868991.db2.gz OFHIFLIJZUZHCM-SNVBAGLBSA-N 0 0 383.498 4.544 50 0 GJAARN COc1cccc2cc([C@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc21 ZINC000170612613 570870107 /nfs/dbraw/zinc/87/01/07/570870107.db2.gz VBCOOWYVMAQPAG-GOSISDBHSA-N 0 0 379.847 4.594 50 0 GJAARN O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cc(F)ccc1F)CCO2 ZINC000014992252 570870309 /nfs/dbraw/zinc/87/03/09/570870309.db2.gz KGOIZHGTVNKISJ-HSZRJFAPSA-N 0 0 395.449 4.636 50 0 GJAARN CCSc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000044204244 570870654 /nfs/dbraw/zinc/87/06/54/570870654.db2.gz OBCYYLLURXJNMF-CQSZACIVSA-N 0 0 399.541 4.930 50 0 GJAARN Fc1ccc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000012568031 570871521 /nfs/dbraw/zinc/87/15/21/570871521.db2.gz WUNUCEGCOVVCRA-UHFFFAOYSA-N 0 0 394.475 4.865 50 0 GJAARN Cn1cccc1[C@H]1CCCN1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012568003 570871544 /nfs/dbraw/zinc/87/15/44/570871544.db2.gz SHTVCSQULVJSJJ-FGZHOGPDSA-N 0 0 377.463 4.681 50 0 GJAARN COc1cc(OC)c(OC)cc1C[C@@H]1c2ccccc2N(c2ccccc2)C1=O ZINC000015018240 570872215 /nfs/dbraw/zinc/87/22/15/570872215.db2.gz CRMSBZSUTVEIEX-LJQANCHMSA-N 0 0 389.451 4.717 50 0 GJAARN CN1c2ccc(Br)cc2[C@H](Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000015017829 570872329 /nfs/dbraw/zinc/87/23/29/570872329.db2.gz PQDAFBBAXLXCLY-AWEZNQCLSA-N 0 0 384.195 4.771 50 0 GJAARN CC(C)(C)[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccco1 ZINC000170615611 570873340 /nfs/dbraw/zinc/87/33/40/570873340.db2.gz KJUMXHZLCNRAKX-MRXNPFEDSA-N 0 0 375.266 4.707 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(N3CCSCC3)cc2C)c(C)c1 ZINC000051186804 570875968 /nfs/dbraw/zinc/87/59/68/570875968.db2.gz WAAPEWCUCSSSOV-LJQANCHMSA-N 0 0 397.588 4.913 50 0 GJAARN Cc1cc(S(=O)(=O)N(Cc2ccsc2)C2CC2)c(Cl)cc1Cl ZINC000044446737 570880025 /nfs/dbraw/zinc/88/00/25/570880025.db2.gz KHUHOKKJUSHFFA-UHFFFAOYSA-N 0 0 376.330 4.717 50 0 GJAARN CC1=C(C)Nc2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2N1 ZINC000170624961 570881069 /nfs/dbraw/zinc/88/10/69/570881069.db2.gz DLCFQNRDKUTWCH-UHFFFAOYSA-N 0 0 397.906 4.553 50 0 GJAARN O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000170623568 570881672 /nfs/dbraw/zinc/88/16/72/570881672.db2.gz DMBBTXPDRLXFTL-HXUWFJFHSA-N 0 0 392.842 4.612 50 0 GJAARN CCCc1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 ZINC000012588686 570883226 /nfs/dbraw/zinc/88/32/26/570883226.db2.gz YHXPFQJOXGFXBV-UHFFFAOYSA-N 0 0 386.908 4.604 50 0 GJAARN O=C(c1cc2c(s1)CCC2)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000012598954 570885964 /nfs/dbraw/zinc/88/59/64/570885964.db2.gz ZZBOLLWWTNNAST-CQSZACIVSA-N 0 0 384.526 4.672 50 0 GJAARN O=C(c1cc2c(s1)CCC2)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000012598953 570886016 /nfs/dbraw/zinc/88/60/16/570886016.db2.gz ZZBOLLWWTNNAST-AWEZNQCLSA-N 0 0 384.526 4.672 50 0 GJAARN CCOC(=O)c1cc([C@@H](C)CCC=C(C)C)sc1NC(=O)[C@H](C)OC(C)=O ZINC000022330852 570886107 /nfs/dbraw/zinc/88/61/07/570886107.db2.gz YZCWOCRTDATKAQ-KBPBESRZSA-N 0 0 395.521 4.665 50 0 GJAARN C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1F ZINC000012604120 570887834 /nfs/dbraw/zinc/88/78/34/570887834.db2.gz ZWVLTDUBJJXXGB-LBPRGKRZSA-N 0 0 375.856 4.784 50 0 GJAARN Cc1ccc(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccnc2)cc1F ZINC000033267728 570889600 /nfs/dbraw/zinc/88/96/00/570889600.db2.gz OQCPDGSRVOQWEE-LJQANCHMSA-N 0 0 388.446 4.964 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3CC4)CC2)c1 ZINC000012615692 570891046 /nfs/dbraw/zinc/89/10/46/570891046.db2.gz DMOQYNLZEGUTNL-UHFFFAOYSA-N 0 0 388.536 4.785 50 0 GJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC12CC3CC(CC(C3)C1)C2 ZINC000012617165 570891426 /nfs/dbraw/zinc/89/14/26/570891426.db2.gz FMHJOTUSKUDXRM-UHFFFAOYSA-N 0 0 386.442 4.637 50 0 GJAARN CCS(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)c(Cl)c1Cl ZINC000005718951 570891480 /nfs/dbraw/zinc/89/14/80/570891480.db2.gz IUOAEZJUFDSFLB-UHFFFAOYSA-N 0 0 399.324 4.973 50 0 GJAARN COc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 ZINC000015352571 570892431 /nfs/dbraw/zinc/89/24/31/570892431.db2.gz RUCJDVTXOAHTJX-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN COc1ccc(SCCC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000010219619 570892987 /nfs/dbraw/zinc/89/29/87/570892987.db2.gz FPMWKSSQBDLXTK-UHFFFAOYSA-N 0 0 389.864 4.520 50 0 GJAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc12 ZINC000015393236 570893355 /nfs/dbraw/zinc/89/33/55/570893355.db2.gz GBTMVSOAFGPUFT-CYBMUJFWSA-N 0 0 385.847 4.723 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1C ZINC000010500136 570894607 /nfs/dbraw/zinc/89/46/07/570894607.db2.gz JHWPBPROTYYPPU-UHFFFAOYSA-N 0 0 393.512 4.516 50 0 GJAARN O=C(Nc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1)c1ccccc1 ZINC000023055422 570895561 /nfs/dbraw/zinc/89/55/61/570895561.db2.gz IFCZJAHTAIJPKQ-WMZOPIPTSA-N 0 0 390.405 4.790 50 0 GJAARN O=C(Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000015538446 570896310 /nfs/dbraw/zinc/89/63/10/570896310.db2.gz XQGUVGKDLVQPNW-UHFFFAOYSA-N 0 0 387.222 4.860 50 0 GJAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCc2ccccc2C1 ZINC000012620688 570898669 /nfs/dbraw/zinc/89/86/69/570898669.db2.gz SCTZTOUKHPAUOS-UHFFFAOYSA-N 0 0 399.519 4.703 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000022481319 570899328 /nfs/dbraw/zinc/89/93/28/570899328.db2.gz ZUYHICHZUPWMEP-KRWDZBQOSA-N 0 0 392.890 4.652 50 0 GJAARN Cc1noc(CSc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)n1 ZINC000032901998 570899571 /nfs/dbraw/zinc/89/95/71/570899571.db2.gz WWDQEGLGSHAEBW-UHFFFAOYSA-N 0 0 377.828 4.715 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)c1 ZINC000015630888 570899983 /nfs/dbraw/zinc/89/99/83/570899983.db2.gz AMNZQCVJFHQZMM-UHFFFAOYSA-N 0 0 397.525 4.539 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc(F)cc1Cl ZINC000013695395 570900135 /nfs/dbraw/zinc/90/01/35/570900135.db2.gz LVWLAPZFLLHCJQ-UHFFFAOYSA-N 0 0 384.794 4.527 50 0 GJAARN C[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 ZINC000014808474 570902215 /nfs/dbraw/zinc/90/22/15/570902215.db2.gz OTRSECPDOYTMEK-JTQLQIEISA-N 0 0 392.299 4.533 50 0 GJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000014237028 570904113 /nfs/dbraw/zinc/90/41/13/570904113.db2.gz BNQTTXZKRYADEE-UPVQGACJSA-N 0 0 398.506 4.678 50 0 GJAARN FC(F)Oc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000014330647 570904560 /nfs/dbraw/zinc/90/45/60/570904560.db2.gz LABWTGNBAVWLNR-UHFFFAOYSA-N 0 0 378.382 4.905 50 0 GJAARN CC[C@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)C12CC3CC(CC(C3)C1)C2 ZINC000004578090 570905568 /nfs/dbraw/zinc/90/55/68/570905568.db2.gz HMCNXFWXSDQLLH-RNJZWHOHSA-N 0 0 397.968 4.622 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cccc(C)c3C)cs2)cc1 ZINC000015832729 570905928 /nfs/dbraw/zinc/90/59/28/570905928.db2.gz PMLOUMJVZGUCFL-INIZCTEOSA-N 0 0 396.512 4.519 50 0 GJAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1c(F)cccc1F ZINC000014581972 570906511 /nfs/dbraw/zinc/90/65/11/570906511.db2.gz DWDJJFZPJSWOEN-UHFFFAOYSA-N 0 0 381.404 4.500 50 0 GJAARN Cc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(C)c1 ZINC000051315281 570906679 /nfs/dbraw/zinc/90/66/79/570906679.db2.gz GXMZXBZJOSFTIE-UHFFFAOYSA-N 0 0 392.333 4.609 50 0 GJAARN CCOc1ccc(-n2c3ccccc3nc2S[C@@H](C)c2nc(C)no2)cc1 ZINC000032905974 570906700 /nfs/dbraw/zinc/90/67/00/570906700.db2.gz NUBGNOICBHGQHC-ZDUSSCGKSA-N 0 0 380.473 4.969 50 0 GJAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2sc(C)nc2C)o1 ZINC000032905931 570906729 /nfs/dbraw/zinc/90/67/29/570906729.db2.gz KUCMCTKOFWQOMD-UHFFFAOYSA-N 0 0 389.502 4.704 50 0 GJAARN Cc1nn(C)c2sc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)cc12 ZINC000023112375 570907348 /nfs/dbraw/zinc/90/73/48/570907348.db2.gz LYGVVPYTNXXYBL-UHFFFAOYSA-N 0 0 395.459 4.914 50 0 GJAARN Cc1cc2sc(NC(=O)Cc3csc(-c4ccccn4)n3)nc2c(C)c1 ZINC000014634298 570907396 /nfs/dbraw/zinc/90/73/96/570907396.db2.gz CXFCSADTIFDJNM-UHFFFAOYSA-N 0 0 380.498 4.613 50 0 GJAARN CCOc1ccc([C@@H](C)NC(=O)c2nc(Cl)ccc2Cl)cc1OCC ZINC000015966558 570909425 /nfs/dbraw/zinc/90/94/25/570909425.db2.gz DVXCUPDHFWUWIN-LLVKDONJSA-N 0 0 383.275 4.677 50 0 GJAARN COc1ccc(-c2csc3c2ncn(Cc2cc(C)ccc2C)c3=O)cc1 ZINC000023126642 570909862 /nfs/dbraw/zinc/90/98/62/570909862.db2.gz LOHGKJIHPKAGPU-UHFFFAOYSA-N 0 0 376.481 4.799 50 0 GJAARN COc1ccc(NCC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1Cl ZINC000011257148 570911621 /nfs/dbraw/zinc/91/16/21/570911621.db2.gz FKNDPIRXZFPUEJ-HXUWFJFHSA-N 0 0 386.904 4.728 50 0 GJAARN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000016101651 570913665 /nfs/dbraw/zinc/91/36/65/570913665.db2.gz HLLRLYZRAJDZQS-UHFFFAOYSA-N 0 0 381.078 4.557 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000023130142 570915725 /nfs/dbraw/zinc/91/57/25/570915725.db2.gz KVPSPBLQYAHLBV-QHCPKHFHSA-N 0 0 388.467 4.647 50 0 GJAARN O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(-c2ccccc2F)s1 ZINC000089821258 570916258 /nfs/dbraw/zinc/91/62/58/570916258.db2.gz QTCLTIPHCOZYJQ-UHFFFAOYSA-N 0 0 376.355 4.872 50 0 GJAARN CCCN(Cc1cccnc1)C(=O)c1cccc(-c2cc(C)c(C)[nH]c2=O)c1 ZINC000534647268 570917173 /nfs/dbraw/zinc/91/71/73/570917173.db2.gz TZWNNUGWCSMRMS-UHFFFAOYSA-N 0 0 375.472 4.518 50 0 GJAARN C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nnc(-c2ccccc2)o1 ZINC000016210599 570917700 /nfs/dbraw/zinc/91/77/00/570917700.db2.gz OOMJYXJZFWEJFK-SECBINFHSA-N 0 0 378.215 4.544 50 0 GJAARN C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000007577558 570918603 /nfs/dbraw/zinc/91/86/03/570918603.db2.gz IEOOQYZGGCAMGN-CYBMUJFWSA-N 0 0 396.541 4.899 50 0 GJAARN COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000004038097 570924012 /nfs/dbraw/zinc/92/40/12/570924012.db2.gz CBDXQNJHOXWFAA-WMZHIEFXSA-N 0 0 378.472 4.524 50 0 biogenic GJAARN CSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1-c1ccccc1 ZINC000004050206 570925423 /nfs/dbraw/zinc/92/54/23/570925423.db2.gz XSLZKGBHZVMAKV-UHFFFAOYSA-N 0 0 398.495 4.633 50 0 GJAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000252020882 570926064 /nfs/dbraw/zinc/92/60/64/570926064.db2.gz YHMKCBDMHLARDL-PCCBWWKXSA-N 0 0 396.531 4.888 50 0 GJAARN CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1 ZINC000017113652 570928221 /nfs/dbraw/zinc/92/82/21/570928221.db2.gz RNGMHYLZCRFBOF-UHFFFAOYSA-N 0 0 386.521 4.512 50 0 GJAARN Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3ccccc3)[nH]c2=O)o1 ZINC000170634371 570928610 /nfs/dbraw/zinc/92/86/10/570928610.db2.gz GNXQSJFVZXSUAV-HXUWFJFHSA-N 0 0 376.456 4.701 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 ZINC000016643952 570929800 /nfs/dbraw/zinc/92/98/00/570929800.db2.gz GDCJZHMXOPJPKO-UHFFFAOYSA-N 0 0 390.468 4.606 50 0 GJAARN CCc1cccc(CC)c1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000016650702 570929805 /nfs/dbraw/zinc/92/98/05/570929805.db2.gz WVGXKSZVTUKOGC-UHFFFAOYSA-N 0 0 398.934 4.956 50 0 GJAARN COc1ccc(CCC(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 ZINC000001114429 570931225 /nfs/dbraw/zinc/93/12/25/570931225.db2.gz PTCJAULZCKNTTP-UHFFFAOYSA-N 0 0 375.490 4.510 50 0 GJAARN COc1ccc(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)cc1 ZINC000016742459 570932655 /nfs/dbraw/zinc/93/26/55/570932655.db2.gz XRDUMOVRTAFMQL-VMPITWQZSA-N 0 0 383.498 4.605 50 0 GJAARN Cc1cccc(OCCCOc2ccc(C(=O)NCCc3ccccc3)cc2)c1 ZINC000001791550 570932750 /nfs/dbraw/zinc/93/27/50/570932750.db2.gz CEVRSZRKRVBDTR-UHFFFAOYSA-N 0 0 389.495 4.815 50 0 GJAARN Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000016807819 570933890 /nfs/dbraw/zinc/93/38/90/570933890.db2.gz SJUUVFGRNUXTHK-UHFFFAOYSA-N 0 0 384.411 4.552 50 0 GJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000046913372 570935484 /nfs/dbraw/zinc/93/54/84/570935484.db2.gz POLVOBXEFXPJFA-UHFFFAOYSA-N 0 0 399.498 4.845 50 0 GJAARN CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc(CC)s2)cc1OC ZINC000017028139 570937547 /nfs/dbraw/zinc/93/75/47/570937547.db2.gz DIERZRUWEKSTRR-ZRDIBKRKSA-N 0 0 389.521 4.720 50 0 GJAARN COc1cc2c(c(OC)c1)[C@@H](c1cccc(Oc3ccccc3)c1)CC(=O)N2 ZINC000017076774 570938914 /nfs/dbraw/zinc/93/89/14/570938914.db2.gz CXXKAPCZEPXXRY-LJQANCHMSA-N 0 0 375.424 4.970 50 0 GJAARN CCO[C@@H]1C[C@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 ZINC000170638756 570939665 /nfs/dbraw/zinc/93/96/65/570939665.db2.gz QWOLFGKVXQVPTO-UONOGXRCSA-N 0 0 398.450 4.701 50 0 GJAARN CCc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1CC ZINC000017080464 570940975 /nfs/dbraw/zinc/94/09/75/570940975.db2.gz MSQMCFXPQMVFDA-UHFFFAOYSA-N 0 0 393.727 4.551 50 0 GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(F)(F)F)c1 ZINC000047157869 570944690 /nfs/dbraw/zinc/94/46/90/570944690.db2.gz PFZAJHXZNGZTJL-UHFFFAOYSA-N 0 0 375.350 4.877 50 0 GJAARN Cc1nc2cccnc2n1-c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1C ZINC000032931958 570946541 /nfs/dbraw/zinc/94/65/41/570946541.db2.gz DFOQIKKDHQAOLU-UHFFFAOYSA-N 0 0 390.874 4.621 50 0 GJAARN CCCCc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000002181356 570947133 /nfs/dbraw/zinc/94/71/33/570947133.db2.gz QHSCDHGYYSDKNB-UHFFFAOYSA-N 0 0 379.241 4.886 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(C)cc1)CC(=O)N2 ZINC000033271463 570947201 /nfs/dbraw/zinc/94/72/01/570947201.db2.gz SIRZHPBADXEDRK-MRXNPFEDSA-N 0 0 388.496 4.881 50 0 GJAARN CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000001295811 570947347 /nfs/dbraw/zinc/94/73/47/570947347.db2.gz POQUZZJZYOEGLP-UHFFFAOYSA-N 0 0 386.904 4.746 50 0 GJAARN Brc1ccc2nc(CSc3nc4ccccc4s3)cn2c1 ZINC000012659248 570947762 /nfs/dbraw/zinc/94/77/62/570947762.db2.gz KOTCZJFHBPWMEH-UHFFFAOYSA-N 0 0 376.304 4.999 50 0 GJAARN O=C(c1ncoc1-c1ccccc1Cl)N1CCC(Nc2ccccc2F)CC1 ZINC000170640958 570949011 /nfs/dbraw/zinc/94/90/11/570949011.db2.gz YZWSLIFRKFOYOL-UHFFFAOYSA-N 0 0 399.853 4.851 50 0 GJAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)cc1C ZINC000001247233 570950146 /nfs/dbraw/zinc/95/01/46/570950146.db2.gz HWBRAPMNACQRKC-UHFFFAOYSA-N 0 0 393.512 4.903 50 0 GJAARN C/C(C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc21)=C/c1ccco1 ZINC000002112843 570950819 /nfs/dbraw/zinc/95/08/19/570950819.db2.gz YYOVFYITLSJKIT-IRIVWFMVSA-N 0 0 382.423 4.709 50 0 GJAARN Cc1cn2c(/C=C/C(=O)N3CCCCC[C@H]3c3cccn3C)c(C)nc2s1 ZINC000025712392 570954010 /nfs/dbraw/zinc/95/40/10/570954010.db2.gz AMBQSOUVSHVEKH-VYENPZKTSA-N 0 0 382.533 4.508 50 0 GJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 ZINC000263619632 570955775 /nfs/dbraw/zinc/95/57/75/570955775.db2.gz ZRPZENBEGPPMHP-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN O=C(NCc1cccnc1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000002120849 570955914 /nfs/dbraw/zinc/95/59/14/570955914.db2.gz RLEQTAMKUNPUND-UHFFFAOYSA-N 0 0 396.425 4.847 50 0 biogenic GJAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(Cl)cc2Cl)sc2c1CCC2 ZINC000033288653 570955962 /nfs/dbraw/zinc/95/59/62/570955962.db2.gz BBIJCBRUAKPTSP-VURMDHGXSA-N 0 0 396.295 4.982 50 0 GJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2)c(C)c1 ZINC000033288895 570956053 /nfs/dbraw/zinc/95/60/53/570956053.db2.gz UVXMJCNUFWRXFG-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN NC(=O)c1c(NC(=O)/C=C\c2cccc(Cl)c2)sc2c1CCCCCC2 ZINC000033288771 570956183 /nfs/dbraw/zinc/95/61/83/570956183.db2.gz BMUIBUTWXWSWHR-KHPPLWFESA-N 0 0 388.920 4.811 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1 ZINC000033289070 570956507 /nfs/dbraw/zinc/95/65/07/570956507.db2.gz JPNWUJYUKKBNDC-UHFFFAOYSA-N 0 0 381.526 4.975 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1cccn2cc(-c3ccccc3)nc12 ZINC000004741706 570956517 /nfs/dbraw/zinc/95/65/17/570956517.db2.gz RUWVNHLWRAODPP-UHFFFAOYSA-N 0 0 399.479 4.608 50 0 GJAARN Cc1cccc(-c2nc(C3CCN(C(=O)c4cc(C)cc(C)c4)CC3)no2)c1 ZINC000033281846 570957356 /nfs/dbraw/zinc/95/73/56/570957356.db2.gz NSZRABGOCFLAPS-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN Cc1cc(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000047507553 570960784 /nfs/dbraw/zinc/96/07/84/570960784.db2.gz TZKDMFVFJDFOIT-UHFFFAOYSA-N 0 0 399.922 4.682 50 0 GJAARN CCOc1ccc(-c2noc(Cc3nc(-c4ccc(F)cc4)cs3)n2)cc1 ZINC000033298205 570962194 /nfs/dbraw/zinc/96/21/94/570962194.db2.gz QVHBSRPEQIJBSY-UHFFFAOYSA-N 0 0 381.432 4.989 50 0 GJAARN COc1cc2oc(C(=O)c3ccc(Br)cc3)c(C)c2c(OC)c1 ZINC000000601725 570962470 /nfs/dbraw/zinc/96/24/70/570962470.db2.gz LTDQGCFMTVHZKP-UHFFFAOYSA-N 0 0 375.218 4.752 50 0 GJAARN COc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccccc2Cl)C3)cc1 ZINC000004751377 570963751 /nfs/dbraw/zinc/96/37/51/570963751.db2.gz UNEPGOWJIRFMBL-UHFFFAOYSA-N 0 0 392.842 4.761 50 0 GJAARN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)NCCC2=CCCCC2)c1C ZINC000033306716 570967201 /nfs/dbraw/zinc/96/72/01/570967201.db2.gz JURONCSDBQYEGO-UHFFFAOYSA-N 0 0 393.578 4.541 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C)c3C)c(C)s2)cs1 ZINC000033308394 570968114 /nfs/dbraw/zinc/96/81/14/570968114.db2.gz VDXSWMODPASGHY-UHFFFAOYSA-N 0 0 378.544 4.906 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000252480850 570968213 /nfs/dbraw/zinc/96/82/13/570968213.db2.gz CFDNTCBMMQKTQV-HNNXBMFYSA-N 0 0 399.441 4.651 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC(C)C)n1 ZINC000012225673 570968360 /nfs/dbraw/zinc/96/83/60/570968360.db2.gz QCRSKUYVEKOWLB-UHFFFAOYSA-N 0 0 380.423 4.707 50 0 GJAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000004165404 570969014 /nfs/dbraw/zinc/96/90/14/570969014.db2.gz XDNVIJCNYRHZEN-UHFFFAOYSA-N 0 0 390.405 4.505 50 0 GJAARN COc1ccc([C@@H](NC(=O)N(C)Cc2cc3ccccc3o2)C(F)F)cc1F ZINC000252489790 570970810 /nfs/dbraw/zinc/97/08/10/570970810.db2.gz KALCSFPYXDGGMW-GOSISDBHSA-N 0 0 392.377 4.728 50 0 GJAARN Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000004167451 570970871 /nfs/dbraw/zinc/97/08/71/570970871.db2.gz PJSIIUPWBBKBGS-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(F)c(C)c1 ZINC000033312587 570971766 /nfs/dbraw/zinc/97/17/66/570971766.db2.gz 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Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)c1 ZINC000015883047 210178421 /nfs/dbraw/zinc/17/84/21/210178421.db2.gz JDEFWAPDOROMRS-UHFFFAOYSA-N 0 0 384.838 4.558 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1 ZINC000015863735 210176623 /nfs/dbraw/zinc/17/66/23/210176623.db2.gz MIQHZZZUTJFCEY-UHFFFAOYSA-N 0 0 385.467 4.999 50 0 GJAARN Cc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C)c1 ZINC000015860777 210175101 /nfs/dbraw/zinc/17/51/01/210175101.db2.gz SJTXGISMMJDFDI-OAQYLSRUSA-N 0 0 386.495 4.684 50 0 GJAARN Cc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCC2)o1 ZINC000015860418 210174746 /nfs/dbraw/zinc/17/47/46/210174746.db2.gz YVPSOAQWARIAHC-SFHVURJKSA-N 0 0 384.451 4.739 50 0 GJAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000015857960 210174228 /nfs/dbraw/zinc/17/42/28/210174228.db2.gz LWURBZMLVCBDCK-UHFFFAOYSA-N 0 0 392.499 4.641 50 0 GJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)NCc3ccc(C)cc3)cc2s1 ZINC000015861828 210173850 /nfs/dbraw/zinc/17/38/50/210173850.db2.gz 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/nfs/dbraw/zinc/16/06/30/210160630.db2.gz XXNMMPLZXSMGSA-VINFYQEGSA-N 0 0 375.512 4.850 50 0 GJAARN Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccccc3)C2=O)cc1 ZINC000015413135 210158639 /nfs/dbraw/zinc/15/86/39/210158639.db2.gz SLTIZATXLGAQSU-XMMPIXPASA-N 0 0 384.479 4.733 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000015499447 210158734 /nfs/dbraw/zinc/15/87/34/210158734.db2.gz UGLICORMZGJAFD-UHFFFAOYSA-N 0 0 397.434 4.726 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000015422626 210157896 /nfs/dbraw/zinc/15/78/96/210157896.db2.gz RCFGQTWNHOTIKY-GOSISDBHSA-N 0 0 375.255 4.896 50 0 GJAARN Cc1ccc([C@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccc(C)cc2)o1 ZINC000015413531 210157979 /nfs/dbraw/zinc/15/79/79/210157979.db2.gz GBTDRRNZQLYGRP-DEOSSOPVSA-N 0 0 388.467 4.784 50 0 GJAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c(OC)c1 ZINC000015224679 210153469 /nfs/dbraw/zinc/15/34/69/210153469.db2.gz FYZWDURMACDDJS-ZJSXRUAMSA-N 0 0 386.451 4.946 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Br)c1 ZINC000015094173 210152160 /nfs/dbraw/zinc/15/21/60/210152160.db2.gz QNCJYFRATGUJFT-LLVKDONJSA-N 0 0 375.291 4.892 50 0 GJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCc1ccco1 ZINC000014965240 210136094 /nfs/dbraw/zinc/13/60/94/210136094.db2.gz PHALATYYVNJVSZ-LJQANCHMSA-N 0 0 377.488 4.536 50 0 GJAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)Cc1ccccc1C)O2 ZINC000014882029 210129855 /nfs/dbraw/zinc/12/98/55/210129855.db2.gz NILJDKSYLMFNEN-QFIPXVFZSA-N 0 0 399.490 4.527 50 0 GJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000014849309 210128364 /nfs/dbraw/zinc/12/83/64/210128364.db2.gz LJEIAZLVWISXGT-GFCCVEGCSA-N 0 0 396.796 4.889 50 0 GJAARN O=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1c(F)cccc1Cl ZINC000014611036 210123672 /nfs/dbraw/zinc/12/36/72/210123672.db2.gz MGBLPGVYFBVEON-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 ZINC000014636237 210122689 /nfs/dbraw/zinc/12/26/89/210122689.db2.gz IJCIWJVSRQFWHO-DEOSSOPVSA-N 0 0 392.499 4.775 50 0 GJAARN CCCCNc1nnc(SCc2nnc(-c3ccccc3Cl)o2)s1 ZINC000014251868 210114274 /nfs/dbraw/zinc/11/42/74/210114274.db2.gz XYCDJYNTNHSRLE-UHFFFAOYSA-N 0 0 381.914 4.746 50 0 GJAARN CC(=O)Nc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3C)sc2C)cc1 ZINC000014244084 210112534 /nfs/dbraw/zinc/11/25/34/210112534.db2.gz FQXHZKWZEKWQQC-UHFFFAOYSA-N 0 0 393.512 4.875 50 0 GJAARN COc1ccc(-c2nc(CC(=O)N[C@H](C)c3cc(C)ccc3C)cs2)cc1 ZINC000014189597 210108427 /nfs/dbraw/zinc/10/84/27/210108427.db2.gz SBXBZUCTSXPHFV-MRXNPFEDSA-N 0 0 380.513 4.855 50 0 GJAARN CC(=O)Nc1cccc(Oc2nc(CN3CCCC3)nc3sc(C)c(C)c32)c1 ZINC000014142342 210105905 /nfs/dbraw/zinc/10/59/05/210105905.db2.gz UHRAMRKUHFFLGS-UHFFFAOYSA-N 0 0 396.516 4.655 50 0 GJAARN CC(C)c1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[nH]1 ZINC000014016949 210099910 /nfs/dbraw/zinc/09/99/10/210099910.db2.gz WKIAQKNJXFYVSA-ZJUUUORDSA-N 0 0 387.336 4.593 50 0 GJAARN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4cccc(OC)c4)n3)c2c1 ZINC000013736634 210086978 /nfs/dbraw/zinc/08/69/78/210086978.db2.gz JLVNHNVDVMCKAH-UHFFFAOYSA-N 0 0 393.468 4.869 50 0 GJAARN COC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 ZINC000013570389 210068551 /nfs/dbraw/zinc/06/85/51/210068551.db2.gz ZPYQFZBIFKVARZ-UHFFFAOYSA-N 0 0 381.240 4.642 50 0 GJAARN Cc1ccc(C)c(OCc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000013549655 210066932 /nfs/dbraw/zinc/06/69/32/210066932.db2.gz AFKTZYKNTKSYTP-UHFFFAOYSA-N 0 0 397.544 4.889 50 0 GJAARN COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013495019 210064947 /nfs/dbraw/zinc/06/49/47/210064947.db2.gz NQUHPDUNUYKUKK-AWEZNQCLSA-N 0 0 379.460 4.534 50 0 GJAARN CCCC(=O)Nc1ccc(SCc2nc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000013360941 210058812 /nfs/dbraw/zinc/05/88/12/210058812.db2.gz MNUWVQOLJWDVJL-UHFFFAOYSA-N 0 0 381.501 4.571 50 0 GJAARN Cc1cc(Nc2cccc(F)c2)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 ZINC000013364741 210058207 /nfs/dbraw/zinc/05/82/07/210058207.db2.gz PTQLFEFSDSAJNB-UHFFFAOYSA-N 0 0 377.467 4.783 50 0 GJAARN COc1cc2c(cc1NC(=O)Nc1ccc3c(c1)OCO3)oc1ccccc12 ZINC000013323984 210057773 /nfs/dbraw/zinc/05/77/73/210057773.db2.gz HVJJKCCQOJNYRT-UHFFFAOYSA-N 0 0 376.368 4.967 50 0 GJAARN O=C(CCc1ccccc1)Nc1cc(F)c2nc(N3CCCCC3)ccc2c1 ZINC000013357398 210059691 /nfs/dbraw/zinc/05/96/91/210059691.db2.gz BSGMZNXSCNWJPY-UHFFFAOYSA-N 0 0 377.463 4.936 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000013070871 210049227 /nfs/dbraw/zinc/04/92/27/210049227.db2.gz WREPKKPUKKGLJN-UHFFFAOYSA-N 0 0 396.531 4.520 50 0 GJAARN Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc2n1 ZINC000012988276 210042388 /nfs/dbraw/zinc/04/23/88/210042388.db2.gz FDFYUYUDRAZPNO-HSZRJFAPSA-N 0 0 390.483 4.832 50 0 GJAARN O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012971979 210035537 /nfs/dbraw/zinc/03/55/37/210035537.db2.gz JJVOZFMAJQQQMG-GOEBONIOSA-N 0 0 394.610 4.556 50 0 GJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H](C)c1ccccc1 ZINC000012979746 210037183 /nfs/dbraw/zinc/03/71/83/210037183.db2.gz MMGWRSPWNQGFFO-HNNXBMFYSA-N 0 0 397.906 4.509 50 0 GJAARN COc1ccc(C)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000012927229 210031878 /nfs/dbraw/zinc/03/18/78/210031878.db2.gz WFURHOFBLLFGTG-UHFFFAOYSA-N 0 0 382.485 4.529 50 0 GJAARN CSc1ccccc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000012934308 210031901 /nfs/dbraw/zinc/03/19/01/210031901.db2.gz JCWYDATYPXCSGI-UHFFFAOYSA-N 0 0 384.526 4.934 50 0 GJAARN CC(C)[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000012919872 210030493 /nfs/dbraw/zinc/03/04/93/210030493.db2.gz LVRMASJVGDJBHE-HTAPYJJXSA-N 0 0 382.504 4.948 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012908237 210025462 /nfs/dbraw/zinc/02/54/62/210025462.db2.gz WILZJLMDICJMAN-RNXZQOMOSA-N 0 0 382.548 4.861 50 0 GJAARN COc1ccc(CCCN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC ZINC000012888525 210022048 /nfs/dbraw/zinc/02/20/48/210022048.db2.gz 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CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@H](C)c2ccccc2)c1C ZINC000002929644 209398700 /nfs/dbraw/zinc/39/87/00/209398700.db2.gz RJTSCSXTXXPNJB-OAHLLOKOSA-N 0 0 378.447 4.683 50 0 GJAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002937523 209398290 /nfs/dbraw/zinc/39/82/90/209398290.db2.gz QYELFVCAPSVJIX-UHFFFAOYSA-N 0 0 383.300 4.909 50 0 GJAARN Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N(C)c3ccccc3)c12 ZINC000002926831 209397836 /nfs/dbraw/zinc/39/78/36/209397836.db2.gz FICQKFHKTJKWLN-UHFFFAOYSA-N 0 0 380.517 4.830 50 0 GJAARN COC(=O)c1ccccc1NC(=O)Nc1ccc(Br)cc1Cl ZINC000002855550 209391925 /nfs/dbraw/zinc/39/19/25/209391925.db2.gz WGZSXYZGJWQFHP-UHFFFAOYSA-N 0 0 383.629 4.533 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CCCC1 ZINC000002850625 209391225 /nfs/dbraw/zinc/39/12/25/209391225.db2.gz KNISHHWUCHHNLG-CYBMUJFWSA-N 0 0 379.287 5.000 50 0 GJAARN COCCn1c(Cc2ccccc2)nnc1SCc1ccc2ccccc2c1 ZINC000002838338 209389516 /nfs/dbraw/zinc/38/95/16/209389516.db2.gz FEWAZUYIIHFQIA-UHFFFAOYSA-N 0 0 389.524 4.961 50 0 GJAARN CCCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002799125 209387081 /nfs/dbraw/zinc/38/70/81/209387081.db2.gz FFAKSMLEBRZOFX-LBPRGKRZSA-N 0 0 383.439 4.559 50 0 GJAARN CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5cc(C)nn5C)nc4c23)C1 ZINC000002798609 209386628 /nfs/dbraw/zinc/38/66/28/209386628.db2.gz ZYHFTZZNLCYJJC-ZDUSSCGKSA-N 0 0 394.548 4.589 50 0 GJAARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 ZINC000002799615 209385909 /nfs/dbraw/zinc/38/59/09/209385909.db2.gz ZVQPQOYHVXLYDR-CQSZACIVSA-N 0 0 377.517 4.942 50 0 GJAARN CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cccc(C)c3nc21 ZINC000002604032 209371035 /nfs/dbraw/zinc/37/10/35/209371035.db2.gz INFCTMPHICMVJK-UHFFFAOYSA-N 0 0 388.471 4.954 50 0 GJAARN Cc1ccsc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000002622740 209370802 /nfs/dbraw/zinc/37/08/02/209370802.db2.gz VBEOEWJXVHTQPH-UHFFFAOYSA-N 0 0 378.664 4.812 50 0 GJAARN S=C1N=NC(CCCOc2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000002541827 209369459 /nfs/dbraw/zinc/36/94/59/209369459.db2.gz LDODEJBUSOBVJX-UHFFFAOYSA-N 0 0 380.300 4.874 50 0 GJAARN O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)C(=O)c1c[nH]c2ccccc12 ZINC000002503949 209368711 /nfs/dbraw/zinc/36/87/11/209368711.db2.gz UKTXYRSHQXYJAF-UHFFFAOYSA-N 0 0 386.455 4.844 50 0 GJAARN COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H]4CCCCC4=O)ccc23)cc1 ZINC000002438486 209363543 /nfs/dbraw/zinc/36/35/43/209363543.db2.gz SCSSZYHBDINXAY-OAQYLSRUSA-N 0 0 378.424 4.668 50 0 biogenic GJAARN CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002478071 209367133 /nfs/dbraw/zinc/36/71/33/209367133.db2.gz POBXIFYIINKZSR-SFHVURJKSA-N 0 0 388.448 4.562 50 0 GJAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000002467932 209366564 /nfs/dbraw/zinc/36/65/64/209366564.db2.gz YSWFAPOUGKGLEJ-UHFFFAOYSA-N 0 0 397.887 4.993 50 0 GJAARN Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000002469592 209366575 /nfs/dbraw/zinc/36/65/75/209366575.db2.gz VLUIOMLCWRDHCP-HNNXBMFYSA-N 0 0 395.480 4.533 50 0 GJAARN O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002453976 209365598 /nfs/dbraw/zinc/36/55/98/209365598.db2.gz IVSUWVUWWNVRIC-UHFFFAOYSA-N 0 0 394.887 4.503 50 0 GJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1 ZINC000002453407 209365377 /nfs/dbraw/zinc/36/53/77/209365377.db2.gz TVWQPFKLWSDVEV-UHFFFAOYSA-N 0 0 377.872 4.962 50 0 GJAARN CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002461093 209364932 /nfs/dbraw/zinc/36/49/32/209364932.db2.gz WZVWMXXRWAJQMR-UHFFFAOYSA-N 0 0 383.878 4.923 50 0 GJAARN CCCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3ccccc3nc21 ZINC000002429038 209364301 /nfs/dbraw/zinc/36/43/01/209364301.db2.gz ZOAPRMWEEHEMTF-UHFFFAOYSA-N 0 0 388.471 4.574 50 0 GJAARN CC[C@@H](SC1=NCCS1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000002745816 209381627 /nfs/dbraw/zinc/38/16/27/209381627.db2.gz FWFVQYBFBPFQAD-CYBMUJFWSA-N 0 0 377.560 4.672 50 0 GJAARN O=C(CCCSc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 ZINC000002726452 209380082 /nfs/dbraw/zinc/38/00/82/209380082.db2.gz YISDEXSCPYTVPJ-UHFFFAOYSA-N 0 0 397.569 4.517 50 0 GJAARN Cc1ccc(CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)cc1 ZINC000002718019 209380103 /nfs/dbraw/zinc/38/01/03/209380103.db2.gz DRYLHYYEGAZWGZ-UHFFFAOYSA-N 0 0 376.485 4.739 50 0 GJAARN Cc1cccc(CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000002717875 209379920 /nfs/dbraw/zinc/37/99/20/209379920.db2.gz PQGSXMDTVVFBNR-UHFFFAOYSA-N 0 0 382.876 4.775 50 0 GJAARN COc1ccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc32)cc1 ZINC000002698914 209378360 /nfs/dbraw/zinc/37/83/60/209378360.db2.gz ATIHTZKGTIYKDM-UHFFFAOYSA-N 0 0 399.429 4.704 50 0 GJAARN Oc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)ccc2O3)c1 ZINC000002693347 209378254 /nfs/dbraw/zinc/37/82/54/209378254.db2.gz CRXRAFGQOBLBQV-UHFFFAOYSA-N 0 0 387.258 4.597 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1csc3c1CC[C@@H](C)C3)CCCC2 ZINC000002708149 209378023 /nfs/dbraw/zinc/37/80/23/209378023.db2.gz RCYMLHHKBWXGKI-LLVKDONJSA-N 0 0 389.542 4.852 50 0 GJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O ZINC000002704579 209377697 /nfs/dbraw/zinc/37/76/97/209377697.db2.gz JRLKPTPAJNDQLK-QFIPXVFZSA-N 0 0 397.430 4.552 50 0 GJAARN O=C(CCc1nc2ccccc2s1)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000002660650 209376446 /nfs/dbraw/zinc/37/64/46/209376446.db2.gz ZUGPDDVSUXEKLI-UHFFFAOYSA-N 0 0 399.859 4.676 50 0 GJAARN Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 ZINC000002640309 209374293 /nfs/dbraw/zinc/37/42/93/209374293.db2.gz CZLMDOCSKSYWMF-UHFFFAOYSA-N 0 0 386.480 4.613 50 0 GJAARN CN(Cc1c(F)cccc1Cl)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000002628418 209372394 /nfs/dbraw/zinc/37/23/94/209372394.db2.gz ORKBEDJZPIFANR-LLVKDONJSA-N 0 0 392.685 4.658 50 0 GJAARN Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1F)nn3CC(C)C ZINC000002431349 209363821 /nfs/dbraw/zinc/36/38/21/209363821.db2.gz UHYQUICQOBILTI-UHFFFAOYSA-N 0 0 376.435 4.940 50 0 GJAARN CC(C)c1nc2oc3c(ncnc3NCc3ccco3)c2c2c1COC(C)(C)C2 ZINC000002438686 209363354 /nfs/dbraw/zinc/36/33/54/209363354.db2.gz GKGWJIPZHOKHMK-UHFFFAOYSA-N 0 0 392.459 4.951 50 0 GJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@](O)(c1ccccc1)C1CCCC1 ZINC000002417416 209362964 /nfs/dbraw/zinc/36/29/64/209362964.db2.gz RSDVNCBWVJXYCX-SANMLTNESA-N 0 0 385.507 4.970 50 0 GJAARN Cc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)cc1 ZINC000002410817 209362401 /nfs/dbraw/zinc/36/24/01/209362401.db2.gz XFJHGSIAPXBLSX-UHFFFAOYSA-N 0 0 395.253 4.745 50 0 GJAARN Cn1c(=O)c2c3c(sc2nc1SCc1cccc(Cl)c1)CCCC3 ZINC000002382111 209359678 /nfs/dbraw/zinc/35/96/78/209359678.db2.gz FFRFVETTZDVGEQ-UHFFFAOYSA-N 0 0 376.934 4.820 50 0 GJAARN CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000002351721 209358496 /nfs/dbraw/zinc/35/84/96/209358496.db2.gz PIKNGVJZUILGDT-MZNJEOGPSA-N 0 0 388.231 4.690 50 0 GJAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000002333822 209357680 /nfs/dbraw/zinc/35/76/80/209357680.db2.gz JTDZXPJRLNUISW-OAQYLSRUSA-N 0 0 382.419 4.555 50 0 GJAARN Cc1ccc(CN2c3ccccc3[C@@](O)(c3c[nH]c4ccccc43)C2=O)c(C)c1 ZINC000002327053 209357289 /nfs/dbraw/zinc/35/72/89/209357289.db2.gz RXUCURWJSKFVCH-RUZDIDTESA-N 0 0 382.463 4.567 50 0 GJAARN O=c1c2cc3c(nc2nc(SCc2ccccc2)n1-c1ccccc1)CCCC3 ZINC000002287590 209355092 /nfs/dbraw/zinc/35/50/92/209355092.db2.gz RWKQHGSNGRRTBK-UHFFFAOYSA-N 0 0 399.519 4.952 50 0 GJAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000002256079 209352799 /nfs/dbraw/zinc/35/27/99/209352799.db2.gz SGSMWVCYVASRLN-ZEQRLZLVSA-N 0 0 392.462 4.799 50 0 GJAARN COc1ccc(-c2c(NC(=O)c3ccccc3C)n(C)c3ccccc3c2=O)cc1 ZINC000002197317 209350321 /nfs/dbraw/zinc/35/03/21/209350321.db2.gz OTSBCNIDPGSQPE-UHFFFAOYSA-N 0 0 398.462 4.775 50 0 GJAARN COc1ccc2c(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c[nH]c2c1 ZINC000002201070 209350040 /nfs/dbraw/zinc/35/00/40/209350040.db2.gz RGRCHGDNVHBNOU-UHFFFAOYSA-N 0 0 378.259 4.848 50 0 GJAARN CCc1ccc(-c2nc3c4cnn(-c5cc(Cl)ccc5C)c4ncn3n2)cc1 ZINC000002204456 209349814 /nfs/dbraw/zinc/34/98/14/209349814.db2.gz VFJUNABAMQTVOO-UHFFFAOYSA-N 0 0 388.862 4.654 50 0 GJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2 ZINC000002089581 209346507 /nfs/dbraw/zinc/34/65/07/209346507.db2.gz KHRDUFYTQHZUFG-INIZCTEOSA-N 0 0 387.501 4.598 50 0 GJAARN CCCCCCOc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 ZINC000002024544 209343465 /nfs/dbraw/zinc/34/34/65/209343465.db2.gz FULRLOSLROAEQL-UHFFFAOYSA-N 0 0 384.476 4.858 50 0 GJAARN O=C1OC(c2cccc3ccccc32)=N/C1=C/c1ccc(Br)cc1 ZINC000001511378 209332082 /nfs/dbraw/zinc/33/20/82/209332082.db2.gz IHEJKUYIMLCADY-LDADJPATSA-N 0 0 378.225 4.947 50 0 GJAARN CCOC(=O)[C@H](C(=O)C(F)(F)F)C1c2ccccc2Sc2ccccc21 ZINC000001890848 209340984 /nfs/dbraw/zinc/34/09/84/209340984.db2.gz DJWMQPPXGBEJKS-INIZCTEOSA-N 0 0 380.387 4.594 50 0 GJAARN CCOC(=O)C(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)OCC ZINC000001751367 209338858 /nfs/dbraw/zinc/33/88/58/209338858.db2.gz UGKMXUXTHAIMGX-UHFFFAOYSA-N 0 0 383.227 4.763 50 0 GJAARN Cc1cc(-c2ccc(Br)cc2)oc(=O)c1NC(=O)c1ccccc1 ZINC000001398213 209327004 /nfs/dbraw/zinc/32/70/04/209327004.db2.gz SHXFJVLGULJDBL-UHFFFAOYSA-N 0 0 384.229 4.630 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001413858 209326397 /nfs/dbraw/zinc/32/63/97/209326397.db2.gz USHCINBWQOUWOE-UHFFFAOYSA-N 0 0 379.803 4.561 50 0 GJAARN NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 ZINC000001401090 209326268 /nfs/dbraw/zinc/32/62/68/209326268.db2.gz ZUBVWWQYGHUYKT-KRWDZBQOSA-N 0 0 390.295 4.552 50 0 GJAARN CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000001389667 209325464 /nfs/dbraw/zinc/32/54/64/209325464.db2.gz INLBCHFPKWEPII-UHFFFAOYSA-N 0 0 380.662 4.859 50 0 GJAARN Cc1ccc(C(=O)Nc2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000001396494 209325120 /nfs/dbraw/zinc/32/51/20/209325120.db2.gz UVOBIVKGBVSBNC-UHFFFAOYSA-N 0 0 387.266 4.764 50 0 GJAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000010253666 209324513 /nfs/dbraw/zinc/32/45/13/209324513.db2.gz FNJRBXFVQHALFB-UHFFFAOYSA-N 0 0 395.480 4.913 50 0 GJAARN Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 ZINC000010109474 209321697 /nfs/dbraw/zinc/32/16/97/209321697.db2.gz FHOMUKPODCQVGO-OAHLLOKOSA-N 0 0 386.542 4.775 50 0 GJAARN COc1ccc(OC)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 ZINC000001312053 209319578 /nfs/dbraw/zinc/31/95/78/209319578.db2.gz AFFLKDJJUIMCQS-QPJJXVBHSA-N 0 0 382.243 4.671 50 0 GJAARN CC(C)c1nc2sc3c(ncnc3NC[C@H]3CCCO3)c2c2c1CCCC2 ZINC000001258123 209317988 /nfs/dbraw/zinc/31/79/88/209317988.db2.gz DIULBFYJCHGGJY-CYBMUJFWSA-N 0 0 382.533 4.833 50 0 GJAARN Cc1cc(C)c(C2=NON3N(C(=O)c4cccs4)c4ccccc4N23)c(C)c1 ZINC000001510251 209331175 /nfs/dbraw/zinc/33/11/75/209331175.db2.gz QJATXPXGSDYLTK-UHFFFAOYSA-N 0 0 390.468 4.579 50 0 GJAARN O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 ZINC000001452879 209329645 /nfs/dbraw/zinc/32/96/45/209329645.db2.gz FSNJGYHCHFUMQJ-UHFFFAOYSA-N 0 0 389.886 4.711 50 0 aggregator GJAARN COc1ccc(C(=O)N[C@H](Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001446724 209328676 /nfs/dbraw/zinc/32/86/76/209328676.db2.gz LXLHFQLZVAWUGZ-INIZCTEOSA-N 0 0 387.694 4.542 50 0 biogenic GJAARN CCCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000001444406 209327564 /nfs/dbraw/zinc/32/75/64/209327564.db2.gz HFFVPWOBVWRQPJ-UHFFFAOYSA-N 0 0 390.314 4.850 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1Cl ZINC000001210721 209314696 /nfs/dbraw/zinc/31/46/96/209314696.db2.gz DJJRDYPSZPODNS-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Br)o1 ZINC000001210373 209314574 /nfs/dbraw/zinc/31/45/74/209314574.db2.gz OAOMRVOPOQYYMV-UHFFFAOYSA-N 0 0 382.217 4.838 50 0 GJAARN COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(-c4ccccc4)cc3)C[C@@H]21 ZINC000001202561 209313612 /nfs/dbraw/zinc/31/36/12/209313612.db2.gz LASWRNMHUGGQMD-FQEVSTJZSA-N 0 0 384.435 4.676 50 0 GJAARN O=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000001205663 209313321 /nfs/dbraw/zinc/31/33/21/209313321.db2.gz ZTMOUYNUOHXXME-UHFFFAOYSA-N 0 0 389.263 4.841 50 0 GJAARN O=C1OC(c2cccs2)=N/C1=C\c1ccccc1OCc1ccccc1F ZINC000001192382 209311600 /nfs/dbraw/zinc/31/16/00/209311600.db2.gz 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209302685 /nfs/dbraw/zinc/30/26/85/209302685.db2.gz OJNFLQLLCMPOGQ-UHFFFAOYSA-N 0 0 391.452 4.655 50 0 GJAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1Cl ZINC000001115580 209302048 /nfs/dbraw/zinc/30/20/48/209302048.db2.gz OWPCQJUIEQRQEO-SNVBAGLBSA-N 0 0 384.657 4.517 50 0 GJAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccs1 ZINC000001093084 209299215 /nfs/dbraw/zinc/29/92/15/209299215.db2.gz BVSUXXFEEPVCAL-UHFFFAOYSA-N 0 0 397.456 4.822 50 0 GJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2ccco2)c1 ZINC000001111943 209300535 /nfs/dbraw/zinc/30/05/35/209300535.db2.gz DCIDBEUHALKCFH-AWEZNQCLSA-N 0 0 398.846 4.900 50 0 GJAARN COc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC ZINC000001088485 209299975 /nfs/dbraw/zinc/29/99/75/209299975.db2.gz YFJXCVIHRUEJMI-UHFFFAOYSA-N 0 0 375.424 4.536 50 0 GJAARN O=C(c1cc2cc(Br)ccc2o1)N1CCc2c([nH]c3ccccc32)C1 ZINC000001084292 209298088 /nfs/dbraw/zinc/29/80/88/209298088.db2.gz IWFLOYYMFWLCPM-UHFFFAOYSA-N 0 0 395.256 4.875 50 0 GJAARN O=C(CSc1nc2ccc(C(F)(F)F)cc2s1)Nc1nccs1 ZINC000001084477 209297767 /nfs/dbraw/zinc/29/77/67/209297767.db2.gz RRSMTHLKTWYFNG-UHFFFAOYSA-N 0 0 375.422 4.502 50 0 GJAARN O=C(C[C@H](C(=O)c1cccnc1)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000001043113 209292721 /nfs/dbraw/zinc/29/27/21/209292721.db2.gz ILGMEKCGEDYXCO-SFHVURJKSA-N 0 0 393.826 4.703 50 0 GJAARN CCCc1cc(C(N)=O)c(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000001056433 209293596 /nfs/dbraw/zinc/29/35/96/209293596.db2.gz CVJPJBHWLRBYRB-UHFFFAOYSA-N 0 0 378.906 4.920 50 0 GJAARN O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc2c(c1)OCO2 ZINC000001034190 209291735 /nfs/dbraw/zinc/29/17/35/209291735.db2.gz RYKICDRIZXRCAS-UHFFFAOYSA-N 0 0 381.240 4.573 50 0 GJAARN Cc1ccccc1C(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000001036955 209291433 /nfs/dbraw/zinc/29/14/33/209291433.db2.gz USNBABGVHZBHAN-UHFFFAOYSA-N 0 0 376.300 4.658 50 0 GJAARN O=C1OC(c2ccccc2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000001036630 209291474 /nfs/dbraw/zinc/29/14/74/209291474.db2.gz LPIXXUAZZGTGMD-XMHGGMMESA-N 0 0 397.459 4.945 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1c2ccccc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000001024663 209290314 /nfs/dbraw/zinc/29/03/14/209290314.db2.gz GFMQVJOEFYJKHD-OAQYLSRUSA-N 0 0 379.799 4.807 50 0 GJAARN CN(C)c1ccc(-n2nnnc2SC(c2ccccc2)c2ccccc2)cc1 ZINC000001028920 209290335 /nfs/dbraw/zinc/29/03/35/209290335.db2.gz MTQALCAPGCDWRL-UHFFFAOYSA-N 0 0 387.512 4.610 50 0 GJAARN CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000001025381 209290268 /nfs/dbraw/zinc/29/02/68/209290268.db2.gz SAUIKQUJKUCXCB-OAHLLOKOSA-N 0 0 395.406 4.971 50 0 GJAARN CCc1ccccc1/N=C1\S/C(=C\c2cc(OC)ccc2OC)C(=O)N1CC ZINC000001015405 209289030 /nfs/dbraw/zinc/28/90/30/209289030.db2.gz PDCCCUSGCZTMKO-DJOYVXLESA-N 0 0 396.512 4.890 50 0 GJAARN CCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1 ZINC000000997673 209287928 /nfs/dbraw/zinc/28/79/28/209287928.db2.gz PLEUGBFTSPBXLO-UHFFFAOYSA-N 0 0 388.514 4.825 50 0 GJAARN COc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3C)cc2)cc1 ZINC000000992994 209286596 /nfs/dbraw/zinc/28/65/96/209286596.db2.gz VYJIGXXAWSNKGB-QGZVFWFLSA-N 0 0 389.451 4.906 50 0 GJAARN CC(C)Cc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000001000199 209287373 /nfs/dbraw/zinc/28/73/73/209287373.db2.gz FQIUKJDZZYWXQO-ZHACJKMWSA-N 0 0 382.935 4.901 50 0 GJAARN COC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCCC2 ZINC000000982949 209286681 /nfs/dbraw/zinc/28/66/81/209286681.db2.gz LSUREFYESQUKQB-CYBMUJFWSA-N 0 0 389.542 4.674 50 0 GJAARN COc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3C)cc2)cc1 ZINC000000992993 209286356 /nfs/dbraw/zinc/28/63/56/209286356.db2.gz VYJIGXXAWSNKGB-KRWDZBQOSA-N 0 0 389.451 4.906 50 0 GJAARN COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O ZINC000000974914 209285429 /nfs/dbraw/zinc/28/54/29/209285429.db2.gz TUYVMDVJPHNIEL-UNOMPAQXSA-N 0 0 382.485 4.925 50 0 GJAARN CCOc1ccc(/C=C/C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC ZINC000000951507 209283376 /nfs/dbraw/zinc/28/33/76/209283376.db2.gz KGYVHVSONKXCEN-VQHVLOKHSA-N 0 0 375.852 4.716 50 0 GJAARN C[C@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 ZINC000000951870 209283274 /nfs/dbraw/zinc/28/32/74/209283274.db2.gz IJDDBUKNLOHKCU-JTQLQIEISA-N 0 0 379.312 4.938 50 0 GJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000000937143 209280946 /nfs/dbraw/zinc/28/09/46/209280946.db2.gz WTGHUJYJJDQAFT-XCVCLJGOSA-N 0 0 383.616 4.597 50 0 GJAARN Cc1cc(C)cc(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)c1 ZINC000000942590 209280233 /nfs/dbraw/zinc/28/02/33/209280233.db2.gz JMZBFYMITBQZFM-UHFFFAOYSA-N 0 0 382.412 4.533 50 0 GJAARN CC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000000915658 209278887 /nfs/dbraw/zinc/27/88/87/209278887.db2.gz ZQGNEOAQFLEKOW-QHCPKHFHSA-N 0 0 387.479 4.986 50 0 GJAARN CCCOc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000009521285 209276312 /nfs/dbraw/zinc/27/63/12/209276312.db2.gz XUTMOZBVWSAMTB-UHFFFAOYSA-N 0 0 396.468 4.509 50 0 GJAARN CCn1c2ccccc2nc1[C@@H](O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000860982 209273440 /nfs/dbraw/zinc/27/34/40/209273440.db2.gz ATEKTYMXBNZHIN-QHCPKHFHSA-N 0 0 388.467 4.726 50 0 GJAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000000855411 209273266 /nfs/dbraw/zinc/27/32/66/209273266.db2.gz LMNYLAXIAQFHOQ-UHFFFAOYSA-N 0 0 375.465 4.615 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000843791 209272104 /nfs/dbraw/zinc/27/21/04/209272104.db2.gz KHTNDSSAHWDSJF-SNVBAGLBSA-N 0 0 383.662 4.638 50 0 GJAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1 ZINC000000807936 209268524 /nfs/dbraw/zinc/26/85/24/209268524.db2.gz UDITUNXJOHXHSQ-UHFFFAOYSA-N 0 0 390.464 4.581 50 0 GJAARN CC(C)CCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000000797340 209266600 /nfs/dbraw/zinc/26/66/00/209266600.db2.gz RVRXNSKYGWQCSL-UHFFFAOYSA-N 0 0 387.435 4.843 50 0 GJAARN CCn1c(CNc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1 ZINC000000786938 209265639 /nfs/dbraw/zinc/26/56/39/209265639.db2.gz BFHIFYDZQNWVOY-UHFFFAOYSA-N 0 0 388.924 4.864 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000000786361 209265183 /nfs/dbraw/zinc/26/51/83/209265183.db2.gz UYXGHMPRWWMUID-DEOSSOPVSA-N 0 0 394.474 4.820 50 0 in-vitro GJAARN O=C(COc1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl ZINC000000752477 209263275 /nfs/dbraw/zinc/26/32/75/209263275.db2.gz NPNAUHVCVVNSDI-UHFFFAOYSA-N 0 0 375.049 4.773 50 0 GJAARN Cc1sc2ncnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1C ZINC000000710223 209262136 /nfs/dbraw/zinc/26/21/36/209262136.db2.gz ULUTXPBTYUMGKO-UHFFFAOYSA-N 0 0 393.343 4.942 50 0 GJAARN COC(=O)c1c(NC(=O)COc2ccc(C)cc2)sc2c1CCCCCC2 ZINC000000695903 209260817 /nfs/dbraw/zinc/26/08/17/209260817.db2.gz NVQMKBFNTPPLKT-UHFFFAOYSA-N 0 0 387.501 4.520 50 0 GJAARN CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000000706909 209260846 /nfs/dbraw/zinc/26/08/46/209260846.db2.gz ZHJBDCUJAICGEN-UHFFFAOYSA-N 0 0 375.255 4.647 50 0 GJAARN Cc1cc2sc(NC(=O)c3cncc(Br)c3)nc2cc1Cl ZINC000000679639 209259539 /nfs/dbraw/zinc/25/95/39/209259539.db2.gz GMQDACAMRKXGHF-UHFFFAOYSA-N 0 0 382.670 4.668 50 0 GJAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccs1 ZINC000000684652 209258976 /nfs/dbraw/zinc/25/89/76/209258976.db2.gz VJTATNOPIPTWQF-GOSISDBHSA-N 0 0 398.513 4.546 50 0 GJAARN Cc1c(NC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000682914 209259030 /nfs/dbraw/zinc/25/90/30/209259030.db2.gz LHXQNAYGBRRWBE-UHFFFAOYSA-N 0 0 399.450 4.529 50 0 GJAARN COc1ccc(C(=O)Oc2ccc3c(Br)cccc3c2)cc1OC ZINC000000683097 209258898 /nfs/dbraw/zinc/25/88/98/209258898.db2.gz YLDGLMAHTWUKAU-UHFFFAOYSA-N 0 0 387.229 4.839 50 0 GJAARN CCOc1cc(C(=O)Nc2cccc3ncccc32)cc(OCC)c1OCC ZINC000000680138 209258900 /nfs/dbraw/zinc/25/89/00/209258900.db2.gz CPWVLUQCXGYNII-UHFFFAOYSA-N 0 0 380.444 4.683 50 0 GJAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2C)n1-c1cccc(C)c1 ZINC000000664299 209256862 /nfs/dbraw/zinc/25/68/62/209256862.db2.gz JJKFFQQHMWBIIY-UHFFFAOYSA-N 0 0 386.908 4.577 50 0 GJAARN CCOc1nc2ccccc2n2c(-c3cc4cccc(C)c4nc3OCC)nnc12 ZINC000000659047 209256896 /nfs/dbraw/zinc/25/68/96/209256896.db2.gz SCHIKKAICISNCC-UHFFFAOYSA-N 0 0 399.454 4.599 50 0 GJAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1 ZINC000000676568 209257996 /nfs/dbraw/zinc/25/79/96/209257996.db2.gz MKQZAXPGTPPSLY-UHFFFAOYSA-N 0 0 388.496 4.849 50 0 GJAARN CC(C)OC(=O)c1c(NC(=O)c2cc(F)cc(F)c2)sc2c1CCCC2 ZINC000000672918 209257691 /nfs/dbraw/zinc/25/76/91/209257691.db2.gz NRXNVNSOVHWVFW-UHFFFAOYSA-N 0 0 379.428 4.723 50 0 GJAARN COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2 ZINC000000672726 209257539 /nfs/dbraw/zinc/25/75/39/209257539.db2.gz IMBHSPNBCJMAOM-SJORKVTESA-N 0 0 383.513 4.936 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4F)c(N)c3cc2C1 ZINC000000661896 209256787 /nfs/dbraw/zinc/25/67/87/209256787.db2.gz TXAOPKKJWXVUPK-JTQLQIEISA-N 0 0 387.455 4.924 50 0 GJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000000666437 209256595 /nfs/dbraw/zinc/25/65/95/209256595.db2.gz JQQGLZNVRFWXNK-NRFANRHFSA-N 0 0 384.435 4.715 50 0 GJAARN COc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000000640657 209254446 /nfs/dbraw/zinc/25/44/46/209254446.db2.gz AQYJXZZUKZJZDR-UHFFFAOYSA-N 0 0 376.412 4.579 50 0 GJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(C(=O)OC)c1 ZINC000000645420 209253951 /nfs/dbraw/zinc/25/39/51/209253951.db2.gz NVGBJKOWBJNXOD-UHFFFAOYSA-N 0 0 378.428 4.559 50 0 GJAARN Cc1cc(C)n(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)n1 ZINC000000626759 209251896 /nfs/dbraw/zinc/25/18/96/209251896.db2.gz KBLGWOIMDAGJFS-INIZCTEOSA-N 0 0 388.298 4.976 50 0 GJAARN O=S(=O)(c1ccc2c(c1)-c1ccccc1C2)N1CCS[C@@H]1c1ccccc1 ZINC000000629888 209251461 /nfs/dbraw/zinc/25/14/61/209251461.db2.gz WZJLZGKZNABKIE-JOCHJYFZSA-N 0 0 393.533 4.694 50 0 GJAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccc(F)cc3)ccc1O2 ZINC000009135099 209250791 /nfs/dbraw/zinc/25/07/91/209250791.db2.gz XHQYZDHZJRRCIV-UHFFFAOYSA-N 0 0 392.386 4.510 50 0 GJAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000009164701 209248601 /nfs/dbraw/zinc/24/86/01/209248601.db2.gz KICBXYMKXDDXTG-UHFFFAOYSA-N 0 0 394.515 4.592 50 0 GJAARN Cc1c(C(=O)N(c2ccccn2)C2CCCC2)cnn1-c1cccc(Cl)c1 ZINC000154537792 209246798 /nfs/dbraw/zinc/24/67/98/209246798.db2.gz CLLYFYVSMLHHPC-UHFFFAOYSA-N 0 0 380.879 4.819 50 0 GJAARN O=C1S/C(=C/c2cccs2)C(=O)N1Cc1csc(-c2ccccn2)n1 ZINC000096941424 209242262 /nfs/dbraw/zinc/24/22/62/209242262.db2.gz BOCUNIVZWHMUFP-RIYZIHGNSA-N 0 0 385.495 4.503 50 0 GJAARN O=C(/C=C\c1c(F)cccc1F)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000096179372 209239508 /nfs/dbraw/zinc/23/95/08/209239508.db2.gz HLPAAPUKWIVNBO-QXMHVHEDSA-N 0 0 379.410 4.817 50 0 GJAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)N(C)C)cc43)oc21 ZINC000004586177 209230819 /nfs/dbraw/zinc/23/08/19/209230819.db2.gz PPXJEMMZCFLQCI-UHFFFAOYSA-N 0 0 393.395 4.584 50 0 biogenic GJAARN COc1ccc(-c2c(C)c3ccc(OC(=O)C(C)(C)C)cc3oc2=O)cc1OC ZINC000004340135 209231483 /nfs/dbraw/zinc/23/14/83/209231483.db2.gz KOXSBCCEIOAMMH-UHFFFAOYSA-N 0 0 396.439 4.737 50 0 biogenic GJAARN Cc1oc2cc(OCC(=O)OC(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000002425856 209230127 /nfs/dbraw/zinc/23/01/27/209230127.db2.gz OFJJDBATAPJBRR-UHFFFAOYSA-N 0 0 386.831 4.752 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)c1 ZINC000001020381 209227608 /nfs/dbraw/zinc/22/76/08/209227608.db2.gz MAMCMNZFJJCLMK-LOSJGSFVSA-N 0 0 399.494 4.800 50 0 biogenic GJAARN COc1ccc(-c2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 ZINC000001448169 209227298 /nfs/dbraw/zinc/22/72/98/209227298.db2.gz HSPMQNZGMWLJBG-UHFFFAOYSA-N 0 0 390.366 4.827 50 0 GJAARN CCOC(=O)c1c(C)oc2ccc(O[C@H](C(=O)OCC)c3ccccc3)cc21 ZINC000001155756 209227018 /nfs/dbraw/zinc/22/70/18/209227018.db2.gz AFMSVNRTDPELSQ-FQEVSTJZSA-N 0 0 382.412 4.601 50 0 GJAARN O=C(c1cc2ccccc2s1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000244975244 209214522 /nfs/dbraw/zinc/21/45/22/209214522.db2.gz IHSIKKQYENFDLB-CYBMUJFWSA-N 0 0 381.482 4.643 50 0 GJAARN CC(C)(C)c1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000054105885 209212337 /nfs/dbraw/zinc/21/23/37/209212337.db2.gz SKHYZMYQXHNGAY-UHFFFAOYSA-N 0 0 394.490 4.552 50 0 GJAARN CCN(CC)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 ZINC000098064837 212076498 /nfs/dbraw/zinc/07/64/98/212076498.db2.gz WNDUWSRJEFDFKT-OUKQBFOZSA-N 0 0 378.925 4.907 50 0 GJAARN CC[C@@H](Sc1nncn1C)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000001024548 212061531 /nfs/dbraw/zinc/06/15/31/212061531.db2.gz XXBARXMDOUMCFO-OAHLLOKOSA-N 0 0 382.514 4.515 50 0 GJAARN COc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 ZINC000001405053 212061277 /nfs/dbraw/zinc/06/12/77/212061277.db2.gz JKIRCCFXQDXJLZ-UHFFFAOYSA-N 0 0 390.468 4.548 50 0 GJAARN COc1ccc(C(=O)[C@@H](OC(=O)c2ccc(N(C)C)cc2)c2ccccc2)cc1 ZINC000001121552 212060927 /nfs/dbraw/zinc/06/09/27/212060927.db2.gz MXJNZCSGBAYMIB-QHCPKHFHSA-N 0 0 389.451 4.542 50 0 GJAARN COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC=O)n2)cc1 ZINC000001405081 212060266 /nfs/dbraw/zinc/06/02/66/212060266.db2.gz SKDBJQDPYYBSDQ-UHFFFAOYSA-N 0 0 390.468 4.548 50 0 GJAARN CSc1ccc(-c2cccc(C(=O)N(C)CCCc3nccn3C)c2)cc1 ZINC000299764753 212033348 /nfs/dbraw/zinc/03/33/48/212033348.db2.gz KXYPDDAKHZDUTB-UHFFFAOYSA-N 0 0 379.529 4.514 50 0 GJAARN FC(F)Oc1cc(OC(F)(F)F)cc(Br)c1Br ZINC000263624428 212031888 /nfs/dbraw/zinc/03/18/88/212031888.db2.gz QJEWGPFUDXVCRR-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000000634064 203842683 /nfs/dbraw/zinc/84/26/83/203842683.db2.gz OUHRMABICFZRKO-UHFFFAOYSA-N 0 0 382.843 4.895 50 0 GJAARN COc1cccc(C(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2N)c1 ZINC000000664164 203846977 /nfs/dbraw/zinc/84/69/77/203846977.db2.gz KRJYEHUHNLDRQL-UHFFFAOYSA-N 0 0 377.828 4.501 50 0 GJAARN COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O ZINC000001124430 203822000 /nfs/dbraw/zinc/82/20/00/203822000.db2.gz QHUZKFSODAIFHR-UHFFFAOYSA-N 0 0 392.363 4.715 50 0 biogenic GJAARN O=C(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000000704927 203849164 /nfs/dbraw/zinc/84/91/64/203849164.db2.gz GCLJPKLHDJYKDA-DEOSSOPVSA-N 0 0 396.446 4.685 50 0 GJAARN CCc1ccccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000000780833 203852128 /nfs/dbraw/zinc/85/21/28/203852128.db2.gz XBNTXULRBSRZLV-MRXNPFEDSA-N 0 0 394.418 4.709 50 0 GJAARN c1ccc(CSc2nnc3c(n2)O[C@H](c2cccnc2)Nc2ccccc2-3)cc1 ZINC000000795588 203853213 /nfs/dbraw/zinc/85/32/13/203853213.db2.gz ANDJTOAKLHGVET-HXUWFJFHSA-N 0 0 399.479 4.729 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1OC ZINC000000848945 203859939 /nfs/dbraw/zinc/85/99/39/203859939.db2.gz JWCVFXXWAHKVHX-UHFFFAOYSA-N 0 0 392.386 4.903 50 0 GJAARN COc1ccc(OC)c(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c1 ZINC000000945316 203866325 /nfs/dbraw/zinc/86/63/25/203866325.db2.gz HUKLRAAFODKKJB-UHFFFAOYSA-N 0 0 377.440 4.697 50 0 GJAARN Cc1nc2c3cc4c(nc3sc2c(OCc2ccccc2)n1)CC(C)(C)OC4 ZINC000000987287 203869892 /nfs/dbraw/zinc/86/98/92/203869892.db2.gz FTVUNPXZBQPQSZ-UHFFFAOYSA-N 0 0 391.496 4.978 50 0 GJAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 ZINC000001026250 203873991 /nfs/dbraw/zinc/87/39/91/203873991.db2.gz DYSJNONFTZRQIX-UHFFFAOYSA-N 0 0 381.379 4.646 50 0 GJAARN S=C1N=C(c2ccc(Br)cc2)C[C@H](c2ccccc2Cl)N1 ZINC000001066732 203879967 /nfs/dbraw/zinc/87/99/67/203879967.db2.gz CLNWVZAPNRSPKR-OAHLLOKOSA-N 0 0 379.710 4.662 50 0 GJAARN CCOc1ccccc1NC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 ZINC000001069236 203880028 /nfs/dbraw/zinc/88/00/28/203880028.db2.gz JCMFIGMGKDFFCX-UHFFFAOYSA-N 0 0 383.879 4.853 50 0 GJAARN COc1ccc(-c2csc(N3CCC[C@H]3C(=O)OCc3ccccc3)n2)cc1 ZINC000001102651 203882825 /nfs/dbraw/zinc/88/28/25/203882825.db2.gz FMAKBFIGCKNFAX-FQEVSTJZSA-N 0 0 394.496 4.531 50 0 GJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000001124143 203886128 /nfs/dbraw/zinc/88/61/28/203886128.db2.gz BSZSGNOTFBKKDP-UHFFFAOYSA-N 0 0 394.544 4.819 50 0 GJAARN NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 ZINC000001401091 203906753 /nfs/dbraw/zinc/90/67/53/203906753.db2.gz ZUBVWWQYGHUYKT-QGZVFWFLSA-N 0 0 390.295 4.552 50 0 GJAARN O=C1O[C@H](c2ccccc2)[C@@](O)(c2ccccc2)N1CCc1ccc(Cl)cc1 ZINC000001422995 203907465 /nfs/dbraw/zinc/90/74/65/203907465.db2.gz COONSQWVSRRGCK-GGAORHGYSA-N 0 0 393.870 4.921 50 0 GJAARN CCN(CC)c1nc(Nc2ccc(OC)cc2)nc(Nc2cc(C)ccc2C)n1 ZINC000001446334 203910005 /nfs/dbraw/zinc/91/00/05/203910005.db2.gz RFFYVMHJWRUSDY-UHFFFAOYSA-N 0 0 392.507 4.830 50 0 GJAARN c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000001456148 203910559 /nfs/dbraw/zinc/91/05/59/203910559.db2.gz GIBUNHKOEORXDJ-UHFFFAOYSA-N 0 0 394.482 4.922 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CCCOc1cccc(C)c1 ZINC000001773771 203919364 /nfs/dbraw/zinc/91/93/64/203919364.db2.gz BGVZELQNASXVHI-UHFFFAOYSA-N 0 0 375.490 4.648 50 0 GJAARN CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O ZINC000002079004 203925915 /nfs/dbraw/zinc/92/59/15/203925915.db2.gz FXXQGANJPGTYLR-UHFFFAOYSA-N 0 0 395.455 4.623 50 0 GJAARN Cc1ccc(S(=O)(=O)Oc2ccc3cc(Br)ccc3c2)cc1 ZINC000002069550 203926821 /nfs/dbraw/zinc/92/68/21/203926821.db2.gz IEYWRKGKDIVORU-UHFFFAOYSA-N 0 0 377.259 4.678 50 0 GJAARN CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000002358100 203938998 /nfs/dbraw/zinc/93/89/98/203938998.db2.gz GEVDZUJGTLWDTI-HNNXBMFYSA-N 0 0 390.306 4.835 50 0 GJAARN COc1ccc2cc(OCc3nc4c5c(C)c(C)sc5ncn4n3)ccc2c1 ZINC000002789756 203962781 /nfs/dbraw/zinc/96/27/81/203962781.db2.gz GUTFLBWHBNRCHE-UHFFFAOYSA-N 0 0 390.468 4.697 50 0 GJAARN CCc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000002900779 203972132 /nfs/dbraw/zinc/97/21/32/203972132.db2.gz INZFHXIKYAEFAR-UHFFFAOYSA-N 0 0 378.497 4.713 50 0 GJAARN CN(C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)C1CCCCC1 ZINC000002937776 203974962 /nfs/dbraw/zinc/97/49/62/203974962.db2.gz PDMVDKFCKSRXJW-UHFFFAOYSA-N 0 0 396.437 4.674 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1ccccc1 ZINC000002970165 203977969 /nfs/dbraw/zinc/97/79/69/203977969.db2.gz YTCCSVPIJMVOPF-UHFFFAOYSA-N 0 0 376.456 4.876 50 0 GJAARN COC(=O)c1cnn2c(NC3CCC(C)CC3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000003038535 203982656 /nfs/dbraw/zinc/98/26/56/203982656.db2.gz OTOVRSQHSBRYAE-UHFFFAOYSA-N 0 0 386.883 4.760 50 0 GJAARN O=C(N[C@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000003142264 203987761 /nfs/dbraw/zinc/98/77/61/203987761.db2.gz WGQHDCNWYLCHCD-INIZCTEOSA-N 0 0 383.662 4.971 50 0 GJAARN O=C(N[C@@H](Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000003142263 203987804 /nfs/dbraw/zinc/98/78/04/203987804.db2.gz WGQHDCNWYLCHCD-MRXNPFEDSA-N 0 0 383.662 4.971 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/N=C3CCCCCN3C2=O)o1 ZINC000003192901 203988765 /nfs/dbraw/zinc/98/87/65/203988765.db2.gz NNOOFALSJRPXAQ-XMHGGMMESA-N 0 0 386.455 4.596 50 0 GJAARN CC(C)c1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000003262155 203992831 /nfs/dbraw/zinc/99/28/31/203992831.db2.gz ZZRREKUIWIRXES-UHFFFAOYSA-N 0 0 389.879 4.803 50 0 GJAARN CC(C)(C)OC(=O)n1cc(Br)c2c1cccc2Br ZINC000002563790 203949164 /nfs/dbraw/zinc/94/91/64/203949164.db2.gz WOKVBYGNVGDARB-UHFFFAOYSA-N 0 0 375.060 4.950 50 0 GJAARN Cc1ccc(Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 ZINC000002629759 203951626 /nfs/dbraw/zinc/95/16/26/203951626.db2.gz CWAAZPBVYCOFDT-UHFFFAOYSA-N 0 0 381.486 4.932 50 0 GJAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1Cl ZINC000002627669 203952174 /nfs/dbraw/zinc/95/21/74/203952174.db2.gz ALOBFLVMRHYHSA-UHFFFAOYSA-N 0 0 398.690 4.790 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3nccs3)cc12 ZINC000002660841 203955926 /nfs/dbraw/zinc/95/59/26/203955926.db2.gz XHWCPDYZRFBBQZ-UHFFFAOYSA-N 0 0 388.905 4.817 50 0 GJAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1OC ZINC000004313772 204037340 /nfs/dbraw/zinc/03/73/40/204037340.db2.gz RBFJXLMTCSXHEU-RVDMUPIBSA-N 0 0 398.462 4.882 50 0 GJAARN O=C(Nc1ccc(F)cc1F)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000004324669 204037667 /nfs/dbraw/zinc/03/76/67/204037667.db2.gz DCIKWGFKAZRTGB-UHFFFAOYSA-N 0 0 397.828 4.543 50 0 GJAARN C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004332261 204038731 /nfs/dbraw/zinc/03/87/31/204038731.db2.gz BWMXYDXSKFFWIS-CYBMUJFWSA-N 0 0 392.436 4.740 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)s2)c1C ZINC000003336572 203999417 /nfs/dbraw/zinc/99/94/17/203999417.db2.gz GLMNSBIJORZKGW-UHFFFAOYSA-N 0 0 399.497 4.602 50 0 GJAARN O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1ccco1 ZINC000003362916 204001099 /nfs/dbraw/zinc/00/10/99/204001099.db2.gz IYXKYYVWEJDSTI-UHFFFAOYSA-N 0 0 386.285 4.983 50 0 GJAARN O=C(CSCCO)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000003363385 204001159 /nfs/dbraw/zinc/00/11/59/204001159.db2.gz UCEWUEXSUCQJEW-UHFFFAOYSA-N 0 0 376.547 4.522 50 0 GJAARN CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C)s1)c1ccccc1 ZINC000003389075 204002609 /nfs/dbraw/zinc/00/26/09/204002609.db2.gz XBTXIGDFBVTUOK-QGZVFWFLSA-N 0 0 385.514 4.717 50 0 GJAARN CC(C)=CC(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003370709 204003067 /nfs/dbraw/zinc/00/30/67/204003067.db2.gz LCYOOZZTPVNVLU-UHFFFAOYSA-N 0 0 375.877 4.939 50 0 GJAARN COc1cccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)c1 ZINC000003426966 204006809 /nfs/dbraw/zinc/00/68/09/204006809.db2.gz CLJSIKRWLSFOET-LJQANCHMSA-N 0 0 381.501 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O=c1nc(SCc2ccccc2Cl)c2c(n1CCc1ccccc1)CCC2 ZINC000027994078 204863967 /nfs/dbraw/zinc/86/39/67/204863967.db2.gz VSRLZVKEHLFNLN-UHFFFAOYSA-N 0 0 396.943 4.920 50 0 GJAARN CC[C@H]1c2ccsc2CCN1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 ZINC000039996898 204867131 /nfs/dbraw/zinc/86/71/31/204867131.db2.gz QBPOMJDEJHLHOC-KRWDZBQOSA-N 0 0 381.501 4.575 50 0 GJAARN CN(C(=O)/C=C/c1ccc(OCc2ccccn2)cc1)[C@H]1CCc2ccccc21 ZINC000040080073 204869073 /nfs/dbraw/zinc/86/90/73/204869073.db2.gz NDTSQHAALARBJM-VLSFKVKESA-N 0 0 384.479 4.820 50 0 GJAARN COc1cc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000040096199 204871025 /nfs/dbraw/zinc/87/10/25/204871025.db2.gz JNODNYFPQNUOEO-LBPRGKRZSA-N 0 0 378.856 4.591 50 0 GJAARN CC(C)[C@@H](C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccccn1 ZINC000225703300 211918702 /nfs/dbraw/zinc/91/87/02/211918702.db2.gz VFEDEPNALGAISL-GOSISDBHSA-N 0 0 387.455 4.785 50 0 GJAARN Cc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccco2)c1 ZINC000040158809 204889184 /nfs/dbraw/zinc/88/91/84/204889184.db2.gz 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COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(Cl)c2)c(OC)c1 ZINC000040284559 205061289 /nfs/dbraw/zinc/06/12/89/205061289.db2.gz XNMVNNFCXDCCAI-OAHLLOKOSA-N 0 0 383.835 4.667 50 0 GJAARN CSc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC000044837543 205087006 /nfs/dbraw/zinc/08/70/06/205087006.db2.gz DBQZVNOHOVQEFG-UHFFFAOYSA-N 0 0 388.290 4.813 50 0 GJAARN CCc1c(C)c(C(=O)Nc2ccc(OC)cc2)n(Cc2cccc(OC)c2)c1C ZINC000044854702 205087833 /nfs/dbraw/zinc/08/78/33/205087833.db2.gz ZFZANRRIAVHNDO-UHFFFAOYSA-N 0 0 392.499 4.985 50 0 GJAARN CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cc(C)ccc1OC ZINC000041076937 205076808 /nfs/dbraw/zinc/07/68/08/205076808.db2.gz GOUFODVRTUPYAF-UHFFFAOYSA-N 0 0 393.487 4.516 50 0 GJAARN Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc1Cl ZINC000041077043 205077152 /nfs/dbraw/zinc/07/71/52/205077152.db2.gz PGSOIKBQEOEZJG-UHFFFAOYSA-N 0 0 383.879 4.932 50 0 GJAARN CC(C)n1ncc2cc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cnc21 ZINC000048273694 205117169 /nfs/dbraw/zinc/11/71/69/205117169.db2.gz 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205187137 /nfs/dbraw/zinc/18/71/37/205187137.db2.gz WDBMMDWIHUWNQA-UHFFFAOYSA-N 0 0 382.467 4.526 50 0 GJAARN CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC(C)CC3)c2C)cn1 ZINC000063844756 205187206 /nfs/dbraw/zinc/18/72/06/205187206.db2.gz VTUOZKIIOJTUHU-UHFFFAOYSA-N 0 0 376.504 4.607 50 0 GJAARN C[C@@H](CNC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccccc1 ZINC000057983862 205160881 /nfs/dbraw/zinc/16/08/81/205160881.db2.gz AHUVQFINECQDKS-INIZCTEOSA-N 0 0 375.497 4.525 50 0 GJAARN CCCc1ccc([C@H](C)N(CC(N)=O)Cc2csc(-c3ccccc3)n2)cc1 ZINC000058132844 205163658 /nfs/dbraw/zinc/16/36/58/205163658.db2.gz XDJUYPVARIHJIY-KRWDZBQOSA-N 0 0 393.556 4.811 50 0 GJAARN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000058226805 205170858 /nfs/dbraw/zinc/17/08/58/205170858.db2.gz GMWKZJXXLLVFHR-UHFFFAOYSA-N 0 0 388.349 4.500 50 0 GJAARN Cc1ncc(CN(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)s1 ZINC000058265641 205171471 /nfs/dbraw/zinc/17/14/71/205171471.db2.gz FKKNWFSQZMSPHR-UHFFFAOYSA-N 0 0 398.454 4.734 50 0 GJAARN Cc1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)nn1-c1ccc(F)cc1 ZINC000058357566 205173579 /nfs/dbraw/zinc/17/35/79/205173579.db2.gz QDQMBDVTTLPOLD-UHFFFAOYSA-N 0 0 387.418 4.711 50 0 GJAARN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000058430318 205174414 /nfs/dbraw/zinc/17/44/14/205174414.db2.gz ZLNNWEAPTBESTG-MRVPVSSYSA-N 0 0 382.873 4.661 50 0 GJAARN CSc1ccc(NC(=O)[C@H](C)n2c(=S)[nH]nc2-c2cccs2)cc1 ZINC000058426239 205174863 /nfs/dbraw/zinc/17/48/63/205174863.db2.gz LHXCUWHVHTWZJG-JTQLQIEISA-N 0 0 376.532 4.591 50 0 GJAARN COc1ccccc1C1(CNC(=O)c2cc3c(s2)CCCCC3)CCOCC1 ZINC000058421700 205175161 /nfs/dbraw/zinc/17/51/61/205175161.db2.gz YWAJJZLLHWZIDT-UHFFFAOYSA-N 0 0 399.556 4.504 50 0 GJAARN C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc43)cc2)C[C@@H](C)O1 ZINC000058439639 205176097 /nfs/dbraw/zinc/17/60/97/205176097.db2.gz VOZXNDXLSVSIMA-HZPDHXFCSA-N 0 0 377.444 4.668 50 0 GJAARN Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000058439312 205176931 /nfs/dbraw/zinc/17/69/31/205176931.db2.gz CNKQHVXCCINRKV-UHFFFAOYSA-N 0 0 394.837 4.838 50 0 GJAARN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1 ZINC000059421547 205178887 /nfs/dbraw/zinc/17/88/87/205178887.db2.gz SYQYOMBUYDKKCX-LJQANCHMSA-N 0 0 399.263 4.811 50 0 GJAARN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)/C=C/c1ccc(F)cc1 ZINC000060331092 205179535 /nfs/dbraw/zinc/17/95/35/205179535.db2.gz MMCUFCDIOCPSBL-QGFLDLQWSA-N 0 0 375.447 4.908 50 0 GJAARN Cc1sc(CNC(=O)c2[nH]nc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000059996425 205179891 /nfs/dbraw/zinc/17/98/91/205179891.db2.gz MUJVQNBEJWAMNA-UHFFFAOYSA-N 0 0 382.876 4.578 50 0 GJAARN COC(=O)c1c(NC(=O)c2cc(F)c(Cl)cc2Cl)sc2c1CCC2 ZINC000061049804 205181446 /nfs/dbraw/zinc/18/14/46/205181446.db2.gz XZKAOXVSPGIQJT-UHFFFAOYSA-N 0 0 388.247 4.722 50 0 GJAARN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCCCCCC1 ZINC000061015909 205181725 /nfs/dbraw/zinc/18/17/25/205181725.db2.gz OMXSZRJWQCXIJB-UHFFFAOYSA-N 0 0 376.504 4.560 50 0 GJAARN CCCn1c(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)nc2ccccc21 ZINC000060580978 205182005 /nfs/dbraw/zinc/18/20/05/205182005.db2.gz NUDYGYBZILYTSJ-UHFFFAOYSA-N 0 0 384.892 4.831 50 0 GJAARN COCCOc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000062580234 205185339 /nfs/dbraw/zinc/18/53/39/205185339.db2.gz WKNVUXBDCGVIJN-UHFFFAOYSA-N 0 0 379.243 4.752 50 0 GJAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000064887912 205199327 /nfs/dbraw/zinc/19/93/27/205199327.db2.gz YTKWRWNLZPPATF-UHFFFAOYSA-N 0 0 393.849 4.926 50 0 GJAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1 ZINC000064891368 205199649 /nfs/dbraw/zinc/19/96/49/205199649.db2.gz UUPWDDLPYRUVSJ-UHFFFAOYSA-N 0 0 390.443 4.560 50 0 GJAARN CCOc1ccccc1-n1nnc(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000064948689 205201400 /nfs/dbraw/zinc/20/14/00/205201400.db2.gz CCEOSYKGLOUGEE-UHFFFAOYSA-N 0 0 397.891 4.692 50 0 GJAARN Cc1ccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000064989868 205205013 /nfs/dbraw/zinc/20/50/13/205205013.db2.gz ZNFFVSIOESZENR-SFHVURJKSA-N 0 0 384.479 4.516 50 0 GJAARN Cc1ccc(Oc2ccc(-c3noc([C@H](C)NC(=O)c4ccco4)n3)cc2)cc1 ZINC000065005148 205206617 /nfs/dbraw/zinc/20/66/17/205206617.db2.gz VBOQKKJOHJDPLO-HNNXBMFYSA-N 0 0 389.411 4.921 50 0 GJAARN Cc1ccccc1Cn1nnc2cc(C(=O)Nc3cccc(Cl)c3)ccc21 ZINC000065030243 205207054 /nfs/dbraw/zinc/20/70/54/205207054.db2.gz CUVISXIQZGUXKW-UHFFFAOYSA-N 0 0 376.847 4.694 50 0 GJAARN Cc1cc(F)ccc1NC(=O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000065031492 205207073 /nfs/dbraw/zinc/20/70/73/205207073.db2.gz PUPWOXSOBHZWCN-UHFFFAOYSA-N 0 0 387.414 4.762 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025801 205207447 /nfs/dbraw/zinc/20/74/47/205207447.db2.gz KZCHXKOEUGJRGG-UHFFFAOYSA-N 0 0 386.499 4.818 50 0 GJAARN Cc1noc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3Cl)s2)c1C ZINC000065031300 205207544 /nfs/dbraw/zinc/20/75/44/205207544.db2.gz UYVRVCVUBLBDHC-UHFFFAOYSA-N 0 0 382.894 4.783 50 0 GJAARN COC(=O)c1cc(OCc2cccc(C(F)(F)F)c2)c2cc(OC)ccc2n1 ZINC000065033248 205207803 /nfs/dbraw/zinc/20/78/03/205207803.db2.gz FPHBHCPHXIRYEH-UHFFFAOYSA-N 0 0 391.345 4.628 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)c(C)c1 ZINC000065058729 205209160 /nfs/dbraw/zinc/20/91/60/205209160.db2.gz JAFNDGDFOVSUGL-DEOSSOPVSA-N 0 0 393.531 4.562 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)c(Cl)c1 ZINC000065059129 205209199 /nfs/dbraw/zinc/20/91/99/205209199.db2.gz ODGJQOBBHBIFEW-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1cccc(-c2nc(C3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)c1 ZINC000065076740 205209615 /nfs/dbraw/zinc/20/96/15/205209615.db2.gz YWCKTKMJIGOKHX-UHFFFAOYSA-N 0 0 381.863 4.718 50 0 GJAARN O=C(c1cccc(Cl)c1)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135245 205211421 /nfs/dbraw/zinc/21/14/21/205211421.db2.gz KTQUGBMPHSBPAA-SFHVURJKSA-N 0 0 377.875 4.817 50 0 GJAARN CCc1nc2cc(-c3noc(Cc4ccccc4Br)n3)ccc2o1 ZINC000065149700 205212713 /nfs/dbraw/zinc/21/27/13/205212713.db2.gz VLDDTCTVIVAMFS-UHFFFAOYSA-N 0 0 384.233 4.794 50 0 GJAARN Cc1cccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 ZINC000065148327 205212895 /nfs/dbraw/zinc/21/28/95/205212895.db2.gz CICFBOSTGYBAFO-SFHVURJKSA-N 0 0 390.462 4.688 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153673 205213984 /nfs/dbraw/zinc/21/39/84/205213984.db2.gz QLCKUMIVFZUNLX-UHFFFAOYSA-N 0 0 396.450 4.775 50 0 GJAARN C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1)c1ccc(F)cc1 ZINC000065153776 205214030 /nfs/dbraw/zinc/21/40/30/205214030.db2.gz KZEHKZLWNKNOHB-MRXNPFEDSA-N 0 0 398.441 4.836 50 0 GJAARN O=C(NCCC1=CCCCC1)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153671 205214599 /nfs/dbraw/zinc/21/45/99/205214599.db2.gz WHLLLMPXYOQSNG-UHFFFAOYSA-N 0 0 384.483 4.826 50 0 GJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(OC)c(OC)c1 ZINC000064438576 205189663 /nfs/dbraw/zinc/18/96/63/205189663.db2.gz AVJQTXPPTYZITB-UHFFFAOYSA-N 0 0 395.459 4.574 50 0 GJAARN Cc1cc(C)cc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)c1 ZINC000064471756 205190598 /nfs/dbraw/zinc/19/05/98/205190598.db2.gz QJXMFGYNRDMRJI-UHFFFAOYSA-N 0 0 377.513 4.784 50 0 GJAARN Cc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)c1 ZINC000064471675 205190849 /nfs/dbraw/zinc/19/08/49/205190849.db2.gz SJEXCMFAXKMOOG-UHFFFAOYSA-N 0 0 381.476 4.615 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000064581016 205191756 /nfs/dbraw/zinc/19/17/56/205191756.db2.gz WHMLNYMINKDIJQ-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)NCc1ccco1 ZINC000064579760 205191806 /nfs/dbraw/zinc/19/18/06/205191806.db2.gz MCLJOSZZWUCXEL-UHFFFAOYSA-N 0 0 376.865 4.515 50 0 GJAARN Cc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)cc1 ZINC000064656983 205192608 /nfs/dbraw/zinc/19/26/08/205192608.db2.gz AVGIRNGONONDFX-QGZVFWFLSA-N 0 0 397.521 4.672 50 0 GJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)n1 ZINC000064747571 205193994 /nfs/dbraw/zinc/19/39/94/205193994.db2.gz BELWZZGEIHWULF-MRXNPFEDSA-N 0 0 398.850 4.768 50 0 GJAARN Cc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000064775743 205194803 /nfs/dbraw/zinc/19/48/03/205194803.db2.gz HRDKCYNCXSNGIK-UHFFFAOYSA-N 0 0 385.467 4.520 50 0 GJAARN CCn1c(C(=O)Nc2cc(Cl)ccc2OC)cc2c1c1ccccc1oc2=O ZINC000064839014 205196727 /nfs/dbraw/zinc/19/67/27/205196727.db2.gz JJYUHBRLIHDONW-UHFFFAOYSA-N 0 0 396.830 4.682 50 0 GJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000064837706 205196753 /nfs/dbraw/zinc/19/67/53/205196753.db2.gz JHSKQNUHZVNACP-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c1 ZINC000064844737 205198460 /nfs/dbraw/zinc/19/84/60/205198460.db2.gz WWPYMFPCMXPVCD-UHFFFAOYSA-N 0 0 375.428 4.849 50 0 GJAARN CCn1cc(-c2nc(C(=O)Nc3cc(F)cc(F)c3)cs2)c2cccnc21 ZINC000065241088 205222365 /nfs/dbraw/zinc/22/23/65/205222365.db2.gz OSRREOGYMAJRCM-UHFFFAOYSA-N 0 0 384.411 4.710 50 0 GJAARN Cc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2cc(F)ccc2F)n1 ZINC000065320622 205230278 /nfs/dbraw/zinc/23/02/78/205230278.db2.gz CURYPUOBNXSPPM-QGZVFWFLSA-N 0 0 384.386 4.692 50 0 GJAARN COc1cccc(CNc2ncc(-c3cncnc3)c(-c3ccc(C)cc3)n2)c1 ZINC000065383555 205233375 /nfs/dbraw/zinc/23/33/75/205233375.db2.gz XNIJEDPWKBEAIC-UHFFFAOYSA-N 0 0 383.455 4.530 50 0 GJAARN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1[C@H](C)c1cnn(C)c1 ZINC000065455046 205234530 /nfs/dbraw/zinc/23/45/30/205234530.db2.gz ONLRVEZRKCHVLO-OAHLLOKOSA-N 0 0 376.435 4.708 50 0 GJAARN COc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2cnn(C)c2)ccc1F ZINC000065422063 205234681 /nfs/dbraw/zinc/23/46/81/205234681.db2.gz WSJXMNYAKATXFO-HNNXBMFYSA-N 0 0 376.435 4.708 50 0 GJAARN Cc1nc2sccn2c1-c1c(-c2ccccc2)ncn1CCc1cccnc1 ZINC000065527598 205236564 /nfs/dbraw/zinc/23/65/64/205236564.db2.gz HKBOOCLXIHYOMQ-UHFFFAOYSA-N 0 0 385.496 4.872 50 0 GJAARN Cc1ccc(C(=O)c2ccccc2C(=O)Nc2nnc(C(C)C)s2)cc1C ZINC000065575195 205237888 /nfs/dbraw/zinc/23/78/88/205237888.db2.gz STLCWVWHUNABQS-UHFFFAOYSA-N 0 0 379.485 4.762 50 0 GJAARN COC(=O)N(C)c1ccc(NC(=O)c2c3ccccc3nc3c2CCCC3)cc1 ZINC000065592280 205239652 /nfs/dbraw/zinc/23/96/52/205239652.db2.gz JNUHIJNMXUDHSC-UHFFFAOYSA-N 0 0 389.455 4.569 50 0 GJAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(Cl)cc1)N1CCCC1 ZINC000067288247 205243414 /nfs/dbraw/zinc/24/34/14/205243414.db2.gz MBXRBUYZUSPKCI-UHFFFAOYSA-N 0 0 383.854 4.875 50 0 GJAARN CCc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)cc1 ZINC000067293446 205244508 /nfs/dbraw/zinc/24/45/08/205244508.db2.gz AIDZPDAPXAVKIJ-LCUIJRPUSA-N 0 0 399.450 4.884 50 0 GJAARN CCCN(CCC)C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 ZINC000067289759 205244736 /nfs/dbraw/zinc/24/47/36/205244736.db2.gz OTUKDRAZRVGFMT-UHFFFAOYSA-N 0 0 396.560 4.754 50 0 GJAARN Cc1cc(C)c(NC(=O)CSc2ccc(-c3nc(C4CC4)no3)cn2)c(C)c1 ZINC000065185751 205217661 /nfs/dbraw/zinc/21/76/61/205217661.db2.gz NGSLULBKFLCJAF-UHFFFAOYSA-N 0 0 394.500 4.665 50 0 GJAARN CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(NCc2cccs2)nc1 ZINC000067587921 205251154 /nfs/dbraw/zinc/25/11/54/205251154.db2.gz PPTOHFXHVYEFLR-UHFFFAOYSA-N 0 0 388.496 4.576 50 0 GJAARN CC(C)c1csc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n1 ZINC000067725597 205257076 /nfs/dbraw/zinc/25/70/76/205257076.db2.gz WRBGJSPFQHABPM-UHFFFAOYSA-N 0 0 375.444 4.758 50 0 GJAARN O=C(c1ccc(NCc2ccco2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067755576 205258514 /nfs/dbraw/zinc/25/85/14/205258514.db2.gz AHJOYUZYYWNNDP-LJQANCHMSA-N 0 0 375.472 4.697 50 0 GJAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3onc4ccccc43)C2)cc1 ZINC000067880179 205267101 /nfs/dbraw/zinc/26/71/01/205267101.db2.gz SMRVDJCBSXTTRI-KRWDZBQOSA-N 0 0 386.455 4.546 50 0 GJAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000068805167 205272524 /nfs/dbraw/zinc/27/25/24/205272524.db2.gz YKVHNZZEMUXPKW-QFIPXVFZSA-N 0 0 389.499 4.534 50 0 GJAARN Cn1cc(-c2ccco2)nc1CCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000090606990 205273809 /nfs/dbraw/zinc/27/38/09/205273809.db2.gz KXRSDTZIJHOERA-UHFFFAOYSA-N 0 0 397.906 4.504 50 0 GJAARN Cc1c(CNC(=O)Cc2ccccc2F)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593760 205273965 /nfs/dbraw/zinc/27/39/65/205273965.db2.gz RFLTUYHJJZJWAM-UHFFFAOYSA-N 0 0 397.450 4.508 50 0 GJAARN CC[C@@H](C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1 ZINC000090607121 205274148 /nfs/dbraw/zinc/27/41/48/205274148.db2.gz GFRVURATHOOCAG-JOCHJYFZSA-N 0 0 388.515 4.870 50 0 GJAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c(F)c1 ZINC000067295527 205245996 /nfs/dbraw/zinc/24/59/96/205245996.db2.gz XIRXPEOKRXGTBM-LVWGJNHUSA-N 0 0 376.387 4.636 50 0 GJAARN CC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc(C(F)(F)F)n1 ZINC000071415835 205283373 /nfs/dbraw/zinc/28/33/73/205283373.db2.gz HJRFWSKUDREGTB-HNNXBMFYSA-N 0 0 385.817 4.850 50 0 GJAARN C[C@@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccccc1-c1ccco1 ZINC000071765214 205294469 /nfs/dbraw/zinc/29/44/69/205294469.db2.gz KYUQKWFZFRFZBP-HNNXBMFYSA-N 0 0 383.411 4.864 50 0 GJAARN O=C(c1cccc(O)c1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071763263 205296244 /nfs/dbraw/zinc/29/62/44/205296244.db2.gz DFKZXERZWGHROQ-OAHLLOKOSA-N 0 0 377.406 4.896 50 0 GJAARN O=C(c1cccc(Br)c1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612169 205275266 /nfs/dbraw/zinc/27/52/66/205275266.db2.gz QXRCXRDLWBRWON-UHFFFAOYSA-N 0 0 376.275 4.946 50 0 GJAARN O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c21)NCCC1=CCCCC1 ZINC000090610144 205275636 /nfs/dbraw/zinc/27/56/36/205275636.db2.gz QGKTWIZHUWAMMD-UHFFFAOYSA-N 0 0 392.528 4.724 50 0 GJAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)c1c(F)cccc1Cl ZINC000090610566 205275685 /nfs/dbraw/zinc/27/56/85/205275685.db2.gz SVPBDNUEUDNWNM-UHFFFAOYSA-N 0 0 379.865 4.763 50 0 GJAARN C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc43)cc2)C[C@H](C)O1 ZINC000069598214 205276902 /nfs/dbraw/zinc/27/69/02/205276902.db2.gz VOZXNDXLSVSIMA-HOTGVXAUSA-N 0 0 377.444 4.668 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)[nH]n2)cc1 ZINC000072331559 205325743 /nfs/dbraw/zinc/32/57/43/205325743.db2.gz DKAZDYWTLNOYTP-UHFFFAOYSA-N 0 0 383.879 4.839 50 0 GJAARN Oc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)cc1-c1ccno1 ZINC000072153475 205312682 /nfs/dbraw/zinc/31/26/82/205312682.db2.gz CIYAPFZNIWKPSI-UHFFFAOYSA-N 0 0 383.411 4.598 50 0 GJAARN CC(C)N(CC(F)(F)F)C(=O)CCSc1ccccc1Br ZINC000072272686 205319133 /nfs/dbraw/zinc/31/91/33/205319133.db2.gz YUFDCADJWXGKDC-UHFFFAOYSA-N 0 0 384.261 4.731 50 0 GJAARN O=C1C[C@@H](c2ccc(Br)cc2F)c2cnn(Cc3ccco3)c2N1 ZINC000072404598 205345656 /nfs/dbraw/zinc/34/56/56/205345656.db2.gz QJJIZCNCZSTVOM-ZDUSSCGKSA-N 0 0 390.212 4.550 50 0 GJAARN COCCn1ccc2c1cccc2NC(=O)Cc1csc(-c2cccs2)n1 ZINC000072404265 205346110 /nfs/dbraw/zinc/34/61/10/205346110.db2.gz XTTZOJPPIBWXBJ-UHFFFAOYSA-N 0 0 397.525 4.654 50 0 GJAARN CCc1cc(N[C@H](C)c2ccc(-n3ccnc3C)cc2)nc(-c2ccccn2)n1 ZINC000079046633 205378681 /nfs/dbraw/zinc/37/86/81/205378681.db2.gz QBOSFYMYJHQOPO-MRXNPFEDSA-N 0 0 384.487 4.768 50 0 GJAARN O=C(C[C@@H]1CCCN1C(=O)c1ccc(-n2cccc2)c(F)c1)c1cccs1 ZINC000079045272 205379379 /nfs/dbraw/zinc/37/93/79/205379379.db2.gz JNGGZJZQJUCSOI-INIZCTEOSA-N 0 0 382.460 4.556 50 0 GJAARN CSc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccn2)cc1 ZINC000079490644 205383750 /nfs/dbraw/zinc/38/37/50/205383750.db2.gz CEHAICNVZUZDHV-GOSISDBHSA-N 0 0 382.514 4.722 50 0 GJAARN O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000079487841 205383978 /nfs/dbraw/zinc/38/39/78/205383978.db2.gz VXEDDABWYRNFIZ-NRFANRHFSA-N 0 0 380.532 4.540 50 0 GJAARN CC(C)c1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)n(-c2ccccc2)n1 ZINC000079491344 205384211 /nfs/dbraw/zinc/38/42/11/205384211.db2.gz NEGAJIOUESHZIL-UHFFFAOYSA-N 0 0 390.462 4.589 50 0 GJAARN COCCn1ccc2c1cccc2NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000079488495 205384484 /nfs/dbraw/zinc/38/44/84/205384484.db2.gz GTOWDWWTHDGBCO-UHFFFAOYSA-N 0 0 389.455 4.514 50 0 GJAARN O=C(Nc1ccccc1N1CCCC1)c1csc(-c2ncccc2Cl)n1 ZINC000133344560 205436692 /nfs/dbraw/zinc/43/66/92/205436692.db2.gz APUXVHVJSQWPMC-UHFFFAOYSA-N 0 0 384.892 4.711 50 0 GJAARN O=C1CS[C@H](c2cccc(O)c2)c2cnn(Cc3ccc(Cl)cc3)c2N1 ZINC000095478744 205467651 /nfs/dbraw/zinc/46/76/51/205467651.db2.gz XUGNKFPLSNMGTA-GOSISDBHSA-N 0 0 385.876 4.715 50 0 GJAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccc(Br)c1 ZINC000058137725 211777975 /nfs/dbraw/zinc/77/79/75/211777975.db2.gz YVJJLSCODIBRFA-UHFFFAOYSA-N 0 0 395.300 4.767 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1)c1ccco1 ZINC000096276230 205553684 /nfs/dbraw/zinc/55/36/84/205553684.db2.gz CQDZAUBPVVKJJB-KRWDZBQOSA-N 0 0 393.830 4.697 50 0 GJAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccco2)no1 ZINC000096293836 205558141 /nfs/dbraw/zinc/55/81/41/205558141.db2.gz ZGGMXYKOXKBWSM-NHYWBVRUSA-N 0 0 393.365 4.866 50 0 GJAARN C/C=C\c1ccc(OCC(=O)Nc2ccccc2Br)c(OC)c1 ZINC000096504719 205567460 /nfs/dbraw/zinc/56/74/60/205567460.db2.gz BJZFZPHGPYNDCX-UTCJRWHESA-N 0 0 376.250 4.508 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000096585484 205569103 /nfs/dbraw/zinc/56/91/03/205569103.db2.gz LSUBKAXHQHVEIC-WYVHHVQNSA-N 0 0 386.289 4.835 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1cc(Cl)c(OC)c(OC)c1 ZINC000096920651 205576520 /nfs/dbraw/zinc/57/65/20/205576520.db2.gz FPNDPYREAKSTIV-OGZRUICASA-N 0 0 391.920 4.968 50 0 GJAARN CCOCCCNC(=O)/C(=C\c1ccc(Br)cc1)c1cccs1 ZINC000096991349 205581073 /nfs/dbraw/zinc/58/10/73/205581073.db2.gz UNXCPUQAHGYZHZ-SSZFMOIBSA-N 0 0 394.334 4.594 50 0 GJAARN COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3ccccc3c2=O)cc1 ZINC000101192117 205617696 /nfs/dbraw/zinc/61/76/96/205617696.db2.gz FCDZGOUTTWQBGU-UHFFFAOYSA-N 0 0 377.440 4.987 50 0 biogenic GJAARN Clc1ccc(C2=Nc3nnnn3[C@H](c3c(Cl)cccc3Cl)C2)cc1 ZINC000101166968 205617993 /nfs/dbraw/zinc/61/79/93/205617993.db2.gz RJSVMQXFRCPNSZ-AWEZNQCLSA-N 0 0 378.650 4.689 50 0 GJAARN COC[C@@H](C)N(Cc1ccc(SC)cc1)C(=O)Nc1c(F)cccc1F ZINC000097675404 205596007 /nfs/dbraw/zinc/59/60/07/205596007.db2.gz JQEYEDPSPGIIOE-CYBMUJFWSA-N 0 0 380.460 4.756 50 0 GJAARN Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)c(F)cc2F)c1C(F)(F)F ZINC000104479674 205651164 /nfs/dbraw/zinc/65/11/64/205651164.db2.gz ZBXJLHOQGPSTIO-UHFFFAOYSA-N 0 0 399.294 4.869 50 0 GJAARN CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101678726 205624273 /nfs/dbraw/zinc/62/42/73/205624273.db2.gz ZEPLUFMOFBPTLD-SFHVURJKSA-N 0 0 393.878 4.582 50 0 GJAARN O=C(Oc1cccc2ccccc21)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000101913284 205629014 /nfs/dbraw/zinc/62/90/14/205629014.db2.gz ILESWXCPSXWXQE-SFTDATJTSA-N 0 0 397.430 4.515 50 0 GJAARN COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000938632 205704435 /nfs/dbraw/zinc/70/44/35/205704435.db2.gz BZOOLSMUBYDZBO-HNNXBMFYSA-N 0 0 385.529 4.867 50 0 GJAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000145918299 205702745 /nfs/dbraw/zinc/70/27/45/205702745.db2.gz UYWLJCYCVYTAQA-UHFFFAOYSA-N 0 0 380.879 4.687 50 0 GJAARN CCCCc1ccc(-c2csc3c2C(=O)N[C@H](c2cnn(C)c2C)N3)cc1 ZINC000002772109 205722531 /nfs/dbraw/zinc/72/25/31/205722531.db2.gz ZHWJHOXCGKDAMV-IBGZPJMESA-N 0 0 380.517 4.654 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)s2)c1 ZINC000003222002 205723663 /nfs/dbraw/zinc/72/36/63/205723663.db2.gz YFZRJQUUZHMQNQ-SQWLQELKSA-N 0 0 390.578 4.623 50 0 GJAARN CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1cccs1 ZINC000004309123 205741461 /nfs/dbraw/zinc/74/14/61/205741461.db2.gz KILYLLPRKNFBHA-UHFFFAOYSA-N 0 0 386.546 4.755 50 0 GJAARN Clc1ccc(CSc2ccc3nnc(-c4ccncc4)n3n2)c(Cl)c1 ZINC000004328139 205744550 /nfs/dbraw/zinc/74/45/50/205744550.db2.gz MCYHKVFUBOVSGO-UHFFFAOYSA-N 0 0 388.283 4.785 50 0 GJAARN CCn1c2ccccc2c(C(=O)COc2ccccc2C(N)=O)c1-c1ccccc1 ZINC000004895447 205752531 /nfs/dbraw/zinc/75/25/31/205752531.db2.gz GIFJGQZNMSDHQN-UHFFFAOYSA-N 0 0 398.462 4.689 50 0 GJAARN CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4)n3CC)n2)cc1 ZINC000007150434 205783048 /nfs/dbraw/zinc/78/30/48/205783048.db2.gz UYHONNKLWHRUTG-UHFFFAOYSA-N 0 0 391.500 4.870 50 0 GJAARN C[C@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000007554594 205787202 /nfs/dbraw/zinc/78/72/02/205787202.db2.gz FDWYTTUXNGQTBD-BIVWETNQSA-N 0 0 398.311 4.877 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 ZINC000007599182 205789219 /nfs/dbraw/zinc/78/92/19/205789219.db2.gz WIVPPABRFZLXMW-UHFFFAOYSA-N 0 0 380.425 4.826 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)c1 ZINC000006323577 205775829 /nfs/dbraw/zinc/77/58/29/205775829.db2.gz CKPXERBZNKLZAX-UHFFFAOYSA-N 0 0 384.457 4.514 50 0 GJAARN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000006623663 205779352 /nfs/dbraw/zinc/77/93/52/205779352.db2.gz FWOFSGVAIHDXDD-PAYQGRNASA-N 0 0 391.511 4.603 50 0 biogenic GJAARN C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008807907 205797981 /nfs/dbraw/zinc/79/79/81/205797981.db2.gz PYOIJGFHUGCSFG-ZDUSSCGKSA-N 0 0 394.525 4.816 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 ZINC000003402298 205816346 /nfs/dbraw/zinc/81/63/46/205816346.db2.gz YYKSREOQIDLYPS-UHFFFAOYSA-N 0 0 388.290 4.782 50 0 GJAARN Cc1nc(NC(=O)Nc2cccc(C)c2)sc1C(=O)NCC1CCCCC1 ZINC000013010295 205883526 /nfs/dbraw/zinc/88/35/26/205883526.db2.gz DGWIYGCKRXUBTG-UHFFFAOYSA-N 0 0 386.521 4.714 50 0 GJAARN CC(=O)Nc1cccc(Nc2nnc(SCc3ccncc3Cl)s2)c1 ZINC000184546969 205905264 /nfs/dbraw/zinc/90/52/64/205905264.db2.gz VIAMPUSWGMQJJV-UHFFFAOYSA-N 0 0 391.909 4.581 50 0 GJAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(=O)[nH]c1 ZINC000217651724 205939783 /nfs/dbraw/zinc/93/97/83/205939783.db2.gz FNYDVYSFZYBBCV-UHFFFAOYSA-N 0 0 391.427 4.557 50 0 GJAARN Cc1cc(C(=O)N(CCc2ccc(Cl)cc2)Cc2cccnc2)cc(C)n1 ZINC000216206129 205931373 /nfs/dbraw/zinc/93/13/73/205931373.db2.gz YELFXKDHPHPWBG-UHFFFAOYSA-N 0 0 379.891 4.632 50 0 GJAARN FC(F)(F)c1cnc(SCCNc2ncnc3sccc32)c(Cl)c1 ZINC000018060537 211721750 /nfs/dbraw/zinc/72/17/50/211721750.db2.gz RZRFMWAYUWTDFJ-UHFFFAOYSA-N 0 0 390.843 4.963 50 0 GJAARN COc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1NC(C)=O ZINC000022975852 205967126 /nfs/dbraw/zinc/96/71/26/205967126.db2.gz NXFLVVKPJVKXNL-UHFFFAOYSA-N 0 0 384.379 4.518 50 0 GJAARN O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCc2ccccc21 ZINC000023136890 205973751 /nfs/dbraw/zinc/97/37/51/205973751.db2.gz VJMHVLSPXHGNCM-UHFFFAOYSA-N 0 0 387.411 4.691 50 0 GJAARN COc1ccccc1CCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000025461468 205987363 /nfs/dbraw/zinc/98/73/63/205987363.db2.gz SNUGKGKCCJNVFA-UHFFFAOYSA-N 0 0 389.455 4.911 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Br)cc1F ZINC000028235598 206039090 /nfs/dbraw/zinc/03/90/90/206039090.db2.gz SRNMMBYMDOSWAM-UHFFFAOYSA-N 0 0 388.240 4.643 50 0 GJAARN O=C(Nc1ccc(OC(=O)c2ccccc2OC(F)F)cc1)c1ccccc1 ZINC000014631284 211707419 /nfs/dbraw/zinc/70/74/19/211707419.db2.gz RHGSCPSHTNIRER-UHFFFAOYSA-N 0 0 383.350 4.760 50 0 GJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Br)cc1 ZINC000014670826 211706450 /nfs/dbraw/zinc/70/64/50/211706450.db2.gz AUMIZNNUFKWVCM-UHFFFAOYSA-N 0 0 392.684 4.785 50 0 GJAARN CC(C)Sc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 ZINC000225543504 206055997 /nfs/dbraw/zinc/05/59/97/206055997.db2.gz BSFUTPQVXKAGOA-UHFFFAOYSA-N 0 0 375.497 4.940 50 0 GJAARN COc1cc2c(cc1NC(=O)N1CCC[C@H]1c1cc[nH]n1)oc1ccccc12 ZINC000225838118 206080622 /nfs/dbraw/zinc/08/06/22/206080622.db2.gz JZPBLJLIGXAYGZ-KRWDZBQOSA-N 0 0 376.416 4.687 50 0 GJAARN Cc1nc(-n2cccc2)sc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000207960134 211699094 /nfs/dbraw/zinc/69/90/94/211699094.db2.gz PVFURVXNJVNXQC-QGZVFWFLSA-N 0 0 383.492 4.791 50 0 GJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000031335135 206087516 /nfs/dbraw/zinc/08/75/16/206087516.db2.gz JCWHMVPVAWYFDL-CYBMUJFWSA-N 0 0 391.298 4.953 50 0 GJAARN CCOc1ccccc1-c1noc(CSCC(=O)Nc2cc(C)ccc2C)n1 ZINC000031419394 206087897 /nfs/dbraw/zinc/08/78/97/206087897.db2.gz CGJUNVDYCQDUAK-UHFFFAOYSA-N 0 0 397.500 4.624 50 0 GJAARN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cccc(OC(F)F)c1 ZINC000031993904 206089151 /nfs/dbraw/zinc/08/91/51/206089151.db2.gz GGXNGLWQVUXAMG-UHFFFAOYSA-N 0 0 378.375 4.727 50 0 GJAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(F)cc3)c2C(=O)OC)C1 ZINC000033379538 206098977 /nfs/dbraw/zinc/09/89/77/206098977.db2.gz DDXJITIZXXEGJW-LWMSPQMPSA-N 0 0 387.476 4.841 50 0 GJAARN CCOc1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)cc1 ZINC000227153430 206100540 /nfs/dbraw/zinc/10/05/40/206100540.db2.gz AREPRCQKHROBOP-UHFFFAOYSA-N 0 0 399.878 4.721 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)Nc1ccc(F)cc1 ZINC000013057433 211697280 /nfs/dbraw/zinc/69/72/80/211697280.db2.gz OEXLJIVCHQNKLF-UHFFFAOYSA-N 0 0 399.510 4.582 50 0 GJAARN CCn1c2ccccc2nc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000032827311 206092770 /nfs/dbraw/zinc/09/27/70/206092770.db2.gz ZUXWYWHQLKRBHF-UHFFFAOYSA-N 0 0 398.466 4.869 50 0 GJAARN CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 ZINC000032837465 206093134 /nfs/dbraw/zinc/09/31/34/206093134.db2.gz XXRBUULHDBXVRJ-ZDUSSCGKSA-N 0 0 390.530 4.704 50 0 GJAARN CC(=O)c1ccc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000032960661 206094174 /nfs/dbraw/zinc/09/41/74/206094174.db2.gz KJSKAAGVDOLKNS-HIGJEIRPSA-N 0 0 389.536 4.842 50 0 GJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)no1 ZINC000012820805 211692072 /nfs/dbraw/zinc/69/20/72/211692072.db2.gz VBCAUHQKANAUAT-UHFFFAOYSA-N 0 0 378.215 4.516 50 0 GJAARN O=C(NCc1cccc2ccccc21)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000096024950 206114792 /nfs/dbraw/zinc/11/47/92/206114792.db2.gz WJFPVWNJVONCFG-UHFFFAOYSA-N 0 0 395.890 4.641 50 0 GJAARN O=C(COc1ccc(Cl)cc1)N(Cc1cnc2ccccn12)c1ccccc1 ZINC000096102992 206115943 /nfs/dbraw/zinc/11/59/43/206115943.db2.gz VQUKJJZLHOCRIL-UHFFFAOYSA-N 0 0 391.858 4.600 50 0 GJAARN O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096114198 206117731 /nfs/dbraw/zinc/11/77/31/206117731.db2.gz XPNPKQSCYZUYBU-CQSZACIVSA-N 0 0 390.416 4.668 50 0 biogenic GJAARN O=C1C[C@H](c2cccs2)c2c(cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096114742 206118562 /nfs/dbraw/zinc/11/85/62/206118562.db2.gz VCODUROSUJGUJD-CYBMUJFWSA-N 0 0 390.416 4.668 50 0 biogenic GJAARN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)c1cc(-c3ccccc3)ccc1O2 ZINC000096341535 206120845 /nfs/dbraw/zinc/12/08/45/206120845.db2.gz WRTVXMCPXSRHEH-HXUWFJFHSA-N 0 0 395.499 4.939 50 0 GJAARN O=C(NCC1(Sc2ccccc2)CCOCC1)Nc1ccccc1Cl ZINC000096331361 206120901 /nfs/dbraw/zinc/12/09/01/206120901.db2.gz XDKYWAVMPCDQHN-UHFFFAOYSA-N 0 0 376.909 4.803 50 0 GJAARN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000096183727 206121291 /nfs/dbraw/zinc/12/12/91/206121291.db2.gz ZKWKRKKCSGKVLU-HSZRJFAPSA-N 0 0 390.552 4.912 50 0 GJAARN COc1cccc([C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)OC)c1 ZINC000096390051 206123645 /nfs/dbraw/zinc/12/36/45/206123645.db2.gz VCCFDDCVYNVHGG-FQEVSTJZSA-N 0 0 387.907 4.664 50 0 GJAARN O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000239412545 206124273 /nfs/dbraw/zinc/12/42/73/206124273.db2.gz SVBDUOMXSTZOEP-DBBHOVQTSA-N 0 0 399.446 4.768 50 0 GJAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2)cc1 ZINC000238924039 206124310 /nfs/dbraw/zinc/12/43/10/206124310.db2.gz QLWGYUISWXNZGO-QGZVFWFLSA-N 0 0 385.851 4.526 50 0 GJAARN CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000239105237 206124841 /nfs/dbraw/zinc/12/48/41/206124841.db2.gz ICEKADLMYDOOAN-FNDUUJAJSA-N 0 0 397.302 4.695 50 0 GJAARN CC(C)c1noc([C@H](C)N2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)n1 ZINC000229839068 206109207 /nfs/dbraw/zinc/10/92/07/206109207.db2.gz MUTVRXGSUWLRKX-DLBZAZTESA-N 0 0 394.560 4.612 50 0 GJAARN CC(C)c1sc(Cl)nc1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000252482019 206138396 /nfs/dbraw/zinc/13/83/96/206138396.db2.gz CWUPZMTZVYLHEF-CQSZACIVSA-N 0 0 388.924 4.784 50 0 GJAARN CCCN(C(=O)c1csc(Cl)n1)[C@@H](C)c1ccccc1Br ZINC000241447069 206127412 /nfs/dbraw/zinc/12/74/12/206127412.db2.gz NQXDDIIQWXWVHB-JTQLQIEISA-N 0 0 387.730 5.172 50 0 GJAARN COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC(C)C)cc1 ZINC000253409540 206146559 /nfs/dbraw/zinc/14/65/59/206146559.db2.gz LZBRQXCJSGRQRV-NRFANRHFSA-N 0 0 377.488 4.678 50 0 GJAARN Cc1cc(-c2cnc(N)c3c(-c4ccc5scnc5c4)csc32)n(C)n1 ZINC000253476140 206147250 /nfs/dbraw/zinc/14/72/50/206147250.db2.gz BPKSNNJTKPIZKR-UHFFFAOYSA-N 0 0 377.498 4.864 50 0 GJAARN C/C(=C\c1ccccc1)[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21 ZINC000012289312 211680448 /nfs/dbraw/zinc/68/04/48/211680448.db2.gz AXHNDFIHVJRNGP-WMJZSHNHSA-N 0 0 385.471 4.569 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2)cnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000261495030 206184397 /nfs/dbraw/zinc/18/43/97/206184397.db2.gz QWVOVZATBNKCSP-UHFFFAOYSA-N 0 0 380.757 4.500 50 0 GJAARN O=C(NCc1ncc(Cl)cc1C(F)(F)F)c1c(Cl)cccc1Cl ZINC000263640103 206185010 /nfs/dbraw/zinc/18/50/10/206185010.db2.gz XTCAWFMGJXCESS-UHFFFAOYSA-N 0 0 383.584 4.991 50 0 GJAARN O=C(Nc1ccccc1N1CCOC1=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000299802334 206192924 /nfs/dbraw/zinc/19/29/24/206192924.db2.gz YZBRVWCFYBFTES-GOSISDBHSA-N 0 0 383.423 4.541 50 0 GJAARN COc1ccc2cc([C@H](C)C(=O)NCc3ccc(OC(F)F)cc3)ccc2c1 ZINC000011512396 211674413 /nfs/dbraw/zinc/67/44/13/211674413.db2.gz FJLASMYPZSYVNZ-AWEZNQCLSA-N 0 0 385.410 4.870 50 0 GJAARN COc1ccc([C@H]2CCCCN(C(=O)c3cc(-c4cccs4)nn3C)C2)cc1 ZINC000206883846 211673698 /nfs/dbraw/zinc/67/36/98/211673698.db2.gz ANZZTUPXZZJAIQ-KRWDZBQOSA-N 0 0 395.528 4.567 50 0 GJAARN Cc1cc2c(c(SCc3ccc(F)c(F)c3)n1)C(=O)N(c1ccccc1)C2=O ZINC000001405566 206212422 /nfs/dbraw/zinc/21/24/22/206212422.db2.gz NTQURTPHAXCKCN-UHFFFAOYSA-N 0 0 396.418 4.761 50 0 GJAARN O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccc(Br)cc1 ZINC000005338290 206216402 /nfs/dbraw/zinc/21/64/02/206216402.db2.gz IIVGZXYBTPBQBC-GDNBJRDFSA-N 0 0 389.274 4.555 50 0 GJAARN COc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1Br ZINC000008137252 211630498 /nfs/dbraw/zinc/63/04/98/211630498.db2.gz CYIOESYTKLDIPA-UHFFFAOYSA-N 0 0 384.657 4.680 50 0 GJAARN O=C(CSc1nnc2ccccn21)Nc1ccccc1Sc1ccccc1 ZINC000006115205 211625005 /nfs/dbraw/zinc/62/50/05/211625005.db2.gz JNFBYWJUNMVUTQ-UHFFFAOYSA-N 0 0 392.509 4.611 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(F)cccc1Cl ZINC000003376902 211617458 /nfs/dbraw/zinc/61/74/58/211617458.db2.gz QZEDRYSETAJESE-GLJUWKHASA-N 0 0 384.875 4.569 50 0 GJAARN CCN1c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2OCC(C)(C)C1=O ZINC000008959443 211602130 /nfs/dbraw/zinc/60/21/30/211602130.db2.gz YVVJLYRIKMJFSW-UHFFFAOYSA-N 0 0 396.531 4.613 50 0 GJAARN Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3F)s2)cc1 ZINC000006237445 211574993 /nfs/dbraw/zinc/57/49/93/211574993.db2.gz UNDUSJPAGHBYNL-UHFFFAOYSA-N 0 0 377.441 4.669 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000004585438 211548407 /nfs/dbraw/zinc/54/84/07/211548407.db2.gz UVBHAFDPKCTKNK-UHFFFAOYSA-N 0 0 389.842 4.600 50 0 GJAARN CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000004283596 211538523 /nfs/dbraw/zinc/53/85/23/211538523.db2.gz QYNXBOURKPKWIA-XSXQVXRUSA-N 0 0 389.923 4.643 50 0 GJAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004162624 211533550 /nfs/dbraw/zinc/53/35/50/211533550.db2.gz QVIJZZWDNFIAON-UHFFFAOYSA-N 0 0 377.318 4.881 50 0 GJAARN CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1C ZINC000002721583 211517005 /nfs/dbraw/zinc/51/70/05/211517005.db2.gz VVEJYYDEKIJFEB-QHCPKHFHSA-N 0 0 383.495 4.813 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc2c(s1)CCCC2 ZINC000003347524 211523021 /nfs/dbraw/zinc/52/30/21/211523021.db2.gz XIWYQKRJMPVYSL-UHFFFAOYSA-N 0 0 392.528 4.864 50 0 GJAARN CCCCc1ccc(NC(=O)COC(=O)c2ccc(SC)cc2OC)cc1 ZINC000003300175 211522474 /nfs/dbraw/zinc/52/24/74/211522474.db2.gz YHMGJAQKAUSHKT-UHFFFAOYSA-N 0 0 387.501 4.555 50 0 GJAARN C[C@H](NC(=O)c1ccc(Br)cc1Br)c1ccccc1 ZINC000000682587 209259446 /nfs/dbraw/zinc/25/94/46/209259446.db2.gz FOOZFIIYPGXXRD-JTQLQIEISA-N 0 0 383.083 4.703 50 0 GJAARN C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S ZINC000001024475 211501816 /nfs/dbraw/zinc/50/18/16/211501816.db2.gz JHXUOMHSDQEEPR-PDGQHHTCSA-N 0 0 385.485 4.792 50 0 GJAARN CC(C)Sc1ccc(-c2nnc(NC(=O)NCc3ccc(F)cc3)o2)cc1 ZINC000049025992 211456585 /nfs/dbraw/zinc/45/65/85/211456585.db2.gz FJRWDRBPKMSLMK-UHFFFAOYSA-N 0 0 386.452 4.698 50 0 GJAARN Cc1c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cnn1-c1ccccc1F ZINC000120096357 211474161 /nfs/dbraw/zinc/47/41/61/211474161.db2.gz DMFHPVRKZPRKDT-UHFFFAOYSA-N 0 0 378.382 4.706 50 0 GJAARN O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000049029550 211458209 /nfs/dbraw/zinc/45/82/09/211458209.db2.gz GQOQPDGFKKZZHD-UHFFFAOYSA-N 0 0 396.369 4.621 50 0 GJAARN O=C(N(Cc1ccsc1)Cc1ccco1)C1(c2ccccc2)CCOCC1 ZINC000042382064 211432097 /nfs/dbraw/zinc/43/20/97/211432097.db2.gz XTZCTEKFBWTCBU-UHFFFAOYSA-N 0 0 381.497 4.618 50 0 GJAARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C12 ZINC000102601244 211412554 /nfs/dbraw/zinc/41/25/54/211412554.db2.gz YFGMLQVDSWYVQU-FKIZINRSSA-N 0 0 392.846 4.702 50 0 GJAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)c2c1 ZINC000101552611 211401777 /nfs/dbraw/zinc/40/17/77/211401777.db2.gz HSJNROKWPRXGSS-UHFFFAOYSA-N 0 0 380.513 4.756 50 0 GJAARN C[S@@](=O)c1ccc(NC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)cc1 ZINC000098056684 211377918 /nfs/dbraw/zinc/37/79/18/211377918.db2.gz FYDRECHYVWPATJ-HFRIYAALSA-N 0 0 387.810 4.662 50 0 GJAARN COc1ccc(N2C(=O)C[C@H](c3c(-c4ccccc4)cc4ccccn43)C2=O)cc1 ZINC000101365408 211397965 /nfs/dbraw/zinc/39/79/65/211397965.db2.gz XSUNDQJWOQVRIH-JOCHJYFZSA-N 0 0 396.446 4.662 50 0 GJAARN Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3)sc2c1 ZINC000100966857 211393837 /nfs/dbraw/zinc/39/38/37/211393837.db2.gz PXAAFEPLENPVFH-CALCHBBNSA-N 0 0 376.481 4.951 50 0 GJAARN O=C1C[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100850455 211393086 /nfs/dbraw/zinc/39/30/86/211393086.db2.gz CXYWYBIOVLQGLH-SFHVURJKSA-N 0 0 385.250 4.891 50 0 GJAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000100726731 211391279 /nfs/dbraw/zinc/39/12/79/211391279.db2.gz BBYZKCGYPAPTTA-INIZCTEOSA-N 0 0 387.668 4.750 50 0 GJAARN C[S@](=O)(=NC(=O)c1ccccc1OC(F)(F)F)c1ccc(Cl)cc1 ZINC000100217849 211384817 /nfs/dbraw/zinc/38/48/17/211384817.db2.gz UYDZVXPCJZZBHS-XMMPIXPASA-N 0 0 377.771 4.536 50 0 GJAARN O=c1[nH]c2cc3c(cc2c(-c2ccc(F)cc2)c1Cc1ccccc1)OCCO3 ZINC000098086842 211379150 /nfs/dbraw/zinc/37/91/50/211379150.db2.gz UYBUCFVTJVWZTK-UHFFFAOYSA-N 0 0 387.410 4.696 50 0 GJAARN COc1ccc(C(=O)CSc2n[nH]c(C=Cc3ccc(C)o3)n2)cc1Cl ZINC000097015534 211354529 /nfs/dbraw/zinc/35/45/29/211354529.db2.gz DZCBFCLQSZYVHV-VURMDHGXSA-N 0 0 389.864 4.514 50 0 GJAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccnc1C(F)(F)F ZINC000097032070 211354334 /nfs/dbraw/zinc/35/43/34/211354334.db2.gz OWNHFTPACFUBJQ-UHFFFAOYSA-N 0 0 385.317 4.754 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 ZINC000096924769 211351771 /nfs/dbraw/zinc/35/17/71/211351771.db2.gz HMRHJLLDRCIBOR-WHIQYKQFSA-N 0 0 395.499 4.870 50 0 GJAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000096536660 211343340 /nfs/dbraw/zinc/34/33/40/211343340.db2.gz QRLRWKZFEAJWAR-YFHOEESVSA-N 0 0 396.534 4.754 50 0 GJAARN O=C(/C=C\c1ccc(Cl)cc1Cl)OCC(=O)NCCC1=CCCCC1 ZINC000096488377 211343092 /nfs/dbraw/zinc/34/30/92/211343092.db2.gz YMIMKTCLTBGTFL-CLFYSBASSA-N 0 0 382.287 4.557 50 0 GJAARN CSc1cccc(NC(=O)Nc2cccc(-c3nccnc3N(C)C)c2)c1 ZINC000096400184 211341733 /nfs/dbraw/zinc/34/17/33/211341733.db2.gz CBKFMSCPNOOXFC-UHFFFAOYSA-N 0 0 379.489 4.576 50 0 GJAARN O=C(/C=C\c1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000096402497 211341860 /nfs/dbraw/zinc/34/18/60/211341860.db2.gz SJDNEHVVJIRZHL-YPKPFQOOSA-N 0 0 385.442 4.553 50 0 GJAARN COc1ccc(C(C)=O)cc1COC(=O)C=Cc1cccc(C(F)(F)F)c1 ZINC000096458416 211341309 /nfs/dbraw/zinc/34/13/09/211341309.db2.gz GNTKHQHVNWTGCO-TWGQIWQCSA-N 0 0 378.346 4.673 50 0 GJAARN CC(=O)c1ccc2nc(NC(=O)c3cnc(-c4ccccc4)s3)sc2c1 ZINC000097105637 211358487 /nfs/dbraw/zinc/35/84/87/211358487.db2.gz DASBWXKINSFSCQ-UHFFFAOYSA-N 0 0 379.466 4.875 50 0 GJAARN O=S(=O)(/C=C\c1ccccc1)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000097117891 211358524 /nfs/dbraw/zinc/35/85/24/211358524.db2.gz QUKHGDJYMGIMRC-XPNMMBGKSA-N 0 0 397.471 4.536 50 0 GJAARN O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344080 211335699 /nfs/dbraw/zinc/33/56/99/211335699.db2.gz HKCQHUTUCJWUMD-JOCHJYFZSA-N 0 0 394.559 4.930 50 0 GJAARN Cc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2ccc(C)cc2)o1 ZINC000096332585 211334320 /nfs/dbraw/zinc/33/43/20/211334320.db2.gz RJZHOBRAPSRQCT-UHFFFAOYSA-N 0 0 387.439 4.560 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)c1ccco1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096291962 211331696 /nfs/dbraw/zinc/33/16/96/211331696.db2.gz HTUHPZGPJBIYGU-ABAIWWIYSA-N 0 0 393.365 4.866 50 0 GJAARN CC(C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(F)c1 ZINC000096292876 211331471 /nfs/dbraw/zinc/33/14/71/211331471.db2.gz RYDOWLXSBOBTSL-UHFFFAOYSA-N 0 0 387.842 4.622 50 0 GJAARN CCc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000096294784 211331022 /nfs/dbraw/zinc/33/10/22/211331022.db2.gz CCLQIOJWJHEICP-UHFFFAOYSA-N 0 0 379.460 4.525 50 0 GJAARN Cc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)CC(C)C)n2)c1 ZINC000096293236 211330803 /nfs/dbraw/zinc/33/08/03/211330803.db2.gz RPLAOKIOYUAEPS-UHFFFAOYSA-N 0 0 377.488 4.662 50 0 GJAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096278677 211330380 /nfs/dbraw/zinc/33/03/80/211330380.db2.gz VSRZFZJNRYPAGJ-DNVCBOLYSA-N 0 0 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ZINC000065242365 535193081 /nfs/dbraw/zinc/19/30/81/535193081.db2.gz WNDRIMUEJNTBFX-IBGZPJMESA-N 0 0 395.551 4.551 50 0 GJAARN CCOC(OCC)[C@@H](O)CN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000071769907 535740475 /nfs/dbraw/zinc/74/04/75/535740475.db2.gz PRYSVVKVMMWGFS-INIZCTEOSA-N 0 0 379.909 4.703 50 0 GJAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3C)C2=O)cc1 ZINC000100344614 536664073 /nfs/dbraw/zinc/66/40/73/536664073.db2.gz CXGIOKJSWREWJV-PXLXIMEGSA-N 0 0 398.462 4.952 50 0 GJAARN COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(Br)cc1 ZINC000011358325 536968344 /nfs/dbraw/zinc/96/83/44/536968344.db2.gz CVOBFVJPLZLNAD-UHFFFAOYSA-N 0 0 392.318 4.529 50 0 GJAARN COc1ccc2c(c1)-c1onc(C(=O)NC/C=C(\C)CCC=C(C)C)c1CC2 ZINC000022624256 570210051 /nfs/dbraw/zinc/21/00/51/570210051.db2.gz UQYBBJXKPKYYHN-FOWTUZBSSA-N 0 0 380.488 4.871 50 0 GJAARN O=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000622963 570211102 /nfs/dbraw/zinc/21/11/02/570211102.db2.gz CCMXJYDQPCBJRQ-HXUWFJFHSA-N 0 0 382.822 4.530 50 0 GJAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N21 ZINC000000625314 570211350 /nfs/dbraw/zinc/21/13/50/570211350.db2.gz MXAMHBCJAQWPLN-BMLIUANNSA-N 0 0 399.878 4.580 50 0 GJAARN O=C(OCc1ccccc1)N1CC(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000000626421 570211409 /nfs/dbraw/zinc/21/14/09/570211409.db2.gz HECRUWTZAMPQOS-PKTZIBPZSA-N 0 0 387.435 4.665 50 0 GJAARN Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)c1 ZINC000000629955 570211717 /nfs/dbraw/zinc/21/17/17/570211717.db2.gz SQDXESGTTJTEMK-KCRWFKQWSA-N 0 0 379.459 4.782 50 0 GJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1 ZINC000000629476 570211741 /nfs/dbraw/zinc/21/17/41/570211741.db2.gz ZUIQMJCRKYLAAW-UHFFFAOYSA-N 0 0 391.496 4.727 50 0 aggregator GJAARN COc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)cc1OC ZINC000000628794 570211789 /nfs/dbraw/zinc/21/17/89/570211789.db2.gz SWAQRPVESYNOQG-UHFFFAOYSA-N 0 0 396.493 4.794 50 0 GJAARN COc1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000019736238 570211865 /nfs/dbraw/zinc/21/18/65/570211865.db2.gz PVHISZDUDXEDHM-UHFFFAOYSA-N 0 0 384.520 4.890 50 0 GJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)cc1 ZINC000000634662 570212495 /nfs/dbraw/zinc/21/24/95/570212495.db2.gz GTWIAJVWNZOYLA-UHFFFAOYSA-N 0 0 392.455 4.826 50 0 GJAARN CCOC(=O)c1cc(C(=O)Nc2ccccc2F)c2ccc3ccccc3n12 ZINC000000638889 570213355 /nfs/dbraw/zinc/21/33/55/570213355.db2.gz WJMYXRGZKOXDSG-UHFFFAOYSA-N 0 0 376.387 4.661 50 0 GJAARN COc1ccc2cc([C@@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000000644937 570213927 /nfs/dbraw/zinc/21/39/27/570213927.db2.gz HSIVGVMQAPYDKZ-KRWDZBQOSA-N 0 0 385.876 4.656 50 0 GJAARN O=C(COc1ccc2ccccc2c1Br)N1CCc2ccccc21 ZINC000000671148 570215758 /nfs/dbraw/zinc/21/57/58/570215758.db2.gz CXNHMHPUTDTARX-UHFFFAOYSA-N 0 0 382.257 4.570 50 0 GJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)NCc1ccoc1 ZINC000047842373 570215698 /nfs/dbraw/zinc/21/56/98/570215698.db2.gz JOFGYNFUAZKGSY-KBPBESRZSA-N 0 0 389.883 4.658 50 0 GJAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000000676875 570216048 /nfs/dbraw/zinc/21/60/48/570216048.db2.gz DENOVYSWMHEDID-CYBMUJFWSA-N 0 0 387.501 4.554 50 0 GJAARN O=C(CCc1ccccc1)NC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000000675640 570216121 /nfs/dbraw/zinc/21/61/21/570216121.db2.gz RODARYWYNMWFNH-UHFFFAOYSA-N 0 0 375.497 4.876 50 0 GJAARN CCOc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 ZINC000000682399 570217078 /nfs/dbraw/zinc/21/70/78/570217078.db2.gz UJBPDTFNIXEQSC-UHFFFAOYSA-N 0 0 399.082 4.863 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1cccc(Cl)c1 ZINC000004304998 570218097 /nfs/dbraw/zinc/21/80/97/570218097.db2.gz ZYVDSRLBBLNBBV-IBGZPJMESA-N 0 0 381.863 4.859 50 0 GJAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000000722343 570220391 /nfs/dbraw/zinc/22/03/91/570220391.db2.gz TVZONRQOEKXREY-UHFFFAOYSA-N 0 0 393.306 4.600 50 0 GJAARN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(Cl)cc1C ZINC000015727624 570220516 /nfs/dbraw/zinc/22/05/16/570220516.db2.gz GDPHRRGNWBWEPV-UHFFFAOYSA-N 0 0 384.867 4.736 50 0 GJAARN COc1ccc(-c2noc(CCCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000019816418 570221573 /nfs/dbraw/zinc/22/15/73/570221573.db2.gz YAYRAHNUPSNDIA-UHFFFAOYSA-N 0 0 385.851 4.668 50 0 GJAARN COc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000000730190 570221668 /nfs/dbraw/zinc/22/16/68/570221668.db2.gz LWYSICUFAYPQIM-UHFFFAOYSA-N 0 0 388.496 4.673 50 0 GJAARN CCN(CC)c1ccc(Nc2nc(-c3c(C)nc4ncccn43)cs2)cc1 ZINC000000753703 570222117 /nfs/dbraw/zinc/22/21/17/570222117.db2.gz PKKMYDAKWTWALG-UHFFFAOYSA-N 0 0 378.505 4.751 50 0 GJAARN O=C(CSC(=S)N1CCCCC1)N1c2ccccc2CCc2ccccc21 ZINC000000784983 570223081 /nfs/dbraw/zinc/22/30/81/570223081.db2.gz IKWOHGMSHZSGAX-UHFFFAOYSA-N 0 0 396.581 4.954 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1 ZINC000048262173 570224506 /nfs/dbraw/zinc/22/45/06/570224506.db2.gz QEPHTPDDAHXGMT-HXUWFJFHSA-N 0 0 382.435 4.835 50 0 GJAARN COc1ccccc1C(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000000820640 570225125 /nfs/dbraw/zinc/22/51/25/570225125.db2.gz NFTWXGFERUXIAW-MRXNPFEDSA-N 0 0 387.694 4.542 50 0 GJAARN Cc1cccc2sc(N(Cc3ccco3)C(=O)COc3ccccc3)nc21 ZINC000010527922 570225502 /nfs/dbraw/zinc/22/55/02/570225502.db2.gz SRZIXBSQVNPGMQ-UHFFFAOYSA-N 0 0 378.453 4.810 50 0 GJAARN COc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1OC ZINC000000841335 570226048 /nfs/dbraw/zinc/22/60/48/570226048.db2.gz NSCYRSZBQMXGJO-UHFFFAOYSA-N 0 0 390.852 4.520 50 0 GJAARN CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccs2)cc1 ZINC000000851244 570226495 /nfs/dbraw/zinc/22/64/95/570226495.db2.gz QTLIQSQHKLNHQG-LGMDPLHJSA-N 0 0 398.509 4.618 50 0 GJAARN O=C(C1CCCCC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001457111 570227042 /nfs/dbraw/zinc/22/70/42/570227042.db2.gz OTQOZAKAXWBPIV-UHFFFAOYSA-N 0 0 377.528 4.741 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1C)N(c1ccc(C)cc1)C(=O)C2 ZINC000019880495 570227130 /nfs/dbraw/zinc/22/71/30/570227130.db2.gz WNTASCPSLOCHCZ-VWLOTQADSA-N 0 0 387.479 4.999 50 0 GJAARN O=C(CSc1cc(-c2ccccc2)ncn1)Nc1ccccc1C(F)(F)F ZINC000011903058 570227186 /nfs/dbraw/zinc/22/71/86/570227186.db2.gz MCQOWAKHAOHEDN-UHFFFAOYSA-N 0 0 389.402 4.893 50 0 GJAARN Cc1ccc(Sc2ccc(NC(=O)[C@H]3C[C@H]3c3cnn(C)c3)cc2)cc1C ZINC000048288176 570227924 /nfs/dbraw/zinc/22/79/24/570227924.db2.gz NDTMPTKFDSYKKL-SFTDATJTSA-N 0 0 377.513 4.930 50 0 GJAARN Cc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1 ZINC000000882126 570227983 /nfs/dbraw/zinc/22/79/83/570227983.db2.gz ZQVVYXLYFKQGPC-UHFFFAOYSA-N 0 0 377.307 4.501 50 0 GJAARN CCNc1nc(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nc2ccccc21 ZINC000011572724 570230095 /nfs/dbraw/zinc/23/00/95/570230095.db2.gz FVWYHNLLCRIRLF-AWEZNQCLSA-N 0 0 398.507 4.512 50 0 GJAARN O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1cc(Cl)ccc1Cl ZINC000000941283 570230664 /nfs/dbraw/zinc/23/06/64/570230664.db2.gz AHPMDLFYXNQWPZ-UHFFFAOYSA-N 0 0 385.609 4.568 50 0 GJAARN COc1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000951258 570231055 /nfs/dbraw/zinc/23/10/55/570231055.db2.gz WKHSNGVMOLMNDE-FYWRMAATSA-N 0 0 389.451 4.935 50 0 GJAARN Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)c1cc2ccccc2oc1=O ZINC000000950482 570231153 /nfs/dbraw/zinc/23/11/53/570231153.db2.gz KKBHPWXQGZKLKA-UHFFFAOYSA-N 0 0 384.387 4.552 50 0 GJAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N([C@@H](C)C3CC3)C3CC3)c12 ZINC000048303206 570231589 /nfs/dbraw/zinc/23/15/89/570231589.db2.gz PZAHBSDMISGXAY-AWEZNQCLSA-N 0 0 380.536 4.775 50 0 GJAARN COc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1F ZINC000044031541 570231718 /nfs/dbraw/zinc/23/17/18/570231718.db2.gz GQEBLECRILGWRN-AWEZNQCLSA-N 0 0 387.455 4.702 50 0 GJAARN COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1F ZINC000012818436 570232110 /nfs/dbraw/zinc/23/21/10/570232110.db2.gz DCTBDKGGQIQFIX-UHFFFAOYSA-N 0 0 382.416 4.634 50 0 GJAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1C[C@@H](C)CC2 ZINC000000985771 570233408 /nfs/dbraw/zinc/23/34/08/570233408.db2.gz XOXORYWDPAORNU-ZDUSSCGKSA-N 0 0 388.558 4.536 50 0 GJAARN CCCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004816586 570233685 /nfs/dbraw/zinc/23/36/85/570233685.db2.gz IAXGXIUYDAXKDR-WOJBJXKFSA-N 0 0 378.451 4.593 50 0 GJAARN Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1C ZINC000000990823 570233740 /nfs/dbraw/zinc/23/37/40/570233740.db2.gz IFLCULUTHIYFKY-UHFFFAOYSA-N 0 0 387.435 4.595 50 0 GJAARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000000992000 570233752 /nfs/dbraw/zinc/23/37/52/570233752.db2.gz FRLGARQCPSJTIT-QGZVFWFLSA-N 0 0 387.435 4.676 50 0 GJAARN Cc1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(C)n1C1CC1 ZINC000048300218 570234022 /nfs/dbraw/zinc/23/40/22/570234022.db2.gz WCPVIUCLCRAKEV-AWEZNQCLSA-N 0 0 383.423 4.855 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nncs1 ZINC000001018831 570235573 /nfs/dbraw/zinc/23/55/73/570235573.db2.gz UWNVWYJZHOJCKF-UHFFFAOYSA-N 0 0 394.481 4.591 50 0 GJAARN Cc1cc2[nH]c(C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2c(C)c1 ZINC000001033452 570236122 /nfs/dbraw/zinc/23/61/22/570236122.db2.gz XOIABVHXYJSPGR-UHFFFAOYSA-N 0 0 378.447 4.659 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000001037999 570237293 /nfs/dbraw/zinc/23/72/93/570237293.db2.gz JVFHOAITDFPJNK-GFCCVEGCSA-N 0 0 394.393 4.874 50 0 GJAARN O=C(COc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000023312447 570237292 /nfs/dbraw/zinc/23/72/92/570237292.db2.gz NDNQOIKQBXKSSS-HSZRJFAPSA-N 0 0 377.871 4.893 50 0 GJAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccc(SC(F)F)cc1 ZINC000048333010 570237374 /nfs/dbraw/zinc/23/73/74/570237374.db2.gz YOLWPCJFHCKAKT-UHFFFAOYSA-N 0 0 391.443 4.672 50 0 GJAARN CCc1c(O)c(Cc2ccccc2)c(=O)n(-c2nccs2)c1-c1ccccc1 ZINC000001041293 570237527 /nfs/dbraw/zinc/23/75/27/570237527.db2.gz DHYGRGNCDRODHI-UHFFFAOYSA-N 0 0 388.492 4.820 50 0 GJAARN COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3)o2)c1 ZINC000001043475 570237922 /nfs/dbraw/zinc/23/79/22/570237922.db2.gz NKRPCSCOZWAFSH-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN COc1nccc(C(F)(F)F)c1C(=O)NCc1c(C)cc(Cl)cc1Cl ZINC000001043051 570237960 /nfs/dbraw/zinc/23/79/60/570237960.db2.gz FNRQIVHNSKEOFZ-UHFFFAOYSA-N 0 0 393.192 4.654 50 0 GJAARN CCOC(=O)c1c(C)noc1-c1csc(COc2cccc(Cl)c2)n1 ZINC000001048030 570238285 /nfs/dbraw/zinc/23/82/85/570238285.db2.gz XVLITWNCCSKNDQ-UHFFFAOYSA-N 0 0 378.837 4.516 50 0 GJAARN Cn1nc(OC(C)(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000001046991 570238287 /nfs/dbraw/zinc/23/82/87/570238287.db2.gz YZHWMTUGAFVHQC-UHFFFAOYSA-N 0 0 396.196 4.542 50 0 GJAARN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2ccccc2)cc1 ZINC000006083000 570238888 /nfs/dbraw/zinc/23/88/88/570238888.db2.gz JYRFMXRFHSDNSC-UHFFFAOYSA-N 0 0 398.384 4.741 50 0 GJAARN CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000001064205 570239848 /nfs/dbraw/zinc/23/98/48/570239848.db2.gz FQDRWSDZTSEMFO-UHFFFAOYSA-N 0 0 392.290 4.581 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1CCc1ccccc1 ZINC000001066044 570239881 /nfs/dbraw/zinc/23/98/81/570239881.db2.gz KPAJPWZWXWRDAW-UHFFFAOYSA-N 0 0 398.506 4.960 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2s1 ZINC000001071904 570240776 /nfs/dbraw/zinc/24/07/76/570240776.db2.gz LNFGTZOKOYEOQL-UHFFFAOYSA-N 0 0 378.906 4.998 50 0 GJAARN Cc1c(C[NH2+]Cc2cccs2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777041 570241660 /nfs/dbraw/zinc/24/16/60/570241660.db2.gz XPVBSUAUIIUNDS-UHFFFAOYSA-N 0 0 388.920 4.856 50 0 GJAARN C[C@H](NC(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 ZINC000001084517 570241687 /nfs/dbraw/zinc/24/16/87/570241687.db2.gz FABYJJXWDNRPJA-ZDUSSCGKSA-N 0 0 387.555 4.633 50 0 GJAARN O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(Oc2ccccc2)cc1 ZINC000001104805 570242061 /nfs/dbraw/zinc/24/20/61/570242061.db2.gz WINQGTVSYGXJCD-UHFFFAOYSA-N 0 0 389.436 4.899 50 0 GJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2)c1 ZINC000001110552 570242666 /nfs/dbraw/zinc/24/26/66/570242666.db2.gz PRPDSNQBCIWAMF-UHFFFAOYSA-N 0 0 387.414 4.939 50 0 GJAARN CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCCC2 ZINC000001118288 570243375 /nfs/dbraw/zinc/24/33/75/570243375.db2.gz JHADJTDOPBBPEA-UHFFFAOYSA-N 0 0 389.542 4.925 50 0 GJAARN O=C(COc1ccccc1)Nc1nnc(SCc2cccc(Cl)c2)s1 ZINC000001129344 570245048 /nfs/dbraw/zinc/24/50/48/570245048.db2.gz HLLDHRLGRYHITA-UHFFFAOYSA-N 0 0 391.905 4.501 50 0 GJAARN COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1 ZINC000097532229 570245636 /nfs/dbraw/zinc/24/56/36/570245636.db2.gz DENGDLVZAOWXNX-UHFFFAOYSA-N 0 0 381.476 4.622 50 0 GJAARN COc1cccc(CN(C)Cc2c(C)noc2C)c1OCc1cccc(F)c1 ZINC000097572196 570246659 /nfs/dbraw/zinc/24/66/59/570246659.db2.gz VXTWVRDQQADKIQ-UHFFFAOYSA-N 0 0 384.451 4.650 50 0 GJAARN COc1ccc(CN(CC[C@H](c2ccco2)c2ccc(F)cc2)C(C)=O)cc1 ZINC000001134936 570247069 /nfs/dbraw/zinc/24/70/69/570247069.db2.gz NPFFNDGBTFGJQT-QFIPXVFZSA-N 0 0 381.447 4.998 50 0 GJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000001142451 570247846 /nfs/dbraw/zinc/24/78/46/570247846.db2.gz LCFZPNIUSOPLMA-UHFFFAOYSA-N 0 0 388.492 4.702 50 0 GJAARN Cc1nn(S(=O)(=O)c2cccs2)c(C)c1Sc1ccc(Cl)cc1 ZINC000001156353 570250266 /nfs/dbraw/zinc/25/02/66/570250266.db2.gz ASBDZDXMFAPQRS-UHFFFAOYSA-N 0 0 384.935 4.603 50 0 GJAARN CCCc1cc(-c2onc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OC ZINC000001507738 570252821 /nfs/dbraw/zinc/25/28/21/570252821.db2.gz TZMABIVWHXUBKR-UHFFFAOYSA-N 0 0 381.428 4.755 50 0 biogenic GJAARN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000001172842 570253383 /nfs/dbraw/zinc/25/33/83/570253383.db2.gz KNVHMGOAMBXYLG-UHFFFAOYSA-N 0 0 380.469 4.580 50 0 GJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccc(OC)cc2)CO1 ZINC000020403802 570254274 /nfs/dbraw/zinc/25/42/74/570254274.db2.gz OIJPRIUNLNWEAM-UHFFFAOYSA-N 0 0 399.874 4.760 50 0 GJAARN O=C(Nc1ccc2c(c1)COC2=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000020436247 570255636 /nfs/dbraw/zinc/25/56/36/570255636.db2.gz LIFVSVZZHNSPDZ-UHFFFAOYSA-N 0 0 377.440 4.670 50 0 GJAARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000001182510 570255894 /nfs/dbraw/zinc/25/58/94/570255894.db2.gz XADCXRNAFUCPSM-NRFANRHFSA-N 0 0 377.488 4.693 50 0 GJAARN CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000001185829 570256582 /nfs/dbraw/zinc/25/65/82/570256582.db2.gz AMCNAFFNBFRBCT-UHFFFAOYSA-N 0 0 384.819 4.836 50 0 GJAARN CCOc1ccc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000001191868 570256873 /nfs/dbraw/zinc/25/68/73/570256873.db2.gz KVPYZXSLNMCUNX-UHFFFAOYSA-N 0 0 388.876 4.688 50 0 GJAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(Br)cc1)CCCC3 ZINC000001228450 570259237 /nfs/dbraw/zinc/25/92/37/570259237.db2.gz USJRVLYPGMAAMN-UHFFFAOYSA-N 0 0 387.302 4.751 50 0 GJAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N=c2[nH]c3ccccc3s2)cc1 ZINC000001262358 570259675 /nfs/dbraw/zinc/25/96/75/570259675.db2.gz VCBZJAAOTYPFEA-UHFFFAOYSA-N 0 0 387.464 4.531 50 0 GJAARN CCOc1ccc(NC(=O)Nc2nnc(CSc3ccccc3)s2)cc1 ZINC000001239307 570259707 /nfs/dbraw/zinc/25/97/07/570259707.db2.gz MTVGHDRUFXYZLN-UHFFFAOYSA-N 0 0 386.502 4.873 50 0 GJAARN CNC(=O)c1cc(Nc2nnc(-c3ccc(C)cc3)c3ccccc23)ccc1OC ZINC000001243373 570259719 /nfs/dbraw/zinc/25/97/19/570259719.db2.gz LULSKHIYHQTDLR-UHFFFAOYSA-N 0 0 398.466 4.717 50 0 GJAARN O=C(c1ccccc1C(F)(F)F)N1CCC(COCc2ccccc2)CC1 ZINC000049028699 570260396 /nfs/dbraw/zinc/26/03/96/570260396.db2.gz POPTVBIGROYEDE-UHFFFAOYSA-N 0 0 377.406 4.774 50 0 GJAARN COc1ccc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc32)cc1Cl ZINC000049004496 570262108 /nfs/dbraw/zinc/26/21/08/570262108.db2.gz NJFJLIONFOAVEY-UHFFFAOYSA-N 0 0 385.851 4.909 50 0 GJAARN CCOC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 ZINC000001426021 570262786 /nfs/dbraw/zinc/26/27/86/570262786.db2.gz NZOPHYBTDFCWAE-UHFFFAOYSA-N 0 0 393.409 4.600 50 0 GJAARN COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC ZINC000001429039 570262832 /nfs/dbraw/zinc/26/28/32/570262832.db2.gz PUFQMHLZUQAOPO-UHFFFAOYSA-N 0 0 375.468 4.656 50 0 GJAARN O=C(NCc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000098073320 570263186 /nfs/dbraw/zinc/26/31/86/570263186.db2.gz AWHFPWZADDSXBI-UHFFFAOYSA-N 0 0 380.285 4.897 50 0 GJAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(Cl)c1 ZINC000001432963 570263189 /nfs/dbraw/zinc/26/31/89/570263189.db2.gz RBQQOSHSICCNKE-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN Cc1cc(OCc2nc(-c3ccc(Br)o3)no2)cc(C)c1Cl ZINC000001440799 570263207 /nfs/dbraw/zinc/26/32/07/570263207.db2.gz IEFFGHUUMJKZEH-UHFFFAOYSA-N 0 0 383.629 4.941 50 0 GJAARN Cc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c(C)c1 ZINC000098211269 570263825 /nfs/dbraw/zinc/26/38/25/570263825.db2.gz SBXHMFCMOINEAB-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000098211010 570263924 /nfs/dbraw/zinc/26/39/24/570263924.db2.gz CCBNABYLCKBLAB-UHFFFAOYSA-N 0 0 377.872 4.580 50 0 GJAARN Cc1oc(-c2cccc(F)c2F)nc1CN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000020537069 570266361 /nfs/dbraw/zinc/26/63/61/570266361.db2.gz RRHNGCKUNMOHSM-UHFFFAOYSA-N 0 0 386.377 4.576 50 0 GJAARN COc1cccc2cc(C(=O)N3CCC(COCc4ccccc4)CC3)oc21 ZINC000049445603 570267524 /nfs/dbraw/zinc/26/75/24/570267524.db2.gz MIICHLWFQVNBMV-UHFFFAOYSA-N 0 0 379.456 4.510 50 0 GJAARN Cc1cccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)c1C ZINC000015825443 570267520 /nfs/dbraw/zinc/26/75/20/570267520.db2.gz SPBYQEARAJHADN-UHFFFAOYSA-N 0 0 385.920 4.932 50 0 GJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)COc1ccc(Cl)cc1 ZINC000022629926 570268775 /nfs/dbraw/zinc/26/87/75/570268775.db2.gz OYGQWMLMUJXNHC-UHFFFAOYSA-N 0 0 381.881 4.719 50 0 GJAARN Nc1c(C(=O)Nc2nccs2)sc2nc3c(c(-c4ccco4)c12)CCCC3 ZINC000001826838 570269299 /nfs/dbraw/zinc/26/92/99/570269299.db2.gz GPMJVDLWPNFQIO-UHFFFAOYSA-N 0 0 396.497 4.726 50 0 GJAARN CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(OC)cc1OC ZINC000049548717 570269468 /nfs/dbraw/zinc/26/94/68/570269468.db2.gz NUWRFHXSUGBNCQ-UHFFFAOYSA-N 0 0 385.489 4.546 50 0 GJAARN O=C(CSC(=S)N1CCCCC1)N(C1CCCCC1)C1CCCCC1 ZINC000043214990 570271468 /nfs/dbraw/zinc/27/14/68/570271468.db2.gz QEZOJRPRYKKMMW-UHFFFAOYSA-N 0 0 382.639 4.984 50 0 GJAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(CC)cc4)cc3n2)cc1 ZINC000020610225 570272201 /nfs/dbraw/zinc/27/22/01/570272201.db2.gz WWMWHKAJYFROTO-UHFFFAOYSA-N 0 0 386.455 4.634 50 0 GJAARN CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000020662146 570274503 /nfs/dbraw/zinc/27/45/03/570274503.db2.gz SMSYGBLMGBDMQI-UHFFFAOYSA-N 0 0 377.879 4.804 50 0 GJAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(F)cc2)cc1 ZINC000526056085 570274781 /nfs/dbraw/zinc/27/47/81/570274781.db2.gz RIAFGVVBZWDYLI-IBGZPJMESA-N 0 0 384.451 4.831 50 0 GJAARN O=c1c2c(n3cnnc3n1C1CCCCC1)-c1ccccc1CC21CCCCC1 ZINC000002183174 570277569 /nfs/dbraw/zinc/27/75/69/570277569.db2.gz XQBXSCWJVXBYEX-UHFFFAOYSA-N 0 0 388.515 4.821 50 0 GJAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(C)cc(C)c3)C2=O)cc1 ZINC000002213901 570279081 /nfs/dbraw/zinc/27/90/81/570279081.db2.gz WYIJNDYHDMUUGT-HZHRSRAPSA-N 0 0 398.462 4.952 50 0 GJAARN Cc1ccc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc1 ZINC000002224189 570279436 /nfs/dbraw/zinc/27/94/36/570279436.db2.gz IVSVNDWTAFHGCU-UHFFFAOYSA-N 0 0 382.055 4.910 50 0 GJAARN CCCOc1ccc(C[C@H]2c3cc(Br)ccc3N(CC)C2=O)cc1 ZINC000101014095 570280528 /nfs/dbraw/zinc/28/05/28/570280528.db2.gz YYTJGHPMJXOERP-SFHVURJKSA-N 0 0 388.305 4.931 50 0 GJAARN COc1ccc(C[C@H]2c3ccccc3N(c3ccccc3)C2=O)c(OC)c1OC ZINC000101015017 570280552 /nfs/dbraw/zinc/28/05/52/570280552.db2.gz ZPXOUOFQHIZTAT-IBGZPJMESA-N 0 0 389.451 4.717 50 0 GJAARN CCOC(=O)C(=O)N1c2c(C)cccc2-c2c(=S)ssc2C1(C)C ZINC000002290585 570281291 /nfs/dbraw/zinc/28/12/91/570281291.db2.gz REEUNPUFWUWSEP-UHFFFAOYSA-N 0 0 379.528 4.659 50 0 GJAARN O=C(NC1CCCCC1)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000002303587 570281961 /nfs/dbraw/zinc/28/19/61/570281961.db2.gz YACBSSHPBCBCQZ-UHFFFAOYSA-N 0 0 394.422 4.539 50 0 GJAARN COc1ccc(CCNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000020836978 570281971 /nfs/dbraw/zinc/28/19/71/570281971.db2.gz UKTDDVZZCASRLB-UHFFFAOYSA-N 0 0 394.085 4.676 50 0 GJAARN CC(=O)N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000002322987 570282565 /nfs/dbraw/zinc/28/25/65/570282565.db2.gz CNYNKHLPLRDOFL-SECBINFHSA-N 0 0 384.012 4.603 50 0 GJAARN CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2F)o1 ZINC000015881563 570282762 /nfs/dbraw/zinc/28/27/62/570282762.db2.gz JCNXMYLPRHGTES-UHFFFAOYSA-N 0 0 392.434 4.668 50 0 GJAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccccc3F)C(=O)NC(C)(C)C)C2)cc1 ZINC000006777211 570283794 /nfs/dbraw/zinc/28/37/94/570283794.db2.gz ZNSOFTHEJGQDAO-IBGZPJMESA-N 0 0 397.494 4.637 50 0 GJAARN O=C(CC1=CCCCC1)N1CCC[C@@H]1c1ccc(C(=O)Nc2ccncc2)s1 ZINC000020909461 570283999 /nfs/dbraw/zinc/28/39/99/570283999.db2.gz HOLAPSDWHGMASV-GOSISDBHSA-N 0 0 395.528 4.949 50 0 GJAARN CCOc1cc(CN(c2ncnc3sccc32)C2CC2)ccc1OC(F)F ZINC000012883177 570284363 /nfs/dbraw/zinc/28/43/63/570284363.db2.gz AHYLBGICESFZKP-UHFFFAOYSA-N 0 0 391.443 4.860 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)SC2 ZINC000002373186 570284747 /nfs/dbraw/zinc/28/47/47/570284747.db2.gz SQBHJFWLOCGNTH-UHFFFAOYSA-N 0 0 375.515 4.745 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808373 570285552 /nfs/dbraw/zinc/28/55/52/570285552.db2.gz NOASHMCDMRNCCT-UHFFFAOYSA-N 0 0 389.885 4.608 50 0 GJAARN COc1ccccc1OCC(=O)Nc1sc(SC)nc1-c1ccccc1 ZINC000012890449 570285850 /nfs/dbraw/zinc/28/58/50/570285850.db2.gz RAFQLSZAKXTRIH-UHFFFAOYSA-N 0 0 386.498 4.558 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@H](NCCOc1ccccc1F)c1ccccc1 ZINC000014074884 570286092 /nfs/dbraw/zinc/28/60/92/570286092.db2.gz BPJHFLYBOZLCBT-HSZRJFAPSA-N 0 0 388.442 4.900 50 0 GJAARN O=C1C[C@H](c2ccccc2Cl)Cc2nc(N3CCc4ccccc43)ncc21 ZINC000002435013 570287046 /nfs/dbraw/zinc/28/70/46/570287046.db2.gz PWUCEIORIXZWDQ-OAHLLOKOSA-N 0 0 375.859 4.737 50 0 GJAARN CC(C)Oc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000000662809 570287186 /nfs/dbraw/zinc/28/71/86/570287186.db2.gz NTQWVPFMZIZWSS-YVLHZVERSA-N 0 0 386.245 4.581 50 0 GJAARN CCc1ccc(CN2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1 ZINC000021038611 570287813 /nfs/dbraw/zinc/28/78/13/570287813.db2.gz FXUMYPOXYLJCDV-UHFFFAOYSA-N 0 0 380.442 4.619 50 0 GJAARN CC(C)(C)C(=O)CNC(=O)c1ccccc1SCc1cc(-c2ccco2)on1 ZINC000012902374 570288036 /nfs/dbraw/zinc/28/80/36/570288036.db2.gz BQEVTHMOGMEWSP-UHFFFAOYSA-N 0 0 398.484 4.572 50 0 GJAARN O=C(c1cnc(-c2ccccc2)s1)N(c1cccc(F)c1)C1CCOCC1 ZINC000150946686 570288820 /nfs/dbraw/zinc/28/88/20/570288820.db2.gz GHFBIPIALQLDMV-UHFFFAOYSA-N 0 0 382.460 4.775 50 0 GJAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000012903120 570289113 /nfs/dbraw/zinc/28/91/13/570289113.db2.gz AFLLWMCGNJCPJV-UHFFFAOYSA-N 0 0 382.363 4.525 50 0 GJAARN O=C(N[C@H](CCO)c1cccs1)OCC1c2ccccc2-c2ccccc21 ZINC000002530216 570289891 /nfs/dbraw/zinc/28/98/91/570289891.db2.gz BTSIWOFTHKONFH-HXUWFJFHSA-N 0 0 379.481 4.710 50 0 GJAARN c1csc(-c2cc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)no2)c1 ZINC000012906043 570289917 /nfs/dbraw/zinc/28/99/17/570289917.db2.gz YYRSBANAROZYIN-HNNXBMFYSA-N 0 0 399.453 4.591 50 0 GJAARN Cc1ccccc1[C@@H](CCO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002535308 570290441 /nfs/dbraw/zinc/29/04/41/570290441.db2.gz BNVMCPRAJZFRRG-XMMPIXPASA-N 0 0 387.479 4.957 50 0 GJAARN Brc1ccc2c(c1)c1cc(Br)ccc1n2C[C@@H]1CO1 ZINC000002559118 570290664 /nfs/dbraw/zinc/29/06/64/570290664.db2.gz DGMRGIDWASSLGY-LLVKDONJSA-N 0 0 381.067 4.718 50 0 GJAARN Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(C)c(C)c3)c2c1C ZINC000021540417 570292383 /nfs/dbraw/zinc/29/23/83/570292383.db2.gz UXUAYRVLCSVWQX-UHFFFAOYSA-N 0 0 383.517 4.549 50 0 GJAARN CCOP(=O)(OCC)C(NC(=O)c1ccc(Cl)cc1)=C(Cl)Cl ZINC000002674918 570294790 /nfs/dbraw/zinc/29/47/90/570294790.db2.gz LLQXZNLVEOVESN-UHFFFAOYSA-N 0 0 386.599 4.940 50 0 GJAARN CCC[C@H](C)NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000021734089 570295286 /nfs/dbraw/zinc/29/52/86/570295286.db2.gz LGRZXRNPZKWMRO-AWEZNQCLSA-N 0 0 399.874 4.797 50 0 GJAARN C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000012925029 570295998 /nfs/dbraw/zinc/29/59/98/570295998.db2.gz IALDNVGEUQYIAY-CYBMUJFWSA-N 0 0 382.362 4.766 50 0 GJAARN O=C(NCc1cccn1Cc1ccccc1)Nc1cccc(Br)c1 ZINC000006917702 570297060 /nfs/dbraw/zinc/29/70/60/570297060.db2.gz LCBDBPNFGTUWHC-UHFFFAOYSA-N 0 0 384.277 4.621 50 0 GJAARN CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000010801305 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Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C)c2ncccc12 ZINC000000808154 570348737 /nfs/dbraw/zinc/34/87/37/570348737.db2.gz AKUSZRIWFCZHPE-UHFFFAOYSA-N 0 0 376.847 4.943 50 0 GJAARN CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1 ZINC000024924526 570349094 /nfs/dbraw/zinc/34/90/94/570349094.db2.gz XBVYVSVXJHCZBB-UHFFFAOYSA-N 0 0 389.883 4.909 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)cc1 ZINC000035398136 570349360 /nfs/dbraw/zinc/34/93/60/570349360.db2.gz CZQVELPOOBXYML-FQEVSTJZSA-N 0 0 386.499 4.616 50 0 GJAARN CCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000004875241 570353182 /nfs/dbraw/zinc/35/31/82/570353182.db2.gz HGCYSEXWPDONBL-UHFFFAOYSA-N 0 0 395.452 4.955 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccc2)cc1 ZINC000003997662 570353874 /nfs/dbraw/zinc/35/38/74/570353874.db2.gz AKQCKNGCQIGRTL-UHFFFAOYSA-N 0 0 380.391 4.605 50 0 GJAARN O=C(NCc1ccoc1)c1ccc([C@@H]2CCCN2Cc2ccccc2F)s1 ZINC000023367974 570357191 /nfs/dbraw/zinc/35/71/91/570357191.db2.gz RNIWONAUBOKIGA-SFHVURJKSA-N 0 0 384.476 4.747 50 0 GJAARN CC(=O)O[C@@H]1C[C@H]2CCCC[C@]2(C)[C@H]2C[C@@H](O)[C@](C)(C3SCCS3)C[C@H]12 ZINC000004114359 570358026 /nfs/dbraw/zinc/35/80/26/570358026.db2.gz GEFRKHXTFACOQE-RBJBKSPJSA-N 0 0 398.634 4.718 50 0 GJAARN COc1ccc(CCC(=O)NCCc2cn(C(C)C)c3ccccc23)cc1OC ZINC000604405218 570361833 /nfs/dbraw/zinc/36/18/33/570361833.db2.gz NJTZVVPGCOZWSB-UHFFFAOYSA-N 0 0 394.515 4.531 50 0 biogenic GJAARN Cc1ccc2cc3cc(C(=O)N4CCN(c5cccc(C)c5C)CC4)oc3nc2c1 ZINC000004906786 570362841 /nfs/dbraw/zinc/36/28/41/570362841.db2.gz KSEXEADPBWCCEZ-UHFFFAOYSA-N 0 0 399.494 4.869 50 0 GJAARN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)CCCn4cccc4)n3)c2c1 ZINC000604418763 570362872 /nfs/dbraw/zinc/36/28/72/570362872.db2.gz AKVLBAZWDRTUDF-UHFFFAOYSA-N 0 0 394.500 4.829 50 0 GJAARN CCOc1ccccc1N1CCN(Cn2c3ccccc3sc2=S)CC1 ZINC000023479633 570363617 /nfs/dbraw/zinc/36/36/17/570363617.db2.gz ULSXVEBPKSXSHG-UHFFFAOYSA-N 0 0 385.558 4.611 50 0 GJAARN CCc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000004915699 570365094 /nfs/dbraw/zinc/36/50/94/570365094.db2.gz PMVCWXXIKFMNQM-HSZRJFAPSA-N 0 0 386.451 4.744 50 0 GJAARN Cn1cc([C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)Cc3ccccc32)cn1 ZINC000575619007 570365580 /nfs/dbraw/zinc/36/55/80/570365580.db2.gz LAQLVVHAEIGXMJ-QGZVFWFLSA-N 0 0 386.282 4.515 50 0 GJAARN Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)Cc3ccccc32)cn1 ZINC000575618998 570365626 /nfs/dbraw/zinc/36/56/26/570365626.db2.gz LAQLVVHAEIGXMJ-KRWDZBQOSA-N 0 0 386.282 4.515 50 0 GJAARN Cc1cc(C)n2nc(CN(C(=O)C3CCCCC3)c3cccc(Cl)c3)nc2n1 ZINC000035476746 570365936 /nfs/dbraw/zinc/36/59/36/570365936.db2.gz ICLFBHMIOXQXPY-UHFFFAOYSA-N 0 0 397.910 4.508 50 0 GJAARN O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(Oc2nccs2)cc1 ZINC000575619889 570368443 /nfs/dbraw/zinc/36/84/43/570368443.db2.gz HJCHFLRDDHQPRU-UHFFFAOYSA-N 0 0 377.425 4.520 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575621590 570369988 /nfs/dbraw/zinc/36/99/88/570369988.db2.gz ZCRAEKCCEMLZKE-UHFFFAOYSA-N 0 0 381.863 4.557 50 0 GJAARN O=C(NCc1cncc(-c2ccoc2)c1)c1cccc(OCc2ccccc2)c1 ZINC000575621632 570370111 /nfs/dbraw/zinc/37/01/11/570370111.db2.gz ZMKLESQPXYHZRY-UHFFFAOYSA-N 0 0 384.435 4.851 50 0 GJAARN Cc1ccccc1OC(=O)NCCCCCCNC(=O)Oc1ccccc1C ZINC000004358297 570370335 /nfs/dbraw/zinc/37/03/35/570370335.db2.gz BAYXEUGGWRMYEF-UHFFFAOYSA-N 0 0 384.476 4.741 50 0 GJAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC ZINC000004926569 570370841 /nfs/dbraw/zinc/37/08/41/570370841.db2.gz PNHNFXBHFOXSEZ-UHFFFAOYSA-N 0 0 398.547 4.588 50 0 GJAARN O=C(COc1ccccc1Cc1ccccc1)NCCOc1ccc(Cl)cc1 ZINC000008279926 570371265 /nfs/dbraw/zinc/37/12/65/570371265.db2.gz ZFEWJDRMFBZEHN-UHFFFAOYSA-N 0 0 395.886 4.505 50 0 GJAARN CCCCOc1ccc([C@H](C)NC(=O)/C=C2\Sc3ccccc3NC2=O)cc1 ZINC000004931841 570373005 /nfs/dbraw/zinc/37/30/05/570373005.db2.gz FMIFYJYSPXWJLP-CPOQMQJTSA-N 0 0 396.512 4.671 50 0 GJAARN COc1ccc(-c2nc(C(=O)N3CCCSc4ccccc43)c(C)o2)cc1 ZINC000118194064 570374000 /nfs/dbraw/zinc/37/40/00/570374000.db2.gz RXNWQWRVMMZBSZ-UHFFFAOYSA-N 0 0 380.469 4.801 50 0 GJAARN CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000825859 570375766 /nfs/dbraw/zinc/37/57/66/570375766.db2.gz QZNQTLPLRIJJML-GDKCJGSASA-N 0 0 397.302 4.743 50 0 GJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3)c3ccc(C)cc3c2=O)cc1 ZINC000004936848 570375908 /nfs/dbraw/zinc/37/59/08/570375908.db2.gz JIVADXKXPLJUMK-UHFFFAOYSA-N 0 0 397.474 4.988 50 0 GJAARN Cc1cccc(-c2ccc(CN3CCCn4nc([C@@H](O)C5CC5)cc4C3)cc2)c1 ZINC000219864460 570376793 /nfs/dbraw/zinc/37/67/93/570376793.db2.gz PEKVGBZOOLOKIE-VWLOTQADSA-N 0 0 387.527 4.708 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000006315738 570376850 /nfs/dbraw/zinc/37/68/50/570376850.db2.gz PGPFYCYMLAJCBX-UHFFFAOYSA-N 0 0 389.480 4.873 50 0 GJAARN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000004481835 570377679 /nfs/dbraw/zinc/37/76/79/570377679.db2.gz NQWBGVZXPXWNFI-QNGOZBTKSA-N 0 0 383.403 4.559 50 0 GJAARN CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 ZINC000004487800 570378077 /nfs/dbraw/zinc/37/80/77/570378077.db2.gz ZBAKUVAGRGRGFL-UHFFFAOYSA-N 0 0 380.469 4.824 50 0 GJAARN Cc1ccc2nc(Cl)c3cc(C(=O)NCCCOC(C)C)sc3c2c1 ZINC000004961603 570382976 /nfs/dbraw/zinc/38/29/76/570382976.db2.gz IYAHMUGPRBBPKO-UHFFFAOYSA-N 0 0 376.909 4.956 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024383883 570383145 /nfs/dbraw/zinc/38/31/45/570383145.db2.gz HAYDMKHLPBEIRM-KRWDZBQOSA-N 0 0 390.464 4.770 50 0 GJAARN NC(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)c1 ZINC000024401229 570383454 /nfs/dbraw/zinc/38/34/54/570383454.db2.gz QBXNTCHNZKJSPF-UHFFFAOYSA-N 0 0 381.819 4.875 50 0 GJAARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000004546543 570383492 /nfs/dbraw/zinc/38/34/92/570383492.db2.gz XCDDDCHOSACHJL-CIAFOILYSA-N 0 0 391.373 4.888 50 0 GJAARN COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000115773195 570383902 /nfs/dbraw/zinc/38/39/02/570383902.db2.gz FAIPTLMPAKGMMP-FQEVSTJZSA-N 0 0 388.471 4.830 50 0 GJAARN Cc1ccc(CNC(=S)Nc2ccc3nc(N4CCCC4)cc(C)c3c2)cc1 ZINC000004969790 570384678 /nfs/dbraw/zinc/38/46/78/570384678.db2.gz LRINXDKGAKRQCX-UHFFFAOYSA-N 0 0 390.556 4.938 50 0 GJAARN O=C1CS[C@@H](c2ccccc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004568420 570384929 /nfs/dbraw/zinc/38/49/29/570384929.db2.gz PEMBPQVFLYWUOU-TYUXRXASSA-N 0 0 397.569 4.785 50 0 aggregator GJAARN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000004081898 570386697 /nfs/dbraw/zinc/38/66/97/570386697.db2.gz FWOFSGVAIHDXDD-YNGNSYOXSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN COc1cc2c(cc1NC(=S)NC(=O)c1cccs1)oc1ccccc12 ZINC000004624083 570388409 /nfs/dbraw/zinc/38/84/09/570388409.db2.gz DDOGBGORYQTBJO-UHFFFAOYSA-N 0 0 382.466 4.783 50 0 GJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 ZINC000004627687 570388716 /nfs/dbraw/zinc/38/87/16/570388716.db2.gz VTADXJRQKMHKAZ-DJIMGWMZSA-N 0 0 396.556 4.740 50 0 GJAARN CC(C)Oc1ccc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)cc1 ZINC000032095807 570388846 /nfs/dbraw/zinc/38/88/46/570388846.db2.gz ZZIOQQQNLMGWHJ-UHFFFAOYSA-N 0 0 387.439 4.607 50 0 GJAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000012877946 570389531 /nfs/dbraw/zinc/38/95/31/570389531.db2.gz UOGVUQZHAFLJIR-NCZGREMUSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN Cc1onc(-c2cccc(Br)c2)c1C(=O)Nc1cccc(F)c1 ZINC000035536378 570390495 /nfs/dbraw/zinc/39/04/95/570390495.db2.gz AFBBCYVIUBVYSN-UHFFFAOYSA-N 0 0 375.197 4.804 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(OC(F)F)c1 ZINC000024746523 570391022 /nfs/dbraw/zinc/39/10/22/570391022.db2.gz HBTZCVCHJIDEOF-UHFFFAOYSA-N 0 0 388.395 4.599 50 0 GJAARN COC(=O)C1(NC(=O)Nc2cc3c(cc2OC)oc2ccccc23)CCCCC1 ZINC000004995056 570391665 /nfs/dbraw/zinc/39/16/65/570391665.db2.gz VJFNHPUFXUFRHK-UHFFFAOYSA-N 0 0 396.443 4.592 50 0 GJAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000035539914 570391803 /nfs/dbraw/zinc/39/18/03/570391803.db2.gz YUXHEXAFWMZDNL-UHFFFAOYSA-N 0 0 390.443 4.605 50 0 GJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1 ZINC000032593793 570393213 /nfs/dbraw/zinc/39/32/13/570393213.db2.gz ZOBPQDJQGUWLPR-UHFFFAOYSA-N 0 0 380.292 4.590 50 0 GJAARN Cc1cccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000035528853 570393463 /nfs/dbraw/zinc/39/34/63/570393463.db2.gz VCLFJOVLEGXTIB-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000035528845 570393507 /nfs/dbraw/zinc/39/35/07/570393507.db2.gz VEWKCYXCEKTCLK-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)c1 ZINC000035555043 570395508 /nfs/dbraw/zinc/39/55/08/570395508.db2.gz GUPNIEBJTCSSMS-UHFFFAOYSA-N 0 0 399.472 4.644 50 0 GJAARN Cc1nc2cccnc2n1-c1cc(C(=O)NCc2ccc(C)cc2)ccc1Cl ZINC000032932159 570397289 /nfs/dbraw/zinc/39/72/89/570397289.db2.gz YYDIJURCVCUGDI-UHFFFAOYSA-N 0 0 390.874 4.621 50 0 GJAARN Cc1cccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1C ZINC000032953833 570398947 /nfs/dbraw/zinc/39/89/47/570398947.db2.gz LKXCUAKDXZNPQY-UHFFFAOYSA-N 0 0 390.487 4.641 50 0 GJAARN CCOc1ccc(-c2cc(CCCC(=O)NCCc3sccc3C)no2)cc1 ZINC000005028536 570399477 /nfs/dbraw/zinc/39/94/77/570399477.db2.gz YJHYPBYECFFERL-UHFFFAOYSA-N 0 0 398.528 4.792 50 0 GJAARN O=S(=O)(Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(F)cc1 ZINC000033025812 570399709 /nfs/dbraw/zinc/39/97/09/570399709.db2.gz ZHQVLOMDCRTLAL-UHFFFAOYSA-N 0 0 384.407 4.914 50 0 GJAARN CC(=O)c1ccc(NC(=O)CCCc2nc3cccnc3n2-c2ccccc2)cc1 ZINC000033072905 570401082 /nfs/dbraw/zinc/40/10/82/570401082.db2.gz NHHJERKWXDGVGU-UHFFFAOYSA-N 0 0 398.466 4.585 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 ZINC000024983916 570401508 /nfs/dbraw/zinc/40/15/08/570401508.db2.gz AWVWTYBEOUPIHC-UHFFFAOYSA-N 0 0 376.416 4.533 50 0 GJAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000024991184 570402352 /nfs/dbraw/zinc/40/23/52/570402352.db2.gz OXDIJBDKZSZJFH-UHFFFAOYSA-N 0 0 377.828 4.715 50 0 GJAARN COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)cc1OC ZINC000004757760 570404033 /nfs/dbraw/zinc/40/40/33/570404033.db2.gz FJQRLBRYDJOZCA-UHFFFAOYSA-N 0 0 381.398 4.560 50 0 GJAARN COc1cccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)c1 ZINC000033267987 570404109 /nfs/dbraw/zinc/40/41/09/570404109.db2.gz OOAOQSFAMXLCJK-UHFFFAOYSA-N 0 0 394.431 4.634 50 0 GJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)o1 ZINC000033297802 570405253 /nfs/dbraw/zinc/40/52/53/570405253.db2.gz BZCBNRPPXDRMOZ-UHFFFAOYSA-N 0 0 396.559 4.549 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 ZINC000004784027 570405251 /nfs/dbraw/zinc/40/52/51/570405251.db2.gz DETRJTPDYSZWOX-UHFFFAOYSA-N 0 0 386.908 4.658 50 0 GJAARN CNC(=O)c1c2c(sc1NC(=O)c1cccc(Oc3ccccc3)c1)CCC2 ZINC000005055733 570407206 /nfs/dbraw/zinc/40/72/06/570407206.db2.gz ZKGGAWSQHMQDIQ-UHFFFAOYSA-N 0 0 392.480 4.641 50 0 GJAARN COc1ccc(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000004810662 570407335 /nfs/dbraw/zinc/40/73/35/570407335.db2.gz CYXWBYNYBVSNBZ-UHFFFAOYSA-N 0 0 377.284 4.914 50 0 GJAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)NCCc1ccccc1 ZINC000005057700 570407771 /nfs/dbraw/zinc/40/77/71/570407771.db2.gz JYXIDJRNXOXFFT-UHFFFAOYSA-N 0 0 380.513 4.551 50 0 GJAARN COC(=O)c1cccc2c1CCCN2C(=O)c1sc(-c2cccs2)nc1C ZINC000025193022 570407820 /nfs/dbraw/zinc/40/78/20/570407820.db2.gz PVEYTFOTKVOBTG-UHFFFAOYSA-N 0 0 398.509 4.560 50 0 GJAARN COc1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)c(OC)c1 ZINC000025291965 570409986 /nfs/dbraw/zinc/40/99/86/570409986.db2.gz XCQQLCJVGBRQKF-UHFFFAOYSA-N 0 0 380.271 4.815 50 0 GJAARN O[C@H](c1ccccc1)C1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000025454444 570414073 /nfs/dbraw/zinc/41/40/73/570414073.db2.gz CWPUPDDJMNSDMX-HSZRJFAPSA-N 0 0 396.494 4.642 50 0 GJAARN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1 ZINC000004881317 570415124 /nfs/dbraw/zinc/41/51/24/570415124.db2.gz MFOWNGCBSOYWEJ-NSHDSACASA-N 0 0 382.382 4.977 50 0 GJAARN O=C(Cc1cccs1)Nc1ncc(Cc2ccccc2Br)s1 ZINC000013005497 570415223 /nfs/dbraw/zinc/41/52/23/570415223.db2.gz ZJQCLFCZCNQORC-UHFFFAOYSA-N 0 0 393.331 4.739 50 0 GJAARN COc1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1Cc1ccccc1 ZINC000025596375 570416867 /nfs/dbraw/zinc/41/68/67/570416867.db2.gz RASBIWLRHYSRHL-UHFFFAOYSA-N 0 0 399.903 4.704 50 0 GJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4ccccc4C)C3)sc2c1 ZINC000005105616 570417886 /nfs/dbraw/zinc/41/78/86/570417886.db2.gz MRVURRCLYUSJHP-MRXNPFEDSA-N 0 0 395.528 4.859 50 0 GJAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N[C@H](C)C3CC3)c12 ZINC000025773634 570419476 /nfs/dbraw/zinc/41/94/76/570419476.db2.gz XELBQSOLUZWFSO-SNVBAGLBSA-N 0 0 389.377 4.745 50 0 GJAARN CCc1ccccc1N(C)C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O ZINC000004953645 570419740 /nfs/dbraw/zinc/41/97/40/570419740.db2.gz OCIZKBQCPAJCMD-UHFFFAOYSA-N 0 0 376.481 4.890 50 0 GJAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)NCc4ccc(Cl)cc4)sc3c2c1 ZINC000004954076 570419933 /nfs/dbraw/zinc/41/99/33/570419933.db2.gz MOGPISSYXCUMQJ-UHFFFAOYSA-N 0 0 382.872 4.635 50 0 GJAARN Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)nc21 ZINC000005115487 570420029 /nfs/dbraw/zinc/42/00/29/570420029.db2.gz FIBWPSKPUDECSN-UHFFFAOYSA-N 0 0 389.524 4.966 50 0 GJAARN C[C@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000122326980 570421092 /nfs/dbraw/zinc/42/10/92/570421092.db2.gz UDIOIHXCIPIDDH-DNVCBOLYSA-N 0 0 394.496 4.613 50 0 GJAARN O=c1c2sccc2nc(SCCOc2ccc(F)cc2)n1-c1ccccc1 ZINC000026091245 570421999 /nfs/dbraw/zinc/42/19/99/570421999.db2.gz WAHGOGBOMGEPQG-UHFFFAOYSA-N 0 0 398.484 4.757 50 0 GJAARN CCCCOC(=O)COc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O ZINC000001769990 570422582 /nfs/dbraw/zinc/42/25/82/570422582.db2.gz UMIDVUOFHCQDKG-UHFFFAOYSA-N 0 0 382.412 4.616 50 0 biogenic GJAARN CC(=O)Nc1cccc(-n2c(SCc3ccc(C)cc3)nnc2C2CC2)c1 ZINC000026133275 570422641 /nfs/dbraw/zinc/42/26/41/570422641.db2.gz FSLGCWSXFBJAOV-UHFFFAOYSA-N 0 0 378.501 4.704 50 0 GJAARN CCCOC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000001775068 570423066 /nfs/dbraw/zinc/42/30/66/570423066.db2.gz RDXUQDCPWSIXLH-UHFFFAOYSA-N 0 0 388.803 4.571 50 0 GJAARN Cc1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000005137340 570423842 /nfs/dbraw/zinc/42/38/42/570423842.db2.gz GRQCFNPTUWDYNJ-UHFFFAOYSA-N 0 0 386.904 4.510 50 0 GJAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4cccc(Cl)c4)c(=O)c23)C1 ZINC000001784995 570423933 /nfs/dbraw/zinc/42/39/33/570423933.db2.gz RVXBYXHZDYSAJQ-CYBMUJFWSA-N 0 0 387.936 4.706 50 0 GJAARN COc1cccc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)c1 ZINC000032951302 570426214 /nfs/dbraw/zinc/42/62/14/570426214.db2.gz SDJIGBTYBUILQF-UHFFFAOYSA-N 0 0 386.455 4.534 50 0 GJAARN CC(C)c1ccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)cc1 ZINC000005054730 570426685 /nfs/dbraw/zinc/42/66/85/570426685.db2.gz UGHFDTTYCISNTI-UHFFFAOYSA-N 0 0 396.874 4.506 50 0 GJAARN Cc1c(C[NH2+]Cc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146337 570426811 /nfs/dbraw/zinc/42/68/11/570426811.db2.gz OODFWBKYLPOACY-UHFFFAOYSA-N 0 0 382.891 4.795 50 0 GJAARN C[C@@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 ZINC000005064864 570427901 /nfs/dbraw/zinc/42/79/01/570427901.db2.gz MBYZOTYFXODJSA-HCVBEMKVSA-N 0 0 386.561 4.517 50 0 GJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1C ZINC000005068576 570428147 /nfs/dbraw/zinc/42/81/47/570428147.db2.gz IGFTXPXHZPBPOQ-UHFFFAOYSA-N 0 0 395.524 4.703 50 0 GJAARN CNC(=O)c1ccc(CN(Cc2ccco2)Cc2ccc(SC)cc2)cc1 ZINC000026925472 570429902 /nfs/dbraw/zinc/42/99/02/570429902.db2.gz NCYWZHGXKQOKCZ-UHFFFAOYSA-N 0 0 380.513 4.564 50 0 GJAARN Cc1cccc(Oc2cc(N3CCN(c4cc(Cl)ccc4C)CC3)ncn2)c1 ZINC000037623610 570430525 /nfs/dbraw/zinc/43/05/25/570430525.db2.gz JZKKXBKQGVKPPL-UHFFFAOYSA-N 0 0 394.906 4.866 50 0 GJAARN CCOc1cccc(C(=O)Nc2nnc(CSCc3ccccc3)s2)c1 ZINC000005199566 570431145 /nfs/dbraw/zinc/43/11/45/570431145.db2.gz KPJQGDXQDWYADJ-UHFFFAOYSA-N 0 0 385.514 4.623 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccco1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000243932509 570433032 /nfs/dbraw/zinc/43/30/32/570433032.db2.gz BWINNIQKHYHVGB-CWBXHPNXSA-N 0 0 383.447 4.518 50 0 GJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12 ZINC000032953831 570433926 /nfs/dbraw/zinc/43/39/26/570433926.db2.gz LLZPRMAITVTKRN-UHFFFAOYSA-N 0 0 396.878 4.677 50 0 GJAARN CC(C)C(=O)N(C[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000247999049 570434458 /nfs/dbraw/zinc/43/44/58/570434458.db2.gz NGBKUSFYRHTSBD-UGKGYDQZSA-N 0 0 386.511 4.527 50 0 GJAARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000027471083 570434937 /nfs/dbraw/zinc/43/49/37/570434937.db2.gz VGVQKVUMSKPNJG-JPCAVARWSA-N 0 0 390.483 4.847 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 ZINC000027581038 570436592 /nfs/dbraw/zinc/43/65/92/570436592.db2.gz LQCCSEZQPBVJIH-UHFFFAOYSA-N 0 0 378.428 4.859 50 0 GJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1F ZINC000005388587 570436928 /nfs/dbraw/zinc/43/69/28/570436928.db2.gz DGPPCGBIJZDRPZ-UHFFFAOYSA-N 0 0 398.507 4.760 50 0 GJAARN CC(C)c1ccccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 ZINC000011835330 570437085 /nfs/dbraw/zinc/43/70/85/570437085.db2.gz YVGBVZRSTXYQML-UHFFFAOYSA-N 0 0 383.473 4.683 50 0 GJAARN CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1 ZINC000027663876 570439183 /nfs/dbraw/zinc/43/91/83/570439183.db2.gz JORLZVQMUWWNQR-NRFANRHFSA-N 0 0 386.923 4.696 50 0 GJAARN CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000027664103 570439236 /nfs/dbraw/zinc/43/92/36/570439236.db2.gz FRPRZRUZGOLFRW-UHFFFAOYSA-N 0 0 380.875 4.910 50 0 GJAARN Cc1cccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1C ZINC000011913985 570446736 /nfs/dbraw/zinc/44/67/36/570446736.db2.gz RDDWQHVHBGKBIL-INIZCTEOSA-N 0 0 395.459 4.547 50 0 GJAARN CCc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 ZINC000027990485 570448320 /nfs/dbraw/zinc/44/83/20/570448320.db2.gz GVPWSILNGYVKJU-KRWDZBQOSA-N 0 0 394.540 4.807 50 0 GJAARN Cc1c2cc(F)ccc2oc1C(=O)N(CCc1ccccn1)Cc1ccco1 ZINC000027991721 570448347 /nfs/dbraw/zinc/44/83/47/570448347.db2.gz PCHZFJBQLAACBJ-UHFFFAOYSA-N 0 0 378.403 4.753 50 0 GJAARN Cc1cccc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1C ZINC000027992538 570448716 /nfs/dbraw/zinc/44/87/16/570448716.db2.gz UOOXBGIBNZYCOE-QGZVFWFLSA-N 0 0 380.513 4.553 50 0 GJAARN COCCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1ccccc1 ZINC000028108982 570450819 /nfs/dbraw/zinc/45/08/19/570450819.db2.gz PWYGAMOHJFXGOI-UHFFFAOYSA-N 0 0 398.513 4.600 50 0 GJAARN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000044488550 570451313 /nfs/dbraw/zinc/45/13/13/570451313.db2.gz XSLXRLLTXMJESO-KRWDZBQOSA-N 0 0 394.515 4.513 50 0 GJAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccco1)c1ccc(Cl)cc1 ZINC000001994099 570452469 /nfs/dbraw/zinc/45/24/69/570452469.db2.gz KNDGDWZSGKDHDE-UHFFFAOYSA-N 0 0 380.783 4.968 50 0 GJAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000028250937 570453231 /nfs/dbraw/zinc/45/32/31/570453231.db2.gz QHCMTRADQCKWCT-SFHVURJKSA-N 0 0 385.410 4.841 50 0 GJAARN CCCc1nn(-c2nc(C)cc(N=NCc3ccccc3)n2)c(CCC)c1CC ZINC000252594039 570453223 /nfs/dbraw/zinc/45/32/23/570453223.db2.gz BOSOCTJYRJIUQD-UHFFFAOYSA-N 0 0 390.535 4.884 50 0 GJAARN CCc1cccc(CC)c1NC(=O)CSc1cc(-c2ccccc2)ncn1 ZINC000012016826 570454266 /nfs/dbraw/zinc/45/42/66/570454266.db2.gz JFLGJLFSLDYJLQ-UHFFFAOYSA-N 0 0 377.513 4.999 50 0 GJAARN CCOc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)sc2=S)cc1 ZINC000028467669 570460127 /nfs/dbraw/zinc/46/01/27/570460127.db2.gz UEKRRXSMLYFCLQ-ZDUSSCGKSA-N 0 0 399.541 4.740 50 0 GJAARN Cc1ccccc1SCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000028605027 570461451 /nfs/dbraw/zinc/46/14/51/570461451.db2.gz IVSCZNBWIPKQJC-MRXNPFEDSA-N 0 0 398.553 4.909 50 0 GJAARN COC(=O)Nc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000028629220 570462203 /nfs/dbraw/zinc/46/22/03/570462203.db2.gz HWFIJQNEQLXGPD-UHFFFAOYSA-N 0 0 387.848 4.894 50 0 GJAARN Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)sc2c1 ZINC000028690695 570463170 /nfs/dbraw/zinc/46/31/70/570463170.db2.gz ABTQHCHATHMNEJ-UHFFFAOYSA-N 0 0 385.876 4.637 50 0 GJAARN Cc1c(C(=O)N2CC[C@@H](C)Sc3ccc(Cl)cc32)cnn1-c1ccncc1 ZINC000131271966 570465085 /nfs/dbraw/zinc/46/50/85/570465085.db2.gz LLDULYHLFSHGRG-CYBMUJFWSA-N 0 0 398.919 4.760 50 0 GJAARN Cc1cccc(CNC(=O)Nc2c(N)n(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000035868084 570466561 /nfs/dbraw/zinc/46/65/61/570466561.db2.gz KRMFCAQWDDSVRE-UHFFFAOYSA-N 0 0 397.482 4.752 50 0 GJAARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccccc3Cl)ccc2O[C@H](C)C1=O ZINC000035873864 570469228 /nfs/dbraw/zinc/46/92/28/570469228.db2.gz QUSUKFXJSXFBKF-UONOGXRCSA-N 0 0 386.879 4.500 50 0 GJAARN Cc1ccccc1-n1c(S[C@H]2CCCCCC2=O)nc2ccccc2c1=O ZINC000029328446 570472358 /nfs/dbraw/zinc/47/23/58/570472358.db2.gz JHEAFFBDDHOSFL-FQEVSTJZSA-N 0 0 378.497 4.688 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000001157459 570473133 /nfs/dbraw/zinc/47/31/33/570473133.db2.gz LZVQDHFNZZYGPB-UHFFFAOYSA-N 0 0 391.298 4.793 50 0 GJAARN CC(C)c1cnc(CN2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000252477284 570474041 /nfs/dbraw/zinc/47/40/41/570474041.db2.gz LGGNYKYHOAYCMX-DLBZAZTESA-N 0 0 377.529 4.552 50 0 GJAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000006559780 570476995 /nfs/dbraw/zinc/47/69/95/570476995.db2.gz OGGMYHLAKQNZSL-ZIAGYGMSSA-N 0 0 396.541 4.740 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1C ZINC000029793554 570480383 /nfs/dbraw/zinc/48/03/83/570480383.db2.gz KTOVJSUUVYVHTO-UHFFFAOYSA-N 0 0 387.892 4.787 50 0 GJAARN COc1ccc(C(C)=O)cc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000006580177 570480878 /nfs/dbraw/zinc/48/08/78/570480878.db2.gz OMXDPBVONHVDPD-UHFFFAOYSA-N 0 0 380.513 4.887 50 0 GJAARN COc1ccccc1Nc1cc(C(=O)N2CCC(C)CC2)nc2ccccc21 ZINC000064568403 570483204 /nfs/dbraw/zinc/48/32/04/570483204.db2.gz BLDAYDRYAABAKS-UHFFFAOYSA-N 0 0 375.472 4.859 50 0 GJAARN CCOP(=O)(OCC)[C@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000006595396 570489175 /nfs/dbraw/zinc/48/91/75/570489175.db2.gz HJJVNVWECBYPMH-KRWDZBQOSA-N 0 0 384.482 4.748 50 0 GJAARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccccc1Cl ZINC000006595636 570489425 /nfs/dbraw/zinc/48/94/25/570489425.db2.gz TTWOFOXIDIIKOE-LICLKQGHSA-N 0 0 389.860 4.642 50 0 GJAARN Cc1cccc(Cn2nccc2NC(=O)CSCc2ccc(Cl)s2)c1 ZINC000030527342 570490517 /nfs/dbraw/zinc/49/05/17/570490517.db2.gz ZMDSOEUNDPMTAG-UHFFFAOYSA-N 0 0 391.949 4.827 50 0 GJAARN COC(=O)c1sc2nc(C)nc(N[C@@H](c3ccc(OC)cc3)C3CC3)c2c1C ZINC000030767402 570496153 /nfs/dbraw/zinc/49/61/53/570496153.db2.gz GWXKKIZHDYITSO-QGZVFWFLSA-N 0 0 397.500 4.667 50 0 GJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000005190662 570498985 /nfs/dbraw/zinc/49/89/85/570498985.db2.gz UCJYTDNVSVOOFM-INIZCTEOSA-N 0 0 398.709 4.890 50 0 GJAARN COc1cccc(C2=N/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)O2)c1 ZINC000004906832 570499079 /nfs/dbraw/zinc/49/90/79/570499079.db2.gz NRCGMMRTCRSJPU-PDGQHHTCSA-N 0 0 379.799 4.953 50 0 GJAARN Cc1ccc(-c2noc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000022671019 570500947 /nfs/dbraw/zinc/50/09/47/570500947.db2.gz KVYFMDWPVDWBPD-UHFFFAOYSA-N 0 0 381.863 4.718 50 0 GJAARN O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[nH]1 ZINC000061719839 570502516 /nfs/dbraw/zinc/50/25/16/570502516.db2.gz XMSIQXYMNOIIRJ-UHFFFAOYSA-N 0 0 393.830 4.753 50 0 GJAARN COC(=O)CCOc1ccccc1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000072298146 570503450 /nfs/dbraw/zinc/50/34/50/570503450.db2.gz KMISXPOZXCYZRX-UHFFFAOYSA-N 0 0 387.501 4.601 50 0 GJAARN CC(=O)c1ccccc1-c1cccc(C(=O)N[C@@H](C)c2nc(C(C)C)no2)c1 ZINC000426633739 570503470 /nfs/dbraw/zinc/50/34/70/570503470.db2.gz CNAFWMCSMNFEOD-AWEZNQCLSA-N 0 0 377.444 4.554 50 0 GJAARN O=C(c1ccc(Br)s1)N(Cc1ccco1)Cc1ccccc1 ZINC000006610599 570503792 /nfs/dbraw/zinc/50/37/92/570503792.db2.gz HXBFYMMJVPMDPU-UHFFFAOYSA-N 0 0 376.275 4.946 50 0 GJAARN Cc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 ZINC000002707213 570506157 /nfs/dbraw/zinc/50/61/57/570506157.db2.gz OTINGDSTQHQADC-YADHBBJMSA-N 0 0 398.491 4.861 50 0 GJAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cccs3)C1[C@@H](c1ccccc1)O2 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Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)C[S@@](=O)C3)c1C ZINC000002724900 570510832 /nfs/dbraw/zinc/51/08/32/570510832.db2.gz IUSGMFJDFOALHV-NDEPHWFRSA-N 0 0 399.560 4.550 50 0 GJAARN C[C@@H]1CCCCN1C(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000005212833 570512110 /nfs/dbraw/zinc/51/21/10/570512110.db2.gz JYSAFFRRWBMAHN-CQSZACIVSA-N 0 0 383.542 4.851 50 0 GJAARN CCCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)cc1 ZINC000002762762 570512393 /nfs/dbraw/zinc/51/23/93/570512393.db2.gz ZUEHONTZXCRISG-UHFFFAOYSA-N 0 0 381.451 4.728 50 0 GJAARN CCOc1ccccc1-c1cc(C(=O)NCc2ccncc2)c2ccccc2n1 ZINC000002760243 570514116 /nfs/dbraw/zinc/51/41/16/570514116.db2.gz VNXBKXUWUIRPGN-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN CCS[C@H]1CC[C@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 ZINC000072303496 570514373 /nfs/dbraw/zinc/51/43/73/570514373.db2.gz PEYPQVSPDYSGKM-GJZGRUSLSA-N 0 0 385.957 4.787 50 0 GJAARN COc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1OC ZINC000033930774 570514652 /nfs/dbraw/zinc/51/46/52/570514652.db2.gz 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ZINC000055182688 570686306 /nfs/dbraw/zinc/68/63/06/570686306.db2.gz CVXKGDPSHDFGQC-UHFFFAOYSA-N 0 0 376.481 4.760 50 0 GJAARN Cc1c(NC(=O)c2cc(Br)cnc2Cl)onc1C1CCCCC1 ZINC000241884867 570688053 /nfs/dbraw/zinc/68/80/53/570688053.db2.gz SYKXBPULHIWYLC-UHFFFAOYSA-N 0 0 398.688 5.094 50 0 GJAARN Cc1oc(-c2ccccc2F)nc1CN1CCC[C@@H](OCc2ccccc2)C1 ZINC000012593391 570688097 /nfs/dbraw/zinc/68/80/97/570688097.db2.gz GBSWNFJQTFEOPV-LJQANCHMSA-N 0 0 380.463 4.970 50 0 GJAARN Cc1nc2sccn2c1CN1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000055242868 570688352 /nfs/dbraw/zinc/68/83/52/570688352.db2.gz UALLQIILTAZTKX-SFHVURJKSA-N 0 0 397.544 4.586 50 0 GJAARN Cc1c(NCc2cccnc2)cccc1C(=O)N(C)[C@H](c1ccccn1)C1CC1 ZINC000055270260 570689857 /nfs/dbraw/zinc/68/98/57/570689857.db2.gz ZWWSIANKEYCQGC-QHCPKHFHSA-N 0 0 386.499 4.620 50 0 GJAARN Cc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1ccco1 ZINC000005793131 570690700 /nfs/dbraw/zinc/69/07/00/570690700.db2.gz OBUPZCJBIGIOHR-UHFFFAOYSA-N 0 0 378.428 4.880 50 0 GJAARN O=C(c1ccc(OC(F)(F)F)cc1)N(CCc1cccs1)C1CCOCC1 ZINC000206677167 570692008 /nfs/dbraw/zinc/69/20/08/570692008.db2.gz QXOKDPKZBKXGHP-UHFFFAOYSA-N 0 0 399.434 4.511 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cccnc1Cl)C[C@@H](CC)CC2 ZINC000000879586 570693046 /nfs/dbraw/zinc/69/30/46/570693046.db2.gz DCQGYUIOPWSFAW-NSHDSACASA-N 0 0 392.908 4.740 50 0 GJAARN CC[C@@H](Sc1nnc(C)n2c3ccoc3cc12)C(=O)Nc1c(C)cccc1C ZINC000006894145 570693302 /nfs/dbraw/zinc/69/33/02/570693302.db2.gz VBBJRGPEEURUCI-GOSISDBHSA-N 0 0 394.500 4.910 50 0 GJAARN CCc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)cc1 ZINC000004356299 570695200 /nfs/dbraw/zinc/69/52/00/570695200.db2.gz KTNVZFHDXDALJR-UHFFFAOYSA-N 0 0 385.439 4.715 50 0 GJAARN Cc1ccc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1N(C)C ZINC000006901897 570697036 /nfs/dbraw/zinc/69/70/36/570697036.db2.gz KARDZTUEJIVQOM-UHFFFAOYSA-N 0 0 392.503 4.676 50 0 GJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(C)cn2)cc1 ZINC000006902093 570697436 /nfs/dbraw/zinc/69/74/36/570697436.db2.gz ZYXXBKWJUROFMH-UHFFFAOYSA-N 0 0 385.471 4.555 50 0 GJAARN Cc1cc(C)cc(-n2c(=O)c3c(nc2SCc2ccccc2)CCS3)c1 ZINC000004358845 570698604 /nfs/dbraw/zinc/69/86/04/570698604.db2.gz JDRROQBQZPOJEF-UHFFFAOYSA-N 0 0 380.538 4.790 50 0 GJAARN CC1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3)n2)CC1 ZINC000017246132 570701915 /nfs/dbraw/zinc/70/19/15/570701915.db2.gz PTTXFGAZUOWDPR-UHFFFAOYSA-N 0 0 384.487 4.795 50 0 GJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c(C)c1 ZINC000057486570 570702389 /nfs/dbraw/zinc/70/23/89/570702389.db2.gz SKSDZXLOMQZDJD-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000018704526 570704713 /nfs/dbraw/zinc/70/47/13/570704713.db2.gz AKKKRYQLPVPYCP-NRFANRHFSA-N 0 0 385.385 4.875 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1OC ZINC000065118561 570706128 /nfs/dbraw/zinc/70/61/28/570706128.db2.gz NKSJIGCYOKUMQQ-CQSZACIVSA-N 0 0 399.516 4.565 50 0 GJAARN C[C@H](OC[C@@H](O)CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 ZINC000058012317 570706904 /nfs/dbraw/zinc/70/69/04/570706904.db2.gz YOSMAHDWDUYHQQ-SMDDNHRTSA-N 0 0 396.921 4.682 50 0 GJAARN COc1ccc(NC(=O)c2cc(NC(=O)C3CCC3)cc3nc(C)ccc32)cc1 ZINC000065136057 570707331 /nfs/dbraw/zinc/70/73/31/570707331.db2.gz JWJTZZKGKJRVBX-UHFFFAOYSA-N 0 0 389.455 4.543 50 0 GJAARN C[C@H](SCc1nc(-c2ccsc2)no1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000025054124 570707717 /nfs/dbraw/zinc/70/77/17/570707717.db2.gz LOZKGQCWFSGUCC-LBPRGKRZSA-N 0 0 385.514 4.547 50 0 GJAARN CCn1nccc1-c1cccc(-c2noc(-c3cccc(NC(C)=O)c3C)n2)c1 ZINC000065137300 570708373 /nfs/dbraw/zinc/70/83/73/570708373.db2.gz CEVPWJZRVYRCTM-UHFFFAOYSA-N 0 0 387.443 4.554 50 0 GJAARN CCOc1ccccc1NC(=O)c1cc(Br)ccc1Br ZINC000000642749 570708767 /nfs/dbraw/zinc/70/87/67/570708767.db2.gz TXHDLPQQLJTGJI-UHFFFAOYSA-N 0 0 399.082 4.863 50 0 GJAARN O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCOc2ccccc21 ZINC000032624446 570709095 /nfs/dbraw/zinc/70/90/95/570709095.db2.gz NQLRTRGKJAEDLM-UHFFFAOYSA-N 0 0 379.843 4.958 50 0 GJAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)n2)cc1 ZINC000065135482 570709458 /nfs/dbraw/zinc/70/94/58/570709458.db2.gz JBPLPQVMLYOYBW-GOSISDBHSA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(-c4ccccc4)n3)C2)cc1F ZINC000065135284 570709567 /nfs/dbraw/zinc/70/95/67/570709567.db2.gz KTGMJIBNSNFCOW-IBGZPJMESA-N 0 0 375.447 4.611 50 0 GJAARN COCCc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1 ZINC000018830123 570710033 /nfs/dbraw/zinc/71/00/33/570710033.db2.gz GHLGUEIXGCAXTP-UHFFFAOYSA-N 0 0 391.496 4.662 50 0 GJAARN C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000006931788 570710349 /nfs/dbraw/zinc/71/03/49/570710349.db2.gz GIWWCJGEJQEIGD-WAIKUNEKSA-N 0 0 395.462 4.740 50 0 GJAARN O=C(CSc1ccc(F)cc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219322075 570710556 /nfs/dbraw/zinc/71/05/56/570710556.db2.gz AJUNORXXHFTGAG-SFHVURJKSA-N 0 0 397.487 4.903 50 0 GJAARN Cc1cc(NC(=O)c2ccc(COc3ccccc3)o2)n(-c2ccc(F)cc2)n1 ZINC000058163014 570713262 /nfs/dbraw/zinc/71/32/62/570713262.db2.gz ZVPDWSVPOAOFKC-UHFFFAOYSA-N 0 0 391.402 4.744 50 0 GJAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1cc(-c2ccco2)on1 ZINC000018960906 570714029 /nfs/dbraw/zinc/71/40/29/570714029.db2.gz IBVNGAGGFHBHBH-UHFFFAOYSA-N 0 0 393.395 4.682 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(Br)c1 ZINC000001218569 570714077 /nfs/dbraw/zinc/71/40/77/570714077.db2.gz MTUFRPKXWUPSRO-UHFFFAOYSA-N 0 0 395.105 4.865 50 0 GJAARN O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc(CN2CCCC2=O)c1 ZINC000012793277 570714789 /nfs/dbraw/zinc/71/47/89/570714789.db2.gz VHBDCXJOQLQYHO-UHFFFAOYSA-N 0 0 386.451 4.854 50 0 GJAARN CC(C)(C)c1cnc(CSc2nnc(COc3ccccc3Cl)o2)o1 ZINC000058200971 570718718 /nfs/dbraw/zinc/71/87/18/570718718.db2.gz YKPSYAADTCEGPI-UHFFFAOYSA-N 0 0 379.869 4.880 50 0 GJAARN Cc1ccc(Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1Cl ZINC000012805770 570718882 /nfs/dbraw/zinc/71/88/82/570718882.db2.gz GIXDBJKSQGCHOE-UHFFFAOYSA-N 0 0 398.985 4.981 50 0 GJAARN COc1cccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)c1 ZINC000004372227 570718979 /nfs/dbraw/zinc/71/89/79/570718979.db2.gz XZQXLQWBCCQUMM-UHFFFAOYSA-N 0 0 381.501 4.510 50 0 GJAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(F)cc3F)s2)c1 ZINC000065184830 570722961 /nfs/dbraw/zinc/72/29/61/570722961.db2.gz IRUHNCVIZDVYJP-UHFFFAOYSA-N 0 0 375.400 4.734 50 0 GJAARN COc1ccc(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)c(OC)c1 ZINC000065184782 570723232 /nfs/dbraw/zinc/72/32/32/570723232.db2.gz BSVQZVKZWYPLCR-UHFFFAOYSA-N 0 0 383.473 4.773 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012836659 570723490 /nfs/dbraw/zinc/72/34/90/570723490.db2.gz NNEZNRIDFQGOJR-GOSISDBHSA-N 0 0 382.479 4.714 50 0 GJAARN Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1C ZINC000065194921 570725813 /nfs/dbraw/zinc/72/58/13/570725813.db2.gz JCCGMZTVDHKJOB-UHFFFAOYSA-N 0 0 394.406 4.501 50 0 GJAARN COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000000939980 570731041 /nfs/dbraw/zinc/73/10/41/570731041.db2.gz XNOQMLJLFWABDM-UHFFFAOYSA-N 0 0 380.318 4.505 50 0 biogenic GJAARN O=C(c1cncc(Br)c1)N(CCc1ccccc1)c1ccccc1 ZINC000058428333 570733125 /nfs/dbraw/zinc/73/31/25/570733125.db2.gz GQFWFLKNEXSAJD-UHFFFAOYSA-N 0 0 381.273 4.734 50 0 GJAARN CN(Cc1cccs1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000012972079 570733456 /nfs/dbraw/zinc/73/34/56/570733456.db2.gz JMHDMZDOISBRNE-UHFFFAOYSA-N 0 0 378.906 4.709 50 0 GJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc(Br)ccc1O ZINC000000947959 570734683 /nfs/dbraw/zinc/73/46/83/570734683.db2.gz RKLOSWDETVWXDZ-UHFFFAOYSA-N 0 0 375.247 4.531 50 0 GJAARN O=C(Nc1ccsc1-c1nc(-c2cccc(F)c2)no1)c1ccccc1F ZINC000065219391 570734820 /nfs/dbraw/zinc/73/48/20/570734820.db2.gz LBTQWRGILMLNFO-UHFFFAOYSA-N 0 0 383.379 4.996 50 0 GJAARN CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc32)cc1 ZINC000000949561 570735762 /nfs/dbraw/zinc/73/57/62/570735762.db2.gz DNDFURKAJFNYTE-UHFFFAOYSA-N 0 0 378.428 4.640 50 0 GJAARN COc1ccc(-c2nnc3n2C(=O)C[C@@H](c2cccc4ccccc42)S3)cc1 ZINC000000957035 570738304 /nfs/dbraw/zinc/73/83/04/570738304.db2.gz QWNXOWKNMJDCAW-IBGZPJMESA-N 0 0 387.464 4.984 50 0 GJAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000033050792 570738370 /nfs/dbraw/zinc/73/83/70/570738370.db2.gz WABPTDVAIMHMTE-UHFFFAOYSA-N 0 0 391.471 4.955 50 0 GJAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cc1 ZINC000059743404 570739422 /nfs/dbraw/zinc/73/94/22/570739422.db2.gz YFWXPIMPMNZKEM-JXMROGBWSA-N 0 0 380.831 4.717 50 0 GJAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 ZINC000013038237 570742730 /nfs/dbraw/zinc/74/27/30/570742730.db2.gz IYCVWZWLCQNUFO-QUCCMNQESA-N 0 0 391.540 4.627 50 0 GJAARN Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(C)c1 ZINC000013041941 570743506 /nfs/dbraw/zinc/74/35/06/570743506.db2.gz RWBSTXPEZKZFJA-IBGZPJMESA-N 0 0 395.547 4.633 50 0 GJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccccc3)n2)cc1 ZINC000025254338 570744087 /nfs/dbraw/zinc/74/40/87/570744087.db2.gz PPOHPOBVNVZOTC-UHFFFAOYSA-N 0 0 399.450 4.554 50 0 GJAARN O=C(Oc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1)c1ccco1 ZINC000000993913 570744331 /nfs/dbraw/zinc/74/43/31/570744331.db2.gz YULDGUMRTOEZQN-AQTBWJFISA-N 0 0 391.404 4.740 50 0 GJAARN CCc1ccccc1NC(=O)c1sc(-c2cn(C)c3ncccc23)nc1C ZINC000065240861 570744951 /nfs/dbraw/zinc/74/49/51/570744951.db2.gz KUNDDZQUIBYUNR-UHFFFAOYSA-N 0 0 376.485 4.820 50 0 GJAARN CCn1cc(-c2nc(C(=O)NCc3ccccc3Cl)cs2)c2cccnc21 ZINC000065241084 570745051 /nfs/dbraw/zinc/74/50/51/570745051.db2.gz XUABJFJDUMVMTI-UHFFFAOYSA-N 0 0 396.903 4.763 50 0 GJAARN CCN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2Sc2ncccc2C1=O ZINC000065241340 570745395 /nfs/dbraw/zinc/74/53/95/570745395.db2.gz YYGSISQZBIFMHU-UHFFFAOYSA-N 0 0 393.443 4.604 50 0 GJAARN Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)[nH]c2c1C ZINC000033063663 570749061 /nfs/dbraw/zinc/74/90/61/570749061.db2.gz ZLPOUZIWXGKVPE-UHFFFAOYSA-N 0 0 386.904 4.670 50 0 GJAARN Cc1ccc(NC(=O)Cn2cnc(-c3nc(-c4ccccc4)cs3)c2)cc1F ZINC000065250484 570749198 /nfs/dbraw/zinc/74/91/98/570749198.db2.gz FWTLSBUOBKBPJY-UHFFFAOYSA-N 0 0 392.459 4.760 50 0 GJAARN CCOc1ccc(Nc2c(-c3nc(CC)no3)cnc3nc(C)ccc32)cc1 ZINC000065250609 570749226 /nfs/dbraw/zinc/74/92/26/570749226.db2.gz HKVYZYCWEFBBRA-UHFFFAOYSA-N 0 0 375.432 4.693 50 0 GJAARN CCc1cccc(NC(=O)Cn2cnc(-c3nc(-c4cccs4)cs3)c2)c1 ZINC000065250505 570749272 /nfs/dbraw/zinc/74/92/72/570749272.db2.gz FGRQCSAETKPOJO-UHFFFAOYSA-N 0 0 394.525 4.936 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)N[C@@H](C)c3ccccc3)c12 ZINC000036615902 570751532 /nfs/dbraw/zinc/75/15/32/570751532.db2.gz PWXWBKPAUHCDQH-HNNXBMFYSA-N 0 0 388.446 4.667 50 0 GJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001085428 570751706 /nfs/dbraw/zinc/75/17/06/570751706.db2.gz JEZJZORWMYHCOA-UHFFFAOYSA-N 0 0 382.847 4.689 50 0 GJAARN CCc1ccc2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCC[C@@H]3C)c2c1 ZINC000063855767 570751820 /nfs/dbraw/zinc/75/18/20/570751820.db2.gz AWAIEEDWNXZQQJ-INIZCTEOSA-N 0 0 376.504 4.866 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccc(F)cc3)c12 ZINC000036616440 570752406 /nfs/dbraw/zinc/75/24/06/570752406.db2.gz IXVKLTHNYYSURW-UHFFFAOYSA-N 0 0 378.382 4.568 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3ccccc3)c2n1 ZINC000013284416 570752505 /nfs/dbraw/zinc/75/25/05/570752505.db2.gz VVWLFEVBILOOAP-UHFFFAOYSA-N 0 0 389.282 4.588 50 0 GJAARN CC(=O)Nc1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001107676 570753534 /nfs/dbraw/zinc/75/35/34/570753534.db2.gz PISMSOREKRNSJB-UHFFFAOYSA-N 0 0 397.434 4.717 50 0 GJAARN CC(=O)NCCCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000013494659 570756035 /nfs/dbraw/zinc/75/60/35/570756035.db2.gz LPOALZCYOJOOSQ-UHFFFAOYSA-N 0 0 387.886 4.726 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cncc(-c2ccsc2)c1 ZINC000206944328 570756998 /nfs/dbraw/zinc/75/69/98/570756998.db2.gz RQLUWZZXENAGSR-UHFFFAOYSA-N 0 0 386.904 4.937 50 0 GJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000064984164 570757429 /nfs/dbraw/zinc/75/74/29/570757429.db2.gz WQKYHDUNRQPIJD-HSZRJFAPSA-N 0 0 399.556 4.880 50 0 GJAARN Cc1cc(C(=O)NCc2ccccc2Cl)c2c(n1)onc2-c1ccc(F)cc1 ZINC000036613329 570757553 /nfs/dbraw/zinc/75/75/53/570757553.db2.gz AJPRFDKVUKIADN-UHFFFAOYSA-N 0 0 395.821 4.921 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000013550761 570757775 /nfs/dbraw/zinc/75/77/75/570757775.db2.gz PVZHZKKLGSIIJY-OAHLLOKOSA-N 0 0 381.819 4.686 50 0 GJAARN Cc1cccc2oc(Cn3cnc(-c4ccccc4)c3-c3ccc(CO)o3)nc21 ZINC000065381293 570763100 /nfs/dbraw/zinc/76/31/00/570763100.db2.gz FSPOAOMAMQZNKI-UHFFFAOYSA-N 0 0 385.423 4.800 50 0 GJAARN CC(C)c1cccc2c(O)c(C(=O)N[C@H]3CCCc4c5ccccc5[nH]c43)cnc21 ZINC000524732178 570766731 /nfs/dbraw/zinc/76/67/31/570766731.db2.gz BUSDSPVGPIBYJV-NRFANRHFSA-N 0 0 399.494 4.940 50 0 biogenic GJAARN CCc1ccccc1-c1cc([C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)ccn1 ZINC000065463440 570769612 /nfs/dbraw/zinc/76/96/12/570769612.db2.gz BVPXUXNURNIQIJ-JOCHJYFZSA-N 0 0 386.495 4.999 50 0 GJAARN O=c1cc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)nc2sccn21 ZINC000021944786 570772708 /nfs/dbraw/zinc/77/27/08/570772708.db2.gz SPQVBJVESJZWKB-UHFFFAOYSA-N 0 0 395.915 4.612 50 0 GJAARN CC(=O)N1N=C(c2ccncc2)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941434 570773605 /nfs/dbraw/zinc/77/36/05/570773605.db2.gz SJFDUVVPJARXLG-DEOSSOPVSA-N 0 0 394.434 4.536 50 0 GJAARN COc1cc2ccccc2cc1C(=O)/N=c1\sc2cc(Cl)ccc2n1C ZINC000100837246 570776230 /nfs/dbraw/zinc/77/62/30/570776230.db2.gz VTORHPKUAIUWRM-XDOYNYLZSA-N 0 0 382.872 4.796 50 0 GJAARN COc1ccc(Cl)cc1N1C(=O)CS[C@H]1c1ccccc1Br ZINC000002949561 570778235 /nfs/dbraw/zinc/77/82/35/570778235.db2.gz VXXWOQAOVFKZGA-INIZCTEOSA-N 0 0 398.709 4.890 50 0 GJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000007068771 570779573 /nfs/dbraw/zinc/77/95/73/570779573.db2.gz PIVZZNXBYSOPCC-UHFFFAOYSA-N 0 0 386.860 4.795 50 0 GJAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000100901954 570779762 /nfs/dbraw/zinc/77/97/62/570779762.db2.gz ZZXZDTHIFONUGF-SFHVURJKSA-N 0 0 393.878 4.726 50 0 GJAARN CCC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 ZINC000036661653 570783295 /nfs/dbraw/zinc/78/32/95/570783295.db2.gz VJZKYQACSOQKBV-KRWDZBQOSA-N 0 0 377.488 4.525 50 0 GJAARN O=C([C@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1)N1CCCCC1 ZINC000032741721 570787077 /nfs/dbraw/zinc/78/70/77/570787077.db2.gz QGILFQQHUBXMNI-GOSISDBHSA-N 0 0 385.533 4.963 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000032744568 570787601 /nfs/dbraw/zinc/78/76/01/570787601.db2.gz KAZNOLULNKDQGS-UHFFFAOYSA-N 0 0 397.327 4.844 50 0 GJAARN Cc1ccc(-c2nc(SCc3nc(-c4ccccc4Cl)no3)n[nH]2)cc1 ZINC000007113682 570790762 /nfs/dbraw/zinc/79/07/62/570790762.db2.gz IXDHZAAWDALKHK-UHFFFAOYSA-N 0 0 383.864 4.776 50 0 GJAARN CC(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001181458 570791527 /nfs/dbraw/zinc/79/15/27/570791527.db2.gz ZNHGJJAHDPIYGW-UHFFFAOYSA-N 0 0 388.492 4.534 50 0 GJAARN CC(=O)Nc1ccc(SC[C@H](O)COc2ccc(C(C)(C)C)cc2C)cc1 ZINC000032751025 570791843 /nfs/dbraw/zinc/79/18/43/570791843.db2.gz WFNHOYGMOXSXHU-LJQANCHMSA-N 0 0 387.545 4.783 50 0 GJAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCS[C@H](c2cccs2)CC1 ZINC000219464557 570792650 /nfs/dbraw/zinc/79/26/50/570792650.db2.gz GHXAIZBXBLDWEL-SFHVURJKSA-N 0 0 387.505 4.598 50 0 GJAARN CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 ZINC000036705177 570792966 /nfs/dbraw/zinc/79/29/66/570792966.db2.gz LBPURMUZEXAFJT-UHFFFAOYSA-N 0 0 379.464 4.765 50 0 GJAARN Cc1c(C(=O)N2CCS[C@H](c3cccs3)CC2)cnn1-c1ccccc1 ZINC000219469167 570792965 /nfs/dbraw/zinc/79/29/65/570792965.db2.gz LTPXKKBVPCGMKP-IBGZPJMESA-N 0 0 383.542 4.563 50 0 GJAARN Cc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C2)cc1C ZINC000101071667 570793095 /nfs/dbraw/zinc/79/30/95/570793095.db2.gz SITPCMSPWICDAD-SFHVURJKSA-N 0 0 381.277 4.713 50 0 GJAARN CCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)c(NCCOC)n21 ZINC000065319380 570793291 /nfs/dbraw/zinc/79/32/91/570793291.db2.gz NRGHEAFBBWCRFU-UHFFFAOYSA-N 0 0 381.501 4.981 50 0 GJAARN COc1cc(OC)c(NC(=O)CCc2nc3ccccc3s2)cc1Cl ZINC000011601548 570795598 /nfs/dbraw/zinc/79/55/98/570795598.db2.gz MTNBXJNRYSQFHN-UHFFFAOYSA-N 0 0 376.865 4.538 50 0 GJAARN CCCCC1CCC(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000032760616 570795753 /nfs/dbraw/zinc/79/57/53/570795753.db2.gz PAAYDXJQAXBLRH-MHJFOBGBSA-N 0 0 386.584 4.707 50 0 GJAARN CC(C)c1ccc(C(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000018037637 570796654 /nfs/dbraw/zinc/79/66/54/570796654.db2.gz KGMWTTNYLXGPLC-UHFFFAOYSA-N 0 0 398.553 4.962 50 0 GJAARN CCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000007126902 570798734 /nfs/dbraw/zinc/79/87/34/570798734.db2.gz VIKOIAGPQMLKKD-ZDUSSCGKSA-N 0 0 386.908 4.738 50 0 GJAARN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)n[nH]2)cc1 ZINC000005867200 570798946 /nfs/dbraw/zinc/79/89/46/570798946.db2.gz GMUXFXSHPDTQOL-LLVKDONJSA-N 0 0 390.871 4.692 50 0 GJAARN O=C(c1cccc(Nc2c(-c3ccccc3)nc3cnccn32)c1)N1CCCCC1 ZINC000065322659 570800556 /nfs/dbraw/zinc/80/05/56/570800556.db2.gz JKHHMJDLOJSJIU-UHFFFAOYSA-N 0 0 397.482 4.766 50 0 GJAARN O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccc(F)c1 ZINC000022191391 570801119 /nfs/dbraw/zinc/80/11/19/570801119.db2.gz SUOPNOWODWFRRU-UHFFFAOYSA-N 0 0 391.265 4.888 50 0 GJAARN C[C@@H](NC(=O)CCSc1nc2ccccc2s1)c1ccc(F)cc1F ZINC000032768621 570803439 /nfs/dbraw/zinc/80/34/39/570803439.db2.gz UQMNDEWEIZIWKP-LLVKDONJSA-N 0 0 378.469 4.934 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)s1 ZINC000033078436 570805008 /nfs/dbraw/zinc/80/50/08/570805008.db2.gz GPAFTRIACSCHOO-INIZCTEOSA-N 0 0 394.544 4.726 50 0 GJAARN CC(=O)c1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C ZINC000135098362 570806757 /nfs/dbraw/zinc/80/67/57/570806757.db2.gz YPXNOSAJCBOLFD-UHFFFAOYSA-N 0 0 375.350 4.879 50 0 GJAARN CCc1ccc(-c2nc(S[C@@H](C(=O)N(CC)CC)c3ccccc3)n[nH]2)cc1 ZINC000007150655 570806995 /nfs/dbraw/zinc/80/69/95/570806995.db2.gz NRTFXZNYFAHLSC-LJQANCHMSA-N 0 0 394.544 4.736 50 0 GJAARN COc1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn32)cc1OC ZINC000013956924 570808219 /nfs/dbraw/zinc/80/82/19/570808219.db2.gz UUSPFMRAONMQTN-UHFFFAOYSA-N 0 0 388.452 4.690 50 0 GJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000013961059 570808652 /nfs/dbraw/zinc/80/86/52/570808652.db2.gz CWYCLSCOGMRKRA-AWEZNQCLSA-N 0 0 387.625 4.918 50 0 GJAARN CCCCN(C(=O)c1ccccc1Cl)c1nc(C)c(C(=O)OCC)s1 ZINC000013961318 570808662 /nfs/dbraw/zinc/80/86/62/570808662.db2.gz OXYKLIXAHJNHLW-UHFFFAOYSA-N 0 0 380.897 4.729 50 0 GJAARN CCc1cccc(C)c1NC(=S)N1CCn2cccc2[C@@H]1c1cccnc1 ZINC000004659433 570809757 /nfs/dbraw/zinc/80/97/57/570809757.db2.gz FJRSAVTYRBKMSJ-NRFANRHFSA-N 0 0 376.529 4.556 50 0 GJAARN CCc1cccc(C)c1NC(=S)N1CCn2cccc2[C@H]1c1ccncc1 ZINC000004659424 570809802 /nfs/dbraw/zinc/80/98/02/570809802.db2.gz CPXSQUXKNTWJNW-OAQYLSRUSA-N 0 0 376.529 4.556 50 0 GJAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 ZINC000005965630 570810220 /nfs/dbraw/zinc/81/02/20/570810220.db2.gz MGMDGDIJTYZASL-ACJLOTCBSA-N 0 0 389.521 4.751 50 0 GJAARN COc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000101095142 570811921 /nfs/dbraw/zinc/81/19/21/570811921.db2.gz NTQFLASBQILTGC-UHFFFAOYSA-N 0 0 392.455 4.799 50 0 GJAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cc(C)nc(C(C)C)n1 ZINC000063440363 570812210 /nfs/dbraw/zinc/81/22/10/570812210.db2.gz ONQJYFREQDBGMU-UHFFFAOYSA-N 0 0 384.480 4.656 50 0 GJAARN Cc1ccc(C(=O)OCCCOc2ccc(F)cc2)cc1NC(=O)c1ccco1 ZINC000005994800 570812560 /nfs/dbraw/zinc/81/25/60/570812560.db2.gz YDIRVJFRFAMZPA-UHFFFAOYSA-N 0 0 397.402 4.605 50 0 GJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2ccccc2o1 ZINC000007191789 570813386 /nfs/dbraw/zinc/81/33/86/570813386.db2.gz VWPRGBBZXKWEJO-LBPRGKRZSA-N 0 0 383.498 4.749 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 ZINC000052773091 570814558 /nfs/dbraw/zinc/81/45/58/570814558.db2.gz XUTYTPGDYZWQOH-LJQANCHMSA-N 0 0 380.488 4.608 50 0 GJAARN CCOc1ccccc1-n1c(N)c(C(=O)Nc2ccc(F)cc2)sc1=S ZINC000006026724 570814776 /nfs/dbraw/zinc/81/47/76/570814776.db2.gz LLJXOSLJPASZKO-UHFFFAOYSA-N 0 0 389.477 4.641 50 0 GJAARN CCC(=O)Nc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1 ZINC000006026102 570814887 /nfs/dbraw/zinc/81/48/87/570814887.db2.gz IGIJWKRYBUHTRW-UHFFFAOYSA-N 0 0 386.459 4.524 50 0 GJAARN Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000032795341 570815480 /nfs/dbraw/zinc/81/54/80/570815480.db2.gz YVKIOXOUFYJENN-QVKFZJNVSA-N 0 0 394.496 4.935 50 0 GJAARN Cc1nn(CCNC(=O)c2ccccc2C(F)(F)F)c(C)c1-c1ccccc1 ZINC000238943474 570815529 /nfs/dbraw/zinc/81/55/29/570815529.db2.gz WFGDRHNOQKVFFE-UHFFFAOYSA-N 0 0 387.405 4.616 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1ccc(F)cc1F ZINC000033128756 570818016 /nfs/dbraw/zinc/81/80/16/570818016.db2.gz XGGRRYUUJRVYGU-UHFFFAOYSA-N 0 0 393.393 4.812 50 0 GJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\Nc2ccccc2)c1 ZINC000004672525 570819511 /nfs/dbraw/zinc/81/95/11/570819511.db2.gz SGHLRPZAWDICIJ-RWEWTDSWSA-N 0 0 385.423 4.627 50 0 GJAARN CC(C)c1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000014095376 570821877 /nfs/dbraw/zinc/82/18/77/570821877.db2.gz ZIUXZLXKLQSIGH-JOCHJYFZSA-N 0 0 389.528 4.726 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000007264084 570822109 /nfs/dbraw/zinc/82/21/09/570822109.db2.gz UPJOHXCSAPSRIR-IBGZPJMESA-N 0 0 380.488 4.994 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000032808959 570823109 /nfs/dbraw/zinc/82/31/09/570823109.db2.gz WMBHZDWEXRFXHJ-HNNXBMFYSA-N 0 0 394.471 4.760 50 0 GJAARN CC(C)COc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000012507713 570823835 /nfs/dbraw/zinc/82/38/35/570823835.db2.gz DZMCLQCQZSTHOF-HXUWFJFHSA-N 0 0 397.906 4.628 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140135 570826884 /nfs/dbraw/zinc/82/68/84/570826884.db2.gz FYTKVBHTCSCWEJ-UHFFFAOYSA-N 0 0 382.419 4.925 50 0 GJAARN CCOc1ccccc1NC(=O)Cn1c2ccccc2nc1SCC(C)C ZINC000012520346 570827117 /nfs/dbraw/zinc/82/71/17/570827117.db2.gz FNGLOJVCLVMKRF-UHFFFAOYSA-N 0 0 383.517 4.822 50 0 GJAARN COc1ccc(-c2nnc(SCc3nc(-c4ccc(C)c(F)c4)no3)o2)cc1 ZINC000014196448 570828739 /nfs/dbraw/zinc/82/87/39/570828739.db2.gz PSHJKLHPKPVAHB-UHFFFAOYSA-N 0 0 398.419 4.535 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N(C)Cc3c(F)cccc3Cl)cs2)o1 ZINC000032816088 570828803 /nfs/dbraw/zinc/82/88/03/570828803.db2.gz IYXLRFQGWHHIPC-UHFFFAOYSA-N 0 0 378.856 4.705 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000007319004 570829330 /nfs/dbraw/zinc/82/93/30/570829330.db2.gz ZUDHIAZDERSZDF-UHFFFAOYSA-N 0 0 383.451 4.654 50 0 GJAARN CC(C)[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000101718391 570829894 /nfs/dbraw/zinc/82/98/94/570829894.db2.gz AVEUTLSOFMFGRF-OAHLLOKOSA-N 0 0 394.313 4.749 50 0 GJAARN Cc1ccc(N2CCN(c3nc(C)nc4sc5c(c43)CCCC5)C[C@@H]2C)cc1 ZINC000004684907 570830750 /nfs/dbraw/zinc/83/07/50/570830750.db2.gz YVYAHIDEPJITOX-INIZCTEOSA-N 0 0 392.572 4.902 50 0 GJAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)noc1C ZINC000012526794 570831722 /nfs/dbraw/zinc/83/17/22/570831722.db2.gz PFJDZQORHRFUGO-UHFFFAOYSA-N 0 0 383.414 4.728 50 0 GJAARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(C2SCCS2)c1 ZINC000065537621 570831697 /nfs/dbraw/zinc/83/16/97/570831697.db2.gz ITDJSGIQTXEZFT-UHFFFAOYSA-N 0 0 383.489 4.555 50 0 GJAARN Cc1ccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)co2)c(C)c1 ZINC000012527410 570832686 /nfs/dbraw/zinc/83/26/86/570832686.db2.gz JJBZXGVOVUKDNV-UHFFFAOYSA-N 0 0 381.907 4.934 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3ccc(SC)cc3)n2)cc1OC ZINC000004517605 570834157 /nfs/dbraw/zinc/83/41/57/570834157.db2.gz MVBZNYKLLYBRJL-UHFFFAOYSA-N 0 0 386.498 4.802 50 0 GJAARN CC(C)(C)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000004687488 570834185 /nfs/dbraw/zinc/83/41/85/570834185.db2.gz NCDJZLKKSXCZET-GZTJUZNOSA-N 0 0 386.904 4.954 50 0 GJAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000065554137 570834356 /nfs/dbraw/zinc/83/43/56/570834356.db2.gz KVRNYKLOABIEJB-UHFFFAOYSA-N 0 0 392.547 4.599 50 0 GJAARN COc1ccc(Cl)cc1CN(C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000012532850 570834491 /nfs/dbraw/zinc/83/44/91/570834491.db2.gz RJRZIEIYRREYAO-LLVKDONJSA-N 0 0 390.940 4.745 50 0 GJAARN CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1 ZINC000012535898 570835604 /nfs/dbraw/zinc/83/56/04/570835604.db2.gz VLTMSNFIRHRVHI-UHFFFAOYSA-N 0 0 389.427 4.755 50 0 GJAARN O=C(Nc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1)c1cccs1 ZINC000014240830 570836045 /nfs/dbraw/zinc/83/60/45/570836045.db2.gz UJKKNSWBRVOIKB-UHFFFAOYSA-N 0 0 384.888 4.626 50 0 GJAARN Cc1ccc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)s1 ZINC000007392812 570837028 /nfs/dbraw/zinc/83/70/28/570837028.db2.gz NMGXMGUXSSDDKM-UHFFFAOYSA-N 0 0 395.303 4.844 50 0 GJAARN Fc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(C(F)(F)F)nn32)cc1F ZINC000101915743 570837567 /nfs/dbraw/zinc/83/75/67/570837567.db2.gz ZSCKRHBAOJTRKI-OAHLLOKOSA-N 0 0 378.304 4.631 50 0 GJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000007405710 570837676 /nfs/dbraw/zinc/83/76/76/570837676.db2.gz BZMHUOYBBBBDRQ-UHFFFAOYSA-N 0 0 379.787 4.558 50 0 GJAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(SCc2cccs2)s1 ZINC000032823811 570837975 /nfs/dbraw/zinc/83/79/75/570837975.db2.gz JQLMXDARQJHWIC-DGCLKSJQSA-N 0 0 399.632 4.679 50 0 GJAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C ZINC000012539305 570838214 /nfs/dbraw/zinc/83/82/14/570838214.db2.gz XVMCFMVJDWZZKO-JOCHJYFZSA-N 0 0 391.515 4.806 50 0 GJAARN Cc1sc2nc(S[C@@H](C)C(=O)Nc3cc(C)ccc3C)nc(N)c2c1C ZINC000012539267 570838317 /nfs/dbraw/zinc/83/83/17/570838317.db2.gz UOFVKSOMRXPAAG-ZDUSSCGKSA-N 0 0 386.546 4.626 50 0 GJAARN CC(C)N(C(=O)[C@@H](C)Sc1nnc(Nc2ccc(F)cc2)s1)C(C)C ZINC000032824136 570838426 /nfs/dbraw/zinc/83/84/26/570838426.db2.gz TWWYIEBUCOFGGD-GFCCVEGCSA-N 0 0 382.530 4.547 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)c(C)c1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946197 570838694 /nfs/dbraw/zinc/83/86/94/570838694.db2.gz MGWFAPXFMSFDLI-QGZVFWFLSA-N 0 0 393.462 4.609 50 0 GJAARN Cc1c2ccccc2oc1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 ZINC000014253399 570838817 /nfs/dbraw/zinc/83/88/17/570838817.db2.gz IJBPAKZZWKXVCL-UHFFFAOYSA-N 0 0 390.468 4.705 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)cc1C)C(=O)[C@H]1CCCC1=N2 ZINC000101945621 570838827 /nfs/dbraw/zinc/83/88/27/570838827.db2.gz DTAFTYJQBOZTOD-KRWDZBQOSA-N 0 0 393.462 4.609 50 0 GJAARN CCc1ccccc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@@H]2C1=O ZINC000101946533 570839168 /nfs/dbraw/zinc/83/91/68/570839168.db2.gz DLNSQOWAZVNHRV-SFHVURJKSA-N 0 0 389.499 4.724 50 0 GJAARN O=C(CSc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 ZINC000003221830 570839258 /nfs/dbraw/zinc/83/92/58/570839258.db2.gz FDKNYMUZHFAYAD-QGZVFWFLSA-N 0 0 376.319 4.735 50 0 GJAARN CC(C)c1ccc(NC(=O)CN2c3ccccc3N=C3CCC[C@@H]3C2=O)cc1 ZINC000101947254 570839597 /nfs/dbraw/zinc/83/95/97/570839597.db2.gz CJJUXDJXXJOONB-SFHVURJKSA-N 0 0 375.472 4.668 50 0 GJAARN COc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(OC)c1C ZINC000032819144 570841090 /nfs/dbraw/zinc/84/10/90/570841090.db2.gz RAOCMBZMBWXRIT-UHFFFAOYSA-N 0 0 387.526 4.978 50 0 GJAARN Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)nc21 ZINC000007424521 570841322 /nfs/dbraw/zinc/84/13/22/570841322.db2.gz 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ZINC000007487575 570850705 /nfs/dbraw/zinc/85/07/05/570850705.db2.gz FJPMBXQVDWDBET-UHFFFAOYSA-N 0 0 375.497 4.592 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000012550207 570851886 /nfs/dbraw/zinc/85/18/86/570851886.db2.gz UYECJRMYRWSZLF-MRXNPFEDSA-N 0 0 393.249 4.777 50 0 GJAARN C[C@H](c1cccs1)N(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000032845089 570852412 /nfs/dbraw/zinc/85/24/12/570852412.db2.gz FOZSZSCRDLPAAY-MRXNPFEDSA-N 0 0 391.496 4.808 50 0 GJAARN COc1cc2ccccc2cc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000014635477 570853215 /nfs/dbraw/zinc/85/32/15/570853215.db2.gz AZEXDZRAGIZTGT-HSZRJFAPSA-N 0 0 391.467 4.747 50 0 GJAARN COc1cc(OC)cc(C2N=NC(=S)N2c2ccc(Cl)cc2Cl)c1 ZINC000004708040 570854997 /nfs/dbraw/zinc/85/49/97/570854997.db2.gz ODFFHNLLXILFFC-UHFFFAOYSA-N 0 0 382.272 4.547 50 0 GJAARN CSc1ncccc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1 ZINC000014696213 570855164 /nfs/dbraw/zinc/85/51/64/570855164.db2.gz ZBBFGFOZUBALIS-UHFFFAOYSA-N 0 0 388.543 4.508 50 0 GJAARN O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1cc2c(cc1Cl)OCO2 ZINC000032858196 570856023 /nfs/dbraw/zinc/85/60/23/570856023.db2.gz XPSRVDZKJSHPGC-UHFFFAOYSA-N 0 0 394.814 4.721 50 0 GJAARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000102668633 570856422 /nfs/dbraw/zinc/85/64/22/570856422.db2.gz VFNQOAPGBCNWCB-MGPUTAFESA-N 0 0 376.847 4.997 50 0 GJAARN C[C@@H](Sc1ncnc2ccsc21)C(=O)c1ccc(Br)cc1 ZINC000032850644 570857029 /nfs/dbraw/zinc/85/70/29/570857029.db2.gz OQEPLMSYFJGQEY-SECBINFHSA-N 0 0 379.304 4.817 50 0 GJAARN Cc1sc2[nH]c(CSc3nc4ccccc4n3CC(C)C)nc(=O)c2c1C ZINC000003328794 570857191 /nfs/dbraw/zinc/85/71/91/570857191.db2.gz VFILJRBKKLYJQB-UHFFFAOYSA-N 0 0 398.557 4.899 50 0 GJAARN Cc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1C ZINC000004710960 570857329 /nfs/dbraw/zinc/85/73/29/570857329.db2.gz HGMUVVOMIBWOOT-UHFFFAOYSA-N 0 0 387.439 4.833 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1 ZINC000102721985 570858584 /nfs/dbraw/zinc/85/85/84/570858584.db2.gz QSQZKWXPNBEXBZ-IERDGZPVSA-N 0 0 387.439 4.994 50 0 GJAARN COc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1OC ZINC000102725233 570858669 /nfs/dbraw/zinc/85/86/69/570858669.db2.gz QLAYCYWBXCOEAD-UHFFFAOYSA-N 0 0 393.468 4.594 50 0 GJAARN Cc1cc(C)cc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000033255227 570862828 /nfs/dbraw/zinc/86/28/28/570862828.db2.gz WGUYURGQUPHUDJ-UHFFFAOYSA-N 0 0 376.460 4.765 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000033255274 570862849 /nfs/dbraw/zinc/86/28/49/570862849.db2.gz SDLUITNHVWUZGD-UHFFFAOYSA-N 0 0 394.450 4.850 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC=C(c2ccccc2)CC1 ZINC000003378775 570863867 /nfs/dbraw/zinc/86/38/67/570863867.db2.gz MVPCFRUYJFBZJC-HNNXBMFYSA-N 0 0 385.305 4.565 50 0 GJAARN Cc1cc2occ(CC(=O)Nc3ccc(C(=O)NC4CC4)cc3)c2cc1C(C)C ZINC000032869247 570864450 /nfs/dbraw/zinc/86/44/50/570864450.db2.gz SPZGCKADRAXTTL-UHFFFAOYSA-N 0 0 390.483 4.938 50 0 GJAARN C/C=C\c1ccc(OCCCn2c3ccccc3nc2[C@@H](O)CC)c(OC)c1 ZINC000102815694 570865424 /nfs/dbraw/zinc/86/54/24/570865424.db2.gz XCEQAUJTPZUSDZ-WVPUOPKMSA-N 0 0 380.488 4.991 50 0 GJAARN C[C@H](c1nccs1)N(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000014959317 570866263 /nfs/dbraw/zinc/86/62/63/570866263.db2.gz COHLDLYMRNLHIM-CYBMUJFWSA-N 0 0 395.459 4.847 50 0 GJAARN CCOc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc32)cc1 ZINC000044169670 570867802 /nfs/dbraw/zinc/86/78/02/570867802.db2.gz BCROJFWHBJEPNZ-UHFFFAOYSA-N 0 0 393.512 4.566 50 0 GJAARN CSc1ccccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 ZINC000012563495 570868957 /nfs/dbraw/zinc/86/89/57/570868957.db2.gz ILPKQFUBLIDRLV-UHFFFAOYSA-N 0 0 395.553 4.842 50 0 GJAARN CCc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CCC(=O)NC1CC1 ZINC000037278350 570869239 /nfs/dbraw/zinc/86/92/39/570869239.db2.gz LPANRJWDAMWUMS-UHFFFAOYSA-N 0 0 389.499 4.747 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1C[C@H]1CCCO1 ZINC000012564335 570869395 /nfs/dbraw/zinc/86/93/95/570869395.db2.gz TULYYVJKZGEUEJ-ACJLOTCBSA-N 0 0 377.271 4.739 50 0 GJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1)N1CCCC1 ZINC000037279401 570869730 /nfs/dbraw/zinc/86/97/30/570869730.db2.gz MIHFCENNAHZABR-UHFFFAOYSA-N 0 0 390.527 4.575 50 0 GJAARN CCO[C@H](C)c1nc(COc2ccc(Cl)cc2-c2nc(C)no2)cs1 ZINC000170613156 570870555 /nfs/dbraw/zinc/87/05/55/570870555.db2.gz IBJMJQDTCZQTCT-SNVBAGLBSA-N 0 0 379.869 4.831 50 0 GJAARN Cc1ccc(C2=Nc3nnnn3[C@H](c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000102949365 570871713 /nfs/dbraw/zinc/87/17/13/570871713.db2.gz XFEVBAKZZBPGMW-QFIPXVFZSA-N 0 0 381.439 4.830 50 0 GJAARN Cc1nc2cc(C(=O)Nc3nccc4ccncc43)ccc2n1-c1ccccc1 ZINC000170614294 570872289 /nfs/dbraw/zinc/87/22/89/570872289.db2.gz NHRJTLFCSHKPDE-UHFFFAOYSA-N 0 0 379.423 4.529 50 0 GJAARN C[C@@H](CC(=O)N(Cc1cccs1)Cc1cccs1)NC(=O)c1ccccc1 ZINC000024465947 570873105 /nfs/dbraw/zinc/87/31/05/570873105.db2.gz MLVHROKKCGHVRQ-INIZCTEOSA-N 0 0 398.553 4.547 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000012576733 570875872 /nfs/dbraw/zinc/87/58/72/570875872.db2.gz UJDQDVYHWSZJLA-UHFFFAOYSA-N 0 0 394.858 4.809 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000012580047 570876912 /nfs/dbraw/zinc/87/69/12/570876912.db2.gz MJXQTHLMHYAOHL-INIZCTEOSA-N 0 0 375.259 4.638 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@@H](NCc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000012580665 570877830 /nfs/dbraw/zinc/87/78/30/570877830.db2.gz FVKTYOBVPFOAMQ-DEOSSOPVSA-N 0 0 398.510 4.660 50 0 GJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc3c(c2)-c2ccccc2C3)no1 ZINC000012581729 570878625 /nfs/dbraw/zinc/87/86/25/570878625.db2.gz OBIAPIFUFPMNDO-UHFFFAOYSA-N 0 0 397.434 4.781 50 0 GJAARN Cc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1 ZINC000033262533 570878698 /nfs/dbraw/zinc/87/86/98/570878698.db2.gz VTXPFJAXMHNRGU-UHFFFAOYSA-N 0 0 378.432 4.933 50 0 GJAARN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(C1CC1)C1CCCCC1 ZINC000170622936 570880115 /nfs/dbraw/zinc/88/01/15/570880115.db2.gz HYLNIDDYSVGGOM-UHFFFAOYSA-N 0 0 379.382 4.693 50 0 GJAARN Cc1ccc(-c2noc(CN(C)Cc3ccccc3N3CCCCC3)n2)cc1 ZINC000012586306 570881809 /nfs/dbraw/zinc/88/18/09/570881809.db2.gz HUOWIYYRFXDOBH-UHFFFAOYSA-N 0 0 376.504 4.667 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000012595529 570884599 /nfs/dbraw/zinc/88/45/99/570884599.db2.gz NBHVJJCMPKDAMC-FZKQIMNGSA-N 0 0 377.271 4.739 50 0 GJAARN CCn1c2ccccc2c2cc(CN(C)C(=O)CSc3ccncc3)ccc21 ZINC000012597237 570884980 /nfs/dbraw/zinc/88/49/80/570884980.db2.gz PMUZVFVGTPBUBV-UHFFFAOYSA-N 0 0 389.524 4.960 50 0 GJAARN O=C(CCc1nc2ccccc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012601680 570886889 /nfs/dbraw/zinc/88/68/89/570886889.db2.gz BTNNIDCQCSYLOH-UHFFFAOYSA-N 0 0 390.512 4.511 50 0 GJAARN Cc1noc(C)c1CSCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012603064 570887426 /nfs/dbraw/zinc/88/74/26/570887426.db2.gz QRALXHHRWYNHNQ-UHFFFAOYSA-N 0 0 392.484 4.707 50 0 GJAARN COc1ccccc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267683 570889158 /nfs/dbraw/zinc/88/91/58/570889158.db2.gz SZICXRLBLCMXNH-SFHVURJKSA-N 0 0 386.455 4.525 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000010254560 570893194 /nfs/dbraw/zinc/89/31/94/570893194.db2.gz GELLAIWFJKRNDZ-UHFFFAOYSA-N 0 0 378.806 4.871 50 0 GJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccs1 ZINC000032900590 570894592 /nfs/dbraw/zinc/89/45/92/570894592.db2.gz FIZCAFOMYPEJES-INIZCTEOSA-N 0 0 378.497 4.763 50 0 GJAARN CC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)s1 ZINC000032900645 570894862 /nfs/dbraw/zinc/89/48/62/570894862.db2.gz QZKLHYRURHGZAR-UHFFFAOYSA-N 0 0 379.441 4.847 50 0 GJAARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013331251 570895861 /nfs/dbraw/zinc/89/58/61/570895861.db2.gz YAPKBJZLEGBPOM-UHFFFAOYSA-N 0 0 396.510 4.778 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000015576314 570897722 /nfs/dbraw/zinc/89/77/22/570897722.db2.gz RONWLUQVBUVBCB-GOSISDBHSA-N 0 0 388.439 4.904 50 0 GJAARN COc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc(Cl)c1O 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50 0 GJAARN O[C@@H](COc1ccccc1)Cn1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000015860782 570907029 /nfs/dbraw/zinc/90/70/29/570907029.db2.gz YXWRHEOVDJCLSE-GOSISDBHSA-N 0 0 392.886 4.720 50 0 GJAARN O[C@H](COc1ccccc1)Cn1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000015860783 570907182 /nfs/dbraw/zinc/90/71/82/570907182.db2.gz YXWRHEOVDJCLSE-SFHVURJKSA-N 0 0 392.886 4.720 50 0 GJAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)o1 ZINC000015860452 570907249 /nfs/dbraw/zinc/90/72/49/570907249.db2.gz GMEULRRBMCLEQA-FQEVSTJZSA-N 0 0 393.487 4.508 50 0 GJAARN O=C(/C=C/c1cccc(F)c1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000016700405 570907315 /nfs/dbraw/zinc/90/73/15/570907315.db2.gz NRMQXMPTMURLSO-RMKNXTFCSA-N 0 0 389.352 4.741 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC[C@@H](C)C2)cc1 ZINC000023114518 570908221 /nfs/dbraw/zinc/90/82/21/570908221.db2.gz GDQCSSOWEPIINT-MRXNPFEDSA-N 0 0 398.503 4.751 50 0 GJAARN CSc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000097212622 570908263 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/nfs/dbraw/zinc/92/80/72/570928072.db2.gz CCTCNIQXZRICPC-UHFFFAOYSA-N 0 0 389.480 4.938 50 0 GJAARN Cc1cccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)c1 ZINC000004072366 570929517 /nfs/dbraw/zinc/92/95/17/570929517.db2.gz MXPMXIPCXPLVPI-UHFFFAOYSA-N 0 0 394.283 4.838 50 0 GJAARN Cc1cccc2c(=O)[nH]c(CN[C@@H](C)c3cc(F)c(Cl)cc3Cl)nc12 ZINC000016694829 570931270 /nfs/dbraw/zinc/93/12/70/570931270.db2.gz ZNGCSCRLULEKND-JTQLQIEISA-N 0 0 380.250 4.528 50 0 GJAARN O=C(NCCc1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000012639700 570932644 /nfs/dbraw/zinc/93/26/44/570932644.db2.gz YYZFNRJSLCYBFK-UHFFFAOYSA-N 0 0 382.916 5.000 50 0 GJAARN CCCCOc1c(Cl)cc(C(=O)Nc2nnc(SC)s2)cc1Cl ZINC000016751578 570932622 /nfs/dbraw/zinc/93/26/22/570932622.db2.gz GNHGSMQGKJVJPY-UHFFFAOYSA-N 0 0 392.333 4.998 50 0 GJAARN CC(C)n1c2ccccc2nc1SCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000012640160 570933055 /nfs/dbraw/zinc/93/30/55/570933055.db2.gz IWBBEWZOKGSDHH-KRWDZBQOSA-N 0 0 381.545 4.847 50 0 GJAARN CC(=O)N[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccc(C)cc1 ZINC000012640323 570934010 /nfs/dbraw/zinc/93/40/10/570934010.db2.gz ARTDDQSIPZGBQM-HSZRJFAPSA-N 0 0 387.483 4.945 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 ZINC000016841201 570934049 /nfs/dbraw/zinc/93/40/49/570934049.db2.gz FNXGVGGFWGTORO-UHFFFAOYSA-N 0 0 392.459 4.575 50 0 GJAARN COc1ccc(Cl)cc1Nc1nc2ccccc2c(NC[C@@H]2CCCO2)n1 ZINC000002876568 570934258 /nfs/dbraw/zinc/93/42/58/570934258.db2.gz RTECYYUXOIJBGJ-AWEZNQCLSA-N 0 0 384.867 4.626 50 0 GJAARN CCC(=O)Nc1ccc(CNC(=O)CCc2cccc(Cl)c2Cl)cc1 ZINC000032924584 570936108 /nfs/dbraw/zinc/93/61/08/570936108.db2.gz QTWVZDYDAIQOEI-UHFFFAOYSA-N 0 0 379.287 4.591 50 0 GJAARN O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccccc1Cl ZINC000017016959 570937091 /nfs/dbraw/zinc/93/70/91/570937091.db2.gz MKNASGPGWZJLCN-UHFFFAOYSA-N 0 0 379.869 4.875 50 0 GJAARN COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1OC ZINC000017120938 570941687 /nfs/dbraw/zinc/94/16/87/570941687.db2.gz XZNONPMPTPGDEH-UHFFFAOYSA-N 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COc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 ZINC000033278944 570953297 /nfs/dbraw/zinc/95/32/97/570953297.db2.gz KGNDEMCFNUKCMV-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN COc1cccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)c1 ZINC000033289019 570956452 /nfs/dbraw/zinc/95/64/52/570956452.db2.gz NZRZABUDPBEDHR-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN Cc1cccc(-c2nc(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)no2)c1 ZINC000033281852 570957413 /nfs/dbraw/zinc/95/74/13/570957413.db2.gz JUWLJSKOFVZWPA-UHFFFAOYSA-N 0 0 381.863 4.718 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1 ZINC000012062950 570957625 /nfs/dbraw/zinc/95/76/25/570957625.db2.gz ISRGRFQZJRFWNN-UHFFFAOYSA-N 0 0 383.473 4.645 50 0 GJAARN COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccccc1 ZINC000012062705 570957716 /nfs/dbraw/zinc/95/77/16/570957716.db2.gz SEBKKQHLTVDYGH-BUHFOSPRSA-N 0 0 384.372 4.568 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cccc2ccccc21 ZINC000004747011 570958689 /nfs/dbraw/zinc/95/86/89/570958689.db2.gz 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/nfs/dbraw/zinc/96/13/10/570961310.db2.gz ANAQUWLFBLJWMO-UHFFFAOYSA-N 0 0 384.592 4.724 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000033298826 570962440 /nfs/dbraw/zinc/96/24/40/570962440.db2.gz QKFFFHBVGLYYBS-UHFFFAOYSA-N 0 0 384.935 4.614 50 0 GJAARN Clc1cccc(-c2csc(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)c1 ZINC000033298228 570962505 /nfs/dbraw/zinc/96/25/05/570962505.db2.gz KOVWVYPPFSBPHL-UHFFFAOYSA-N 0 0 397.843 4.833 50 0 GJAARN CCOc1ccc(-c2noc(Cc3nc(-c4cccc(OC)c4)cs3)n2)cc1 ZINC000033298208 570962532 /nfs/dbraw/zinc/96/25/32/570962532.db2.gz QUYOUIBBAARUSG-UHFFFAOYSA-N 0 0 393.468 4.858 50 0 GJAARN CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1 ZINC000047551569 570963885 /nfs/dbraw/zinc/96/38/85/570963885.db2.gz NOZVWDXFJACEOU-LBPRGKRZSA-N 0 0 385.851 4.637 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2oc3c(cccc3F)c2C)C2CC2)c1 ZINC000025807626 570965024 /nfs/dbraw/zinc/96/50/24/570965024.db2.gz IWZRADWNMDQBAC-UHFFFAOYSA-N 0 0 383.419 4.702 50 0 GJAARN 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/nfs/dbraw/zinc/31/74/49/209317449.db2.gz DXVJHIBEXPVCDQ-UHFFFAOYSA-N 0 0 391.217 4.753 50 0 GJAARN Cc1sc2nc(C)nc(SCC(=O)N3CCCc4ccccc43)c2c1C ZINC000001340323 209320874 /nfs/dbraw/zinc/32/08/74/209320874.db2.gz BPFWIOHHWRSYIQ-UHFFFAOYSA-N 0 0 383.542 4.688 50 0 GJAARN COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)cc2c1 ZINC000001248736 209317245 /nfs/dbraw/zinc/31/72/45/209317245.db2.gz FGCSYXAHABEPBX-OAQYLSRUSA-N 0 0 393.874 4.903 50 0 GJAARN c1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cs1 ZINC000010215127 209320210 /nfs/dbraw/zinc/32/02/10/209320210.db2.gz IDJMWUPOOHOZJT-UTKZUKDTSA-N 0 0 376.437 4.719 50 0 GJAARN COc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000001235176 209318112 /nfs/dbraw/zinc/31/81/12/209318112.db2.gz SGEZBEHPGYWTDX-UHFFFAOYSA-N 0 0 389.274 4.834 50 0 GJAARN COc1cccc(-n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCC2)c1 ZINC000001245641 209318045 /nfs/dbraw/zinc/31/80/45/209318045.db2.gz WVGXLWPNKMOODT-UHFFFAOYSA-N 0 0 390.508 4.939 50 0 GJAARN C[C@H]1Cc2ccccc2N1c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 ZINC000001464754 209329728 /nfs/dbraw/zinc/32/97/28/209329728.db2.gz FPOWSBSBNCWUCY-LBPRGKRZSA-N 0 0 390.917 4.712 50 0 GJAARN C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C[C@@H](C)O1 ZINC000001447533 209329121 /nfs/dbraw/zinc/32/91/21/209329121.db2.gz ROEFXBGBQFYOFH-QZTJIDSGSA-N 0 0 384.483 4.701 50 0 GJAARN COc1ccc(C(=O)N[C@@H](Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001446723 209328099 /nfs/dbraw/zinc/32/80/99/209328099.db2.gz LXLHFQLZVAWUGZ-MRXNPFEDSA-N 0 0 387.694 4.542 50 0 biogenic GJAARN COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCC2 ZINC000001218478 209316274 /nfs/dbraw/zinc/31/62/74/209316274.db2.gz MEWMFJGOWKYOFE-UHFFFAOYSA-N 0 0 385.272 4.974 50 0 GJAARN O=C(/C=C/c1ccccc1)Nc1ccc(I)cc1Cl ZINC000001217433 209315790 /nfs/dbraw/zinc/31/57/90/209315790.db2.gz KMRMTOABJWNYHN-RMKNXTFCSA-N 0 0 383.616 4.597 50 0 GJAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccco1 ZINC000001213384 209315296 /nfs/dbraw/zinc/31/52/96/209315296.db2.gz GYTQEGGOWBNSNJ-UHFFFAOYSA-N 0 0 397.843 4.868 50 0 GJAARN CC1(C)Cc2c(sc3c2C(=O)N(c2ccccc2)C2=NCCCN32)CS1 ZINC000001201074 209313679 /nfs/dbraw/zinc/31/36/79/209313679.db2.gz JDRIGJAEAGRICO-UHFFFAOYSA-N 0 0 383.542 4.543 50 0 GJAARN O=C(Nc1cccc(Cl)c1)Nc1ccc(I)cc1F ZINC000001231738 209316747 /nfs/dbraw/zinc/31/67/47/209316747.db2.gz HTVYSBNXFVXMJE-UHFFFAOYSA-N 0 0 390.583 4.728 50 0 GJAARN O=C(Nc1ccc2c(c1)Cc1cc(NC(=O)c3ccco3)ccc1-2)c1ccco1 ZINC000001163489 209309178 /nfs/dbraw/zinc/30/91/78/209309178.db2.gz SQYUHDKXVBYHGD-UHFFFAOYSA-N 0 0 384.391 4.948 50 0 GJAARN Cc1c(OCC(=O)OC(C)(C)C)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000001174886 209310665 /nfs/dbraw/zinc/31/06/65/209310665.db2.gz MMBWCELDPVQCMH-UHFFFAOYSA-N 0 0 394.467 4.721 50 0 GJAARN S=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Cl ZINC000001122033 209303857 /nfs/dbraw/zinc/30/38/57/209303857.db2.gz YUZFCDMYTWCWLX-UHFFFAOYSA-N 0 0 385.670 4.640 50 0 GJAARN Cc1cc(C)cc(NC(=O)COc2cc3oc(=O)c(C)c(C)c3cc2Cl)c1 ZINC000001118708 209302217 /nfs/dbraw/zinc/30/22/17/209302217.db2.gz BNSZJFHRJPHVAV-UHFFFAOYSA-N 0 0 385.847 4.698 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)NCc2ccc(F)cc2)c(Br)c1 ZINC000001114101 209302226 /nfs/dbraw/zinc/30/22/26/209302226.db2.gz DXTBJQINKSXDQG-UHFFFAOYSA-N 0 0 394.284 4.581 50 0 GJAARN O=C(/C=C/c1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001115377 209303091 /nfs/dbraw/zinc/30/30/91/209303091.db2.gz HCYBZCNHUBJKLP-BQYQJAHWSA-N 0 0 394.824 4.721 50 0 GJAARN Cc1ccc(S(=O)(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc1 ZINC000001112480 209301294 /nfs/dbraw/zinc/30/12/94/209301294.db2.gz JGFBBJHGGMCZQA-LJQANCHMSA-N 0 0 382.510 4.597 50 0 GJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000001110978 209300845 /nfs/dbraw/zinc/30/08/45/209300845.db2.gz OBFOSCRLCWQLIB-UHFFFAOYSA-N 0 0 394.544 4.743 50 0 GJAARN O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000001100363 209300126 /nfs/dbraw/zinc/30/01/26/209300126.db2.gz JLXVOSVPQJSGHK-UHFFFAOYSA-N 0 0 384.328 4.637 50 0 GJAARN c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCC3)n2)cn1 ZINC000001079324 209298412 /nfs/dbraw/zinc/29/84/12/209298412.db2.gz FWXXDQCPDAGRPS-UHFFFAOYSA-N 0 0 397.486 4.517 50 0 GJAARN CC(C)(C)c1ccc([C@]23OC(=O)C4(CCCC4)[C@H]2OC(=O)C32CCCC2)cc1 ZINC000001080885 209298483 /nfs/dbraw/zinc/29/84/83/209298483.db2.gz IKFFIXROKMWUGO-KOSHJBKYSA-N 0 0 382.500 4.782 50 0 biogenic GJAARN COc1cc(-c2nc3sc(-c4ccc(O)c(OC)c4)nc3s2)ccc1O ZINC000001082925 209297683 /nfs/dbraw/zinc/29/76/83/209297683.db2.gz DKUNOJAKNUTPPS-UHFFFAOYSA-N 0 0 386.454 4.515 50 0 GJAARN COc1ccccc1NCC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 ZINC000001083968 209297751 /nfs/dbraw/zinc/29/77/51/209297751.db2.gz MVQQIXITEWOMIM-UHFFFAOYSA-N 0 0 383.451 4.978 50 0 GJAARN CCOc1cc(Cl)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1Cl ZINC000001068076 209294918 /nfs/dbraw/zinc/29/49/18/209294918.db2.gz CGOOLVXUCMDUMC-NSHDSACASA-N 0 0 386.300 4.532 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC ZINC000001054999 209294336 /nfs/dbraw/zinc/29/43/36/209294336.db2.gz VPEBSNZZDPBGLN-OAHLLOKOSA-N 0 0 389.451 4.819 50 0 GJAARN COc1ccc([C@H]2c3ccsc3CCN2C(=O)c2ccc(F)cc2F)cc1 ZINC000001046672 209292842 /nfs/dbraw/zinc/29/28/42/209292842.db2.gz FOOQJNVHHDVHOA-FQEVSTJZSA-N 0 0 385.435 4.823 50 0 GJAARN Cn1c(SCc2ccccc2Cl)nnc1-c1csc(-c2cccnc2)n1 ZINC000001040565 209292898 /nfs/dbraw/zinc/29/28/98/209292898.db2.gz HMMXNPFWVKFMEA-UHFFFAOYSA-N 0 0 399.932 4.946 50 0 GJAARN COc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000001034302 209291740 /nfs/dbraw/zinc/29/17/40/209291740.db2.gz XGUQGWADOXTEKV-UHFFFAOYSA-N 0 0 379.382 4.958 50 0 GJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3ccccc3O)cc2)c1 ZINC000001033931 209291197 /nfs/dbraw/zinc/29/11/97/209291197.db2.gz YNLOLPHULVLKDY-UHFFFAOYSA-N 0 0 375.428 4.905 50 0 GJAARN O=C(Oc1c2cccc3c2n(c(=O)c1-c1ccccc1)CCC3)c1ccc(F)cc1 ZINC000001036080 209291242 /nfs/dbraw/zinc/29/12/42/209291242.db2.gz KXKLRWFJEUFNME-UHFFFAOYSA-N 0 0 399.421 4.973 50 0 GJAARN CN(C)c1cccc2c1c(NC(=O)Nc1ccc(Cl)cc1Cl)nn2C ZINC000001032967 209290298 /nfs/dbraw/zinc/29/02/98/209290298.db2.gz QCGAOQSBRDAJNZ-UHFFFAOYSA-N 0 0 378.263 4.590 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)oc1C(F)(F)F ZINC000001029834 209290252 /nfs/dbraw/zinc/29/02/52/209290252.db2.gz ZXGRBKZFTZBKQU-UHFFFAOYSA-N 0 0 375.302 4.946 50 0 GJAARN COc1ccc(-c2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c(OC)c1 ZINC000000995220 209287919 /nfs/dbraw/zinc/28/79/19/209287919.db2.gz XHFPEWDWHRFDRC-UHFFFAOYSA-N 0 0 390.483 4.982 50 0 GJAARN Cn1c(Cc2ccsc2)nnc1Sc1nc2ccc(Cl)cc2s1 ZINC000001031163 209289661 /nfs/dbraw/zinc/28/96/61/209289661.db2.gz SOESZISSFTVYMC-UHFFFAOYSA-N 0 0 378.935 4.882 50 0 GJAARN CCCN(Cc1nc(C(=O)OC)cs1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000962830 209285108 /nfs/dbraw/zinc/28/51/08/209285108.db2.gz YLOOXHWSICBBNM-UHFFFAOYSA-N 0 0 394.496 4.649 50 0 GJAARN CC(C)c1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000951135 209283655 /nfs/dbraw/zinc/28/36/55/209283655.db2.gz BLMUYFSZGPJTAB-UHFFFAOYSA-N 0 0 384.435 4.863 50 0 GJAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)N1CCCCC1 ZINC000000943601 209282003 /nfs/dbraw/zinc/28/20/03/209282003.db2.gz PAENVQVOZHHHHT-UHFFFAOYSA-N 0 0 397.858 4.505 50 0 biogenic GJAARN COc1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C ZINC000000944896 209282377 /nfs/dbraw/zinc/28/23/77/209282377.db2.gz CPNARNXRVHEKID-UHFFFAOYSA-N 0 0 392.293 4.773 50 0 GJAARN Cc1cc(OCc2ccc(Br)cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000000944182 209282240 /nfs/dbraw/zinc/28/22/40/209282240.db2.gz IXDZJPODVUCIJY-UHFFFAOYSA-N 0 0 385.257 4.932 50 0 GJAARN CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000943673 209282316 /nfs/dbraw/zinc/28/23/16/209282316.db2.gz LBMFDTVUOISRBM-UHFFFAOYSA-N 0 0 389.451 4.759 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc(C)c1Cl ZINC000000943450 209282323 /nfs/dbraw/zinc/28/23/23/209282323.db2.gz AOSNJNAQQKKADH-UHFFFAOYSA-N 0 0 375.852 4.540 50 0 GJAARN CC(C)c1ccc(OC[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000000920293 209278864 /nfs/dbraw/zinc/27/88/64/209278864.db2.gz LMWWTOUCLRXKRK-OAHLLOKOSA-N 0 0 378.394 4.618 50 0 GJAARN Cc1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1C ZINC000000911077 209277145 /nfs/dbraw/zinc/27/71/45/209277145.db2.gz PHUNHSXROCDOLH-CQSZACIVSA-N 0 0 377.724 4.903 50 0 GJAARN O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccccc1 ZINC000000855125 209273574 /nfs/dbraw/zinc/27/35/74/209273574.db2.gz SQUBRDVTJIYWBG-OAQYLSRUSA-N 0 0 381.522 4.790 50 0 GJAARN CCOc1cccc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc21 ZINC000000856298 209273334 /nfs/dbraw/zinc/27/33/34/209273334.db2.gz DMQFNJAPYKEZCG-UHFFFAOYSA-N 0 0 383.404 4.593 50 0 GJAARN CCOc1cccc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc21 ZINC000000856297 209272891 /nfs/dbraw/zinc/27/28/91/209272891.db2.gz FFFPOKGZIVFNFC-UHFFFAOYSA-N 0 0 379.441 4.762 50 0 GJAARN CC[C@@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@H]1c1ccc(C)cc1 ZINC000000850771 209271495 /nfs/dbraw/zinc/27/14/95/209271495.db2.gz GUUVHEDKCOVWEZ-FPOVZHCZSA-N 0 0 398.528 4.905 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000000830156 209270845 /nfs/dbraw/zinc/27/08/45/209270845.db2.gz DLWNNPVKUDXYEJ-UHFFFAOYSA-N 0 0 392.846 4.725 50 0 GJAARN COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000000828627 209270700 /nfs/dbraw/zinc/27/07/00/209270700.db2.gz QTJFHGUUWFXVPY-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000799829 209266866 /nfs/dbraw/zinc/26/68/66/209266866.db2.gz HPTUNXJZJQHZRM-HXUWFJFHSA-N 0 0 391.858 4.760 50 0 GJAARN Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc2ccccc21 ZINC000000799825 209266603 /nfs/dbraw/zinc/26/66/03/209266603.db2.gz RYGFZJCKDSPOTL-NRFANRHFSA-N 0 0 387.508 4.580 50 0 GJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccccc1I ZINC000000716878 209261898 /nfs/dbraw/zinc/26/18/98/209261898.db2.gz MXIWDHHACZJRHD-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000000679744 209259598 /nfs/dbraw/zinc/25/95/98/209259598.db2.gz 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COc1cccc(Cn2c(C(=O)NCc3cccc(F)c3)cc3sccc32)c1 ZINC000037587846 205030096 /nfs/dbraw/zinc/03/00/96/205030096.db2.gz MOGKKNHYDXAHKO-UHFFFAOYSA-N 0 0 394.471 4.829 50 0 GJAARN Cc1ccccc1-c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 ZINC000071889734 205030344 /nfs/dbraw/zinc/03/03/44/205030344.db2.gz XJCPRANIZKSYJW-UHFFFAOYSA-N 0 0 399.288 4.904 50 0 GJAARN O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000077200233 205034443 /nfs/dbraw/zinc/03/44/43/205034443.db2.gz NFORMYRNCWNIAV-ZIAGYGMSSA-N 0 0 378.881 4.691 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CN1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000040052262 205049185 /nfs/dbraw/zinc/04/91/85/205049185.db2.gz XVTFAXNONHYXIT-UHFFFAOYSA-N 0 0 395.890 4.558 50 0 GJAARN COc1cc([C@@H](C)NC(=O)/C=C/c2nc3ccccc3o2)ccc1OCC(C)C ZINC000040087665 205051129 /nfs/dbraw/zinc/05/11/29/205051129.db2.gz AIVWRPUIFSXQCR-LPQFERQCSA-N 0 0 394.471 4.762 50 0 GJAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000040105537 205052153 /nfs/dbraw/zinc/05/21/53/205052153.db2.gz 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CCCOC(=O)c1nc2ccccc2nc1Nc1ccc(OC(F)(F)F)cc1 ZINC000045901212 205098751 /nfs/dbraw/zinc/09/87/51/205098751.db2.gz CGHUGSZOWBFIAB-UHFFFAOYSA-N 0 0 391.349 4.839 50 0 GJAARN Cc1cccc(C)c1NC(=O)Cn1cnc2c(sc3cccc(Cl)c32)c1=O ZINC000045942914 205098773 /nfs/dbraw/zinc/09/87/73/205098773.db2.gz ZTDDQTQLLSNPLD-UHFFFAOYSA-N 0 0 397.887 4.520 50 0 GJAARN Cc1cc(Nc2c(C)c(C)nc3nc(-c4ccco4)nn32)ccc1Br ZINC000046913833 205108648 /nfs/dbraw/zinc/10/86/48/205108648.db2.gz WHBLDNCGCQUAJJ-UHFFFAOYSA-N 0 0 398.264 4.816 50 0 GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1Br ZINC000047157900 205110140 /nfs/dbraw/zinc/11/01/40/205110140.db2.gz NASHPDZVXLEXSU-UHFFFAOYSA-N 0 0 386.249 4.621 50 0 GJAARN Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCCC2)c1C(=O)N1CCCC1 ZINC000047519835 205111046 /nfs/dbraw/zinc/11/10/46/205111046.db2.gz MYWWCZOJLUWXRI-FQEVSTJZSA-N 0 0 383.536 4.808 50 0 GJAARN COc1cc(C)ccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000048286001 205116472 /nfs/dbraw/zinc/11/64/72/205116472.db2.gz FLPISDMMBCNTDY-UHFFFAOYSA-N 0 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O=C(NCCc1cccs1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058172503 205166940 /nfs/dbraw/zinc/16/69/40/205166940.db2.gz HVOFEUBBBRAIEG-UHFFFAOYSA-N 0 0 389.496 4.770 50 0 GJAARN COCc1c2ccccc2oc1C(=O)Nc1ccccc1NCC(F)(F)F ZINC000058202924 205168331 /nfs/dbraw/zinc/16/83/31/205168331.db2.gz GHCAFXKUJXBAPS-UHFFFAOYSA-N 0 0 378.350 4.806 50 0 GJAARN O=C(CCCn1c(=O)oc2ccccc21)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000058328530 205171292 /nfs/dbraw/zinc/17/12/92/205171292.db2.gz PUAMDPRIEATZHV-UHFFFAOYSA-N 0 0 398.890 4.614 50 0 GJAARN CCN(CCCSc1ccccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058296848 205171765 /nfs/dbraw/zinc/17/17/65/205171765.db2.gz YFOGQBZPXCADKJ-UHFFFAOYSA-N 0 0 387.936 4.581 50 0 GJAARN O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000058416464 205175102 /nfs/dbraw/zinc/17/51/02/205175102.db2.gz DOOYESRITBLPDL-UHFFFAOYSA-N 0 0 377.394 4.875 50 0 GJAARN Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(F)cc4F)c3)cn2c1 ZINC000058441111 205175973 /nfs/dbraw/zinc/17/59/73/205175973.db2.gz ILKOFJLHRQQMBU-UHFFFAOYSA-N 0 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CCc1ccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1 ZINC000064950057 205202296 /nfs/dbraw/zinc/20/22/96/205202296.db2.gz BGSCEPOYUHRZID-UHFFFAOYSA-N 0 0 394.434 4.665 50 0 GJAARN CCCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccc(C)nc21 ZINC000064963811 205203729 /nfs/dbraw/zinc/20/37/29/205203729.db2.gz OSNOJYFPFIPHST-UHFFFAOYSA-N 0 0 390.270 4.674 50 0 GJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000064984141 205204949 /nfs/dbraw/zinc/20/49/49/205204949.db2.gz WZVVITCHXWKTFM-OAHLLOKOSA-N 0 0 385.938 4.716 50 0 GJAARN Cc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1 ZINC000064990573 205205923 /nfs/dbraw/zinc/20/59/23/205205923.db2.gz YDABWFOMWVSCAU-GOSISDBHSA-N 0 0 399.494 4.908 50 0 GJAARN O=C(Nc1ccc(C2(C(=O)NCc3cccc(F)c3)CCCCC2)cc1)C1CC1 ZINC000065027466 205207060 /nfs/dbraw/zinc/20/70/60/205207060.db2.gz ILQMYMZNWDFTGH-UHFFFAOYSA-N 0 0 394.490 4.693 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1 ZINC000065059155 205208848 /nfs/dbraw/zinc/20/88/48/205208848.db2.gz JLQJBSJAPOPOTQ-QFIPXVFZSA-N 0 0 399.922 4.599 50 0 GJAARN CCc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000065085258 205209392 /nfs/dbraw/zinc/20/93/92/205209392.db2.gz RJVAAKKJZPGEHI-UHFFFAOYSA-N 0 0 385.510 4.704 50 0 GJAARN Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085464 205210112 /nfs/dbraw/zinc/21/01/12/205210112.db2.gz UKBSHPLAPJUEEG-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N[C@H](C)Cc4ccco4)s3)no2)cc1 ZINC000065062955 205210121 /nfs/dbraw/zinc/21/01/21/205210121.db2.gz KVOWVONGAIUCRX-CQSZACIVSA-N 0 0 393.468 4.728 50 0 GJAARN CCc1cccc(NC(=O)CSc2nccnc2Oc2ccc(C)cc2)c1 ZINC000065110968 205210669 /nfs/dbraw/zinc/21/06/69/205210669.db2.gz DKMNMLHDZJNGNT-UHFFFAOYSA-N 0 0 379.485 4.871 50 0 GJAARN COc1cccc(NC(=O)c2cc(NC(=O)C3CCC3)cc3nc(C)ccc32)c1 ZINC000065136056 205212281 /nfs/dbraw/zinc/21/22/81/205212281.db2.gz JMUGWUJCLQGVQJ-UHFFFAOYSA-N 0 0 389.455 4.543 50 0 GJAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000065135488 205212389 /nfs/dbraw/zinc/21/23/89/205212389.db2.gz AOPHVZKZWVZDOD-IBGZPJMESA-N 0 0 375.447 4.611 50 0 GJAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCC3CCCCC3)C2)c1 ZINC000065136576 205213212 /nfs/dbraw/zinc/21/32/12/205213212.db2.gz CFJHQVWYWFEMPD-FQEVSTJZSA-N 0 0 385.552 4.716 50 0 GJAARN Cc1ccc(C)c(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)c1 ZINC000065165143 205214618 /nfs/dbraw/zinc/21/46/18/205214618.db2.gz ZEELTNJGWIGIPK-UHFFFAOYSA-N 0 0 378.501 4.674 50 0 GJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(OCC)cc1 ZINC000064438998 205191040 /nfs/dbraw/zinc/19/10/40/205191040.db2.gz YFRUXKKJSRENPP-UHFFFAOYSA-N 0 0 379.460 4.686 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4C)cc3)n2)cc1 ZINC000064580023 205191500 /nfs/dbraw/zinc/19/15/00/205191500.db2.gz YVLCKYNSNPCXIU-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN O=C(Nc1c(-c2ccncc2)nc2ccccn21)Nc1ccc(F)c(Cl)c1 ZINC000064611208 205192029 /nfs/dbraw/zinc/19/20/29/205192029.db2.gz GBMDAYFCMQUULO-UHFFFAOYSA-N 0 0 381.798 4.833 50 0 GJAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCc1ccccc1 ZINC000064656259 205192227 /nfs/dbraw/zinc/19/22/27/205192227.db2.gz BJFJLDNHKHPAGN-UHFFFAOYSA-N 0 0 378.472 4.868 50 0 GJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cc(C)ccc1OC ZINC000064690434 205193156 /nfs/dbraw/zinc/19/31/56/205193156.db2.gz RTAHITWSNJTPRF-UHFFFAOYSA-N 0 0 379.460 4.874 50 0 GJAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747755 205193979 /nfs/dbraw/zinc/19/39/79/205193979.db2.gz HIYSDWKGGIPXJW-INIZCTEOSA-N 0 0 388.349 4.523 50 0 GJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000064747436 205194263 /nfs/dbraw/zinc/19/42/63/205194263.db2.gz UAOAQSCQMDEHGZ-KRWDZBQOSA-N 0 0 398.850 4.768 50 0 GJAARN Fc1ccc(CNc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064791045 205194777 /nfs/dbraw/zinc/19/47/77/205194777.db2.gz VWMOGFBFURBJIL-UHFFFAOYSA-N 0 0 396.429 4.605 50 0 GJAARN CCOc1ccccc1CNC(=O)c1cc2c3c(ccc2Cl)O[C@@H](CC)Cn13 ZINC000064816631 205196721 /nfs/dbraw/zinc/19/67/21/205196721.db2.gz CZZPHQPVDQXOET-HNNXBMFYSA-N 0 0 398.890 4.794 50 0 GJAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCc1cccc(F)c1 ZINC000064820253 205196732 /nfs/dbraw/zinc/19/67/32/205196732.db2.gz UVGBPZILKYWGJH-UHFFFAOYSA-N 0 0 395.253 4.543 50 0 GJAARN Cc1ccc(-c2nnc(Cc3nc(-c4ccc(OC(C)C)cc4)no3)o2)cc1F ZINC000065185534 205216810 /nfs/dbraw/zinc/21/68/10/205216810.db2.gz QWDIAWQKOXFVQM-UHFFFAOYSA-N 0 0 394.406 4.612 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3ccc(F)c(C)c3)cs2)c2cccnc21 ZINC000065241003 205222571 /nfs/dbraw/zinc/22/25/71/205222571.db2.gz FENGUYMDKHPIEN-UHFFFAOYSA-N 0 0 394.475 4.808 50 0 GJAARN COc1ccccc1OCCNC(=O)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285807 205226491 /nfs/dbraw/zinc/22/64/91/205226491.db2.gz CCOHVKBPKGNYQG-UHFFFAOYSA-N 0 0 384.501 4.635 50 0 GJAARN O=C(NCCC1=CCCCC1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000065296761 205227321 /nfs/dbraw/zinc/22/73/21/205227321.db2.gz BJZILGGEROJHNQ-UHFFFAOYSA-N 0 0 380.879 4.670 50 0 GJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000065331185 205230409 /nfs/dbraw/zinc/23/04/09/205230409.db2.gz XTRUWVLEQYNSCM-GOSISDBHSA-N 0 0 381.863 4.789 50 0 GJAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc(C)cc1 ZINC000065331534 205230514 /nfs/dbraw/zinc/23/05/14/205230514.db2.gz GLMOJUJAARCBOB-IBGZPJMESA-N 0 0 375.472 4.834 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000065320553 205230557 /nfs/dbraw/zinc/23/05/57/205230557.db2.gz BXYLELIDTZXOLW-MRXNPFEDSA-N 0 0 398.850 4.768 50 0 GJAARN CC[C@@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccccc1OC(F)F ZINC000065380368 205231696 /nfs/dbraw/zinc/23/16/96/205231696.db2.gz CZNCGMCFTHSUSC-INIZCTEOSA-N 0 0 385.414 4.516 50 0 GJAARN CCc1nccc(-c2c(-c3ccccc3)ncn2CCCc2ccccc2O)n1 ZINC000065508374 205236970 /nfs/dbraw/zinc/23/69/70/205236970.db2.gz HIUOSUXGYPOATP-UHFFFAOYSA-N 0 0 384.483 4.908 50 0 GJAARN Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)ccc1F ZINC000067296158 205244953 /nfs/dbraw/zinc/24/49/53/205244953.db2.gz HPDPQNSGOYTARM-NMWGTECJSA-N 0 0 379.416 4.822 50 0 GJAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000065184831 205217599 /nfs/dbraw/zinc/21/75/99/205217599.db2.gz JTNCNBCGTJGQLG-UHFFFAOYSA-N 0 0 375.400 4.734 50 0 GJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C)c2C)n1 ZINC000067297837 205245040 /nfs/dbraw/zinc/24/50/40/205245040.db2.gz XCNJTQMDJYDZMW-LCUIJRPUSA-N 0 0 399.450 4.943 50 0 GJAARN O=C(Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccn1 ZINC000065219175 205219015 /nfs/dbraw/zinc/21/90/15/205219015.db2.gz ZJMTZCWWFCJUKH-UHFFFAOYSA-N 0 0 382.832 4.766 50 0 GJAARN CSc1cccc(NC(=O)N2CC=C(c3cn(C)c4ncccc34)CC2)c1 ZINC000065211730 205219054 /nfs/dbraw/zinc/21/90/54/205219054.db2.gz LDNMNIYOSMYRAS-UHFFFAOYSA-N 0 0 378.501 4.616 50 0 GJAARN Cc1ccc(Oc2ncccc2CNc2nc(C(F)(F)F)nc(C)c2C)cn1 ZINC000067641532 205252683 /nfs/dbraw/zinc/25/26/83/205252683.db2.gz OCXWCLYLILLHKP-UHFFFAOYSA-N 0 0 389.381 4.615 50 0 GJAARN CCC[C@H]1CCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 ZINC000067784395 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ZINC000095959813 211286869 /nfs/dbraw/zinc/28/68/69/211286869.db2.gz RKIFDSVDSHPTLF-RUZDIDTESA-N 0 0 398.506 4.892 50 0 GJAARN Cc1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1C ZINC000001059587 209295145 /nfs/dbraw/zinc/29/51/45/209295145.db2.gz ZXKHOTNSHOVMIT-UHFFFAOYSA-N 0 0 376.197 4.625 50 0 GJAARN COc1ccc(NC(=O)c2sc3nccn3c2C)cc1Cc1ccccc1 ZINC000095448705 211240732 /nfs/dbraw/zinc/24/07/32/211240732.db2.gz RFRLLLWRZRAJMX-UHFFFAOYSA-N 0 0 377.469 4.556 50 0 GJAARN CC(C)(C)c1nc(CC(=O)Nc2cc(F)c(Br)cc2F)cs1 ZINC000095435473 211240034 /nfs/dbraw/zinc/24/00/34/211240034.db2.gz DFAWROIHFNIIOT-UHFFFAOYSA-N 0 0 389.265 4.663 50 0 GJAARN Cc1ccc(NC(=O)C[C@@H]2OCCc3ccsc32)c(-c2nc(C3CC3)no2)c1 ZINC000095405799 211238840 /nfs/dbraw/zinc/23/88/40/211238840.db2.gz DDERYNFJZZTLKZ-KRWDZBQOSA-N 0 0 395.484 4.627 50 0 GJAARN COCCn1ccc2c1cccc2NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000095479503 211249290 /nfs/dbraw/zinc/24/92/90/211249290.db2.gz HLHQSSUXSZUQNK-UHFFFAOYSA-N 0 0 381.863 4.535 50 0 GJAARN COc1cccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c1 ZINC000095471178 211245883 /nfs/dbraw/zinc/24/58/83/211245883.db2.gz FGEYVZZIFRZNPN-UHFFFAOYSA-N 0 0 393.462 4.621 50 0 GJAARN COCOc1ccc(OC)cc1CNc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1 ZINC000095455333 211242939 /nfs/dbraw/zinc/24/29/39/211242939.db2.gz VFAWCZZTJXZHKX-OXQOHEQNSA-N 0 0 393.487 4.599 50 0 GJAARN CC(C)[S@@](=O)c1ccc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1 ZINC000095451953 211242461 /nfs/dbraw/zinc/24/24/61/211242461.db2.gz PJOYKGIJUOGPJE-SANMLTNESA-N 0 0 377.481 4.771 50 0 GJAARN Cc1cccc(-c2nc3cc(F)ccc3n2C)c1OCc1noc(C(C)C)n1 ZINC000095452517 211242066 /nfs/dbraw/zinc/24/20/66/211242066.db2.gz PPTUFGBWSXUNHY-UHFFFAOYSA-N 0 0 380.423 4.773 50 0 GJAARN O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2ccc(O)cc2C1 ZINC000095356883 211222371 /nfs/dbraw/zinc/22/23/71/211222371.db2.gz UXVAWIKYOFZLLF-UHFFFAOYSA-N 0 0 387.357 4.870 50 0 GJAARN COc1ccc(-c2nc(-c3cnccn3)sc2-c2ccc(OC)cc2)cc1 ZINC000095364770 211226245 /nfs/dbraw/zinc/22/62/45/211226245.db2.gz XSLNASYPJRVSAZ-UHFFFAOYSA-N 0 0 375.453 4.951 50 0 GJAARN Cc1nc2cc(OCc3nc(C(=O)N[C@H](C)CCC(C)C)co3)ccc2s1 ZINC000091934391 211209869 /nfs/dbraw/zinc/20/98/69/211209869.db2.gz ZWJANHVXSZFLBM-CYBMUJFWSA-N 0 0 387.505 4.726 50 0 GJAARN Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc([C@H]5CCCO5)s4)CC3)nc21 ZINC000091831075 211208487 /nfs/dbraw/zinc/20/84/87/211208487.db2.gz KOYDDWIETROIFT-QGZVFWFLSA-N 0 0 395.528 4.804 50 0 GJAARN Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000091746860 211205040 /nfs/dbraw/zinc/20/50/40/211205040.db2.gz VVRRWXPKZCXLMQ-HXUWFJFHSA-N 0 0 390.462 4.706 50 0 GJAARN CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c1 ZINC000089905236 211186641 /nfs/dbraw/zinc/18/66/41/211186641.db2.gz UECPKRVVCLUCDU-UZLBHIALSA-N 0 0 382.504 4.626 50 0 GJAARN O=C([C@H]1C[C@@H]1c1cccc(F)c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000089774407 211184130 /nfs/dbraw/zinc/18/41/30/211184130.db2.gz KTSOJSVLVTZAGA-MOPGFXCFSA-N 0 0 388.280 4.883 50 0 GJAARN C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@@H](O)c1c(F)cccc1Cl ZINC000089598480 211182477 /nfs/dbraw/zinc/18/24/77/211182477.db2.gz ROALWYGWXDPPHW-NSPYISDASA-N 0 0 391.801 4.730 50 0 GJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4C)nn3c2C)cc1C ZINC000086069810 211180089 /nfs/dbraw/zinc/18/00/89/211180089.db2.gz AWANJYPSKQADLQ-UHFFFAOYSA-N 0 0 399.498 4.515 50 0 GJAARN C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000089573773 211181843 /nfs/dbraw/zinc/18/18/43/211181843.db2.gz MUCHPCQWZXMTIE-OAHLLOKOSA-N 0 0 376.412 4.647 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccncc2)C12CCCCC2 ZINC000079464257 211155787 /nfs/dbraw/zinc/15/57/87/211155787.db2.gz XJZMFYHIRLPWPM-LAUBAEHRSA-N 0 0 391.515 4.761 50 0 GJAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC000075104789 211126668 /nfs/dbraw/zinc/12/66/68/211126668.db2.gz JTPDSGPDGZPFFF-KBXCAEBGSA-N 0 0 377.916 4.522 50 0 GJAARN COc1ccc(S(=O)(=O)N(C)[C@@H](C)CC2CCCCC2)c2c1CCCC2 ZINC000072408062 211113374 /nfs/dbraw/zinc/11/33/74/211113374.db2.gz VLSJIHWOPYGVTD-INIZCTEOSA-N 0 0 379.566 4.553 50 0 GJAARN COc1cccc(NC2=NC(=O)S/C2=C\c2c(C)nc3scc(C)n23)c1 ZINC000072400329 211111623 /nfs/dbraw/zinc/11/16/23/211111623.db2.gz FTJZYXSQZGIVQE-NVNXTCNLSA-N 0 0 384.486 4.740 50 0 GJAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000071844191 211064664 /nfs/dbraw/zinc/06/46/64/211064664.db2.gz YECOARUIDYTSBF-ZWKOTPCHSA-N 0 0 395.528 4.916 50 0 GJAARN CCOC(=O)c1sc2ncnc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2c1C ZINC000071795515 211061563 /nfs/dbraw/zinc/06/15/63/211061563.db2.gz KWLWEDYYNDSHCL-GHMZBOCLSA-N 0 0 387.427 4.709 50 0 GJAARN O=C(c1ccc2cccnc2c1O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071746523 211053532 /nfs/dbraw/zinc/05/35/32/211053532.db2.gz FYRZJTPWMCJRGJ-QGZVFWFLSA-N 0 0 378.447 4.565 50 0 GJAARN Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccccc1Cl ZINC000071326489 211045595 /nfs/dbraw/zinc/04/55/95/211045595.db2.gz STHRUAKKHMQVMF-UHFFFAOYSA-N 0 0 385.920 4.690 50 0 GJAARN Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1cccc(Cl)c1 ZINC000071326490 211045276 /nfs/dbraw/zinc/04/52/76/211045276.db2.gz VPUSVXXCWXZCCJ-UHFFFAOYSA-N 0 0 385.920 4.690 50 0 GJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1 ZINC000071286931 211044386 /nfs/dbraw/zinc/04/43/86/211044386.db2.gz BJQDEHIZSHTNJO-GOSISDBHSA-N 0 0 387.505 4.997 50 0 GJAARN Cc1sc2ncnc(SCC(=O)NC3(c4ccccc4)CCC3)c2c1C ZINC000070017677 211040176 /nfs/dbraw/zinc/04/01/76/211040176.db2.gz FXPBVZPQSZMJCQ-UHFFFAOYSA-N 0 0 383.542 4.596 50 0 GJAARN CC(C)Oc1ccc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)cc1 ZINC000090613576 211038913 /nfs/dbraw/zinc/03/89/13/211038913.db2.gz JKLVKARNYQCWMR-LJQANCHMSA-N 0 0 387.526 4.609 50 0 GJAARN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000069446314 211038886 /nfs/dbraw/zinc/03/88/86/211038886.db2.gz INPGPZKXLXYTPJ-OALUTQOASA-N 0 0 398.572 4.883 50 0 GJAARN Cc1c2cc(Cl)ccc2[nH]c1-c1c(-c2ccccc2)ncn1CCC(N)=O ZINC000067973760 211031228 /nfs/dbraw/zinc/03/12/28/211031228.db2.gz SELQHGMXEOSTPZ-UHFFFAOYSA-N 0 0 378.863 4.536 50 0 GJAARN CC(C)c1noc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 ZINC000067947417 211030564 /nfs/dbraw/zinc/03/05/64/211030564.db2.gz BJBORRGXNPOFFD-UHFFFAOYSA-N 0 0 399.878 4.614 50 0 GJAARN Cc1nc([C@H](C)Nc2nncc(-c3cccc(C(F)(F)F)c3)n2)c(C)s1 ZINC000067967089 211030325 /nfs/dbraw/zinc/03/03/25/211030325.db2.gz GQXSOJXXYHYLAH-VIFPVBQESA-N 0 0 379.411 4.804 50 0 GJAARN Cc1c(CNC(=O)Nc2cccs2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593874 211035904 /nfs/dbraw/zinc/03/59/04/211035904.db2.gz XSVQYUWFOQPPAF-UHFFFAOYSA-N 0 0 386.477 4.894 50 0 GJAARN Clc1ccc2[nH]c(Cn3cnc(-c4ccccc4)c3[C@H]3CCOC3)nc2c1 ZINC000067909036 211029378 /nfs/dbraw/zinc/02/93/78/211029378.db2.gz JAWMHFSKGWVZSV-HNNXBMFYSA-N 0 0 378.863 4.632 50 0 GJAARN Cc1ccsc1-c1nc(COc2ccccc2C(=O)N2CCCC2)c(C)o1 ZINC000067740105 211019897 /nfs/dbraw/zinc/01/98/97/211019897.db2.gz XMODWUJRXBCYFQ-UHFFFAOYSA-N 0 0 382.485 4.835 50 0 GJAARN CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000067712709 211016761 /nfs/dbraw/zinc/01/67/61/211016761.db2.gz FEFCBSRMPSCWIS-UHFFFAOYSA-N 0 0 396.903 4.774 50 0 GJAARN CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(-c2cccc3c2OCC3)nc1 ZINC000067713043 211016626 /nfs/dbraw/zinc/01/66/26/211016626.db2.gz OSUWGUIMFKXDQP-UHFFFAOYSA-N 0 0 395.462 4.504 50 0 GJAARN CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 ZINC000067296252 211007138 /nfs/dbraw/zinc/00/71/38/211007138.db2.gz ARYXNDSXJQJLAK-BZZOAKBMSA-N 0 0 385.423 4.711 50 0 GJAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1F ZINC000067295497 211006977 /nfs/dbraw/zinc/00/69/77/211006977.db2.gz MJJYMXBHFJUJON-DAFNUICNSA-N 0 0 396.805 4.981 50 0 GJAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1cccc(F)c1)CCO2 ZINC000067643759 211014467 /nfs/dbraw/zinc/01/44/67/211014467.db2.gz GEWRGFXOVYJHNW-UHFFFAOYSA-N 0 0 377.415 4.542 50 0 GJAARN COc1ccc(-c2nc(C)cc(SCC(=O)N(C)c3cccc(C)c3)n2)cc1 ZINC000067257699 211005389 /nfs/dbraw/zinc/00/53/89/211005389.db2.gz IDMCEYXMCDMTTH-UHFFFAOYSA-N 0 0 393.512 4.524 50 0 GJAARN Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067297805 211006492 /nfs/dbraw/zinc/00/64/92/211006492.db2.gz KUHGBSRYZNKODR-BZZOAKBMSA-N 0 0 385.423 4.635 50 0 GJAARN CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298007 211006008 /nfs/dbraw/zinc/00/60/08/211006008.db2.gz XHVIUPVTRANFNE-ATJXCDBQSA-N 0 0 391.452 4.642 50 0 GJAARN CCCCCn1c(=O)c2sccc2nc1SCc1ccc2c(c1)OCO2 ZINC000067259660 211005748 /nfs/dbraw/zinc/00/57/48/211005748.db2.gz ZOCPLRMQJFKTIM-UHFFFAOYSA-N 0 0 388.514 4.669 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccco1 ZINC000067259621 211005458 /nfs/dbraw/zinc/00/54/58/211005458.db2.gz BQCNNKCJDSMZBI-UHFFFAOYSA-N 0 0 384.407 4.608 50 0 GJAARN COc1nc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc2ccccc21 ZINC000065623529 210998024 /nfs/dbraw/zinc/99/80/24/210998024.db2.gz ZDVGJFYGYDYMNJ-UHFFFAOYSA-N 0 0 393.443 4.682 50 0 GJAARN O=C(c1ccccc1F)N1CCC[C@@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148273 210969782 /nfs/dbraw/zinc/96/97/82/210969782.db2.gz UCTINSYZXDZQKM-OAHLLOKOSA-N 0 0 394.425 4.518 50 0 GJAARN CCOc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1OCC ZINC000065137250 210967392 /nfs/dbraw/zinc/96/73/92/210967392.db2.gz GOHPTYLIINLDIP-UHFFFAOYSA-N 0 0 390.443 4.602 50 0 GJAARN Cc1cc(-c2nnc(C3CC3)o2)c(C)n1CC(=O)Nc1cc(Cl)ccc1C ZINC000065194717 210974174 /nfs/dbraw/zinc/97/41/74/210974174.db2.gz WUAFJTWUYYMWMF-UHFFFAOYSA-N 0 0 384.867 4.633 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2cccc(Cl)c2)n1 ZINC000065114407 210966389 /nfs/dbraw/zinc/96/63/89/210966389.db2.gz PIOVHVRISPJORY-UHFFFAOYSA-N 0 0 380.879 4.961 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cccc(-c2cnc(N3CCCC3)nc2)c1 ZINC000065025662 210961663 /nfs/dbraw/zinc/96/16/63/210961663.db2.gz IGBWDCWDMQYXLK-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN C[C@H]1Cc2ccc(CNC(=O)Nc3ccccc3)cc2N1C(=O)c1ccccc1 ZINC000064990502 210958911 /nfs/dbraw/zinc/95/89/11/210958911.db2.gz RTNPZAZUUUOPNS-KRWDZBQOSA-N 0 0 385.467 4.600 50 0 GJAARN Cc1cccc(-c2nnc3sc(NC(=O)c4ccc(C(C)(C)C)cc4)nn32)c1 ZINC000064980469 210959078 /nfs/dbraw/zinc/95/90/78/210959078.db2.gz MLHGRVOUBNZBPM-UHFFFAOYSA-N 0 0 391.500 4.711 50 0 GJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)NC2CCCCC2)CC3)cc1 ZINC000064659922 210943403 /nfs/dbraw/zinc/94/34/03/210943403.db2.gz AERWVAJRVZMEIE-UHFFFAOYSA-N 0 0 385.533 4.609 50 0 GJAARN Cc1ccc(NC(=O)N(C)CCc2noc(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000064840176 210950740 /nfs/dbraw/zinc/95/07/40/210950740.db2.gz MPWBQGGELDSQMS-UHFFFAOYSA-N 0 0 388.830 4.544 50 0 GJAARN COc1ccc2ccccc2c1CNC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000064822097 210949239 /nfs/dbraw/zinc/94/92/39/210949239.db2.gz NNFSWWKCPBBCHA-UHFFFAOYSA-N 0 0 397.525 4.516 50 0 GJAARN CSc1cccc(NC(=O)Nc2c(-c3ccncc3)nc3ccccn32)c1 ZINC000064758067 210946868 /nfs/dbraw/zinc/94/68/68/210946868.db2.gz YZFXPTRJDOJRDN-UHFFFAOYSA-N 0 0 375.457 4.762 50 0 GJAARN CCOC(=O)c1sc2nc(C)nc(NCc3cc4ccccc4[nH]3)c2c1C ZINC000058544117 210922820 /nfs/dbraw/zinc/92/28/20/210922820.db2.gz CYWNHXLMVTXALD-UHFFFAOYSA-N 0 0 380.473 4.578 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)[C@H](OC[C@H]3CCCO3)C(C)C)n2)cc1C ZINC000058014516 210905477 /nfs/dbraw/zinc/90/54/77/210905477.db2.gz AWHSEVQBKSHSTG-IEBWSBKVSA-N 0 0 388.533 4.586 50 0 GJAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2cnn3C)ccc1OC1CCCC1 ZINC000049550257 210863479 /nfs/dbraw/zinc/86/34/79/210863479.db2.gz TYUMTSLJECOIJE-IBGZPJMESA-N 0 0 387.505 4.564 50 0 GJAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccccc1OCc1ccccn1 ZINC000049546468 210863194 /nfs/dbraw/zinc/86/31/94/210863194.db2.gz CSTLUCZDIXOCII-QGZVFWFLSA-N 0 0 376.460 4.736 50 0 GJAARN CNC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1 ZINC000046644502 210836999 /nfs/dbraw/zinc/83/69/99/210836999.db2.gz QSCQQPNHXGGRTK-INIZCTEOSA-N 0 0 384.545 4.819 50 0 GJAARN CN(C(=O)c1ccc(NC(=O)NCc2ccoc2)cc1Cl)C1CCCCC1 ZINC000047805051 210841976 /nfs/dbraw/zinc/84/19/76/210841976.db2.gz LZPNAIGCZSTDMY-UHFFFAOYSA-N 0 0 389.883 4.659 50 0 GJAARN CNC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000046644504 210838985 /nfs/dbraw/zinc/83/89/85/210838985.db2.gz QSCQQPNHXGGRTK-MRXNPFEDSA-N 0 0 384.545 4.819 50 0 GJAARN Clc1ccc(-c2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 ZINC000041097919 210798953 /nfs/dbraw/zinc/79/89/53/210798953.db2.gz HBWLWAFCMKCLFS-UHFFFAOYSA-N 0 0 387.226 4.879 50 0 GJAARN CCc1cccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc32)c1 ZINC000044169659 210809350 /nfs/dbraw/zinc/80/93/50/210809350.db2.gz MMZBOVZPHFYTNK-UHFFFAOYSA-N 0 0 377.513 4.730 50 0 GJAARN COc1cc(OC)c([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc1OC ZINC000040288011 210783001 /nfs/dbraw/zinc/78/30/01/210783001.db2.gz KRNZLNZSIPZELD-AWEZNQCLSA-N 0 0 396.468 4.960 50 0 GJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000040130592 210776176 /nfs/dbraw/zinc/77/61/76/210776176.db2.gz PSVOSFQVTLAUQF-HSZRJFAPSA-N 0 0 386.451 4.572 50 0 GJAARN Cc1nc(C2(NC(=O)CCCOc3cccc4ccccc43)CCCCC2)no1 ZINC000040132307 210776128 /nfs/dbraw/zinc/77/61/28/210776128.db2.gz VDVSORSKDBLFHP-UHFFFAOYSA-N 0 0 393.487 4.666 50 0 GJAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000040104785 210772038 /nfs/dbraw/zinc/77/20/38/210772038.db2.gz LUCDIFLCODNVJD-HNNXBMFYSA-N 0 0 385.895 4.801 50 0 GJAARN O=C(NCc1cccc(Cl)c1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000040104510 210771345 /nfs/dbraw/zinc/77/13/45/210771345.db2.gz VQGMFKXHPFFFRH-UHFFFAOYSA-N 0 0 385.876 4.976 50 0 GJAARN CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)c1 ZINC000037601048 210745705 /nfs/dbraw/zinc/74/57/05/210745705.db2.gz VMBCNOIDXLMRMV-WUKNDPDISA-N 0 0 398.506 4.612 50 0 GJAARN CCCN(Cc1cc(-c2ccc(OC)cc2OC)on1)C(=O)c1ccc(F)cc1 ZINC000036012258 210703776 /nfs/dbraw/zinc/70/37/76/210703776.db2.gz PFWNUARTMDLAPK-UHFFFAOYSA-N 0 0 398.434 4.550 50 0 GJAARN CCC(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000035944056 210699748 /nfs/dbraw/zinc/69/97/48/210699748.db2.gz AAFRYZFHKZDYGI-QGZVFWFLSA-N 0 0 393.531 4.601 50 0 GJAARN COc1cccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC000035527096 210689202 /nfs/dbraw/zinc/68/92/02/210689202.db2.gz WPBRPQDOIANKNU-UHFFFAOYSA-N 0 0 389.430 4.720 50 0 GJAARN O=C(Nc1ccc(F)cc1F)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429873 210685992 /nfs/dbraw/zinc/68/59/92/210685992.db2.gz DOIOLTLIUODJGJ-UHFFFAOYSA-N 0 0 376.366 4.904 50 0 GJAARN COc1ccc(CNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1OC ZINC000033331530 210644608 /nfs/dbraw/zinc/64/46/08/210644608.db2.gz PFUJDIVPSWKKRX-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)NCCC3=CCCCC3)c(C)s2)n1 ZINC000033169437 210628640 /nfs/dbraw/zinc/62/86/40/210628640.db2.gz IIUCFWCHSOXRBQ-UHFFFAOYSA-N 0 0 382.576 4.657 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2)no1 ZINC000032996521 210612443 /nfs/dbraw/zinc/61/24/43/210612443.db2.gz MQIZRSKZUXNFKH-UHFFFAOYSA-N 0 0 378.310 4.588 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc(OC(=O)c2c(F)cccc2Cl)cc1 ZINC000032988908 210611423 /nfs/dbraw/zinc/61/14/23/210611423.db2.gz UCFYWRLVPKXOGO-UHFFFAOYSA-N 0 0 399.805 4.959 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC(C(=O)Nc4c(C)cccc4C)CC3)c2c1C ZINC000032960121 210608333 /nfs/dbraw/zinc/60/83/33/210608333.db2.gz RJFNTVUGFYEZBY-UHFFFAOYSA-N 0 0 392.503 4.620 50 0 GJAARN C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(OCc2cccnc2)cc1 ZINC000032676325 210579520 /nfs/dbraw/zinc/57/95/20/210579520.db2.gz ZOHYEGZNKNFPRR-INIZCTEOSA-N 0 0 380.875 4.734 50 0 GJAARN Cc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2cccs2)no1 ZINC000031815306 210567323 /nfs/dbraw/zinc/56/73/23/210567323.db2.gz SCKPJTDAODDBPO-UHFFFAOYSA-N 0 0 386.433 4.621 50 0 GJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1sc2ccccc2c1C ZINC000031174968 210562485 /nfs/dbraw/zinc/56/24/85/210562485.db2.gz IIACAOQMLYNMBD-UHFFFAOYSA-N 0 0 388.439 4.589 50 0 GJAARN CC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000040138963 210531393 /nfs/dbraw/zinc/53/13/93/210531393.db2.gz UYHBYDUQOYPDOS-QFIPXVFZSA-N 0 0 398.466 4.871 50 0 GJAARN C[C@H](Oc1ccccc1Cl)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000028288496 210524369 /nfs/dbraw/zinc/52/43/69/210524369.db2.gz ASJRHLYKDULEGA-AWEZNQCLSA-N 0 0 386.904 4.590 50 0 GJAARN CNC(=O)c1ccc(CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C2CC2)cc1 ZINC000026901411 210507631 /nfs/dbraw/zinc/50/76/31/210507631.db2.gz TZUPMAFULLTYMD-CXUHLZMHSA-N 0 0 390.527 4.548 50 0 GJAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1cc(F)cc(F)c1 ZINC000025056818 210477904 /nfs/dbraw/zinc/47/79/04/210477904.db2.gz VIBVRCOMLPJKQX-UHFFFAOYSA-N 0 0 377.368 4.715 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N1CCCCC1 ZINC000025051906 210477583 /nfs/dbraw/zinc/47/75/83/210477583.db2.gz VQJXESMWXNMOOD-QHCPKHFHSA-N 0 0 389.499 4.580 50 0 GJAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(N2CCCCC2)cc1 ZINC000024842554 210472148 /nfs/dbraw/zinc/47/21/48/210472148.db2.gz HIFUGKQPZFLLKH-UHFFFAOYSA-N 0 0 392.547 4.718 50 0 GJAARN CC(C)[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000024702778 210467609 /nfs/dbraw/zinc/46/76/09/210467609.db2.gz YRLOWYPHODPAQE-GOSISDBHSA-N 0 0 375.312 4.577 50 0 GJAARN COc1ccc(-c2nn3c(nc(C)cc3Nc3ccc(F)cc3)c2C)cc1OC 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CCOc1ccc(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000021537951 210385447 /nfs/dbraw/zinc/38/54/47/210385447.db2.gz VBKDKKICUIGPSD-UHFFFAOYSA-N 0 0 386.455 4.664 50 0 GJAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000021587331 210385017 /nfs/dbraw/zinc/38/50/17/210385017.db2.gz PGIKLWMENXXMRD-HXUWFJFHSA-N 0 0 380.488 4.519 50 0 GJAARN CC(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)s1 ZINC000021617880 210385038 /nfs/dbraw/zinc/38/50/38/210385038.db2.gz MPCPPUFRWXJUKI-UHFFFAOYSA-N 0 0 376.890 4.904 50 0 GJAARN COc1ccc(-n2c(C)c(C)c3c4nc(-c5ccccc5C)nn4cnc32)cc1 ZINC000021801323 210393957 /nfs/dbraw/zinc/39/39/57/210393957.db2.gz ZMSOEPXPLHQZMT-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN Cc1cccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)c1 ZINC000021792269 210393974 /nfs/dbraw/zinc/39/39/74/210393974.db2.gz CDQMCXRUJVWXIM-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1C ZINC000021787425 210393682 /nfs/dbraw/zinc/39/36/82/210393682.db2.gz MHWPKOQYBYVZNO-QFIPXVFZSA-N 0 0 391.515 4.887 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1ccccc1)SCC(=O)N2 ZINC000021788218 210393646 /nfs/dbraw/zinc/39/36/46/210393646.db2.gz OHFCZZXGCAMJDO-IBGZPJMESA-N 0 0 383.904 4.917 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000021095731 210376011 /nfs/dbraw/zinc/37/60/11/210376011.db2.gz LIUSBPBXFJKVTA-UHFFFAOYSA-N 0 0 378.653 4.825 50 0 GJAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4F)ccc3o2)cc1 ZINC000020978241 210371060 /nfs/dbraw/zinc/37/10/60/210371060.db2.gz FZSLANVMTYXELB-UHFFFAOYSA-N 0 0 392.386 4.660 50 0 GJAARN COc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000020892218 210366199 /nfs/dbraw/zinc/36/61/99/210366199.db2.gz DYPPGCWNIXTFKP-LJQANCHMSA-N 0 0 399.903 4.617 50 0 GJAARN Cc1cccc(-c2nn3c(nc(COc4ccc(Cl)cc4C)cc3=O)s2)c1 ZINC000020859091 210365551 /nfs/dbraw/zinc/36/55/51/210365551.db2.gz QVTWXQKIWRZYCR-UHFFFAOYSA-N 0 0 397.887 4.667 50 0 GJAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NC3CCCCCC3)c(C)c12 ZINC000020867499 210365353 /nfs/dbraw/zinc/36/53/53/210365353.db2.gz UCEDVRYCOHYDSO-UHFFFAOYSA-N 0 0 384.568 4.883 50 0 GJAARN COc1ccc(Br)c(-c2nnc(Cc3ccccc3Cl)o2)c1 ZINC000020852321 210363551 /nfs/dbraw/zinc/36/35/51/210363551.db2.gz KVOLLFSBEVNWKA-UHFFFAOYSA-N 0 0 379.641 4.752 50 0 GJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NC2CCC(C)CC2)c1C ZINC000020760575 210361029 /nfs/dbraw/zinc/36/10/29/210361029.db2.gz UHYASLOTRXFZMS-UHFFFAOYSA-N 0 0 396.531 4.725 50 0 GJAARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000020733880 210359001 /nfs/dbraw/zinc/35/90/01/210359001.db2.gz IAMHTNIFRWBWSF-MRXNPFEDSA-N 0 0 384.798 4.514 50 0 GJAARN COC(=O)c1ccccc1NC(=O)C1=Cc2sc3c(c2CS1)CC[C@@H](C)C3 ZINC000020557715 210348145 /nfs/dbraw/zinc/34/81/45/210348145.db2.gz BKZSJOVDFOBWIY-GFCCVEGCSA-N 0 0 399.537 4.886 50 0 GJAARN CC[C@@H](C)NC(=O)N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000020573240 210347675 /nfs/dbraw/zinc/34/76/75/210347675.db2.gz ZVUSUSZCVNILHG-CXAGYDPISA-N 0 0 384.867 4.577 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC3CCCCCC3)c12 ZINC000020516754 210344333 /nfs/dbraw/zinc/34/43/33/210344333.db2.gz YOBSMLROGRATHT-UHFFFAOYSA-N 0 0 376.504 4.798 50 0 GJAARN COc1ccc(CN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000020403808 210330975 /nfs/dbraw/zinc/33/09/75/210330975.db2.gz VIJQPAOOVCBGSG-UHFFFAOYSA-N 0 0 399.446 4.821 50 0 biogenic GJAARN CCN(CC)c1c2cc(Cl)ccc2ncc1S(=O)(=O)c1ccc(C)cc1 ZINC000020381362 210330483 /nfs/dbraw/zinc/33/04/83/210330483.db2.gz JXZPZQDEYZEUKC-UHFFFAOYSA-N 0 0 388.920 4.876 50 0 GJAARN Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)OCO3)c1 ZINC000019794624 210298260 /nfs/dbraw/zinc/29/82/60/210298260.db2.gz RMHXLUZUOQIXEZ-RUZDIDTESA-N 0 0 398.462 4.750 50 0 GJAARN COc1ccc(-c2csc3[nH]c(CNc4ccccc4C)nc(=O)c23)cc1 ZINC000019926593 210307704 /nfs/dbraw/zinc/30/77/04/210307704.db2.gz WDWBOFUUSPVDME-UHFFFAOYSA-N 0 0 377.469 4.581 50 0 GJAARN C[C@@H](c1nccs1)N(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000019782212 210296207 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CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCCOC(C)C ZINC000009059613 221068840 /nfs/dbraw/zinc/06/88/40/221068840.db2.gz FUQZONDQWQIXDC-UHFFFAOYSA-N 0 0 382.508 4.812 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)c(O)c1 ZINC000010372406 221101231 /nfs/dbraw/zinc/10/12/31/221101231.db2.gz XVBUUDNHGBMGKI-UHFFFAOYSA-N 0 0 385.423 4.978 50 0 GJAARN COc1ccccc1-c1c(C)nn2c1nc(-c1ccncc1)cc2C(F)(F)F ZINC000009877285 221093243 /nfs/dbraw/zinc/09/32/43/221093243.db2.gz JTYUVVOYXFQNKQ-UHFFFAOYSA-N 0 0 384.361 4.794 50 0 GJAARN COc1cccc([C@H](C)N(C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011815244 221127449 /nfs/dbraw/zinc/12/74/49/221127449.db2.gz NRPGJXBHZPGLEM-HNNXBMFYSA-N 0 0 396.487 4.869 50 0 GJAARN Cc1cc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(C)n1C1CC1 ZINC000011182040 221112039 /nfs/dbraw/zinc/11/20/39/221112039.db2.gz WRCSUQQYPQOQGE-DHZHZOJOSA-N 0 0 389.455 4.937 50 0 GJAARN O=C(COc1ccc(Br)cc1Cl)N[C@@H](c1ccccc1)C1CC1 ZINC000011215466 221112922 /nfs/dbraw/zinc/11/29/22/221112922.db2.gz 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ZINC000001036308 570236973 /nfs/dbraw/zinc/23/69/73/570236973.db2.gz YKYFJFVGELLDRX-UHFFFAOYSA-N 0 0 392.839 4.654 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1cccnc1Oc1ccccc1 ZINC000001042592 570237905 /nfs/dbraw/zinc/23/79/05/570237905.db2.gz LHVSOUMPHYRHDR-UHFFFAOYSA-N 0 0 396.468 4.927 50 0 GJAARN COc1ccccc1NC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000001046602 570238295 /nfs/dbraw/zinc/23/82/95/570238295.db2.gz BEHFSWGMVGJJES-SFHVURJKSA-N 0 0 389.377 4.870 50 0 GJAARN c1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 ZINC000001050334 570238568 /nfs/dbraw/zinc/23/85/68/570238568.db2.gz DDXRYFFNMVXGDU-UHFFFAOYSA-N 0 0 382.467 4.738 50 0 biogenic GJAARN CCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000001050383 570238614 /nfs/dbraw/zinc/23/86/14/570238614.db2.gz HALICSYEEBPOAJ-VWLOTQADSA-N 0 0 385.463 4.571 50 0 GJAARN O=C(Nc1cccc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000020095910 570238879 /nfs/dbraw/zinc/23/88/79/570238879.db2.gz AHQGOYKJEFQZEZ-UHFFFAOYSA-N 0 0 392.414 4.893 50 0 GJAARN COc1cccc(NC(=O)c2ccc(N3CCSc4ncccc43)s2)c1 ZINC000015769677 570239501 /nfs/dbraw/zinc/23/95/01/570239501.db2.gz JGRZEMFVKVVSOF-UHFFFAOYSA-N 0 0 383.498 4.648 50 0 GJAARN Cc1ccc(-c2nc(CSc3nnc(N4CCCC4)n3C3CC3)co2)c(C)c1 ZINC000048343828 570240215 /nfs/dbraw/zinc/24/02/15/570240215.db2.gz WGGPELHDIUYAKR-UHFFFAOYSA-N 0 0 395.532 4.777 50 0 GJAARN CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(C)C(=O)c1ccc(C)cc1 ZINC000001080895 570241017 /nfs/dbraw/zinc/24/10/17/570241017.db2.gz COLOXOVVOKQLDC-GVXSCFBNSA-N 0 0 384.431 4.629 50 0 GJAARN CCCN(CCC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)cc1 ZINC000023317277 570241526 /nfs/dbraw/zinc/24/15/26/570241526.db2.gz XDDIMWORUNPVEJ-UHFFFAOYSA-N 0 0 395.507 4.616 50 0 GJAARN O=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000001095354 570241680 /nfs/dbraw/zinc/24/16/80/570241680.db2.gz BEAPLPWLFVXQQM-UHFFFAOYSA-N 0 0 388.030 4.742 50 0 GJAARN CCCSCCC[NH2+]Cc1c(C)n(Cc2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000015776808 570241849 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CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 ZINC000001127721 570244901 /nfs/dbraw/zinc/24/49/01/570244901.db2.gz IEAGACVRFDPVBG-UHFFFAOYSA-N 0 0 375.424 4.695 50 0 GJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000001128526 570244960 /nfs/dbraw/zinc/24/49/60/570244960.db2.gz XJLRNMXHWGJGHQ-UHFFFAOYSA-N 0 0 379.787 4.558 50 0 GJAARN O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 ZINC000001136358 570247096 /nfs/dbraw/zinc/24/70/96/570247096.db2.gz WOFDXQHNHUUFPG-UHFFFAOYSA-N 0 0 377.415 4.877 50 0 GJAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(Br)c1 ZINC000001143797 570248210 /nfs/dbraw/zinc/24/82/10/570248210.db2.gz YLBNHXCHMKYVOV-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN O=C1c2ccccc2N[C@H](c2csc(-c3ccccn3)n2)N1c1ccccc1 ZINC000048375262 570249123 /nfs/dbraw/zinc/24/91/23/570249123.db2.gz LDOXUDCXYWKCBS-FQEVSTJZSA-N 0 0 384.464 4.976 50 0 GJAARN CC[C@@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000006119403 570249294 /nfs/dbraw/zinc/24/92/94/570249294.db2.gz 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570254093 /nfs/dbraw/zinc/25/40/93/570254093.db2.gz ROWDABZTEOITHO-UHFFFAOYSA-N 0 0 379.803 4.831 50 0 GJAARN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000001177006 570254454 /nfs/dbraw/zinc/25/44/54/570254454.db2.gz FXAZPIKEXPVGPQ-UHFFFAOYSA-N 0 0 380.344 4.821 50 0 GJAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3F)sc2c1 ZINC000001177338 570254471 /nfs/dbraw/zinc/25/44/71/570254471.db2.gz SQJSQZDYJRBMTB-UHFFFAOYSA-N 0 0 380.441 4.704 50 0 GJAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O ZINC000001181241 570255201 /nfs/dbraw/zinc/25/52/01/570255201.db2.gz SJTNYVNCLCTKKN-YVLHZVERSA-N 0 0 389.860 4.681 50 0 GJAARN O=C(NCCc1ccccc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000020436533 570255581 /nfs/dbraw/zinc/25/55/81/570255581.db2.gz ZTQFHWIUYWHQGY-INIZCTEOSA-N 0 0 391.311 4.531 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccco1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101867235 570256090 /nfs/dbraw/zinc/25/60/90/570256090.db2.gz BWINNIQKHYHVGB-ZCQNZVIGSA-N 0 0 383.447 4.518 50 0 GJAARN CN(CCOC(=O)Nc1ccccc1)c1cc(C(F)(F)F)nc2ccccc21 ZINC000020443502 570256144 /nfs/dbraw/zinc/25/61/44/570256144.db2.gz MKWPLGYYIVQTCP-UHFFFAOYSA-N 0 0 389.377 4.939 50 0 GJAARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000001192896 570256889 /nfs/dbraw/zinc/25/68/89/570256889.db2.gz HPWGRHCLAFOCCC-MOSHPQCFSA-N 0 0 391.373 4.888 50 0 GJAARN O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1cccs1 ZINC000001188441 570256893 /nfs/dbraw/zinc/25/68/93/570256893.db2.gz MMZYBHUXYNKHSX-UHFFFAOYSA-N 0 0 388.558 4.957 50 0 GJAARN CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000001199840 570257267 /nfs/dbraw/zinc/25/72/67/570257267.db2.gz ARTJMAQUNHBVCS-UHFFFAOYSA-N 0 0 394.302 4.746 50 0 GJAARN Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(-c2ccc(Cl)cc2)n1 ZINC000049006967 570258362 /nfs/dbraw/zinc/25/83/62/570258362.db2.gz BEMNIESTQLQMCK-UHFFFAOYSA-N 0 0 381.863 4.740 50 0 GJAARN O=C(COc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000001215715 570258535 /nfs/dbraw/zinc/25/85/35/570258535.db2.gz AQIBHYGBVGTLHJ-UHFFFAOYSA-N 0 0 375.049 4.773 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc(OCC)c1OCC ZINC000001212270 570258593 /nfs/dbraw/zinc/25/85/93/570258593.db2.gz IPDVPZVCMNCEIQ-UHFFFAOYSA-N 0 0 393.867 4.797 50 0 GJAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1 ZINC000001225926 570259277 /nfs/dbraw/zinc/25/92/77/570259277.db2.gz ZRKUNPONQAFOKU-ZQFKLAOWSA-N 0 0 379.459 4.566 50 0 GJAARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000001305409 570260469 /nfs/dbraw/zinc/26/04/69/570260469.db2.gz FVVJAFPJUZWHHW-QHCPKHFHSA-N 0 0 378.435 4.621 50 0 GJAARN Cc1cc(Cl)ccc1OCc1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000001300231 570260551 /nfs/dbraw/zinc/26/05/51/570260551.db2.gz DVOVTZRUGJVWLY-UHFFFAOYSA-N 0 0 392.843 4.862 50 0 GJAARN Cc1nc(-c2cccc(C)c2)sc1-c1cc(C(=O)N2CCCCCC2)[nH]n1 ZINC000049002314 570261422 /nfs/dbraw/zinc/26/14/22/570261422.db2.gz LKGQXVITCIEYQD-UHFFFAOYSA-N 0 0 380.517 4.833 50 0 GJAARN O=S(=O)(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NCc1cccs1 ZINC000001398391 570261949 /nfs/dbraw/zinc/26/19/49/570261949.db2.gz JWOSTKBESSEXCO-PKNBQFBNSA-N 0 0 379.890 4.752 50 0 GJAARN CCn1c(-c2ccccc2)nn(CN2CCC(c3ccccc3)CC2)c1=S ZINC000001425950 570262836 /nfs/dbraw/zinc/26/28/36/570262836.db2.gz CGLAJEGUYBLNAL-UHFFFAOYSA-N 0 0 378.545 4.938 50 0 GJAARN COc1ccc(C2(C(=O)Nc3cccc4c3ccn4C(C)C)CCOCC2)cc1 ZINC000085877256 570263273 /nfs/dbraw/zinc/26/32/73/570263273.db2.gz LJZQMDYVNPQDLD-UHFFFAOYSA-N 0 0 392.499 4.918 50 0 biogenic GJAARN COc1ccccc1[C@@H]1N2CCC[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000085988090 570264526 /nfs/dbraw/zinc/26/45/26/570264526.db2.gz QFJPBSAUSRXQHZ-FUHWJXTLSA-N 0 0 377.271 4.512 50 0 GJAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(Cl)cc1 ZINC000085988306 570264781 /nfs/dbraw/zinc/26/47/81/570264781.db2.gz YCTIHBSFIBYEMC-DLBZAZTESA-N 0 0 380.797 4.869 50 0 GJAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(COc2ccccc2)on1 ZINC000020542769 570267017 /nfs/dbraw/zinc/26/70/17/570267017.db2.gz VCPQZGKIJIUYQP-UHFFFAOYSA-N 0 0 380.488 4.542 50 0 GJAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000012859791 570267866 /nfs/dbraw/zinc/26/78/66/570267866.db2.gz VDIQWCLZCFKNQS-VIFPVBQESA-N 0 0 382.218 4.840 50 0 GJAARN CCCCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000001801379 570268700 /nfs/dbraw/zinc/26/87/00/570268700.db2.gz NQSFQMQVGZOGJE-UHFFFAOYSA-N 0 0 375.852 4.623 50 0 GJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000012865020 570269077 /nfs/dbraw/zinc/26/90/77/570269077.db2.gz WCLIJRDBOYLPEX-LLVKDONJSA-N 0 0 390.411 4.671 50 0 GJAARN CC(=O)Nc1ccc(OCCCCCCOc2ccc(NC(C)=O)cc2)cc1 ZINC000004582885 570270460 /nfs/dbraw/zinc/27/04/60/570270460.db2.gz VLVHTGWXXHSKGB-UHFFFAOYSA-N 0 0 384.476 4.622 50 0 GJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1 ZINC000001944015 570270724 /nfs/dbraw/zinc/27/07/24/570270724.db2.gz CAEQREDUPFVGEJ-UHFFFAOYSA-N 0 0 399.443 4.748 50 0 GJAARN COc1ccccc1CN1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 ZINC000020610285 570272216 /nfs/dbraw/zinc/27/22/16/570272216.db2.gz GYOOUJPDGXYXCL-UHFFFAOYSA-N 0 0 399.446 4.821 50 0 biogenic GJAARN CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000002062736 570273127 /nfs/dbraw/zinc/27/31/27/570273127.db2.gz WFQZNTCCFZFARB-UHFFFAOYSA-N 0 0 391.261 4.668 50 0 GJAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCc1ccccc1)c1ccccc1 ZINC000000940065 570273727 /nfs/dbraw/zinc/27/37/27/570273727.db2.gz PEUPPUMBLKHHFX-UHFFFAOYSA-N 0 0 390.464 4.787 50 0 GJAARN COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000002084708 570273974 /nfs/dbraw/zinc/27/39/74/570273974.db2.gz XTWXOXHMFGHROJ-STZFKDTASA-N 0 0 399.446 4.927 50 0 GJAARN Cc1ccc(N(Cc2ccccc2)C(=O)CCc2nc(-c3ccco3)no2)cc1 ZINC000012874361 570274432 /nfs/dbraw/zinc/27/44/32/570274432.db2.gz MBPBHTINVMLXRQ-UHFFFAOYSA-N 0 0 387.439 4.804 50 0 GJAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)C1(c2ccc(Cl)cc2)CC1 ZINC000012879762 570277061 /nfs/dbraw/zinc/27/70/61/570277061.db2.gz AXIQKSLAPITQNN-UHFFFAOYSA-N 0 0 392.890 4.554 50 0 GJAARN CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000018457997 570277143 /nfs/dbraw/zinc/27/71/43/570277143.db2.gz MYDGJQNOXHLWCB-ZDUSSCGKSA-N 0 0 383.448 4.538 50 0 GJAARN O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2)N1CCCC1 ZINC000020737443 570278233 /nfs/dbraw/zinc/27/82/33/570278233.db2.gz MCSKZMUGQGBIOL-QFIPXVFZSA-N 0 0 388.511 4.756 50 0 GJAARN COc1ccccc1[C@@H]1N2CCCN2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000638036 570279063 /nfs/dbraw/zinc/27/90/63/570279063.db2.gz SJOMDJCGZOMZQL-QGZVFWFLSA-N 0 0 378.259 4.564 50 0 GJAARN COc1cccc(CC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 ZINC000015862709 570279221 /nfs/dbraw/zinc/27/92/21/570279221.db2.gz QAVYEKGLFZORFH-UHFFFAOYSA-N 0 0 388.423 4.693 50 0 GJAARN CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000020745938 570279518 /nfs/dbraw/zinc/27/95/18/570279518.db2.gz RKTVHEZEGDYBMX-QFIPXVFZSA-N 0 0 390.527 4.906 50 0 GJAARN CC[C@H](C)COC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 ZINC000002264154 570280746 /nfs/dbraw/zinc/28/07/46/570280746.db2.gz RDTKSJFYMKCEBK-AWEZNQCLSA-N 0 0 388.471 4.667 50 0 GJAARN CCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000026121093 570281242 /nfs/dbraw/zinc/28/12/42/570281242.db2.gz ZJHHSXJHZFMCLU-UHFFFAOYSA-N 0 0 376.504 4.603 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000002316166 570282545 /nfs/dbraw/zinc/28/25/45/570282545.db2.gz GMLNONLEJNXLAZ-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN Cc1ccc(-n2c(SCc3ccc(C)c(C)c3)nnc2-c2cnccn2)cc1 ZINC000002323733 570282601 /nfs/dbraw/zinc/28/26/01/570282601.db2.gz VZMOVSFGNGYMEA-UHFFFAOYSA-N 0 0 387.512 4.942 50 0 GJAARN COc1c(Cl)cccc1CN(C)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101358028 570282713 /nfs/dbraw/zinc/28/27/13/570282713.db2.gz VQGVKQAXIFRDAM-NRFANRHFSA-N 0 0 392.886 4.874 50 0 GJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4Cl)c3)C(=O)[C@@H]2C1 ZINC000101704975 570284556 /nfs/dbraw/zinc/28/45/56/570284556.db2.gz HQPNSBBYHKECIY-XOKHGSTOSA-N 0 0 396.874 4.518 50 0 GJAARN Cc1nc(CN(C)Cc2nc(C(c3ccccc3)c3ccccc3)no2)cs1 ZINC000020994785 570286400 /nfs/dbraw/zinc/28/64/00/570286400.db2.gz WQJOEFYEUNRQGC-UHFFFAOYSA-N 0 0 390.512 4.647 50 0 GJAARN CC(C)c1ccccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012897130 570286829 /nfs/dbraw/zinc/28/68/29/570286829.db2.gz SWDMRRKDNGRZRE-UHFFFAOYSA-N 0 0 382.548 4.861 50 0 GJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(Cc1ccco1)C3=O ZINC000002440095 570286964 /nfs/dbraw/zinc/28/69/64/570286964.db2.gz DUXITLWMNVUUFO-HXUWFJFHSA-N 0 0 389.382 4.579 50 0 GJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000002434403 570287025 /nfs/dbraw/zinc/28/70/25/570287025.db2.gz ACTVAWCHEWRCKE-UHFFFAOYSA-N 0 0 387.892 4.505 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(F)ccc4F)c(N)c3cc2C1 ZINC000000661794 570287280 /nfs/dbraw/zinc/28/72/80/570287280.db2.gz LXYGTPFDKDHZKR-JTQLQIEISA-N 0 0 387.455 4.924 50 0 GJAARN O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccccc1Cl ZINC000002497572 570288596 /nfs/dbraw/zinc/28/85/96/570288596.db2.gz ABCOBCDAXDYTBW-UHFFFAOYSA-N 0 0 380.753 4.678 50 0 GJAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccccc1 ZINC000021157510 570288692 /nfs/dbraw/zinc/28/86/92/570288692.db2.gz KVULIXWXXLQNJA-UHFFFAOYSA-N 0 0 396.497 4.543 50 0 GJAARN CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nnc(-c3ccncc3)s2)cc1 ZINC000002503275 570288772 /nfs/dbraw/zinc/28/87/72/570288772.db2.gz AKDFTDWEOZBABP-IRXDYDNUSA-N 0 0 378.501 4.640 50 0 GJAARN COCCc1noc([C@H]2CCCCN2Cc2ccc(C3CCCC3)s2)n1 ZINC000215567752 570289792 /nfs/dbraw/zinc/28/97/92/570289792.db2.gz QBPDNWNUDAYSHC-QGZVFWFLSA-N 0 0 375.538 4.705 50 0 GJAARN O=c1sc2c(s1)SC(=C1Sc3sc(=O)sc3S1)S2 ZINC000002527989 570289936 /nfs/dbraw/zinc/28/99/36/570289936.db2.gz JVSSQMMIVZRMMO-UHFFFAOYSA-N 0 0 384.622 4.875 50 0 GJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NCC1CC1 ZINC000034679826 570292250 /nfs/dbraw/zinc/29/22/50/570292250.db2.gz OERLLCZUTKCBFO-UHFFFAOYSA-N 0 0 398.506 4.602 50 0 GJAARN Cc1sc2ncnc(SC[C@H](O)COCc3ccc(Cl)cc3)c2c1C ZINC000215876306 570292908 /nfs/dbraw/zinc/29/29/08/570292908.db2.gz SYAZWFCNBZLCMU-OAHLLOKOSA-N 0 0 394.949 4.631 50 0 GJAARN CCc1ccc(Cn2nccc2NC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000021599915 570293093 /nfs/dbraw/zinc/29/30/93/570293093.db2.gz JVKORHPFLDWLQV-UHFFFAOYSA-N 0 0 394.525 4.931 50 0 GJAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCc5ccccc5C4)cc3)o2)cc1 ZINC000014169735 570294741 /nfs/dbraw/zinc/29/47/41/570294741.db2.gz QMFJBMWPWKMKAU-UHFFFAOYSA-N 0 0 395.462 4.911 50 0 GJAARN Cc1cccc(OCCCN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000012921698 570294794 /nfs/dbraw/zinc/29/47/94/570294794.db2.gz QVRWTDFKWJPHMF-DEOSSOPVSA-N 0 0 394.515 4.529 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2Br)cc1 ZINC000021709781 570294890 /nfs/dbraw/zinc/29/48/90/570294890.db2.gz RIMLEBNETGENRS-SFHVURJKSA-N 0 0 392.268 4.964 50 0 GJAARN Cc1cc(C)c(NC(=O)COC(=O)c2cccc3c2-c2ccccc2C3=O)c(C)c1 ZINC000002700785 570295667 /nfs/dbraw/zinc/29/56/67/570295667.db2.gz UKZJESRHNZKVFF-UHFFFAOYSA-N 0 0 399.446 4.619 50 0 GJAARN Cc1c(C)n(-c2cccc(C)c2C)c2ncn3nc(-c4ccccc4O)nc3c12 ZINC000021801731 570296773 /nfs/dbraw/zinc/29/67/73/570296773.db2.gz UKHXXSKCNGFQIT-UHFFFAOYSA-N 0 0 383.455 4.674 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000002741802 570297689 /nfs/dbraw/zinc/29/76/89/570297689.db2.gz DTBJXAYRBNBHFD-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000002766294 570299463 /nfs/dbraw/zinc/29/94/63/570299463.db2.gz IVQSWGRXIWBWGA-UHFFFAOYSA-N 0 0 393.314 4.501 50 0 GJAARN CC(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012931996 570301408 /nfs/dbraw/zinc/30/14/08/570301408.db2.gz CAMJQAZTHPLZIG-HSZRJFAPSA-N 0 0 390.508 4.537 50 0 GJAARN COc1cc(NC(=O)[C@@H](C)SC2=Nc3ccccc3CS2)cc(OC)c1 ZINC000022022166 570302229 /nfs/dbraw/zinc/30/22/29/570302229.db2.gz YZKQVVXUAOYOCE-GFCCVEGCSA-N 0 0 388.514 4.699 50 0 GJAARN CCCNC(=O)c1csc(-c2ccc(OCc3cccc(F)c3)cc2F)n1 ZINC000034713320 570303785 /nfs/dbraw/zinc/30/37/85/570303785.db2.gz MSAGMJXLAOUWMX-UHFFFAOYSA-N 0 0 388.439 4.807 50 0 GJAARN O=C(Nc1nnc(COc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 ZINC000002845195 570307692 /nfs/dbraw/zinc/30/76/92/570307692.db2.gz AEZDWGLVPUOHRA-UHFFFAOYSA-N 0 0 385.411 4.655 50 0 GJAARN O=C(c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1)N1CCCC1 ZINC000002857030 570310124 /nfs/dbraw/zinc/31/01/24/570310124.db2.gz PESRMNJLKJSAKW-UHFFFAOYSA-N 0 0 393.434 4.750 50 0 GJAARN C[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccccc1F ZINC000022241845 570310240 /nfs/dbraw/zinc/31/02/40/570310240.db2.gz SKNBPRYJQNNTTH-CQSZACIVSA-N 0 0 376.431 4.818 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N(C)CC2CC2)[C@H]1c1cccs1 ZINC000257173370 570311831 /nfs/dbraw/zinc/31/18/31/570311831.db2.gz LMIAJHBXYYXDAL-NHCUHLMSSA-N 0 0 396.556 4.553 50 0 GJAARN CCCc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cc1 ZINC000002868188 570313238 /nfs/dbraw/zinc/31/32/38/570313238.db2.gz HGHVFNYMCFIWIF-UHFFFAOYSA-N 0 0 398.510 4.871 50 0 GJAARN COc1cccc([C@H](C)NC(=O)c2sc3cc4c(cc3c2Cl)OCO4)c1 ZINC000023330714 570314153 /nfs/dbraw/zinc/31/41/53/570314153.db2.gz FWFIAMZNRLLZDA-JTQLQIEISA-N 0 0 389.860 4.783 50 0 GJAARN O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1ccc(Cl)cc1 ZINC000022458487 570317074 /nfs/dbraw/zinc/31/70/74/570317074.db2.gz SMDRPXJEKYAPEA-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN FC(F)Oc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000002919724 570318537 /nfs/dbraw/zinc/31/85/37/570318537.db2.gz SMJNKOAUOJTHOP-GJZGRUSLSA-N 0 0 376.794 4.679 50 0 GJAARN CC[C@H](C)Sc1ccc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)c(C)c1 ZINC000075094216 570318625 /nfs/dbraw/zinc/31/86/25/570318625.db2.gz RLIJYDRBTPGSJC-HOCLYGCPSA-N 0 0 380.554 4.796 50 0 GJAARN O=C(c1ccc(Cl)cc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 ZINC000014610662 570319812 /nfs/dbraw/zinc/31/98/12/570319812.db2.gz GPSBWMDAOJEXFW-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN Cc1cc2c(cc1-c1ccnc3nc(-c4cccnc4)nn31)[C@H](C)CC(C)(C)N2 ZINC000575473084 570319936 /nfs/dbraw/zinc/31/99/36/570319936.db2.gz FZAIHNZUUPHIRZ-OAHLLOKOSA-N 0 0 384.487 4.859 50 0 GJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1SCC(F)(F)F ZINC000022522643 570319935 /nfs/dbraw/zinc/31/99/35/570319935.db2.gz WKLBDLXQPDFXCZ-UHFFFAOYSA-N 0 0 396.312 4.887 50 0 GJAARN CCOc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3F)cs2)cc1OC ZINC000034717297 570320209 /nfs/dbraw/zinc/32/02/09/570320209.db2.gz ZYJUMAYDMLHPOJ-UHFFFAOYSA-N 0 0 386.448 4.917 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1F ZINC000002970343 570320851 /nfs/dbraw/zinc/32/08/51/570320851.db2.gz CCUSMJXMMVTLNS-UHFFFAOYSA-N 0 0 393.039 4.913 50 0 GJAARN CCCCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 ZINC000002997677 570324944 /nfs/dbraw/zinc/32/49/44/570324944.db2.gz WPCGUPXKDCZWIC-IBGZPJMESA-N 0 0 394.515 4.728 50 0 GJAARN COc1ccc(CN(C)C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 ZINC000043339585 570325582 /nfs/dbraw/zinc/32/55/82/570325582.db2.gz QSBUQIYMMXVQNR-UHFFFAOYSA-N 0 0 390.483 4.959 50 0 GJAARN CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1ccc(Cl)cc1 ZINC000003049308 570326938 /nfs/dbraw/zinc/32/69/38/570326938.db2.gz OJOZSOCVBXRQMF-UHFFFAOYSA-N 0 0 385.876 4.828 50 0 GJAARN 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570354048 /nfs/dbraw/zinc/35/40/48/570354048.db2.gz GALSPWHTAVPWJW-UHFFFAOYSA-N 0 0 375.291 4.689 50 0 GJAARN COc1ccccc1-c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)no1 ZINC000004880850 570354188 /nfs/dbraw/zinc/35/41/88/570354188.db2.gz BFYHWJOASQGXRW-UHFFFAOYSA-N 0 0 378.306 4.501 50 0 GJAARN CCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2cccc(F)c2)c1 ZINC000023329670 570355044 /nfs/dbraw/zinc/35/50/44/570355044.db2.gz WSAMVRHLLQFBAN-UHFFFAOYSA-N 0 0 395.434 4.594 50 0 GJAARN CC(C)COC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000004037220 570355231 /nfs/dbraw/zinc/35/52/31/570355231.db2.gz ZCXQEJFUNCONGT-UHFFFAOYSA-N 0 0 396.270 4.824 50 0 GJAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cccc(Cl)c1 ZINC000004882534 570355598 /nfs/dbraw/zinc/35/55/98/570355598.db2.gz DCCUFNPNOTVUHZ-UHFFFAOYSA-N 0 0 396.899 4.532 50 0 GJAARN COC(=O)c1sccc1NC(=O)CSc1cccc(Cl)c1Cl ZINC000004091892 570356867 /nfs/dbraw/zinc/35/68/67/570356867.db2.gz LFPXYQXNXWBTPU-UHFFFAOYSA-N 0 0 376.286 4.572 50 0 GJAARN Cc1c(=O)c2cccc(C(=O)NCc3cccs3)c2oc1-c1ccccc1 ZINC000008133282 570359302 /nfs/dbraw/zinc/35/93/02/570359302.db2.gz NELIDYMHXKORCZ-UHFFFAOYSA-N 0 0 375.449 4.760 50 0 GJAARN CNC(=O)c1ccc([C@H]2CCCN2Cc2cnc(-c3ccccc3)s2)s1 ZINC000023380109 570359399 /nfs/dbraw/zinc/35/93/99/570359399.db2.gz VBCQMGOFTSTGKT-MRXNPFEDSA-N 0 0 383.542 4.568 50 0 GJAARN CCCCC(=O)NC(NC(=O)CCCC)c1ccc(OCc2ccccc2)cc1 ZINC000004185765 570362055 /nfs/dbraw/zinc/36/20/55/570362055.db2.gz LGFCUBBKOMPEDR-UHFFFAOYSA-N 0 0 396.531 4.877 50 0 GJAARN COc1ccc2[nH]c(C(=O)NCCc3cn(C(C)C)c4ccccc34)cc2c1 ZINC000604418650 570362400 /nfs/dbraw/zinc/36/24/00/570362400.db2.gz UGLXXXSYUYVOLN-UHFFFAOYSA-N 0 0 375.472 4.685 50 0 GJAARN CCCCOc1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000004199192 570362663 /nfs/dbraw/zinc/36/26/63/570362663.db2.gz SENGGKZKPKKGNA-UHFFFAOYSA-N 0 0 395.240 4.722 50 0 GJAARN Cc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)c1 ZINC000004196045 570362747 /nfs/dbraw/zinc/36/27/47/570362747.db2.gz 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O=C(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O ZINC000004937090 570376055 /nfs/dbraw/zinc/37/60/55/570376055.db2.gz XYKPHAVVJFIKJB-UHFFFAOYSA-N 0 0 375.374 4.559 50 0 GJAARN COc1cc(Br)c(CN[C@H](C)c2ccc(F)cc2F)cc1OC ZINC000022787060 570377080 /nfs/dbraw/zinc/37/70/80/570377080.db2.gz VMCYJYPRBJFYFX-SNVBAGLBSA-N 0 0 386.236 4.595 50 0 GJAARN COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1cccs1 ZINC000004487803 570378097 /nfs/dbraw/zinc/37/80/97/570378097.db2.gz HTSAKJINXGBDMT-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN COc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl ZINC000004941118 570378107 /nfs/dbraw/zinc/37/81/07/570378107.db2.gz HGLGPXJDFKTWNQ-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000035503652 570378171 /nfs/dbraw/zinc/37/81/71/570378171.db2.gz ZGQTZSJFTHMIME-SFHVURJKSA-N 0 0 387.439 4.907 50 0 GJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3F)c(Cl)c12 ZINC000004941115 570378184 /nfs/dbraw/zinc/37/81/84/570378184.db2.gz UVMZBDHZYDNUMY-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN CC(=O)N(C)Cc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000004943211 570378804 /nfs/dbraw/zinc/37/88/04/570378804.db2.gz BIUQJBVIZNFPMO-UHFFFAOYSA-N 0 0 385.895 4.527 50 0 GJAARN CCOc1ccc(C(=O)[C@@H](C)Sc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000024144101 570379697 /nfs/dbraw/zinc/37/96/97/570379697.db2.gz RUMHMJFCHYXFGO-LLVKDONJSA-N 0 0 395.406 4.510 50 0 GJAARN Cc1c(Cl)c(CSc2nnc(-c3ccncc3)n2C)nc2ccccc12 ZINC000008541297 570380620 /nfs/dbraw/zinc/38/06/20/570380620.db2.gz UJGZQFSVSLAVHJ-UHFFFAOYSA-N 0 0 381.892 4.679 50 0 GJAARN O=C(CSc1ncc2ccccn21)Nc1ccccc1Oc1ccccc1 ZINC000024209741 570380777 /nfs/dbraw/zinc/38/07/77/570380777.db2.gz VDQBWTVTPZICLN-UHFFFAOYSA-N 0 0 375.453 4.857 50 0 GJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000001736859 570381617 /nfs/dbraw/zinc/38/16/17/570381617.db2.gz RQZAXGRLVPAYTJ-CYDYFGPOSA-N 0 0 384.516 4.575 50 0 biogenic GJAARN CCCCN[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl ZINC000024302735 570381887 /nfs/dbraw/zinc/38/18/87/570381887.db2.gz MGRDHYBMPDCKBA-HNNXBMFYSA-N 0 0 379.759 4.800 50 0 GJAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000035510304 570383794 /nfs/dbraw/zinc/38/37/94/570383794.db2.gz YUDHJPGQQGFNDF-LBPRGKRZSA-N 0 0 385.261 4.904 50 0 GJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCNC(=O)c1ccsc1 ZINC000024459513 570384216 /nfs/dbraw/zinc/38/42/16/570384216.db2.gz YOJLONVBSKRNQH-LBPRGKRZSA-N 0 0 399.343 4.785 50 0 GJAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000024505588 570385186 /nfs/dbraw/zinc/38/51/86/570385186.db2.gz IUWCPGDILDTPJU-UHFFFAOYSA-N 0 0 397.471 4.627 50 0 GJAARN CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004593273 570386678 /nfs/dbraw/zinc/38/66/78/570386678.db2.gz OPFAXSDVXVTLJW-UHFFFAOYSA-N 0 0 394.254 4.628 50 0 GJAARN O=C(N[C@H]1CCCc2ccccc21)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000035511836 570388642 /nfs/dbraw/zinc/38/86/42/570388642.db2.gz YVQVFPYTFKMVAW-QFIPXVFZSA-N 0 0 398.510 4.551 50 0 GJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000024655697 570388850 /nfs/dbraw/zinc/38/88/50/570388850.db2.gz JIGZOKMCEBWCNB-UHFFFAOYSA-N 0 0 392.499 4.778 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1Cl ZINC000012855061 570389259 /nfs/dbraw/zinc/38/92/59/570389259.db2.gz TXLSSWBTOLFETA-CSKARUKUSA-N 0 0 382.891 4.539 50 0 GJAARN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCCc1ccc(Cl)cc1 ZINC000035536267 570390660 /nfs/dbraw/zinc/39/06/60/570390660.db2.gz GOZVOGIYRJZQMH-UHFFFAOYSA-N 0 0 375.255 4.929 50 0 GJAARN Cc1ccccc1S(=O)(=O)Oc1ccc2c(Br)cccc2c1 ZINC000004666451 570391202 /nfs/dbraw/zinc/39/12/02/570391202.db2.gz KJRQISBHHIOUAY-UHFFFAOYSA-N 0 0 377.259 4.678 50 0 GJAARN Cc1cc(C(=O)Nc2ccccc2Cl)c2cnn(Cc3cccs3)c2n1 ZINC000024754128 570391712 /nfs/dbraw/zinc/39/17/12/570391712.db2.gz JFZPKDVMEVHGQC-UHFFFAOYSA-N 0 0 382.876 4.755 50 0 GJAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCCC(C)C)c3)ncn2)cc1 ZINC000035527264 570392623 /nfs/dbraw/zinc/39/26/23/570392623.db2.gz VOMQCEXNKYHBBT-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1(C)C ZINC000004686563 570393276 /nfs/dbraw/zinc/39/32/76/570393276.db2.gz TVEOZJWCZLSVEY-YADHBBJMSA-N 0 0 390.527 4.836 50 0 GJAARN Cc1ccc(C)c(CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)c1 ZINC000035529127 570393470 /nfs/dbraw/zinc/39/34/70/570393470.db2.gz SBHVUDQSNXPNIF-UHFFFAOYSA-N 0 0 398.557 4.671 50 0 GJAARN C[C@H](OC(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 ZINC000032744894 570393700 /nfs/dbraw/zinc/39/37/00/570393700.db2.gz KIAGJBASDCAFTE-NSHDSACASA-N 0 0 384.284 4.656 50 0 GJAARN COc1cccc(-c2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)c1OC ZINC000024834900 570395427 /nfs/dbraw/zinc/39/54/27/570395427.db2.gz IYEOHCYXDLBMLJ-UHFFFAOYSA-N 0 0 392.839 4.872 50 0 GJAARN Cc1nc(-c2cccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)c2)cs1 ZINC000035558508 570396329 /nfs/dbraw/zinc/39/63/29/570396329.db2.gz YQUGSZIMWREBHW-ZDUSSCGKSA-N 0 0 390.468 4.660 50 0 GJAARN Cc1nc(-c2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2)cs1 ZINC000035557773 570396534 /nfs/dbraw/zinc/39/65/34/570396534.db2.gz WZFZRSHDPGOMSY-ZDUSSCGKSA-N 0 0 390.468 4.660 50 0 GJAARN CSCc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 ZINC000032924764 570396948 /nfs/dbraw/zinc/39/69/48/570396948.db2.gz JUGJFPMWOVFSJI-UHFFFAOYSA-N 0 0 382.460 4.806 50 0 GJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)c2c[nH]c3ccccc23)c1 ZINC000004717876 570397606 /nfs/dbraw/zinc/39/76/06/570397606.db2.gz UJEMPNDJNOUNSU-UHFFFAOYSA-N 0 0 397.434 4.550 50 0 GJAARN O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1-c1ccccc1 ZINC000035564111 570397771 /nfs/dbraw/zinc/39/77/71/570397771.db2.gz BLBBZWZUODWXDP-UHFFFAOYSA-N 0 0 380.419 4.956 50 0 GJAARN COc1ccc(-c2nnc(SCCOc3ccc(Cl)cc3)o2)cc1OC ZINC000005019148 570397894 /nfs/dbraw/zinc/39/78/94/570397894.db2.gz QWUWWVNLPWWJTC-UHFFFAOYSA-N 0 0 392.864 4.578 50 0 GJAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1OC ZINC000004724729 570398137 /nfs/dbraw/zinc/39/81/37/570398137.db2.gz MUJFEBDHDMUXDH-JTSKRJEESA-N 0 0 376.412 4.539 50 0 GJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccc(Cl)c1 ZINC000010970321 570399639 /nfs/dbraw/zinc/39/96/39/570399639.db2.gz HRZBAJIJPOVVER-UHFFFAOYSA-N 0 0 399.903 4.552 50 0 GJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc2ncsc2c1 ZINC000033028445 570399672 /nfs/dbraw/zinc/39/96/72/570399672.db2.gz SMRLTTVDGXBIOH-GOSISDBHSA-N 0 0 385.920 4.517 50 0 GJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCc1cccs1 ZINC000033059996 570400745 /nfs/dbraw/zinc/40/07/45/570400745.db2.gz TVDOTSDZQFYUOT-UHFFFAOYSA-N 0 0 381.526 4.738 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(O)c2)n2c3ccccc3nc2N1 ZINC000004741915 570401297 /nfs/dbraw/zinc/40/12/97/570401297.db2.gz SMKUUHPCDZRREQ-QFIPXVFZSA-N 0 0 396.450 4.670 50 0 GJAARN COC(=O)c1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1 ZINC000035586213 570402128 /nfs/dbraw/zinc/40/21/28/570402128.db2.gz NLGFUJBTCFAJNX-UHFFFAOYSA-N 0 0 390.823 4.642 50 0 GJAARN Cc1csc(=O)n1CCCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000025055240 570404399 /nfs/dbraw/zinc/40/43/99/570404399.db2.gz KEGIMWBKRHFKKN-OAQYLSRUSA-N 0 0 388.577 4.710 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000025075405 570405895 /nfs/dbraw/zinc/40/58/95/570405895.db2.gz FHWCXWYVDKTLRE-UHFFFAOYSA-N 0 0 385.851 4.780 50 0 GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc(F)c1C ZINC000033312588 570406323 /nfs/dbraw/zinc/40/63/23/570406323.db2.gz VBQIUMCIQCYDGZ-UHFFFAOYSA-N 0 0 384.480 4.690 50 0 GJAARN COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)c(OC)c1 ZINC000012988229 570407686 /nfs/dbraw/zinc/40/76/86/570407686.db2.gz PEEBNJBNDILOHU-GOSISDBHSA-N 0 0 399.878 4.744 50 0 GJAARN COc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000012986178 570408742 /nfs/dbraw/zinc/40/87/42/570408742.db2.gz ZMOVFPICZZPXSI-NSHDSACASA-N 0 0 398.286 4.852 50 0 GJAARN O=C(/C=C/c1ccccc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl ZINC000040039734 570409498 /nfs/dbraw/zinc/40/94/98/570409498.db2.gz WPHQDLRLKVLGAQ-JLHYYAGUSA-N 0 0 392.890 4.977 50 0 GJAARN COc1ccc(C(=O)CSc2nnc(-c3cccc4ccccc43)o2)cc1 ZINC000004834808 570409828 /nfs/dbraw/zinc/40/98/28/570409828.db2.gz NCWOIBXRQDLYFN-UHFFFAOYSA-N 0 0 376.437 4.873 50 0 GJAARN COc1cc(Br)c([C@@H]2CC(=O)Nc3c(C)c(C)ccc32)cc1OC ZINC000004838735 570410097 /nfs/dbraw/zinc/41/00/97/570410097.db2.gz OWYBMQNPYTZASZ-CYBMUJFWSA-N 0 0 390.277 4.557 50 0 GJAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1C ZINC000004842000 570410974 /nfs/dbraw/zinc/41/09/74/570410974.db2.gz CRJJQLMCSSWUQM-HNNXBMFYSA-N 0 0 398.528 4.684 50 0 GJAARN Cc1ccc(Nc2nn3c(nc(C)cc3C)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000035671237 570411292 /nfs/dbraw/zinc/41/12/92/570411292.db2.gz NDQRUJWAJPYEBX-UHFFFAOYSA-N 0 0 385.471 4.959 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000005077452 570412929 /nfs/dbraw/zinc/41/29/29/570412929.db2.gz FMVZEAWAUWJGLY-UHFFFAOYSA-N 0 0 387.867 4.593 50 0 GJAARN CC(=O)N(C)c1ccccc1C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000024976986 570413223 /nfs/dbraw/zinc/41/32/23/570413223.db2.gz HHIRWILGYJAYDD-UHFFFAOYSA-N 0 0 380.532 4.556 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000025470667 570414665 /nfs/dbraw/zinc/41/46/65/570414665.db2.gz IXMXGSGHBJJMEI-ZZXKWVIFSA-N 0 0 384.284 4.846 50 0 GJAARN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C[C@H](C)O1 ZINC000013005906 570415545 /nfs/dbraw/zinc/41/55/45/570415545.db2.gz XXAFUAXNXKDWHT-BETUJISGSA-N 0 0 386.904 4.866 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 ZINC000005099324 570416164 /nfs/dbraw/zinc/41/61/64/570416164.db2.gz BVKKEKMXPWAHIZ-UHFFFAOYSA-N 0 0 394.858 4.707 50 0 GJAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000025583088 570416532 /nfs/dbraw/zinc/41/65/32/570416532.db2.gz QBCCPELRUDFBQK-AUSIDOKSSA-N 0 0 388.398 4.797 50 0 GJAARN CCOc1ccccc1NC=C1c2ccccc2C(=O)N(Cc2ccccc2)C1=O ZINC000103004396 570416843 /nfs/dbraw/zinc/41/68/43/570416843.db2.gz MYYJUIQJVVIZJX-LTGZKZEYSA-N 0 0 398.462 4.721 50 0 GJAARN COCc1c(Cl)cccc1NC(=O)c1cccc(-n2ccnc2SC)c1 ZINC000123388008 570416846 /nfs/dbraw/zinc/41/68/46/570416846.db2.gz CSXTWIBNLRZQOW-UHFFFAOYSA-N 0 0 387.892 4.646 50 0 GJAARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)c2cnn(Cc3cccs3)c2n1 ZINC000025617966 570417155 /nfs/dbraw/zinc/41/71/55/570417155.db2.gz WHUNVFRXHOLEBD-INIZCTEOSA-N 0 0 390.512 4.683 50 0 GJAARN CCOc1ccc([C@@H](NC(=O)/C=C\c2ccco2)c2ccc(OC)cc2)cc1 ZINC000033784086 570417601 /nfs/dbraw/zinc/41/76/01/570417601.db2.gz LXGXNDDXJHNRIE-SYKNXGGPSA-N 0 0 377.440 4.606 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000025664994 570417758 /nfs/dbraw/zinc/41/77/58/570417758.db2.gz JJSSECSJEFTAER-KOSHJBKYSA-N 0 0 398.462 4.522 50 0 GJAARN O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000005120190 570420569 /nfs/dbraw/zinc/42/05/69/570420569.db2.gz BKGMDGXFQNTUIV-AQTBWJFISA-N 0 0 399.837 4.532 50 0 GJAARN Cc1ccc(C)c(OCc2ccc(C(=O)Nc3cc(-c4ccncc4)[nH]n3)o2)c1 ZINC000072255837 570421228 /nfs/dbraw/zinc/42/12/28/570421228.db2.gz WOHXDMIBJJTHQV-UHFFFAOYSA-N 0 0 388.427 4.513 50 0 GJAARN Cc1cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c(C)s1 ZINC000061523343 570421969 /nfs/dbraw/zinc/42/19/69/570421969.db2.gz XPKRSEHTJJFPGN-UHFFFAOYSA-N 0 0 375.497 4.693 50 0 GJAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1C[C@@H]1CCCO1 ZINC000005129770 570422683 /nfs/dbraw/zinc/42/26/83/570422683.db2.gz SOPQHCBKFVKOFC-INIZCTEOSA-N 0 0 386.904 4.521 50 0 GJAARN CCOc1ccc(CC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1 ZINC000005136988 570423780 /nfs/dbraw/zinc/42/37/80/570423780.db2.gz HUZUCYSJMRMGSK-UHFFFAOYSA-N 0 0 398.503 4.558 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccccc1Cl ZINC000005136147 570424560 /nfs/dbraw/zinc/42/45/60/570424560.db2.gz ITPRKBXRMUTBOM-UHFFFAOYSA-N 0 0 380.831 4.778 50 0 GJAARN Cn1c2ccccc2c2cc([C@H]3[NH2+][C@@H](C(=O)[O-])Cc4c5ccccc5[nH]c43)ccc21 ZINC000001787672 570424614 /nfs/dbraw/zinc/42/46/14/570424614.db2.gz NGQNWWAYSMYTDE-NFBKMPQASA-N 0 0 395.462 4.501 50 0 biogenic GJAARN CCCN1c2ccccc2[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)C1=O ZINC000005028304 570424881 /nfs/dbraw/zinc/42/48/81/570424881.db2.gz LWBKWNWLHNVMHJ-DEOSSOPVSA-N 0 0 380.451 4.587 50 0 GJAARN CC(=O)c1c[nH]c(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 ZINC000026366888 570424991 /nfs/dbraw/zinc/42/49/91/570424991.db2.gz JYJUSUNDZBZUSF-UHFFFAOYSA-N 0 0 394.283 4.824 50 0 GJAARN O=C(Cc1csc(-c2ccccn2)n1)N(Cc1ccccc1)c1ccccc1 ZINC000026369083 570425171 /nfs/dbraw/zinc/42/51/71/570425171.db2.gz SNWNGHNRFUEHCR-UHFFFAOYSA-N 0 0 385.492 4.981 50 0 GJAARN c1ccc(-c2nc3c4ccccc4nc(N4CCc5ccccc5C4)n3n2)cc1 ZINC000005055212 570427004 /nfs/dbraw/zinc/42/70/04/570427004.db2.gz YVFVSDYNBPPXPV-UHFFFAOYSA-N 0 0 377.451 4.507 50 0 GJAARN C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccccc1 ZINC000005147370 570427347 /nfs/dbraw/zinc/42/73/47/570427347.db2.gz QHCSYSWCAOTQSA-AWEZNQCLSA-N 0 0 379.460 4.622 50 0 GJAARN Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(Cl)s3)sc2cc1C ZINC000005152608 570429003 /nfs/dbraw/zinc/42/90/03/570429003.db2.gz BUYXZSZFZDABQF-UHFFFAOYSA-N 0 0 393.965 4.836 50 0 GJAARN CC(C)c1oc([C@@H]2CCCN2CCOC[C@H]2CCCCO2)nc1-c1ccccc1 ZINC000241930363 570431824 /nfs/dbraw/zinc/43/18/24/570431824.db2.gz UHYOTCOMLSQKFP-RTWAWAEBSA-N 0 0 398.547 5.188 50 0 GJAARN COc1cccc([C@@H]2C[C@@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 ZINC000072270312 570434790 /nfs/dbraw/zinc/43/47/90/570434790.db2.gz NUICLNMFNXEAMK-SFTDATJTSA-N 0 0 392.524 4.840 50 0 GJAARN O=C([C@@H]1CC=CCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132420 570435666 /nfs/dbraw/zinc/43/56/66/570435666.db2.gz WVKMTGMGTRFQNB-HXUWFJFHSA-N 0 0 396.481 4.555 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3nc4c(cc(C)cc4C)s3)no2)cc1 ZINC000027579931 570435912 /nfs/dbraw/zinc/43/59/12/570435912.db2.gz NDRBWEMOWROIPR-UHFFFAOYSA-N 0 0 379.441 4.829 50 0 GJAARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccccc1Cl ZINC000005779770 570436052 /nfs/dbraw/zinc/43/60/52/570436052.db2.gz BXBIKFTYBBMTMC-UHFFFAOYSA-N 0 0 383.806 4.728 50 0 GJAARN CC(C)c1ccc2oc(=O)cc(CN3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000054106041 570441305 /nfs/dbraw/zinc/44/13/05/570441305.db2.gz RBMDMUOFGINFAR-UHFFFAOYSA-N 0 0 396.918 4.892 50 0 GJAARN CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@@H]2C[C@H](O)[C@](C)(C3SCCS3)C[C@@H]12 ZINC000252427795 570442340 /nfs/dbraw/zinc/44/23/40/570442340.db2.gz GEFRKHXTFACOQE-NLKQXVMISA-N 0 0 398.634 4.718 50 0 GJAARN O=C(Nc1cncc(Br)c1Cl)c1cnc(-c2ccccc2)s1 ZINC000124699471 570442754 /nfs/dbraw/zinc/44/27/54/570442754.db2.gz VHRIYUANYKJKQX-UHFFFAOYSA-N 0 0 394.681 4.873 50 0 GJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1onc2c1C[C@@H](C)CC2 ZINC000027794725 570442890 /nfs/dbraw/zinc/44/28/90/570442890.db2.gz HXLYOODWXMMJAF-VIFPVBQESA-N 0 0 389.249 4.869 50 0 GJAARN COc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1C ZINC000027794393 570443004 /nfs/dbraw/zinc/44/30/04/570443004.db2.gz OYQFSKWTKXGBFB-UHFFFAOYSA-N 0 0 399.450 4.824 50 0 GJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1onc2c1C[C@H](C)CC2 ZINC000027794723 570443138 /nfs/dbraw/zinc/44/31/38/570443138.db2.gz HXLYOODWXMMJAF-SECBINFHSA-N 0 0 389.249 4.869 50 0 GJAARN CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccccc3)cc(=O)c2c1 ZINC000027795114 570443378 /nfs/dbraw/zinc/44/33/78/570443378.db2.gz XIPHCNLNGZGIIS-UHFFFAOYSA-N 0 0 387.435 4.791 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1 ZINC000027851352 570444769 /nfs/dbraw/zinc/44/47/69/570444769.db2.gz LGUOCGUVDDCKII-HUUCEWRRSA-N 0 0 382.451 4.898 50 0 GJAARN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000089350718 570446935 /nfs/dbraw/zinc/44/69/35/570446935.db2.gz IYUBSDCRRWOACK-UHFFFAOYSA-N 0 0 392.459 4.612 50 0 GJAARN Cc1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)cc1 ZINC000011914561 570447676 /nfs/dbraw/zinc/44/76/76/570447676.db2.gz GQDCLQCHXKECEZ-UHFFFAOYSA-N 0 0 381.273 5.000 50 0 GJAARN COc1ccc(-c2nc(CCNC(=O)c3cccc4ccccc43)cs2)cc1 ZINC000027993607 570448698 /nfs/dbraw/zinc/44/86/98/570448698.db2.gz GIGRUPOBRMUMGG-UHFFFAOYSA-N 0 0 388.492 4.944 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CCc4sccc4C3)n2)cc1 ZINC000028174389 570451507 /nfs/dbraw/zinc/45/15/07/570451507.db2.gz NNMWFDCRADZXRT-AWEZNQCLSA-N 0 0 383.542 4.565 50 0 GJAARN CCc1cccc(CC)c1NC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000001980275 570451827 /nfs/dbraw/zinc/45/18/27/570451827.db2.gz DEGHBOASKPOBHY-INIZCTEOSA-N 0 0 384.545 4.819 50 0 GJAARN CC1(C)C[C@@H](C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CCO1 ZINC000000627729 570452414 /nfs/dbraw/zinc/45/24/14/570452414.db2.gz KCFPWFWFSQXBOD-KRWDZBQOSA-N 0 0 392.451 4.613 50 0 biogenic GJAARN C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1nc2ccccc2s1 ZINC000012000706 570453409 /nfs/dbraw/zinc/45/34/09/570453409.db2.gz XVOYZXHIMSPCHW-CYBMUJFWSA-N 0 0 392.509 4.873 50 0 GJAARN O=c1nc(SCc2ccccc2Cl)c2c(n1Cc1ccccc1)CCC2 ZINC000028286799 570454250 /nfs/dbraw/zinc/45/42/50/570454250.db2.gz UOWKOKNJTXCIAU-UHFFFAOYSA-N 0 0 382.916 4.726 50 0 GJAARN CCCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000028288499 570455109 /nfs/dbraw/zinc/45/51/09/570455109.db2.gz WFBQLYQJRAQQPY-UHFFFAOYSA-N 0 0 380.513 4.962 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000089481858 570455579 /nfs/dbraw/zinc/45/55/79/570455579.db2.gz LRPJGWNRKABGGE-LJQANCHMSA-N 0 0 381.403 4.689 50 0 GJAARN Cc1[nH]nc2c1[C@H](c1ccc(C)cc1)N(c1ccc(Br)cc1)C2=O ZINC000005818329 570458244 /nfs/dbraw/zinc/45/82/44/570458244.db2.gz XWJVUKXMIRJWLR-SFHVURJKSA-N 0 0 382.261 4.539 50 0 GJAARN C[C@H](Sc1nnc2ccc(C(F)(F)F)cn21)C(=O)c1ccc(Cl)cc1 ZINC000024141067 570461532 /nfs/dbraw/zinc/46/15/32/570461532.db2.gz NPVJUDDNWFPZEW-VIFPVBQESA-N 0 0 385.798 4.765 50 0 GJAARN CCSc1nc2ccc(Br)cc2c(=O)n1[C@H](C)c1ccccc1 ZINC000006510359 570462397 /nfs/dbraw/zinc/46/23/97/570462397.db2.gz DLRTWUAJNCVRGQ-GFCCVEGCSA-N 0 0 389.318 4.880 50 0 GJAARN CC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(F)cc3)N12 ZINC000002050277 570464638 /nfs/dbraw/zinc/46/46/38/570464638.db2.gz SELFAJCGOLGRGZ-UHFFFAOYSA-N 0 0 377.263 4.581 50 0 GJAARN O=C(NCc1cn2ccccc2n1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000028833601 570464821 /nfs/dbraw/zinc/46/48/21/570464821.db2.gz MSMSAVNFUUDBCO-UHFFFAOYSA-N 0 0 395.384 4.950 50 0 GJAARN CN1c2cc(Cl)ccc2S/C1=C1/S/C(=N\C2CCCCC2)N(C)C1=O ZINC000002070831 570465294 /nfs/dbraw/zinc/46/52/94/570465294.db2.gz VLXYRGUQDLQCPV-HBCHKDQGSA-N 0 0 393.965 4.945 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000026458114 570467717 /nfs/dbraw/zinc/46/77/17/570467717.db2.gz DJYDSTOUUKQGGK-INIZCTEOSA-N 0 0 390.270 4.738 50 0 GJAARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccccc3Cl)ccc2O[C@@H](C)C1=O ZINC000035873867 570469177 /nfs/dbraw/zinc/46/91/77/570469177.db2.gz QUSUKFXJSXFBKF-KBPBESRZSA-N 0 0 386.879 4.500 50 0 GJAARN O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCCCCC1 ZINC000029237261 570470501 /nfs/dbraw/zinc/47/05/01/570470501.db2.gz ZDPWCTHXWLXOFJ-UHFFFAOYSA-N 0 0 386.289 4.696 50 0 GJAARN O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029269091 570471278 /nfs/dbraw/zinc/47/12/78/570471278.db2.gz LPHCNJIQDYANQL-UHFFFAOYSA-N 0 0 378.863 4.717 50 0 GJAARN COc1ccc(NC(=O)c2nnc(CSc3ccc(Cl)cc3)s2)cc1 ZINC000029297139 570471837 /nfs/dbraw/zinc/47/18/37/570471837.db2.gz AHDIJLXZTQQUSC-UHFFFAOYSA-N 0 0 391.905 4.745 50 0 GJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000029331600 570472345 /nfs/dbraw/zinc/47/23/45/570472345.db2.gz AKTRMMYRKJQCFO-UHFFFAOYSA-N 0 0 396.903 4.920 50 0 GJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(C)n1 ZINC000029435762 570473742 /nfs/dbraw/zinc/47/37/42/570473742.db2.gz PWKXLETWHHKWJT-UHFFFAOYSA-N 0 0 396.512 4.701 50 0 GJAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000006298288 570476048 /nfs/dbraw/zinc/47/60/48/570476048.db2.gz FDEWBYSPJSVXQI-UHFFFAOYSA-N 0 0 378.453 4.614 50 0 GJAARN CCCCc1nnc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)s1 ZINC000006559941 570476903 /nfs/dbraw/zinc/47/69/03/570476903.db2.gz MKDFICCSWQVDNF-UHFFFAOYSA-N 0 0 392.937 4.839 50 0 GJAARN Cc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c2c1[C@@H](C)CC2=O ZINC000011052946 570477996 /nfs/dbraw/zinc/47/79/96/570477996.db2.gz REKSUVGBHVQOOI-WNSKOXEYSA-N 0 0 383.463 4.716 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(F)cccc1Cl ZINC000006566192 570479201 /nfs/dbraw/zinc/47/92/01/570479201.db2.gz QZEDRYSETAJESE-LBTNJELSSA-N 0 0 384.875 4.569 50 0 GJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccccc1Br ZINC000006567146 570479642 /nfs/dbraw/zinc/47/96/42/570479642.db2.gz BTNLQOGFJLPLSF-UHFFFAOYSA-N 0 0 396.697 4.710 50 0 GJAARN O=C(Nc1nccs1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000000780588 570479938 /nfs/dbraw/zinc/47/99/38/570479938.db2.gz QVYAGVDOGXNJSC-UHFFFAOYSA-N 0 0 388.408 4.859 50 0 GJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000029787197 570479947 /nfs/dbraw/zinc/47/99/47/570479947.db2.gz UKLJGUOKHJMMMI-GOSISDBHSA-N 0 0 381.303 4.855 50 0 GJAARN Cc1cc(OCCCSc2nc(-c3ccccc3)cc(=O)[nH]2)ccc1Cl ZINC000006459190 570480811 /nfs/dbraw/zinc/48/08/11/570480811.db2.gz MWCZFALDKMLSDK-UHFFFAOYSA-N 0 0 386.904 4.960 50 0 GJAARN CCOc1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC ZINC000006578737 570481329 /nfs/dbraw/zinc/48/13/29/570481329.db2.gz VAIYSIRUZZRZER-UHFFFAOYSA-N 0 0 391.895 4.563 50 0 GJAARN Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000072289440 570481971 /nfs/dbraw/zinc/48/19/71/570481971.db2.gz YTJPZONUKDWILG-UHFFFAOYSA-N 0 0 383.467 4.600 50 0 GJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)c1ccc(Br)cc1 ZINC000000828235 570485532 /nfs/dbraw/zinc/48/55/32/570485532.db2.gz NNIPCPHFEIZMGW-UHFFFAOYSA-N 0 0 383.167 4.701 50 0 GJAARN COc1ccc2nc(C)c(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)cc2c1 ZINC000030135119 570486174 /nfs/dbraw/zinc/48/61/74/570486174.db2.gz MUNAJUTWRQEWBI-UHFFFAOYSA-N 0 0 378.516 4.840 50 0 GJAARN COc1cc(SC)ccc1C(=O)Nc1ccc(-n2ccnc2C(C)C)cc1 ZINC000006659429 570486514 /nfs/dbraw/zinc/48/65/14/570486514.db2.gz GKZIRVDODAFWED-UHFFFAOYSA-N 0 0 381.501 4.979 50 0 GJAARN Cc1nnc2ccc(-c3cccc(NC(=O)c4cccc5ccccc54)c3)nn12 ZINC000005168919 570490646 /nfs/dbraw/zinc/49/06/46/570490646.db2.gz BSKCCAKBKAHBMS-UHFFFAOYSA-N 0 0 379.423 4.505 50 0 GJAARN COc1ccc2nc(C)c(C(=O)N(C)Cc3ccccc3Br)cc2c1 ZINC000030550625 570490963 /nfs/dbraw/zinc/49/09/63/570490963.db2.gz BLJTUZHUEGVDLO-UHFFFAOYSA-N 0 0 399.288 4.587 50 0 GJAARN Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000030585809 570491874 /nfs/dbraw/zinc/49/18/74/570491874.db2.gz UGXMJLWKYLQRDK-UHFFFAOYSA-N 0 0 381.856 4.800 50 0 GJAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n[nH]2)cc1 ZINC000005180223 570495034 /nfs/dbraw/zinc/49/50/34/570495034.db2.gz MQEFZYIAFANWHL-KBPBESRZSA-N 0 0 398.507 4.531 50 0 GJAARN COCCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2C1 ZINC000054313673 570495176 /nfs/dbraw/zinc/49/51/76/570495176.db2.gz JGQPCVAJYWCRIS-UHFFFAOYSA-N 0 0 399.874 4.610 50 0 biogenic GJAARN Fc1ccc(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)cc1Cl ZINC000030795071 570496189 /nfs/dbraw/zinc/49/61/89/570496189.db2.gz UFRMGVXLYWFEHK-LLVKDONJSA-N 0 0 378.885 4.572 50 0 GJAARN Cc1ccc(C)c2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc21 ZINC000005182453 570496631 /nfs/dbraw/zinc/49/66/31/570496631.db2.gz KQPBRRFMGVPZTB-UHFFFAOYSA-N 0 0 391.949 4.590 50 0 GJAARN Cc1cccc(NC(=O)OCCNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1C ZINC000003087645 570502720 /nfs/dbraw/zinc/50/27/20/570502720.db2.gz URQMKSZMXYUHCW-XJKSGUPXSA-N 0 0 399.318 4.559 50 0 GJAARN COC(=O)CCOc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000072298139 570503571 /nfs/dbraw/zinc/50/35/71/570503571.db2.gz LJUCZQURXSVXTM-UHFFFAOYSA-N 0 0 375.424 4.548 50 0 GJAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 ZINC000005210486 570507350 /nfs/dbraw/zinc/50/73/50/570507350.db2.gz NIJOYOALQCJHRV-LSDHHAIUSA-N 0 0 379.485 4.503 50 0 GJAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccsc4)c(C)c3cc12 ZINC000006624108 570508424 /nfs/dbraw/zinc/50/84/24/570508424.db2.gz JBGOSALCRHJKPU-UHFFFAOYSA-N 0 0 395.480 4.509 50 0 biogenic GJAARN C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000036007201 570510783 /nfs/dbraw/zinc/51/07/83/570510783.db2.gz MNVZAXASRIFKJS-OPAMFIHVSA-N 0 0 396.581 4.977 50 0 GJAARN COc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 ZINC000002763643 570512452 /nfs/dbraw/zinc/51/24/52/570512452.db2.gz VTLZPQHWSGAEIH-UHFFFAOYSA-N 0 0 398.418 4.891 50 0 GJAARN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3Cl)n2)c1 ZINC000007720390 570513577 /nfs/dbraw/zinc/51/35/77/570513577.db2.gz UEFFCPISVVJMIM-UHFFFAOYSA-N 0 0 376.243 4.624 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)n2C)n1 ZINC000064668195 570514169 /nfs/dbraw/zinc/51/41/69/570514169.db2.gz VKKBDGYWGDUNAE-UHFFFAOYSA-N 0 0 395.937 4.528 50 0 GJAARN COc1ccc(OC(=O)c2cc3c(C)nn(-c4cccc(F)c4)c3s2)cc1 ZINC000064666364 570514267 /nfs/dbraw/zinc/51/42/67/570514267.db2.gz DQFSGCZAPPFYQR-UHFFFAOYSA-N 0 0 382.416 4.762 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1C ZINC000064664425 570515797 /nfs/dbraw/zinc/51/57/97/570515797.db2.gz AJRRJNBSCLATCQ-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN COc1ccc2cc([C@H](C)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2c1 ZINC000072304830 570516629 /nfs/dbraw/zinc/51/66/29/570516629.db2.gz UDXGTDVWXHYBLY-KRWDZBQOSA-N 0 0 392.474 4.507 50 0 GJAARN Cc1sc(NC(=O)c2cnc3ccccc3n2)nc1-c1ccc(F)c(F)c1 ZINC000006648216 570517482 /nfs/dbraw/zinc/51/74/82/570517482.db2.gz ZACQIERMWFCWFO-UHFFFAOYSA-N 0 0 382.395 4.592 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000002795603 570518416 /nfs/dbraw/zinc/51/84/16/570518416.db2.gz GGTVATAEOLBMDX-UHFFFAOYSA-N 0 0 398.196 4.757 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033048599 570518834 /nfs/dbraw/zinc/51/88/34/570518834.db2.gz RDEKMKNIVSJHAF-HXUWFJFHSA-N 0 0 387.414 4.704 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cn2c3c(cccc3c1=O)CC2 ZINC000033088756 570519578 /nfs/dbraw/zinc/51/95/78/570519578.db2.gz HATKAGQVEWVDQQ-UHFFFAOYSA-N 0 0 382.419 4.602 50 0 GJAARN CCN(CC)c1ccc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 ZINC000006654350 570521139 /nfs/dbraw/zinc/52/11/39/570521139.db2.gz QAAIGTHVCWYRFX-HXUWFJFHSA-N 0 0 396.560 4.633 50 0 GJAARN BrC(Br)(Br)c1ccc2ccccc2n1 ZINC000008078163 570522145 /nfs/dbraw/zinc/52/21/45/570522145.db2.gz 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Cn1c(CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nc2ccccc21 ZINC000032960824 570531383 /nfs/dbraw/zinc/53/13/83/570531383.db2.gz WUOPWIWGOZYNHI-UHFFFAOYSA-N 0 0 387.458 4.679 50 0 GJAARN O=C(CSc1nc2c(cc(Cl)cc2Cl)[nH]1)N1CCc2ccccc2C1 ZINC000005265684 570533101 /nfs/dbraw/zinc/53/31/01/570533101.db2.gz RYLDENSHEFZUIS-UHFFFAOYSA-N 0 0 392.311 4.547 50 0 GJAARN CCOc1ccc(CCNC(=O)c2cc(C)nc3ccc(C)cc32)cc1OCC ZINC000032961507 570533286 /nfs/dbraw/zinc/53/32/86/570533286.db2.gz ORLSXJJELFATIH-UHFFFAOYSA-N 0 0 392.499 4.622 50 0 GJAARN Cc1ccc(Cn2ccnc2CN(C(=O)c2ccc(Cl)cc2)C(C)C)cc1 ZINC000006689193 570533953 /nfs/dbraw/zinc/53/39/53/570533953.db2.gz YYSDUKADVYZEKL-UHFFFAOYSA-N 0 0 381.907 4.944 50 0 GJAARN COc1ccc(-c2ccnn2-c2ccc(SCc3ccc(C)cc3)nn2)cc1 ZINC000064755459 570534446 /nfs/dbraw/zinc/53/44/46/570534446.db2.gz OGDANRNJHAVACH-UHFFFAOYSA-N 0 0 388.496 4.939 50 0 GJAARN Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(-c3ccco3)nc2n1 ZINC000008616686 570536005 /nfs/dbraw/zinc/53/60/05/570536005.db2.gz 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CCSc1ccccc1C(=O)Nc1nnc(Cc2ccccc2OC)s1 ZINC000009614714 570560349 /nfs/dbraw/zinc/56/03/49/570560349.db2.gz IQDUHCZEGXPNLI-UHFFFAOYSA-N 0 0 385.514 4.502 50 0 GJAARN Cc1cc(C)cc(NC(=O)N(C)CCc2noc(-c3ccccc3Cl)n2)c1 ZINC000064839952 570560686 /nfs/dbraw/zinc/56/06/86/570560686.db2.gz ZNRZAGNUTKIYHV-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN Cc1ccc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)cc1Cl ZINC000064839702 570560698 /nfs/dbraw/zinc/56/06/98/570560698.db2.gz VEIYDGMBWVJRAI-UHFFFAOYSA-N 0 0 376.888 4.786 50 0 GJAARN Cn1c2ccccc2c(=O)c(-c2ccccc2F)c1NC(=O)c1cccs1 ZINC000005346062 570561242 /nfs/dbraw/zinc/56/12/42/570561242.db2.gz CHRAJLHUZNBNOY-UHFFFAOYSA-N 0 0 378.428 4.658 50 0 GJAARN Cc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248192 570561490 /nfs/dbraw/zinc/56/14/90/570561490.db2.gz QFVZPVLLKCFJPE-UHFFFAOYSA-N 0 0 391.414 4.808 50 0 GJAARN C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)c(F)c1F ZINC000005362074 570564229 /nfs/dbraw/zinc/56/42/29/570564229.db2.gz 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COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2cccc(C)c2)cc1 ZINC000036247362 570581677 /nfs/dbraw/zinc/58/16/77/570581677.db2.gz RBVMOSWJQJXDLN-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN COc1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccc(C)c(F)c2)c1 ZINC000036248057 570581932 /nfs/dbraw/zinc/58/19/32/570581932.db2.gz BDUAPDJZMGBEJH-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2C)cc1 ZINC000036248038 570581941 /nfs/dbraw/zinc/58/19/41/570581941.db2.gz CAMFCUWFKKNCKK-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN O=C(c1ccco1)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249433 570583076 /nfs/dbraw/zinc/58/30/76/570583076.db2.gz FUTVWZBHCQXKHH-UHFFFAOYSA-N 0 0 391.471 4.730 50 0 GJAARN COc1cccc(S(=O)(=O)N(c2ccccc2)[C@H](C)c2ccccc2C)c1 ZINC000036248639 570583079 /nfs/dbraw/zinc/58/30/79/570583079.db2.gz RMVNAXQESUWJKX-GOSISDBHSA-N 0 0 381.497 4.960 50 0 GJAARN Cc1ccc(Cl)c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1Cl ZINC000005399389 570584690 /nfs/dbraw/zinc/58/46/90/570584690.db2.gz AUYYIXCKOLPXAI-UHFFFAOYSA-N 0 0 397.331 4.836 50 0 GJAARN Cc1ccccc1-c1nc(OCC(C)C)nn1-c1cccc(NC(=O)C(C)C)c1 ZINC000006776039 570584831 /nfs/dbraw/zinc/58/48/31/570584831.db2.gz GHEDMWAOYFTYPG-UHFFFAOYSA-N 0 0 392.503 4.872 50 0 GJAARN CC(C)COc1nc(-c2cccs2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000006776382 570585167 /nfs/dbraw/zinc/58/51/67/570585167.db2.gz MVJZXSWQYMSUFV-UHFFFAOYSA-N 0 0 396.516 4.769 50 0 GJAARN CCOc1ccc(C(=O)[C@H](C)[C@@H](C)c2cc(Cl)cc3c2OCOC3)c(O)c1 ZINC000002160654 570588952 /nfs/dbraw/zinc/58/89/52/570588952.db2.gz ZHTDENBYWIFXCL-CHWSQXEVSA-N 0 0 390.863 4.933 50 0 biogenic GJAARN COc1ccccc1C(=O)Nc1c(-c2cccc(C)c2)c(=O)c2ccccc2n1C ZINC000005423417 570590355 /nfs/dbraw/zinc/59/03/55/570590355.db2.gz WMVWTDPZLBDJRA-UHFFFAOYSA-N 0 0 398.462 4.775 50 0 GJAARN COc1cccc(CN(C)C(=O)c2ccccc2OCc2ccc(F)cc2)c1 ZINC000006784965 570591932 /nfs/dbraw/zinc/59/19/32/570591932.db2.gz FQNIAGWUOLUXAL-UHFFFAOYSA-N 0 0 379.431 4.686 50 0 GJAARN O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl)c1ccco1 ZINC000006785450 570592028 /nfs/dbraw/zinc/59/20/28/570592028.db2.gz PBAHVJNDEATUMM-UHFFFAOYSA-N 0 0 389.238 4.769 50 0 GJAARN Fc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)n1C1CC1 ZINC000002640893 570592183 /nfs/dbraw/zinc/59/21/83/570592183.db2.gz PTIUKOYWDUIUCU-UHFFFAOYSA-N 0 0 393.447 4.761 50 0 GJAARN C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006786770 570592618 /nfs/dbraw/zinc/59/26/18/570592618.db2.gz YFAVFMVEQSEKIZ-LLVKDONJSA-N 0 0 383.391 4.596 50 0 GJAARN C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006786769 570592629 /nfs/dbraw/zinc/59/26/29/570592629.db2.gz YFAVFMVEQSEKIZ-NSHDSACASA-N 0 0 383.391 4.596 50 0 GJAARN O=C(Cc1cccc(F)c1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000006787389 570593043 /nfs/dbraw/zinc/59/30/43/570593043.db2.gz MDCSDYPTAHRGPS-LJQANCHMSA-N 0 0 378.472 4.859 50 0 GJAARN Cc1cnccc1CNC(=O)C[C@H](c1cccc(O)c1)c1ccccc1Cl ZINC000039557817 570593987 /nfs/dbraw/zinc/59/39/87/570593987.db2.gz VGJSQAVBFOFVPM-HXUWFJFHSA-N 0 0 380.875 4.587 50 0 GJAARN CC(C)[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000006789999 570595537 /nfs/dbraw/zinc/59/55/37/570595537.db2.gz HAEFIGLLOOPCLO-OAQYLSRUSA-N 0 0 391.870 4.696 50 0 GJAARN Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c(Cl)c1 ZINC000006790205 570596195 /nfs/dbraw/zinc/59/61/95/570596195.db2.gz ZBPMXCZLMMYOEZ-UHFFFAOYSA-N 0 0 377.893 4.693 50 0 GJAARN Cc1ccc(NC(=O)[C@H](C)n2nc(C)c3sc4ccccc4c3c2=O)c(C)c1 ZINC000006799103 570599448 /nfs/dbraw/zinc/59/94/48/570599448.db2.gz XYMMFUDHWYLGQP-HNNXBMFYSA-N 0 0 391.496 4.736 50 0 GJAARN CCCCN1C(=O)c2ccc(C(=O)Oc3cccc(Cl)c3Cl)cc2C1=O ZINC000003292665 570599702 /nfs/dbraw/zinc/59/97/02/570599702.db2.gz LRCAPRUCOMDVER-UHFFFAOYSA-N 0 0 392.238 4.609 50 0 GJAARN Cc1cccc(C)c1-n1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O ZINC000003280094 570601264 /nfs/dbraw/zinc/60/12/64/570601264.db2.gz UVTJRLHXFHSKKO-UHFFFAOYSA-N 0 0 380.513 4.710 50 0 GJAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2oc(C)cc2C)cc1 ZINC000012058644 570603539 /nfs/dbraw/zinc/60/35/39/570603539.db2.gz KGFILULTHGGJBV-LJQANCHMSA-N 0 0 393.487 4.534 50 0 GJAARN COc1ccc2oc(C(=O)OCC(=O)c3c(C)[nH]c4ccccc43)c(C)c2c1 ZINC000003296088 570603764 /nfs/dbraw/zinc/60/37/64/570603764.db2.gz ZGTNWIHQKZTKCS-UHFFFAOYSA-N 0 0 377.396 4.579 50 0 GJAARN CC(C)Oc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000006801302 570603723 /nfs/dbraw/zinc/60/37/23/570603723.db2.gz DHAGYJUIHMBWLB-UHFFFAOYSA-N 0 0 394.456 4.628 50 0 GJAARN Cc1cccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)c1 ZINC000064949748 570604880 /nfs/dbraw/zinc/60/48/80/570604880.db2.gz YMDWFKBYYDEDGJ-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN COc1ccc(C)cc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012075910 570605431 /nfs/dbraw/zinc/60/54/31/570605431.db2.gz JEQAKKKLCPYPIS-MRXNPFEDSA-N 0 0 386.879 4.784 50 0 GJAARN COc1ccc(C(=O)CN2C=C(c3ccc(OC)cc3)N3CCCCC=C23)cc1 ZINC000136504146 570605890 /nfs/dbraw/zinc/60/58/90/570605890.db2.gz GQLQZMZUTSQMMZ-UHFFFAOYSA-N 0 0 390.483 4.528 50 0 GJAARN COc1ccc(CN(C)c2nc(C)nc3sc4c(c32)CC[C@H](C)C4)c(OC)c1 ZINC000003383900 570606249 /nfs/dbraw/zinc/60/62/49/570606249.db2.gz VRVKLCYEVLRNPD-ZDUSSCGKSA-N 0 0 397.544 4.778 50 0 GJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)Nc1ccccc1Cl ZINC000006807084 570607504 /nfs/dbraw/zinc/60/75/04/570607504.db2.gz KXOVMSYTSSXZDS-UHFFFAOYSA-N 0 0 376.847 4.877 50 0 GJAARN Cc1nnc(SCc2nc(-c3cccs3)no2)n1-c1ccc(C)c(C)c1 ZINC000006804359 570607877 /nfs/dbraw/zinc/60/78/77/570607877.db2.gz MCDVYFFVZJJEBG-UHFFFAOYSA-N 0 0 383.502 4.596 50 0 GJAARN O=C(NCCCn1ccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003452925 570608601 /nfs/dbraw/zinc/60/86/01/570608601.db2.gz QYAUUKYHJGRDIH-UHFFFAOYSA-N 0 0 385.920 4.649 50 0 GJAARN COc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1 ZINC000005478578 570608664 /nfs/dbraw/zinc/60/86/64/570608664.db2.gz UQOBMYBPWXOKBY-FQEVSTJZSA-N 0 0 389.426 4.653 50 0 GJAARN Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c(Br)c1 ZINC000007979883 570611002 /nfs/dbraw/zinc/61/10/02/570611002.db2.gz DIHLZPMUSCIXOC-UHFFFAOYSA-N 0 0 396.668 4.825 50 0 GJAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000005484988 570612281 /nfs/dbraw/zinc/61/22/81/570612281.db2.gz NXTITHMSUBMOCT-MRXNPFEDSA-N 0 0 387.451 4.969 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3nc(SCC)ncc3Cl)sc2c1 ZINC000006810500 570612927 /nfs/dbraw/zinc/61/29/27/570612927.db2.gz IRFJIIRDVHJYAQ-UHFFFAOYSA-N 0 0 394.909 4.503 50 0 GJAARN CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2Br)n1 ZINC000006810516 570614567 /nfs/dbraw/zinc/61/45/67/570614567.db2.gz JLRWGVAQZZJZKZ-UHFFFAOYSA-N 0 0 386.702 4.647 50 0 GJAARN COc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169685723 570615267 /nfs/dbraw/zinc/61/52/67/570615267.db2.gz BOXBACPWKUTOAG-UGKGYDQZSA-N 0 0 391.858 4.986 50 0 GJAARN CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1cccc(OC)c1 ZINC000225781879 570616820 /nfs/dbraw/zinc/61/68/20/570616820.db2.gz VUAYLRCHFONZFK-KRWDZBQOSA-N 0 0 394.327 4.657 50 0 GJAARN Cc1ccccc1-c1nc2cc(NC(=O)COc3ccccc3F)ccc2o1 ZINC000033003956 570617615 /nfs/dbraw/zinc/61/76/15/570617615.db2.gz AOLAOIXIKJONHN-UHFFFAOYSA-N 0 0 376.387 4.960 50 0 GJAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc2c(c1)OCCO2 ZINC000004194618 570623012 /nfs/dbraw/zinc/62/30/12/570623012.db2.gz ZBMOSVLHFPXQIF-UHFFFAOYSA-N 0 0 378.862 4.549 50 0 GJAARN COc1ccc(C)cc1NC(=O)Cc1csc(COc2cc(C)ccc2C)n1 ZINC000033011701 570623538 /nfs/dbraw/zinc/62/35/38/570623538.db2.gz JZJQATNQALFHEL-UHFFFAOYSA-N 0 0 396.512 4.837 50 0 GJAARN Clc1ccc(OCc2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1 ZINC000064980063 570624509 /nfs/dbraw/zinc/62/45/09/570624509.db2.gz YXCIUPKBEYWDQF-UHFFFAOYSA-N 0 0 395.850 4.829 50 0 GJAARN CCOc1ccc2ccccc2c1C(=O)NCC[C@@H](CCO)c1ccccc1 ZINC000206626275 570625295 /nfs/dbraw/zinc/62/52/95/570625295.db2.gz RFCKFAQOBNYFNT-IBGZPJMESA-N 0 0 377.484 4.525 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CN3CCCC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343824 570626641 /nfs/dbraw/zinc/62/66/41/570626641.db2.gz PFPJHPBTVKMRTP-QFIPXVFZSA-N 0 0 395.934 4.730 50 0 GJAARN O=C(Nc1cc(-c2ccccc2)ns1)c1c(F)ccc(OC(F)F)c1F ZINC000152094508 570626979 /nfs/dbraw/zinc/62/69/79/570626979.db2.gz BXVRHQFWKIVNRP-UHFFFAOYSA-N 0 0 382.338 4.942 50 0 GJAARN O=C(NCCCn1ccnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000006829865 570629227 /nfs/dbraw/zinc/62/92/27/570629227.db2.gz AWALDKRAESESAJ-UHFFFAOYSA-N 0 0 390.874 4.572 50 0 GJAARN COc1ccc(OC)c([C@H]2c3cccn3CCCN2Cc2ccccc2OC)c1 ZINC000036347988 570630296 /nfs/dbraw/zinc/63/02/96/570630296.db2.gz OCENZXHRUVOXRX-DEOSSOPVSA-N 0 0 392.499 4.509 50 0 GJAARN Cc1cccc(NC(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)c1 ZINC000096372539 570631260 /nfs/dbraw/zinc/63/12/60/570631260.db2.gz VNUNTCWXEMZPFC-UHFFFAOYSA-N 0 0 378.451 4.731 50 0 GJAARN CC1CCN(C(=O)c2ccc(-c3cc(NC4CCCCC4)ncn3)cc2)CC1 ZINC000064989487 570632272 /nfs/dbraw/zinc/63/22/72/570632272.db2.gz GFWNFASWEATHAW-UHFFFAOYSA-N 0 0 378.520 4.760 50 0 GJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)CCC4CCCC4)cc32)c1 ZINC000064990065 570632823 /nfs/dbraw/zinc/63/28/23/570632823.db2.gz MBAGXWPYGYSMMJ-UHFFFAOYSA-N 0 0 390.527 4.785 50 0 GJAARN O=C1CCC[C@@H]1Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F ZINC000006831652 570635125 /nfs/dbraw/zinc/63/51/25/570635125.db2.gz QHSOBTHANBNNAQ-KRWDZBQOSA-N 0 0 387.867 4.941 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1 ZINC000033020520 570646086 /nfs/dbraw/zinc/64/60/86/570646086.db2.gz IFZWGGNPMBWUKS-UHFFFAOYSA-N 0 0 399.494 4.548 50 0 GJAARN COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1F ZINC000012371686 570647727 /nfs/dbraw/zinc/64/77/27/570647727.db2.gz HEYYCMZEDDYGMW-OAHLLOKOSA-N 0 0 383.444 4.949 50 0 GJAARN CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000005561768 570648455 /nfs/dbraw/zinc/64/84/55/570648455.db2.gz HRQYNXXZLDJEDS-MSOLQXFVSA-N 0 0 395.894 4.672 50 0 GJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCC(C)CC4)cc3)ccc21 ZINC000065026833 570649908 /nfs/dbraw/zinc/64/99/08/570649908.db2.gz SYUZEAKNMMQQHW-UHFFFAOYSA-N 0 0 376.500 4.525 50 0 GJAARN Cc1nn(C)cc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl ZINC000012385933 570650956 /nfs/dbraw/zinc/65/09/56/570650956.db2.gz KXBNXXNQNBDPDW-HXUWFJFHSA-N 0 0 381.907 4.563 50 0 GJAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)c1 ZINC000065032284 570652471 /nfs/dbraw/zinc/65/24/71/570652471.db2.gz BVORCMVZXKZWPS-UHFFFAOYSA-N 0 0 376.441 4.794 50 0 GJAARN CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccccn1 ZINC000072314181 570653701 /nfs/dbraw/zinc/65/37/01/570653701.db2.gz LOAPRMCMLZSRAS-QGZVFWFLSA-N 0 0 389.337 4.708 50 0 GJAARN Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)Nc1nccs1 ZINC000012409950 570655796 /nfs/dbraw/zinc/65/57/96/570655796.db2.gz IKEYUHRTMBFZIT-UHFFFAOYSA-N 0 0 385.392 4.726 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCCc1ccccc1 ZINC000012419339 570657369 /nfs/dbraw/zinc/65/73/69/570657369.db2.gz RQWDHRLIDOSOCK-KRWDZBQOSA-N 0 0 379.481 4.852 50 0 GJAARN O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(F)c(F)c1 ZINC000033025751 570660510 /nfs/dbraw/zinc/66/05/10/570660510.db2.gz XVMOAYLSTCJHLJ-UHFFFAOYSA-N 0 0 384.407 4.914 50 0 GJAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O ZINC000033026894 570661882 /nfs/dbraw/zinc/66/18/82/570661882.db2.gz CCWZLTQEWBKHQJ-HXUWFJFHSA-N 0 0 379.362 4.671 50 0 GJAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)c2c1C ZINC000005429085 570662280 /nfs/dbraw/zinc/66/22/80/570662280.db2.gz KCGXOGYVOQPYAQ-ZBINZKHDSA-N 0 0 377.579 4.792 50 0 GJAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)Cc1ccccc1 ZINC000012407932 570662635 /nfs/dbraw/zinc/66/26/35/570662635.db2.gz GSGPMTJSKVIHHA-UHFFFAOYSA-N 0 0 391.492 4.941 50 0 GJAARN CCc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1 ZINC000169760330 570663169 /nfs/dbraw/zinc/66/31/69/570663169.db2.gz SLLRJGPWVXLIQY-HXUWFJFHSA-N 0 0 381.863 4.623 50 0 GJAARN CN(CC[C@H]1CCCCO1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000012439201 570663497 /nfs/dbraw/zinc/66/34/97/570663497.db2.gz GYDZRPVFRUQFET-OAQYLSRUSA-N 0 0 391.515 4.641 50 0 GJAARN COc1ccccc1[C@@H](C)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012439378 570663504 /nfs/dbraw/zinc/66/35/04/570663504.db2.gz PSZYRADECBJLIM-CYBMUJFWSA-N 0 0 391.393 4.957 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC2)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 ZINC000169759749 570663745 /nfs/dbraw/zinc/66/37/45/570663745.db2.gz IWLVXHZWSHSEBP-OAQYLSRUSA-N 0 0 393.874 4.549 50 0 GJAARN CC(C)C(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000006871218 570664164 /nfs/dbraw/zinc/66/41/64/570664164.db2.gz SRFRTBRLQMODMX-GOSISDBHSA-N 0 0 388.870 4.657 50 0 GJAARN Clc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c(Cl)c1 ZINC000049547470 570664253 /nfs/dbraw/zinc/66/42/53/570664253.db2.gz OOEWQNNFGOVJAM-UHFFFAOYSA-N 0 0 382.320 4.536 50 0 GJAARN c1ccc(-c2ccc(-c3nn4c(CN5CCCCCC5)nnc4s3)cc2)cc1 ZINC000049548237 570664364 /nfs/dbraw/zinc/66/43/64/570664364.db2.gz DBUOHJZIWWZIEP-UHFFFAOYSA-N 0 0 389.528 4.896 50 0 GJAARN CC(C)(C)CC(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2cccnc2)=NO1 ZINC000006872483 570664423 /nfs/dbraw/zinc/66/44/23/570664423.db2.gz JSOMFDXEBPXGIY-SFHVURJKSA-N 0 0 399.922 4.693 50 0 GJAARN O=C1N=C(c2ccccc2)C(c2ccc3ccccc3n2)[C@H](c2ccccn2)N1 ZINC000005600585 570667155 /nfs/dbraw/zinc/66/71/55/570667155.db2.gz XWZKACZEXRUGNJ-QHCPKHFHSA-N 0 0 378.435 4.552 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3)C2)cc1Cl ZINC000065059123 570668440 /nfs/dbraw/zinc/66/84/40/570668440.db2.gz HJOWLPVJBGBJQG-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccccc3Cl)C2)cc1 ZINC000065059007 570668451 /nfs/dbraw/zinc/66/84/51/570668451.db2.gz JOJVHMMESIHVPR-QFIPXVFZSA-N 0 0 399.922 4.599 50 0 GJAARN O=C(CCNC(=O)Nc1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000006879171 570670173 /nfs/dbraw/zinc/67/01/73/570670173.db2.gz GFMYNYUPXFDQBY-UHFFFAOYSA-N 0 0 375.428 4.629 50 0 GJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000006880030 570670642 /nfs/dbraw/zinc/67/06/42/570670642.db2.gz PWMKMZZBFFJVPS-VIFPVBQESA-N 0 0 395.253 4.604 50 0 GJAARN Clc1ccccc1-c1noc(OCc2nn(-c3ccccc3)c3c2CCC3)n1 ZINC000060350467 570672554 /nfs/dbraw/zinc/67/25/54/570672554.db2.gz 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CCn1c(SCCOc2ccccc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000009327841 570775333 /nfs/dbraw/zinc/77/53/33/570775333.db2.gz CMDIOVITMNRVQS-UHFFFAOYSA-N 0 0 395.484 4.891 50 0 GJAARN Cc1ccccc1-c1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1 ZINC000009426750 570775359 /nfs/dbraw/zinc/77/53/59/570775359.db2.gz GVBHAMYIQRBEOE-UHFFFAOYSA-N 0 0 393.299 4.818 50 0 GJAARN CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCc1ccc(F)cc1 ZINC000009614943 570776611 /nfs/dbraw/zinc/77/66/11/570776611.db2.gz ZAAKOUQWKFPEQJ-UHFFFAOYSA-N 0 0 398.507 4.527 50 0 GJAARN COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1 ZINC000013712230 570777899 /nfs/dbraw/zinc/77/78/99/570777899.db2.gz ATUTWPPPTFUHHO-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN CC(C)c1nc2oc3c(ncn(Cc4ccc(Cl)cc4)c3=O)c2c2c1CCC2 ZINC000013721701 570780595 /nfs/dbraw/zinc/78/05/95/570780595.db2.gz GOKLMIJDLTYKFJ-UHFFFAOYSA-N 0 0 393.874 4.852 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)cc1 ZINC000013729005 570782841 /nfs/dbraw/zinc/78/28/41/570782841.db2.gz 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O=C(c1cc(-c2cccs2)on1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219523101 570810421 /nfs/dbraw/zinc/81/04/21/570810421.db2.gz GCPAGCYROWASIC-MRXNPFEDSA-N 0 0 376.528 4.785 50 0 GJAARN COc1cc([C@@H]2CC(=O)C3C=Nc4ccccc4N=C3C2)cc(OC)c1OC ZINC000018222962 570811499 /nfs/dbraw/zinc/81/14/99/570811499.db2.gz UVZGTBFHLGDZRS-ZDUSSCGKSA-N 0 0 378.428 4.891 50 0 GJAARN O=C(CSCc1nc(-c2ccccc2Cl)no1)Nc1cc(F)cc(F)c1 ZINC000032779121 570812108 /nfs/dbraw/zinc/81/21/08/570812108.db2.gz HFHQHHNUGPWEIL-UHFFFAOYSA-N 0 0 395.818 4.540 50 0 GJAARN Cc1occc1-c1nnc(SCCOc2ccc(Br)cc2)o1 ZINC000007194379 570813803 /nfs/dbraw/zinc/81/38/03/570813803.db2.gz QZWNVVBZNVZRAZ-UHFFFAOYSA-N 0 0 381.251 4.572 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 ZINC000052773092 570814271 /nfs/dbraw/zinc/81/42/71/570814271.db2.gz XUTYTPGDYZWQOH-IBGZPJMESA-N 0 0 380.488 4.608 50 0 GJAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1csc(Br)c1 ZINC000032789521 570814372 /nfs/dbraw/zinc/81/43/72/570814372.db2.gz 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CCOc1cc([C@@H]2CC(c3ccc(C)cc3)=Nc3ncnn32)ccc1OC(F)F ZINC000101641525 570827683 /nfs/dbraw/zinc/82/76/83/570827683.db2.gz JXCJNBKLGHDBDY-KRWDZBQOSA-N 0 0 398.413 4.643 50 0 GJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H]1c1cccs1 ZINC000007310031 570828282 /nfs/dbraw/zinc/82/82/82/570828282.db2.gz JFGAUSYTAVCJHW-LBPRGKRZSA-N 0 0 395.855 4.946 50 0 GJAARN C[C@@H]1CCC[C@@H](N(Cc2ccco2)C(=O)NCc2noc3ccccc32)[C@H]1C ZINC000239377970 570828779 /nfs/dbraw/zinc/82/87/79/570828779.db2.gz OHFHMGKFHLUNJS-GQIGUUNPSA-N 0 0 381.476 4.957 50 0 GJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000007318903 570829248 /nfs/dbraw/zinc/82/92/48/570829248.db2.gz CGWZKOUWSWVFKG-HSZRJFAPSA-N 0 0 397.478 4.721 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000012522944 570829657 /nfs/dbraw/zinc/82/96/57/570829657.db2.gz FSIWLGLTALGQKN-UHFFFAOYSA-N 0 0 389.499 4.521 50 0 GJAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2ccccc2F)s1 ZINC000032816430 570830025 /nfs/dbraw/zinc/83/00/25/570830025.db2.gz AGLURRTVFMXROZ-UHFFFAOYSA-N 0 0 394.471 4.833 50 0 GJAARN Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1F ZINC000012525478 570830910 /nfs/dbraw/zinc/83/09/10/570830910.db2.gz USTIXLXESNUWHR-UHFFFAOYSA-N 0 0 397.450 4.508 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccncc1 ZINC000012528319 570833152 /nfs/dbraw/zinc/83/31/52/570833152.db2.gz IBOIAFLXOZPADF-UHFFFAOYSA-N 0 0 376.456 4.928 50 0 GJAARN CCc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2)cc1 ZINC000033168917 570834153 /nfs/dbraw/zinc/83/41/53/570834153.db2.gz QINMALUCBPRVJM-UHFFFAOYSA-N 0 0 381.526 4.921 50 0 GJAARN COc1ccc(C)cc1-n1c(SCc2cc(C)on2)nnc1-c1cccs1 ZINC000007371209 570835138 /nfs/dbraw/zinc/83/51/38/570835138.db2.gz QZBQWZWTNGPIOD-UHFFFAOYSA-N 0 0 398.513 4.902 50 0 GJAARN CCn1c2ccccc2nc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1=O ZINC000033171718 570836181 /nfs/dbraw/zinc/83/61/81/570836181.db2.gz MEPWARJAPNVMEK-QGZVFWFLSA-N 0 0 397.478 4.574 50 0 GJAARN CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(C)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101835656 570836601 /nfs/dbraw/zinc/83/66/01/570836601.db2.gz CHPYUQHUGHCHAD-SFHVURJKSA-N 0 0 393.878 4.644 50 0 GJAARN O=C(N=c1[nH]c2ccccc2s1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012537299 570836628 /nfs/dbraw/zinc/83/66/28/570836628.db2.gz ZIVGMXSCIMPRRW-UHFFFAOYSA-N 0 0 382.448 4.581 50 0 GJAARN O=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012537066 570836778 /nfs/dbraw/zinc/83/67/78/570836778.db2.gz CRPMDUDBODAOHE-UHFFFAOYSA-N 0 0 384.442 4.841 50 0 GJAARN O=C(CSc1ncnc2c3ccccc3[nH]c21)Nc1ccc(Cl)cc1F ZINC000033172415 570837119 /nfs/dbraw/zinc/83/71/19/570837119.db2.gz TUVUXAFZHROPAN-UHFFFAOYSA-N 0 0 386.839 4.634 50 0 GJAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(C)cc1)=N2 ZINC000101836328 570837200 /nfs/dbraw/zinc/83/72/00/570837200.db2.gz RKIGKTVOBHAFIG-LJQANCHMSA-N 0 0 391.450 4.520 50 0 GJAARN O=C(N[C@H]1CCSc2ccccc21)c1cnn(Cc2ccccc2Cl)c1 ZINC000014246834 570837354 /nfs/dbraw/zinc/83/73/54/570837354.db2.gz 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CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccnc3)C2)cc1 ZINC000102402297 570848413 /nfs/dbraw/zinc/84/84/13/570848413.db2.gz YFDKDMBEMLIUAD-PGRDOPGGSA-N 0 0 385.471 4.862 50 0 GJAARN CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000007487772 570851014 /nfs/dbraw/zinc/85/10/14/570851014.db2.gz HZRUZZQSVCWHMA-UHFFFAOYSA-N 0 0 395.915 4.937 50 0 GJAARN Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012550139 570851659 /nfs/dbraw/zinc/85/16/59/570851659.db2.gz KQYMFTNNRUMXTE-GOSISDBHSA-N 0 0 377.488 4.560 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012550449 570854089 /nfs/dbraw/zinc/85/40/89/570854089.db2.gz ALSNRYOCOASWFH-UHFFFAOYSA-N 0 0 377.831 4.819 50 0 GJAARN O=C(NCc1ccccc1)c1ccccc1NCc1cn2cc(Cl)ccc2n1 ZINC000012550435 570854171 /nfs/dbraw/zinc/85/41/71/570854171.db2.gz BFVAQVRRVPUUMM-UHFFFAOYSA-N 0 0 390.874 4.530 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccc2)cc1 ZINC000004709667 570855028 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COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccs3)C2)cc1 ZINC000102751891 570861845 /nfs/dbraw/zinc/86/18/45/570861845.db2.gz JHSVPQOMIMATBU-SGTLLEGYSA-N 0 0 394.456 4.769 50 0 GJAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(Br)cc3)cc2)no1 ZINC000033257288 570863778 /nfs/dbraw/zinc/86/37/78/570863778.db2.gz OBASCNYGMQJWRO-UHFFFAOYSA-N 0 0 387.237 4.706 50 0 GJAARN COc1cc(Cl)ccc1-c1nc(-c2cccc(C(=O)N3CCCCC3)c2)no1 ZINC000033257853 570864335 /nfs/dbraw/zinc/86/43/35/570864335.db2.gz CKVLVIKSRZXNSW-UHFFFAOYSA-N 0 0 397.862 4.692 50 0 GJAARN C[C@@H]1CCCCN1C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000003400910 570864810 /nfs/dbraw/zinc/86/48/10/570864810.db2.gz WYSHZIBJEHTXBM-LLVKDONJSA-N 0 0 399.994 4.810 50 0 GJAARN CC(C)CCNC(=O)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260961 570865954 /nfs/dbraw/zinc/86/59/54/570865954.db2.gz TXSPDXANAZBDKA-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000004551110 570867425 /nfs/dbraw/zinc/86/74/25/570867425.db2.gz IBLLWQCIGYXBTM-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1ccc(Oc2ccc(N(C)C(=O)c3ccccc3C(F)(F)F)cc2)nn1 ZINC000044213775 570871113 /nfs/dbraw/zinc/87/11/13/570871113.db2.gz GUIPEDGQSPWWJI-UHFFFAOYSA-N 0 0 387.361 4.873 50 0 GJAARN O=C(Nc1nnc(-c2cccs2)o1)NC(c1ccccc1)c1ccccc1 ZINC000044224880 570871597 /nfs/dbraw/zinc/87/15/97/570871597.db2.gz NPUUYAHBQDOXKG-UHFFFAOYSA-N 0 0 376.441 4.709 50 0 GJAARN COc1ccc(-c2noc(CN3CCCCC[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000012567906 570871665 /nfs/dbraw/zinc/87/16/65/570871665.db2.gz ILPLSZXXZPMYJX-NRFANRHFSA-N 0 0 393.487 4.871 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(Oc2ncccn2)c1 ZINC000044243914 570872885 /nfs/dbraw/zinc/87/28/85/570872885.db2.gz IGLGEWPXDDMGET-QGZVFWFLSA-N 0 0 380.473 4.872 50 0 GJAARN CC[C@H](C(=O)O[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 ZINC000012569409 570873457 /nfs/dbraw/zinc/87/34/57/570873457.db2.gz OJZZKFGVEUBSJK-MAUKXSAKSA-N 0 0 380.362 4.798 50 0 GJAARN CCc1nc(CCNc2nn3cc(-c4ccc(F)cc4)nc3s2)sc1C ZINC000170616616 570874232 /nfs/dbraw/zinc/87/42/32/570874232.db2.gz MWJVNGQBEYAIEV-UHFFFAOYSA-N 0 0 387.509 4.579 50 0 GJAARN CCOc1cc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)ccc1O ZINC000015074384 570878444 /nfs/dbraw/zinc/87/84/44/570878444.db2.gz XKVRYXGQUJQGQB-KRWDZBQOSA-N 0 0 385.529 4.608 50 0 GJAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1 ZINC000033262444 570878685 /nfs/dbraw/zinc/87/86/85/570878685.db2.gz JFCRKBAVUYASNQ-UHFFFAOYSA-N 0 0 378.432 4.933 50 0 GJAARN CC(=O)c1cccc(NC(=O)N2CCC[C@](CO)(CCCc3ccccc3)C2)c1 ZINC000015077263 570879077 /nfs/dbraw/zinc/87/90/77/570879077.db2.gz SGLMZRKITOFGFI-XMMPIXPASA-N 0 0 394.515 4.519 50 0 GJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCC2)cc1Cl ZINC000033263782 570879120 /nfs/dbraw/zinc/87/91/20/570879120.db2.gz NWGRXAOODNKSCV-UHFFFAOYSA-N 0 0 397.910 4.872 50 0 GJAARN CC1(C)OC(c2cccc(OCc3cc(=O)[nH]c4ccccc34)c2)OC1(C)C ZINC000015108856 570881573 /nfs/dbraw/zinc/88/15/73/570881573.db2.gz VJVVOPAPYJMART-UHFFFAOYSA-N 0 0 379.456 4.710 50 0 GJAARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2Cl)cs1 ZINC000012587752 570882670 /nfs/dbraw/zinc/88/26/70/570882670.db2.gz BNRLLZGVJUMKGL-UHFFFAOYSA-N 0 0 383.904 4.773 50 0 GJAARN COc1cccc(N[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1 ZINC000012597491 570885100 /nfs/dbraw/zinc/88/51/00/570885100.db2.gz AUOZWLRMGMKFES-NSHDSACASA-N 0 0 383.498 4.895 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(O)c(Br)c2)N1Cc1ccco1 ZINC000015248789 570886242 /nfs/dbraw/zinc/88/62/42/570886242.db2.gz XYJFZNJADDUGJS-SFHVURJKSA-N 0 0 399.244 4.514 50 0 GJAARN CCCn1ccnc1SCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000011234404 570886552 /nfs/dbraw/zinc/88/65/52/570886552.db2.gz XFJHUEFXYCGFSO-LJQANCHMSA-N 0 0 393.512 4.552 50 0 GJAARN COc1ccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCCC2)cc1 ZINC000004565500 570887534 /nfs/dbraw/zinc/88/75/34/570887534.db2.gz NEVDURFZVWMLIN-UHFFFAOYSA-N 0 0 383.883 4.596 50 0 GJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000012604446 570888306 /nfs/dbraw/zinc/88/83/06/570888306.db2.gz BYNUALWRXCCGPJ-HNNXBMFYSA-N 0 0 377.469 4.777 50 0 GJAARN O=C(COc1ccc(Cl)cc1Br)N1CCC[C@H]1c1ccccc1 ZINC000009955839 570889756 /nfs/dbraw/zinc/88/97/56/570889756.db2.gz FNXUOHYGMWVVDT-INIZCTEOSA-N 0 0 394.696 4.845 50 0 GJAARN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000004563875 570890956 /nfs/dbraw/zinc/89/09/56/570890956.db2.gz VNRAWNWHHUQAEQ-ZEQRLZLVSA-N 0 0 396.490 4.725 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000071818886 570893903 /nfs/dbraw/zinc/89/39/03/570893903.db2.gz NPPNKHGVWDSTIB-MRXNPFEDSA-N 0 0 388.537 4.993 50 0 GJAARN O=C(c1ccccc1SC(F)F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000032899609 570895256 /nfs/dbraw/zinc/89/52/56/570895256.db2.gz QHHMUOPWUCGXFI-CYBMUJFWSA-N 0 0 387.455 4.897 50 0 GJAARN CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000013330173 570895422 /nfs/dbraw/zinc/89/54/22/570895422.db2.gz GYNPUAXIHYJDBR-HNNXBMFYSA-N 0 0 388.714 4.532 50 0 GJAARN CSc1cccc(NC(=O)Nc2ccc(N3CCCCC3)c3nonc32)c1 ZINC000013328487 570895434 /nfs/dbraw/zinc/89/54/34/570895434.db2.gz NTAPOSRAMRKNAF-UHFFFAOYSA-N 0 0 383.477 4.579 50 0 GJAARN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000013325487 570895511 /nfs/dbraw/zinc/89/55/11/570895511.db2.gz JDXAIVPUODJALM-UHFFFAOYSA-N 0 0 389.908 4.928 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000013331494 570895813 /nfs/dbraw/zinc/89/58/13/570895813.db2.gz ZUMGXOFFRJAYNQ-UHFFFAOYSA-N 0 0 378.476 4.899 50 0 GJAARN O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccc(Cl)cn1 ZINC000096318431 570896407 /nfs/dbraw/zinc/89/64/07/570896407.db2.gz NQKCDALDKZJXLU-UHFFFAOYSA-N 0 0 392.821 4.979 50 0 GJAARN O=C(c1cc2cn(C3CC3)cc2s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000097123234 570897528 /nfs/dbraw/zinc/89/75/28/570897528.db2.gz HXTPRAPZAYHZPO-UHFFFAOYSA-N 0 0 385.920 4.654 50 0 GJAARN Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 ZINC000104271234 570899082 /nfs/dbraw/zinc/89/90/82/570899082.db2.gz QIHKFWSIHMQQLG-IVMMDQJWSA-N 0 0 378.494 4.734 50 0 GJAARN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OC(C)(C)C)cc1 ZINC000097143463 570899261 /nfs/dbraw/zinc/89/92/61/570899261.db2.gz LUBZERGYXDEYDJ-HTAPYJJXSA-N 0 0 396.531 4.832 50 0 GJAARN Cc1cccc(NC(=O)Nc2ccc3nc(C)n(-c4ccccc4)c(=O)c3c2)c1C ZINC000022497510 570899659 /nfs/dbraw/zinc/89/96/59/570899659.db2.gz OHTAKNUYHAEFFI-UHFFFAOYSA-N 0 0 398.466 4.955 50 0 GJAARN CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2ccccc2o1 ZINC000015018952 570901146 /nfs/dbraw/zinc/90/11/46/570901146.db2.gz BTWPCCLMYBCNJT-UHFFFAOYSA-N 0 0 396.447 4.581 50 0 GJAARN O=C(CSc1nnc(C2CCCC2)[nH]1)Nc1ccc(SC(F)F)cc1 ZINC000014805523 570901611 /nfs/dbraw/zinc/90/16/11/570901611.db2.gz MLNFLSZBMDRTJY-UHFFFAOYSA-N 0 0 384.477 4.508 50 0 GJAARN O=C(CCC(=O)c1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000032904193 570901888 /nfs/dbraw/zinc/90/18/88/570901888.db2.gz YRCUDOJOQOHQOF-UHFFFAOYSA-N 0 0 387.439 4.932 50 0 GJAARN C[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000015694232 570901914 /nfs/dbraw/zinc/90/19/14/570901914.db2.gz AQPPLHZTKKAMIU-NSHDSACASA-N 0 0 396.231 4.568 50 0 GJAARN O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000169754605 570904698 /nfs/dbraw/zinc/90/46/98/570904698.db2.gz HWHSVDKJASESLQ-INIZCTEOSA-N 0 0 389.789 4.646 50 0 GJAARN CC(=O)c1ccc(NC(=O)CSc2nccc(-c3ccc(C)c(C)c3)n2)cc1 ZINC000015829371 570905858 /nfs/dbraw/zinc/90/58/58/570905858.db2.gz LSCIVXLDOYHSPX-UHFFFAOYSA-N 0 0 391.496 4.694 50 0 GJAARN COc1ccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)cc1 ZINC000015840451 570906248 /nfs/dbraw/zinc/90/62/48/570906248.db2.gz MYNCOEIGTINCFH-UHFFFAOYSA-N 0 0 398.915 4.676 50 0 GJAARN COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccccc2)cc1 ZINC000014609678 570906517 /nfs/dbraw/zinc/90/65/17/570906517.db2.gz FHGZFTHDCDMSSK-UHFFFAOYSA-N 0 0 398.466 4.812 50 0 GJAARN Cc1cc2oc(=O)c3c(c2c2c1[C@H](c1ccc4ncccc4c1)CC(=O)O2)CCC3 ZINC000263585090 570907919 /nfs/dbraw/zinc/90/79/19/570907919.db2.gz DYNVEVFTRSXYOO-SFHVURJKSA-N 0 0 397.430 4.579 50 0 biogenic GJAARN COc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089669208 570908887 /nfs/dbraw/zinc/90/88/87/570908887.db2.gz RBVANDGHAFNVOB-NRFANRHFSA-N 0 0 393.874 4.903 50 0 GJAARN COc1ccc(-c2nn3c(nc(C)cc3NC3CCCCC3)c2C)cc1OC ZINC000023118874 570909584 /nfs/dbraw/zinc/90/95/84/570909584.db2.gz FETGPKFQMWAGTK-UHFFFAOYSA-N 0 0 380.492 4.775 50 0 GJAARN COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1OC ZINC000015963017 570910222 /nfs/dbraw/zinc/91/02/22/570910222.db2.gz PRZFTCHRHWENRS-UHFFFAOYSA-N 0 0 375.468 4.589 50 0 GJAARN COC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000014675180 570910220 /nfs/dbraw/zinc/91/02/20/570910220.db2.gz HVOLYJFTLLIPND-CYBMUJFWSA-N 0 0 376.474 4.717 50 0 GJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccc(O)cc2)N1 ZINC000015974560 570910317 /nfs/dbraw/zinc/91/03/17/570910317.db2.gz ITMSJXGZYSYOEK-NRFANRHFSA-N 0 0 399.475 4.924 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000015980783 570910632 /nfs/dbraw/zinc/91/06/32/570910632.db2.gz CIIRAIBDFJUEEJ-QGZVFWFLSA-N 0 0 379.529 4.909 50 0 GJAARN Cn1c2ccc(NC(=O)c3ccc(CSC(F)F)o3)cc2nc1C1CC1 ZINC000089745629 570911086 /nfs/dbraw/zinc/91/10/86/570911086.db2.gz ZJGUEBVTTLRCNC-UHFFFAOYSA-N 0 0 377.416 4.752 50 0 GJAARN O=C(CSc1nc2ccccc2s1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000016110442 570914137 /nfs/dbraw/zinc/91/41/37/570914137.db2.gz GMJRUTOEIAMXQV-CYBMUJFWSA-N 0 0 390.530 4.881 50 0 GJAARN Cc1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cnn1-c1ccncc1 ZINC000097022404 570914851 /nfs/dbraw/zinc/91/48/51/570914851.db2.gz QAFLKQSAXHNNJG-UHFFFAOYSA-N 0 0 395.875 4.605 50 0 GJAARN O=C(c1cccnc1-c1cccc(OCc2ccccc2F)c1)N1CCCC1 ZINC000534656637 570915883 /nfs/dbraw/zinc/91/58/83/570915883.db2.gz RDIODAVDLVSPND-UHFFFAOYSA-N 0 0 376.431 4.703 50 0 GJAARN Cc1ccccc1C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C ZINC000004585385 570916868 /nfs/dbraw/zinc/91/68/68/570916868.db2.gz UQDODVXFCSXLKS-UHFFFAOYSA-N 0 0 383.451 4.563 50 0 GJAARN O=C(Nc1ccc(Br)cc1)c1cccc(OCc2cscn2)c1 ZINC000016202833 570917245 /nfs/dbraw/zinc/91/72/45/570917245.db2.gz RWOLTCULDVFJLE-UHFFFAOYSA-N 0 0 389.274 4.737 50 0 GJAARN COc1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1O ZINC000263586178 570918111 /nfs/dbraw/zinc/91/81/11/570918111.db2.gz QXFQTVMULLQMBI-GOSISDBHSA-N 0 0 398.462 4.878 50 0 biogenic GJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(Cl)(Cl)Cl ZINC000016226989 570918480 /nfs/dbraw/zinc/91/84/80/570918480.db2.gz RLXAVZYFYQMXDV-UHFFFAOYSA-N 0 0 385.634 4.812 50 0 GJAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 ZINC000023142941 570918499 /nfs/dbraw/zinc/91/84/99/570918499.db2.gz KCQOECQMDFWOJE-CQSZACIVSA-N 0 0 398.919 4.714 50 0 GJAARN CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c1 ZINC000089905238 570919074 /nfs/dbraw/zinc/91/90/74/570919074.db2.gz UECPKRVVCLUCDU-OXQOHEQNSA-N 0 0 382.504 4.626 50 0 GJAARN O=C(Nc1ccccc1F)c1ccc([C@@H]2CCCN2Cc2cccnc2)s1 ZINC000023145283 570919874 /nfs/dbraw/zinc/91/98/74/570919874.db2.gz JGFPROYHWGDWCM-SFHVURJKSA-N 0 0 381.476 4.872 50 0 GJAARN Cc1ccc(C2=C[C@@H](c3ccc(Br)cc3)N3C(=O)CSC3=N2)cc1 ZINC000051329798 570923183 /nfs/dbraw/zinc/92/31/83/570923183.db2.gz OLAXTDPFLLUUKU-KRWDZBQOSA-N 0 0 399.313 4.785 50 0 GJAARN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(-c2ccccn2)c1C ZINC000122351585 570923473 /nfs/dbraw/zinc/92/34/73/570923473.db2.gz UEYIJBYQYKERSW-KRWDZBQOSA-N 0 0 384.483 4.918 50 0 GJAARN COc1ccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)c(Cl)c1 ZINC000004589690 570924727 /nfs/dbraw/zinc/92/47/27/570924727.db2.gz BGGQXQIPEJPFAA-CHHVJCJISA-N 0 0 382.630 5.000 50 0 GJAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc(OCc3cccs3)c2)c1 ZINC000032914473 570924973 /nfs/dbraw/zinc/92/49/73/570924973.db2.gz BQJNJKLDLLNKPE-OAHLLOKOSA-N 0 0 394.496 4.777 50 0 GJAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)C1CC1 ZINC000004071742 570929114 /nfs/dbraw/zinc/92/91/14/570929114.db2.gz NDJRYTQCAVJNDH-UHFFFAOYSA-N 0 0 378.653 4.682 50 0 GJAARN CC(C)(C)[C@H]1CCc2c(sc3ncn(CCOc4ccccc4)c(=O)c32)C1 ZINC000000935974 570930367 /nfs/dbraw/zinc/93/03/67/570930367.db2.gz DOINIWOWIZYNEP-HNNXBMFYSA-N 0 0 382.529 4.688 50 0 GJAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccc(Br)cc1 ZINC000004078498 570930650 /nfs/dbraw/zinc/93/06/50/570930650.db2.gz ZEBLPMWQWPZKKG-QGZVFWFLSA-N 0 0 387.277 4.545 50 0 GJAARN CN(C(=O)c1ccc(Cl)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078435 570930695 /nfs/dbraw/zinc/93/06/95/570930695.db2.gz KNMAMIQPHCRRKM-UHFFFAOYSA-N 0 0 387.936 4.936 50 0 GJAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000004854465 570932538 /nfs/dbraw/zinc/93/25/38/570932538.db2.gz YZZSZSAMDXJORL-HXUWFJFHSA-N 0 0 381.863 4.787 50 0 GJAARN O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1ccccc1Cl ZINC000001852771 570932762 /nfs/dbraw/zinc/93/27/62/570932762.db2.gz NMGWHNLXERMXNJ-UHFFFAOYSA-N 0 0 395.842 4.638 50 0 GJAARN CSc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000016832773 570934052 /nfs/dbraw/zinc/93/40/52/570934052.db2.gz DDKFJYQNFOIFRF-OAHLLOKOSA-N 0 0 388.920 4.553 50 0 GJAARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@]1(CCOC1)O2 ZINC000015415180 570934465 /nfs/dbraw/zinc/93/44/65/570934465.db2.gz QETHKRDIJLVIMV-LDDHNZGVSA-N 0 0 378.553 4.699 50 0 biogenic GJAARN O=C(c1nc(Cl)ccc1Cl)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000032922929 570934767 /nfs/dbraw/zinc/93/47/67/570934767.db2.gz AOLVLHGWTMHTEL-UHFFFAOYSA-N 0 0 391.176 4.880 50 0 GJAARN O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1ccc(Cl)cc1 ZINC000004251220 570935229 /nfs/dbraw/zinc/93/52/29/570935229.db2.gz VEVMQUCPPLJKPV-UHFFFAOYSA-N 0 0 394.887 4.781 50 0 GJAARN Cc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1C(=O)N1CCCC1 ZINC000046909761 570935678 /nfs/dbraw/zinc/93/56/78/570935678.db2.gz NOHUWMUWFZOYPR-UHFFFAOYSA-N 0 0 377.271 4.790 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)nc2ccccc21)Nc1ccccc1O ZINC000004130339 570937080 /nfs/dbraw/zinc/93/70/80/570937080.db2.gz XIIZEPYIQWSQNA-UHFFFAOYSA-N 0 0 387.464 4.733 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 ZINC000017051582 570938091 /nfs/dbraw/zinc/93/80/91/570938091.db2.gz BXHLXUIIKKJCDW-UHFFFAOYSA-N 0 0 388.496 4.744 50 0 GJAARN CCO[C@H]1C[C@@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C12CCC2 ZINC000170638761 570939692 /nfs/dbraw/zinc/93/96/92/570939692.db2.gz QWOLFGKVXQVPTO-KGLIPLIRSA-N 0 0 398.450 4.701 50 0 GJAARN CCc1ccc(NC(=S)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC000017081044 570941304 /nfs/dbraw/zinc/94/13/04/570941304.db2.gz IRCCLJCAOKCAAE-UHFFFAOYSA-N 0 0 396.482 4.718 50 0 GJAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(CC)cc3)cc2s1 ZINC000017081305 570941318 /nfs/dbraw/zinc/94/13/18/570941318.db2.gz GXXNQEFZWRFHPC-UHFFFAOYSA-N 0 0 397.500 4.615 50 0 GJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@H](C)CCc1ccccc1 ZINC000017155877 570942230 /nfs/dbraw/zinc/94/22/30/570942230.db2.gz OKQNKCGAWJXKMB-MRXNPFEDSA-N 0 0 376.504 4.641 50 0 GJAARN Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1N1CCCC1=O ZINC000005440016 570947008 /nfs/dbraw/zinc/94/70/08/570947008.db2.gz LPYNYAZJLRZBBM-UHFFFAOYSA-N 0 0 384.479 4.970 50 0 GJAARN CCOc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 ZINC000032935067 570947222 /nfs/dbraw/zinc/94/72/22/570947222.db2.gz UJUMSGNEQRGXPK-LJQANCHMSA-N 0 0 387.277 4.545 50 0 GJAARN CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)(C)C)cc1 ZINC000004732499 570947538 /nfs/dbraw/zinc/94/75/38/570947538.db2.gz KJQONNXQCLLZLL-UHFFFAOYSA-N 0 0 377.492 4.762 50 0 GJAARN COc1cc(-c2nc3sccn3c2Nc2ccc(OC)c(OC)c2)ccc1O ZINC000004734360 570948771 /nfs/dbraw/zinc/94/87/71/570948771.db2.gz PRNHIEYFUZOCKN-UHFFFAOYSA-N 0 0 397.456 4.538 50 0 GJAARN Cc1ccn2cc(C(=O)Nc3ccc(-c4cn5cccc(C)c5n4)cc3)nc2c1 ZINC000032937118 570948767 /nfs/dbraw/zinc/94/87/67/570948767.db2.gz ZUEDNFQNRDUUEY-UHFFFAOYSA-N 0 0 381.439 4.518 50 0 GJAARN O=C(c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)N1CCc2ccccc21 ZINC000033278951 570953311 /nfs/dbraw/zinc/95/33/11/570953311.db2.gz DZBCMNOGYBMRNG-UHFFFAOYSA-N 0 0 385.398 4.746 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033278916 570953380 /nfs/dbraw/zinc/95/33/80/570953380.db2.gz YRPPLEPBASVZFR-UHFFFAOYSA-N 0 0 398.422 4.614 50 0 GJAARN COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(OC(F)F)c1 ZINC000003270663 570956113 /nfs/dbraw/zinc/95/61/13/570956113.db2.gz IEERVQOIXSDBJX-RMKNXTFCSA-N 0 0 398.203 4.711 50 0 GJAARN COc1ccccc1NC(=O)CSc1nccnc1Sc1ccccc1C ZINC000033289001 570956463 /nfs/dbraw/zinc/95/64/63/570956463.db2.gz XJYLERHWZOSGKQ-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN O=C(/C=C/c1c(Cl)nc2sccn12)NC(c1ccccc1)c1ccccc1 ZINC000003328108 570957229 /nfs/dbraw/zinc/95/72/29/570957229.db2.gz OKJNOZGEKQIQHK-VAWYXSNFSA-N 0 0 393.899 4.968 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290457 570958295 /nfs/dbraw/zinc/95/82/95/570958295.db2.gz QQHNJOSLTWIQIF-MRXNPFEDSA-N 0 0 386.455 4.540 50 0 GJAARN C[C@@H](Sc1nnc(C2CCCC2)[nH]1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012103929 570959026 /nfs/dbraw/zinc/95/90/26/570959026.db2.gz DJTXNEIPPHOUPB-SNVBAGLBSA-N 0 0 384.427 4.600 50 0 GJAARN CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252461151 570960364 /nfs/dbraw/zinc/96/03/64/570960364.db2.gz KZRHTEGJCHXUCF-VAMGGRTRSA-N 0 0 397.563 4.534 50 0 GJAARN CC(C)CCC[C@H](C)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252461150 570960445 /nfs/dbraw/zinc/96/04/45/570960445.db2.gz KZRHTEGJCHXUCF-UFYCRDLUSA-N 0 0 397.563 4.534 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)c(C)s2)n1 ZINC000033290014 570960821 /nfs/dbraw/zinc/96/08/21/570960821.db2.gz IXDGFGFONNYFMM-UHFFFAOYSA-N 0 0 392.571 4.930 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)NC[C@@H](C)c3ccccc3)c(C)s2)n1 ZINC000033289988 570960886 /nfs/dbraw/zinc/96/08/86/570960886.db2.gz NJZSJRBDSOBRCC-GFCCVEGCSA-N 0 0 392.571 4.570 50 0 GJAARN O=C(c1ccc(F)c(Cl)c1)N1CCC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000033290231 570961295 /nfs/dbraw/zinc/96/12/95/570961295.db2.gz DYPNVQIZSJDZFU-HNNXBMFYSA-N 0 0 385.826 4.549 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2s1 ZINC000033298809 570962455 /nfs/dbraw/zinc/96/24/55/570962455.db2.gz PSWWECNFJIMFDS-UHFFFAOYSA-N 0 0 390.555 4.698 50 0 GJAARN FC(F)(F)c1cc(NCc2csc(C3CC3)n2)nc(-c2ccncc2)n1 ZINC000170642881 570964040 /nfs/dbraw/zinc/96/40/40/570964040.db2.gz FIERRCNMJFVXHR-UHFFFAOYSA-N 0 0 377.395 4.503 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000012225487 570968082 /nfs/dbraw/zinc/96/80/82/570968082.db2.gz SRBYGAYVPXBQQC-UHFFFAOYSA-N 0 0 396.878 4.762 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)nc(C)n1 ZINC000012225857 570968357 /nfs/dbraw/zinc/96/83/57/570968357.db2.gz UTRYBSQDBBLLLD-UHFFFAOYSA-N 0 0 377.448 4.880 50 0 GJAARN Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)cc2)n1 ZINC000252488411 570970445 /nfs/dbraw/zinc/97/04/45/570970445.db2.gz IRKDYHDVNFBDTF-HNNXBMFYSA-N 0 0 394.397 4.772 50 0 GJAARN O=C(c1cc(-c2ccco2)on1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000211145846 570970513 /nfs/dbraw/zinc/97/05/13/570970513.db2.gz MEHAWOMJMSDMRE-SFHVURJKSA-N 0 0 388.876 4.908 50 0 GJAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1cccc(F)c1 ZINC000033312646 570971322 /nfs/dbraw/zinc/97/13/22/570971322.db2.gz VSHOEOKLSFPUGF-UHFFFAOYSA-N 0 0 384.480 4.772 50 0 GJAARN CSc1cccc(NC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)c1 ZINC000033312954 570972248 /nfs/dbraw/zinc/97/22/48/570972248.db2.gz DUNPUHVXVIYWPF-UHFFFAOYSA-N 0 0 390.512 4.718 50 0 GJAARN Cc1cc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)no1 ZINC000012728549 570972898 /nfs/dbraw/zinc/97/28/98/570972898.db2.gz MVSIDEJXEMQBNP-UHFFFAOYSA-N 0 0 380.448 4.721 50 0 GJAARN O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000019315353 570974127 /nfs/dbraw/zinc/97/41/27/570974127.db2.gz YVVIJIRSJXEXBB-CQSZACIVSA-N 0 0 384.134 4.642 50 0 GJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000083865535 570974210 /nfs/dbraw/zinc/97/42/10/570974210.db2.gz XELGGFDNNUULMI-KRWDZBQOSA-N 0 0 396.384 4.900 50 0 GJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCS[C@H](c2ccccc2)CC1 ZINC000208041770 570974265 /nfs/dbraw/zinc/97/42/65/570974265.db2.gz UEEJJBSDYPAABZ-KRWDZBQOSA-N 0 0 381.419 4.906 50 0 GJAARN COC(=O)N(C)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 ZINC000083869365 570974741 /nfs/dbraw/zinc/97/47/41/570974741.db2.gz DPIHIFRQSJBUAC-UHFFFAOYSA-N 0 0 392.480 4.969 50 0 GJAARN CC(c1ccc(OC#N)cc1)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1 ZINC000015440416 570975448 /nfs/dbraw/zinc/97/54/48/570975448.db2.gz AWWJTNMLTCVUBS-UHFFFAOYSA-N 0 0 381.391 4.621 50 0 GJAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000252497273 570975666 /nfs/dbraw/zinc/97/56/66/570975666.db2.gz QCUNOVHPMGGZNB-JOCHJYFZSA-N 0 0 394.471 4.674 50 0 GJAARN O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccccc1Br ZINC000585146741 570976305 /nfs/dbraw/zinc/97/63/05/570976305.db2.gz KFMDVJDDRCEPIC-ZDUSSCGKSA-N 0 0 376.275 4.666 50 0 GJAARN Cc1nccc(OC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)n1 ZINC000585147005 570977167 /nfs/dbraw/zinc/97/71/67/570977167.db2.gz JXIPSMOXDLHRMR-UHFFFAOYSA-N 0 0 388.471 4.587 50 0 GJAARN NC(=O)c1ccc(NCc2ccc(-c3ccccc3Br)cc2)cc1F ZINC000252501279 570977834 /nfs/dbraw/zinc/97/78/34/570977834.db2.gz UDHOEKRWPXBHLL-UHFFFAOYSA-N 0 0 399.263 4.966 50 0 GJAARN COc1ccc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1OC ZINC000012738092 570979639 /nfs/dbraw/zinc/97/96/39/570979639.db2.gz FGWWCLPGNCUVAI-UHFFFAOYSA-N 0 0 375.468 4.788 50 0 GJAARN Cc1ccccc1-c1nc2nc(C)c(CC(=O)Nc3c(C)cccc3C)c(C)n2n1 ZINC000086069801 570980475 /nfs/dbraw/zinc/98/04/75/570980475.db2.gz CXESBFXSEVNJLK-UHFFFAOYSA-N 0 0 399.498 4.515 50 0 GJAARN CCSc1ccccc1C(=O)NC[C@@H](c1cccs1)n1nc(C)cc1C ZINC000585148118 570981448 /nfs/dbraw/zinc/98/14/48/570981448.db2.gz LDLYBIAVHLHSSS-KRWDZBQOSA-N 0 0 385.558 4.693 50 0 GJAARN Cc1nc(C(=O)Nc2ccc(Cl)cc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000001401492 570982314 /nfs/dbraw/zinc/98/23/14/570982314.db2.gz QDGBUXWPPKAOLG-UHFFFAOYSA-N 0 0 380.757 4.500 50 0 GJAARN O=C(CCc1ccc(F)c(Cl)c1)N[C@@H](c1cccs1)C1CCOCC1 ZINC000585149465 570983108 /nfs/dbraw/zinc/98/31/08/570983108.db2.gz UUYQDTCFUCDUPQ-LJQANCHMSA-N 0 0 381.900 4.757 50 0 GJAARN Cc1nc(C)c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)o1 ZINC000170647331 570984389 /nfs/dbraw/zinc/98/43/89/570984389.db2.gz OBBLOZJUYNWCDU-KRWDZBQOSA-N 0 0 393.874 4.988 50 0 GJAARN Cc1cccn2cc(-c3ccc(NC(=O)c4cc(C(C)(C)C)nn4C)cc3)nc12 ZINC000170650707 570985740 /nfs/dbraw/zinc/98/57/40/570985740.db2.gz YEGHNPVWJKKLHB-UHFFFAOYSA-N 0 0 387.487 4.593 50 0 GJAARN Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033331349 570987508 /nfs/dbraw/zinc/98/75/08/570987508.db2.gz XQALSWDTSUOYLE-UHFFFAOYSA-N 0 0 394.431 4.868 50 0 GJAARN COc1ccc(Br)cc1CN[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000098081541 570991451 /nfs/dbraw/zinc/99/14/51/570991451.db2.gz WCTCPXLQBHKBSC-SFHVURJKSA-N 0 0 388.309 4.821 50 0 GJAARN O=C(NCC1CCCCCCC1)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000252537782 570991973 /nfs/dbraw/zinc/99/19/73/570991973.db2.gz MIAOUJLGBAMRTJ-UHFFFAOYSA-N 0 0 395.547 4.634 50 0 GJAARN N=c1sc(C(c2ccccc2)c2ccccc2)nn1CC(=O)c1cccs1 ZINC000004672544 570992227 /nfs/dbraw/zinc/99/22/27/570992227.db2.gz TYBXUIXJEDWGBF-UHFFFAOYSA-N 0 0 391.521 4.549 50 0 GJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)[C@H]1C ZINC000108858658 570992513 /nfs/dbraw/zinc/99/25/13/570992513.db2.gz VJYHHKMHISXAIU-GJYPPUQNSA-N 0 0 391.939 4.636 50 0 GJAARN Cc1noc(C2CCN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CC2)n1 ZINC000054663949 570993630 /nfs/dbraw/zinc/99/36/30/570993630.db2.gz ROPRITDRPFGNPG-UHFFFAOYSA-N 0 0 381.476 4.505 50 0 GJAARN COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OC(F)F ZINC000007609286 570998469 /nfs/dbraw/zinc/99/84/69/570998469.db2.gz MRUIVELTDOZYBK-UHFFFAOYSA-N 0 0 376.384 4.672 50 0 GJAARN COc1ccccc1NC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000045896347 570998758 /nfs/dbraw/zinc/99/87/58/570998758.db2.gz VCAADRVPKUBXRC-UHFFFAOYSA-N 0 0 393.443 4.800 50 0 GJAARN CC(=O)Oc1cc2c(cc1Br)[C@H]1CC[C@@]3(C)C(=O)CC[C@H]3[C@H]1CC2 ZINC000001425514 570999800 /nfs/dbraw/zinc/99/98/00/570999800.db2.gz IGZVPNAJLMAGND-JZJQHEAOSA-N 0 0 391.305 4.800 50 0 GJAARN Cc1cc(-c2noc(COc3c(F)c(F)cc(F)c3F)n2)c2ccccc2n1 ZINC000001423800 570999852 /nfs/dbraw/zinc/99/98/52/570999852.db2.gz VCBYBCGFXJTATN-UHFFFAOYSA-N 0 0 389.308 4.729 50 0 GJAARN Cc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)c(C)c1 ZINC000007615998 571001954 /nfs/dbraw/zinc/00/19/54/571001954.db2.gz VODZKSIYLKGSCZ-UHFFFAOYSA-N 0 0 392.480 4.639 50 0 GJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045941684 571003540 /nfs/dbraw/zinc/00/35/40/571003540.db2.gz BWYGHOGFQJHFNH-JOCHJYFZSA-N 0 0 389.426 4.887 50 0 GJAARN Cc1nnc(CN2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)s1 ZINC000560938709 571003756 /nfs/dbraw/zinc/00/37/56/571003756.db2.gz BCEBKNXAFIIKRF-UHFFFAOYSA-N 0 0 397.479 4.582 50 0 GJAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000045941927 571003835 /nfs/dbraw/zinc/00/38/35/571003835.db2.gz RLGLKHXSWDBEMT-JOCHJYFZSA-N 0 0 399.446 4.526 50 0 GJAARN CC(C)(C)Cc1noc2ncc(C(=O)N[C@@H]3CCSc4ccccc43)cc12 ZINC000084169933 571005305 /nfs/dbraw/zinc/00/53/05/571005305.db2.gz MIQVQZUWRPBESP-MRXNPFEDSA-N 0 0 381.501 4.778 50 0 GJAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc(C)cc(-c2ccccc2)n1 ZINC000007624824 571007691 /nfs/dbraw/zinc/00/76/91/571007691.db2.gz SYTJXWADKNJBIW-HNNXBMFYSA-N 0 0 379.485 4.580 50 0 GJAARN CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Cl)cc1 ZINC000012763696 571014706 /nfs/dbraw/zinc/01/47/06/571014706.db2.gz TYHIXIPZYXSVAL-QGZVFWFLSA-N 0 0 377.941 4.669 50 0 GJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(Cc3ccccc3)c2n1 ZINC000046053754 571015627 /nfs/dbraw/zinc/01/56/27/571015627.db2.gz ISZAHIQELFYSCU-UHFFFAOYSA-N 0 0 388.854 4.638 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056543 571016529 /nfs/dbraw/zinc/01/65/29/571016529.db2.gz NJTUMICLQVFITB-OAQYLSRUSA-N 0 0 395.462 4.951 50 0 GJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000046056459 571016683 /nfs/dbraw/zinc/01/66/83/571016683.db2.gz VGDJQFZSJABBFO-SFHVURJKSA-N 0 0 393.874 4.705 50 0 GJAARN Cc1nn(-c2ccc(C)cc2C)c2c1C(=C(O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046056906 571017261 /nfs/dbraw/zinc/01/72/61/571017261.db2.gz UUMXYNAGFJKDLX-IBGZPJMESA-N 0 0 387.483 4.723 50 0 GJAARN Cc1n[nH]c(C(=O)N([C@@H](C)c2ccc3ccccc3c2)C2CC2)c1Br ZINC000065889968 571017339 /nfs/dbraw/zinc/01/73/39/571017339.db2.gz XUQOBLQALALPHV-ZDUSSCGKSA-N 0 0 398.304 5.000 50 0 GJAARN O=C(c1ccn(C(F)F)n1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091625494 571019789 /nfs/dbraw/zinc/01/97/89/571019789.db2.gz OLUFDIXOPRVDAA-UHFFFAOYSA-N 0 0 381.426 4.501 50 0 GJAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1 ZINC000046076478 571020206 /nfs/dbraw/zinc/02/02/06/571020206.db2.gz OOOIIZOPEQDQHE-KRWDZBQOSA-N 0 0 393.464 4.684 50 0 GJAARN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000084525459 571021066 /nfs/dbraw/zinc/02/10/66/571021066.db2.gz WYUVUHBZPVEMIK-RKDXNWHRSA-N 0 0 376.070 4.981 50 0 GJAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)NCCC(C)C)cc3)C2=O)c1 ZINC000046079514 571021949 /nfs/dbraw/zinc/02/19/49/571021949.db2.gz PRWNCGHFDWWUCE-UHFFFAOYSA-N 0 0 393.531 4.603 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000084560077 571023257 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O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1 ZINC000000626269 212165675 /nfs/dbraw/zinc/16/56/75/212165675.db2.gz FDBLQOXFUDAIKT-UHFFFAOYSA-N 0 0 398.491 4.936 50 0 GJAARN Cc1cc(C)n(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)n1 ZINC000000626758 212165430 /nfs/dbraw/zinc/16/54/30/212165430.db2.gz KBLGWOIMDAGJFS-MRXNPFEDSA-N 0 0 388.298 4.976 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)ccc3n2)cc1 ZINC000000653409 212169677 /nfs/dbraw/zinc/16/96/77/212169677.db2.gz AMNIDWHBQWCVOA-LJQANCHMSA-N 0 0 390.483 4.518 50 0 GJAARN CCCc1cc(C(=O)OC)c(NC(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000000648294 212169268 /nfs/dbraw/zinc/16/92/68/212169268.db2.gz RAWFJNMSDJGRMK-UHFFFAOYSA-N 0 0 386.300 4.975 50 0 GJAARN Cc1sc(NC(=S)NC(=O)c2ccccc2)nc1-c1cc(C)ccc1C ZINC000000653778 212169341 /nfs/dbraw/zinc/16/93/41/212169341.db2.gz CMVCBBIEJKYFBU-UHFFFAOYSA-N 0 0 381.526 4.862 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O ZINC000000638823 212168831 /nfs/dbraw/zinc/16/88/31/212168831.db2.gz 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212148413 /nfs/dbraw/zinc/14/84/13/212148413.db2.gz LWCYVDVFCIBXEA-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 GJAARN O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccccc1Br ZINC000008515165 212148062 /nfs/dbraw/zinc/14/80/62/212148062.db2.gz NDTHWVPIDUYAOU-FMIVXFBMSA-N 0 0 387.664 4.757 50 0 GJAARN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000004083477 212145485 /nfs/dbraw/zinc/14/54/85/212145485.db2.gz UOGVUQZHAFLJIR-UDPUJEMESA-N 0 0 391.511 4.603 50 0 GJAARN COc1cccc(Oc2c(=O)c3ccc(OC(C)=O)cc3oc2C(F)(F)F)c1 ZINC000001448011 212145029 /nfs/dbraw/zinc/14/50/29/212145029.db2.gz JFQPJDLWDINLCW-UHFFFAOYSA-N 0 0 394.301 4.538 50 0 biogenic GJAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)cc1 ZINC000001447666 212144908 /nfs/dbraw/zinc/14/49/08/212144908.db2.gz UCZGDKZOAXORRK-IBGZPJMESA-N 0 0 388.446 4.818 50 0 GJAARN CC(C)[C@H](C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1)n1cccc1 ZINC000263587553 212141704 /nfs/dbraw/zinc/14/17/04/212141704.db2.gz IFCWGNJVZMCBEI-HSZRJFAPSA-N 0 0 386.499 4.985 50 0 GJAARN COc1ccccc1-c1coc2cc(OC(=O)c3cccs3)ccc2c1=O ZINC000000940556 212142383 /nfs/dbraw/zinc/14/23/83/212142383.db2.gz MSYJCBRHHVVEEY-UHFFFAOYSA-N 0 0 378.405 4.749 50 0 biogenic GJAARN Clc1cccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)c1 ZINC000263619522 212142437 /nfs/dbraw/zinc/14/24/37/212142437.db2.gz ZBVZRWLPOFCLER-KRWDZBQOSA-N 0 0 378.819 4.525 50 0 GJAARN CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000257173715 212140234 /nfs/dbraw/zinc/14/02/34/212140234.db2.gz VOGZOQZBHKOREB-BEVDRBHNSA-N 0 0 384.545 4.600 50 0 GJAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cc(Cl)ccc1Cl ZINC000253399696 212135712 /nfs/dbraw/zinc/13/57/12/212135712.db2.gz JUSZABWOUDJHOQ-KRWDZBQOSA-N 0 0 398.336 4.782 50 0 GJAARN S=C(NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019809854 212106769 /nfs/dbraw/zinc/10/67/69/212106769.db2.gz MQXIYTFCVNTBIT-UHFFFAOYSA-N 0 0 393.600 4.601 50 0 in-vitro GJAARN O=C(C(=O)N1CCc2ccccc21)c1cn(Cc2ccccc2F)c2ccccc12 ZINC000096191725 209134777 /nfs/dbraw/zinc/13/47/77/209134777.db2.gz DRXZBUXJTYPDII-UHFFFAOYSA-N 0 0 398.437 4.601 50 0 GJAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002795579 209116401 /nfs/dbraw/zinc/11/64/01/209116401.db2.gz FFTUOJNFBVRMNM-MRVPVSSYSA-N 0 0 380.197 4.792 50 0 GJAARN CC(=O)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 ZINC000001405029 209116066 /nfs/dbraw/zinc/11/60/66/209116066.db2.gz LFZLHOXLNHSRHF-UHFFFAOYSA-N 0 0 396.422 4.899 50 0 GJAARN O=C(CCc1ccccc1)Nc1ccc(I)cc1Cl ZINC000001128789 206260549 /nfs/dbraw/zinc/26/05/49/206260549.db2.gz DNSOGFVGZZQDBB-UHFFFAOYSA-N 0 0 385.632 4.516 50 0 GJAARN CO[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000244950792 206279944 /nfs/dbraw/zinc/27/99/44/206279944.db2.gz FLTUOZXTHADILG-IBGZPJMESA-N 0 0 387.863 4.748 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2CC2)[C@H]1c1cccs1 ZINC000257173182 206287366 /nfs/dbraw/zinc/28/73/66/206287366.db2.gz FXHSLAOXBRJLMT-NHCUHLMSSA-N 0 0 396.556 4.601 50 0 GJAARN Clc1ccccc1-c1noc(-c2ncn3c2CO[C@@H](c2ccccc2)C3)n1 ZINC000263616778 206289365 /nfs/dbraw/zinc/28/93/65/206289365.db2.gz KMHPSICPPOHKNU-QGZVFWFLSA-N 0 0 378.819 4.525 50 0 GJAARN CC(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccccc1Br)c2=O ZINC000000836894 206290822 /nfs/dbraw/zinc/29/08/22/206290822.db2.gz CIKSNROKEYBJCU-UHFFFAOYSA-N 0 0 389.201 4.582 50 0 GJAARN Fc1cc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)ccc1Cl ZINC000263618838 206290770 /nfs/dbraw/zinc/29/07/70/206290770.db2.gz VTIOYCQFDODGFM-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN COc1cccc(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c1 ZINC000001151669 206290050 /nfs/dbraw/zinc/29/00/50/206290050.db2.gz NBFNHFWHVJALOZ-UHFFFAOYSA-N 0 0 386.403 4.730 50 0 biogenic GJAARN CCOC(=O)[C@H](C)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 ZINC000004586207 206293284 /nfs/dbraw/zinc/29/32/84/206293284.db2.gz VIEYULCHRBWYCJ-ZDUSSCGKSA-N 0 0 378.380 4.537 50 0 biogenic GJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000009175817 206306697 /nfs/dbraw/zinc/30/66/97/206306697.db2.gz OOEDQJCGWUNDFL-UHFFFAOYSA-N 0 0 395.436 4.573 50 0 GJAARN COc1cccc(Nc2nc3nccnc3c(Nc3ccc(C)c(Cl)c3)n2)c1 ZINC000009075119 206307316 /nfs/dbraw/zinc/30/73/16/206307316.db2.gz UAIIFIOXVFTONM-UHFFFAOYSA-N 0 0 392.850 4.877 50 0 GJAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N21 ZINC000000625311 206307609 /nfs/dbraw/zinc/30/76/09/206307609.db2.gz MXAMHBCJAQWPLN-QGHHPUGFSA-N 0 0 399.878 4.580 50 0 GJAARN O=C(Cn1nc(-c2ccc(Br)cc2)oc1=S)c1ccccc1 ZINC000000622814 206308644 /nfs/dbraw/zinc/30/86/44/206308644.db2.gz OIAMJBIQHLXYIO-UHFFFAOYSA-N 0 0 375.247 4.518 50 0 GJAARN CC(C)(C)N(Cc1ccccc1)C(=O)C(=O)N(Cc1ccccc1)C(C)(C)C ZINC000002165389 206309457 /nfs/dbraw/zinc/30/94/57/206309457.db2.gz NLVXCXKAWXFWRQ-UHFFFAOYSA-N 0 0 380.532 4.641 50 0 GJAARN O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1ccco1 ZINC000000631503 206309468 /nfs/dbraw/zinc/30/94/68/206309468.db2.gz DMGCEEBVNYJJJK-SFHVURJKSA-N 0 0 389.238 4.637 50 0 GJAARN O=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)cc1Cl ZINC000000630020 206309805 /nfs/dbraw/zinc/30/98/05/206309805.db2.gz BHUHRUYWWXSCJX-UHFFFAOYSA-N 0 0 384.060 4.514 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1)c1ccccc1 ZINC000000640286 206310229 /nfs/dbraw/zinc/31/02/29/206310229.db2.gz NPPKNSHRAVHLHD-XMMPIXPASA-N 0 0 395.458 4.787 50 0 GJAARN Cc1nn(C(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1Cl ZINC000000648986 206311537 /nfs/dbraw/zinc/31/15/37/206311537.db2.gz KTHAIDKITBWZOG-UHFFFAOYSA-N 0 0 380.875 4.910 50 0 GJAARN COc1ccc(CCNC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1OC ZINC000000644906 206311613 /nfs/dbraw/zinc/31/16/13/206311613.db2.gz BPTHCRCOVYVDDM-UHFFFAOYSA-N 0 0 385.847 4.590 50 0 GJAARN Brc1cccc(-c2cccc(-c3cccc(Br)n3)n2)n1 ZINC000000641952 206312437 /nfs/dbraw/zinc/31/24/37/206312437.db2.gz PYMBATDYUCQLBC-UHFFFAOYSA-N 0 0 391.066 4.731 50 0 GJAARN CCc1ccc(-c2nc(NC(=S)NC(=O)c3ccccc3)sc2C)cc1 ZINC000000653890 206313137 /nfs/dbraw/zinc/31/31/37/206313137.db2.gz SZZLYCCZFXRYDZ-UHFFFAOYSA-N 0 0 381.526 4.808 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4F)c(N)c3cc2C1 ZINC000000661898 206313403 /nfs/dbraw/zinc/31/34/03/206313403.db2.gz TXAOPKKJWXVUPK-SNVBAGLBSA-N 0 0 387.455 4.924 50 0 GJAARN O=C1NC(=Cc2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 ZINC000000660468 206313538 /nfs/dbraw/zinc/31/35/38/206313538.db2.gz REAWVTJTRCOUPW-QGOAFFKASA-N 0 0 397.356 4.593 50 0 GJAARN CC1(C)C[C@H](NC(=O)C2CCCCC2)C[C@@](C)(CNC(=O)C2CCCCC2)C1 ZINC000000669169 206313863 /nfs/dbraw/zinc/31/38/63/206313863.db2.gz FGHZXDKIKAURBN-GBXCKJPGSA-N 0 0 390.612 4.964 50 0 GJAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000000678851 206315467 /nfs/dbraw/zinc/31/54/67/206315467.db2.gz ICRDEYDOMHJMQA-UHFFFAOYSA-N 0 0 389.908 4.514 50 0 GJAARN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000000680921 206316172 /nfs/dbraw/zinc/31/61/72/206316172.db2.gz TUPNTLOORWAEQU-LBPRGKRZSA-N 0 0 376.909 4.989 50 0 GJAARN c1ccc(CSc2nnc3c(n2)O[C@H](c2ccncc2)Nc2ccccc2-3)cc1 ZINC000000713096 206318790 /nfs/dbraw/zinc/31/87/90/206318790.db2.gz NNISDZVCHHWZOC-HXUWFJFHSA-N 0 0 399.479 4.729 50 0 GJAARN CCOc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CCC3)cc1 ZINC000000722370 206318975 /nfs/dbraw/zinc/31/89/75/206318975.db2.gz BJOVPPVHIQVDMO-UHFFFAOYSA-N 0 0 386.517 4.872 50 0 GJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1ccc(Cl)cc1 ZINC000000713758 206319575 /nfs/dbraw/zinc/31/95/75/206319575.db2.gz DHJBTRPQNIIAKU-IBGZPJMESA-N 0 0 389.929 4.930 50 0 GJAARN COc1ccc(-c2csc3nc(-c4ccccc4C)oc(=O)c23)cc1OC ZINC000000798304 206321785 /nfs/dbraw/zinc/32/17/85/206321785.db2.gz VEBTWDRDUOUDMO-UHFFFAOYSA-N 0 0 379.437 4.909 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCO2 ZINC000000809589 206323397 /nfs/dbraw/zinc/32/33/97/206323397.db2.gz CFYZVXFSEOWJCS-UHFFFAOYSA-N 0 0 394.814 4.573 50 0 GJAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCC[C@H]4C)c3n2)cc1 ZINC000000815321 206324234 /nfs/dbraw/zinc/32/42/34/206324234.db2.gz NVPUMSULWSYBAH-CQSZACIVSA-N 0 0 384.430 4.657 50 0 GJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccccc1 ZINC000000858842 206328946 /nfs/dbraw/zinc/32/89/46/206328946.db2.gz LKUORIFXKANIFZ-UHFFFAOYSA-N 0 0 381.453 4.853 50 0 GJAARN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(Cl)ccc1Cl ZINC000000869748 206329608 /nfs/dbraw/zinc/32/96/08/206329608.db2.gz XEJWVRVSFARMIC-UHFFFAOYSA-N 0 0 392.208 4.726 50 0 GJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC000009625381 206334670 /nfs/dbraw/zinc/33/46/70/206334670.db2.gz OOXATPWWXWJCJM-UHFFFAOYSA-N 0 0 394.500 4.894 50 0 GJAARN C[C@@H]1CCc2c(sc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 ZINC000000951871 206336673 /nfs/dbraw/zinc/33/66/73/206336673.db2.gz IJDDBUKNLOHKCU-SNVBAGLBSA-N 0 0 379.312 4.938 50 0 GJAARN CCOc1ccccc1NC(=O)/C=C/c1ccc(OC)c(Br)c1 ZINC000000951600 206336734 /nfs/dbraw/zinc/33/67/34/206336734.db2.gz WILPMFWPXQSPFD-PKNBQFBNSA-N 0 0 376.250 4.508 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@@H](C)C(=O)OC(C)C)cc1 ZINC000000953513 206337661 /nfs/dbraw/zinc/33/76/61/206337661.db2.gz CLOVNDDDUCQJMC-AWEZNQCLSA-N 0 0 375.852 4.620 50 0 GJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OC)cc1OC ZINC000000953633 206337836 /nfs/dbraw/zinc/33/78/36/206337836.db2.gz GFPCAAKJNUGZGQ-UHFFFAOYSA-N 0 0 380.444 4.789 50 0 GJAARN CCOC(=O)c1c(NC(=O)Nc2ccccc2C)sc2c1CC(C)(C)OC2 ZINC000000986195 206338688 /nfs/dbraw/zinc/33/86/88/206338688.db2.gz DKZFERUHAJNLQA-UHFFFAOYSA-N 0 0 388.489 4.729 50 0 GJAARN Fc1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1Cl ZINC000000977629 206338901 /nfs/dbraw/zinc/33/89/01/206338901.db2.gz QSLCPUINFRZLHI-UHFFFAOYSA-N 0 0 399.676 4.510 50 0 GJAARN Cc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000992732 206339722 /nfs/dbraw/zinc/33/97/22/206339722.db2.gz JFTSQYFWVOCOEL-UHFFFAOYSA-N 0 0 388.419 4.562 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)c3ccccc3n2)cc1 ZINC000000994794 206340300 /nfs/dbraw/zinc/34/03/00/206340300.db2.gz SCHYNPHXJBTOQB-UHFFFAOYSA-N 0 0 390.468 4.713 50 0 GJAARN Cc1sc(NC(=O)C(F)(F)F)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000001002087 206340936 /nfs/dbraw/zinc/34/09/36/206340936.db2.gz HPWAPYKRGKUIBH-UHFFFAOYSA-N 0 0 384.423 4.621 50 0 GJAARN NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2 ZINC000000997691 206341027 /nfs/dbraw/zinc/34/10/27/206341027.db2.gz BHIMTEIQCZPICX-UHFFFAOYSA-N 0 0 383.300 4.675 50 0 GJAARN CCOc1ccccc1C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl ZINC000001006502 206341454 /nfs/dbraw/zinc/34/14/54/206341454.db2.gz GSLWDEQKFDUASM-UHFFFAOYSA-N 0 0 388.895 4.767 50 0 GJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(-c3ccccn3)s1)CC2 ZINC000001032680 206342947 /nfs/dbraw/zinc/34/29/47/206342947.db2.gz WNUXQNAQGATDQF-AWEZNQCLSA-N 0 0 394.496 4.587 50 0 GJAARN CC(=O)c1ccc2c(N)c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2n1 ZINC000001031999 206343788 /nfs/dbraw/zinc/34/37/88/206343788.db2.gz MEZVYPIWYYKIPB-UHFFFAOYSA-N 0 0 380.256 4.640 50 0 GJAARN Cc1cc2ncc(-c3ccnc(SCc4ccc(Cl)cc4)n3)c(C)n2n1 ZINC000001038315 206344521 /nfs/dbraw/zinc/34/45/21/206344521.db2.gz NUYOGMITVBLBHM-UHFFFAOYSA-N 0 0 381.892 4.749 50 0 GJAARN COc1cc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000001037212 206344643 /nfs/dbraw/zinc/34/46/43/206344643.db2.gz IDQGSCAWIGITLX-QPJJXVBHSA-N 0 0 382.243 4.671 50 0 GJAARN O=C(NCc1ccc(-c2cccs2)s1)NC(=O)c1ccc(Cl)cc1 ZINC000001039554 206344988 /nfs/dbraw/zinc/34/49/88/206344988.db2.gz QPSNTABPDOYCIU-UHFFFAOYSA-N 0 0 376.890 4.770 50 0 GJAARN O=C(Cc1cccs1)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000001043654 206345751 /nfs/dbraw/zinc/34/57/51/206345751.db2.gz TYONYSVUAPIUAM-UHFFFAOYSA-N 0 0 383.313 4.889 50 0 GJAARN CC1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000001059673 206346591 /nfs/dbraw/zinc/34/65/91/206346591.db2.gz HUTKQXLOHFIPDL-UHFFFAOYSA-N 0 0 393.512 4.796 50 0 GJAARN COc1ccc([C@H](C)NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC ZINC000001054997 206347530 /nfs/dbraw/zinc/34/75/30/206347530.db2.gz VPEBSNZZDPBGLN-HNNXBMFYSA-N 0 0 389.451 4.819 50 0 GJAARN COc1ccc(C(=O)Nc2ccccc2NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000001061820 206347667 /nfs/dbraw/zinc/34/76/67/206347667.db2.gz MJDXDSSVRBNUMW-UHFFFAOYSA-N 0 0 394.858 4.782 50 0 GJAARN O=C(OCc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Br)o1 ZINC000001074537 206349869 /nfs/dbraw/zinc/34/98/69/206349869.db2.gz SBBOFXAILUQMRO-UHFFFAOYSA-N 0 0 385.213 4.630 50 0 GJAARN CSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000001079550 206349995 /nfs/dbraw/zinc/34/99/95/206349995.db2.gz FCWUGJFPSQPLOV-UHFFFAOYSA-N 0 0 376.481 4.591 50 0 GJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc(Cl)cc1 ZINC000001083727 206350731 /nfs/dbraw/zinc/35/07/31/206350731.db2.gz OCPQEQZWSRBPHQ-UHFFFAOYSA-N 0 0 393.826 4.595 50 0 GJAARN O=c1[nH]c2ccc(NCc3ccc(OCc4ccc(Cl)cc4)cc3)cc2[nH]1 ZINC000001080450 206350809 /nfs/dbraw/zinc/35/08/09/206350809.db2.gz GDKUALSGKZMQNJ-UHFFFAOYSA-N 0 0 379.847 4.701 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cc(I)ccc1Cl ZINC000001086612 206350883 /nfs/dbraw/zinc/35/08/83/206350883.db2.gz WIBZLNNHAVQXJB-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000001092485 206351065 /nfs/dbraw/zinc/35/10/65/206351065.db2.gz MRCIOTLSCARHFQ-ZOVQAKDCSA-N 0 0 393.486 4.956 50 0 GJAARN Clc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 ZINC000001105446 206352740 /nfs/dbraw/zinc/35/27/40/206352740.db2.gz MZVIIXGDEHTFIN-UHFFFAOYSA-N 0 0 382.876 4.927 50 0 GJAARN COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 ZINC000001110145 206353657 /nfs/dbraw/zinc/35/36/57/206353657.db2.gz ZVDLKIMHJQEINO-UHFFFAOYSA-N 0 0 398.459 4.868 50 0 GJAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3c(C)cccc3C)ccc12 ZINC000001111454 206354162 /nfs/dbraw/zinc/35/41/62/206354162.db2.gz GIZHVTQTRUSURN-UHFFFAOYSA-N 0 0 379.456 4.688 50 0 GJAARN COC(=O)c1cn(C(=O)c2cc(Br)ccc2Cl)c2ccccc12 ZINC000001116908 206354845 /nfs/dbraw/zinc/35/48/45/206354845.db2.gz ZWIWYRHLFVZRTG-UHFFFAOYSA-N 0 0 392.636 4.532 50 0 GJAARN Cc1c(Cl)cccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001142430 206358447 /nfs/dbraw/zinc/35/84/47/206358447.db2.gz BVGMNOCYFUQPEH-UHFFFAOYSA-N 0 0 380.344 4.821 50 0 GJAARN Cc1nnc(SCc2c(F)c(F)c(F)c(F)c2F)n1-c1ccc(C)cc1 ZINC000010132612 206373724 /nfs/dbraw/zinc/37/37/24/206373724.db2.gz ZTFNKKRAIFEDFI-UHFFFAOYSA-N 0 0 385.361 4.872 50 0 GJAARN CC[C@H](C)NC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000001383670 206376869 /nfs/dbraw/zinc/37/68/69/206376869.db2.gz HXERARAIXDPHBE-NRUITVPNSA-N 0 0 388.305 4.956 50 0 GJAARN C[C@H]1C(=O)N(Cc2ccccc2Cl)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381840 206377072 /nfs/dbraw/zinc/37/70/72/206377072.db2.gz JGZTWWLMJLZSEZ-INIZCTEOSA-N 0 0 390.870 4.922 50 0 GJAARN O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(Br)c1 ZINC000001386211 206377597 /nfs/dbraw/zinc/37/75/97/206377597.db2.gz WWAZVLSIEORJNO-UHFFFAOYSA-N 0 0 393.590 4.698 50 0 GJAARN FC(F)(F)c1ccc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)cc1 ZINC000001392371 206378206 /nfs/dbraw/zinc/37/82/06/206378206.db2.gz VNMGBSCFLZLNRE-UHFFFAOYSA-N 0 0 382.267 4.982 50 0 GJAARN Cc1cc(Cl)ccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001406136 206379377 /nfs/dbraw/zinc/37/93/77/206379377.db2.gz 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ZINC000030958766 207378642 /nfs/dbraw/zinc/37/86/42/207378642.db2.gz UFBZXQVUXKKFNC-JOCHJYFZSA-N 0 0 377.488 4.918 50 0 GJAARN CN(Cc1cccs1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000031347867 207381171 /nfs/dbraw/zinc/38/11/71/207381171.db2.gz VEXAHNGJFOOWLW-UHFFFAOYSA-N 0 0 399.825 4.878 50 0 GJAARN COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000032071903 207389314 /nfs/dbraw/zinc/38/93/14/207389314.db2.gz PTVATDPDBVPARG-UHFFFAOYSA-N 0 0 385.423 4.593 50 0 GJAARN CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3ccc(OC)cc3)no2)s1 ZINC000032089972 207390546 /nfs/dbraw/zinc/39/05/46/207390546.db2.gz OCGVXDWEILECPY-UHFFFAOYSA-N 0 0 386.477 4.552 50 0 GJAARN CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 ZINC000032094158 207390977 /nfs/dbraw/zinc/39/09/77/207390977.db2.gz KCMKHQODAUOVIT-UHFFFAOYSA-N 0 0 389.411 4.635 50 0 GJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 ZINC000032102066 207391924 /nfs/dbraw/zinc/39/19/24/207391924.db2.gz VTSPUHVHPMQKBV-FPYGCLRLSA-N 0 0 391.814 4.901 50 0 GJAARN O=S(=O)(Cc1ccccc1)Oc1ccc2c(c1)onc2-c1ccc(F)cc1 ZINC000032101623 207392728 /nfs/dbraw/zinc/39/27/28/207392728.db2.gz CTWRJVVDWHPCIS-UHFFFAOYSA-N 0 0 383.400 4.543 50 0 GJAARN O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccc(Br)cc1 ZINC000032594066 207396720 /nfs/dbraw/zinc/39/67/20/207396720.db2.gz XFFLKRLBJIVGSW-UHFFFAOYSA-N 0 0 398.260 4.630 50 0 GJAARN O=C1c2cccc3cccc(c23)N1CN1CCC(c2nc3ccccc3o2)CC1 ZINC000032506803 207396943 /nfs/dbraw/zinc/39/69/43/207396943.db2.gz FJPVDMNUCWSPHU-UHFFFAOYSA-N 0 0 383.451 4.778 50 0 GJAARN CCCOc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c2cccnc12 ZINC000032623477 207398953 /nfs/dbraw/zinc/39/89/53/207398953.db2.gz NCHCXEPKVACPLK-UHFFFAOYSA-N 0 0 388.423 4.691 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1 ZINC000032772769 207406904 /nfs/dbraw/zinc/40/69/04/207406904.db2.gz PHCOUHXEZHAVEJ-SFHVURJKSA-N 0 0 381.888 4.808 50 0 GJAARN Cc1noc(-c2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2)n1 ZINC000032906185 207418234 /nfs/dbraw/zinc/41/82/34/207418234.db2.gz 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/nfs/dbraw/zinc/50/85/40/208508540.db2.gz QRJGMWXMCDTDMS-UHFFFAOYSA-N 0 0 399.450 4.809 50 0 GJAARN CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 ZINC000002706279 208503828 /nfs/dbraw/zinc/50/38/28/208503828.db2.gz NUWSJRSUVUVKLS-HNNXBMFYSA-N 0 0 385.562 4.857 50 0 GJAARN COc1cc(NC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC ZINC000002726446 208505957 /nfs/dbraw/zinc/50/59/57/208505957.db2.gz YLEMQOSYEIXFBX-UHFFFAOYSA-N 0 0 377.849 4.833 50 0 GJAARN O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(Br)c1 ZINC000004070836 208534771 /nfs/dbraw/zinc/53/47/71/208534771.db2.gz ZNCMFAMNVVDUKL-UHFFFAOYSA-N 0 0 385.286 4.924 50 0 GJAARN COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)c1 ZINC000004088730 208536419 /nfs/dbraw/zinc/53/64/19/208536419.db2.gz GUIXKBXOEGETCB-UHFFFAOYSA-N 0 0 385.876 4.533 50 0 GJAARN CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(C(C)C)s1 ZINC000004174619 208539223 /nfs/dbraw/zinc/53/92/23/208539223.db2.gz DMOFZVWYTPCGNR-LLVKDONJSA-N 0 0 378.548 4.781 50 0 GJAARN O=C(NCCSc1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000004315578 208541459 /nfs/dbraw/zinc/54/14/59/208541459.db2.gz KSOIKGDQJFPNAL-UHFFFAOYSA-N 0 0 391.418 4.618 50 0 GJAARN COc1cc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2cc1OC ZINC000004479898 208544473 /nfs/dbraw/zinc/54/44/73/208544473.db2.gz FBOQNHWPSDQYCA-UHFFFAOYSA-N 0 0 383.256 4.873 50 0 GJAARN CCc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(C)=O)c3)nn2)cc1 ZINC000004356315 208545090 /nfs/dbraw/zinc/54/50/90/208545090.db2.gz RDFQREGLYHISCT-UHFFFAOYSA-N 0 0 391.496 4.639 50 0 GJAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004854468 208546285 /nfs/dbraw/zinc/54/62/85/208546285.db2.gz VHRNAKLJAFFDCM-FQEVSTJZSA-N 0 0 381.863 4.787 50 0 GJAARN Cc1cccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c1C ZINC000005061863 208665110 /nfs/dbraw/zinc/66/51/10/208665110.db2.gz YPVOZHALUDMSPW-UHFFFAOYSA-N 0 0 388.467 4.526 50 0 GJAARN O=C(Nc1ccccc1F)C(=Cc1ccsc1)C(=O)Nc1ccccc1F ZINC000005131415 208665520 /nfs/dbraw/zinc/66/55/20/208665520.db2.gz 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/nfs/dbraw/zinc/77/40/91/208774091.db2.gz WUINCHVEQNBTRN-UHFFFAOYSA-N 0 0 394.515 4.947 50 0 GJAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)c2c1C ZINC000012933104 208779316 /nfs/dbraw/zinc/77/93/16/208779316.db2.gz KCGXOGYVOQPYAQ-YVLXSGLVSA-N 0 0 377.579 4.792 50 0 GJAARN COc1ccc([C@@H]2CCCCN(C(=O)c3cc4cccc(OC)c4o3)C2)cc1 ZINC000208002569 208786389 /nfs/dbraw/zinc/78/63/89/208786389.db2.gz VTRJLISXZZHWIE-GOSISDBHSA-N 0 0 379.456 4.860 50 0 GJAARN COCCCN(Cc1ccc(OC)cc1)C(=O)c1[nH]c2ccccc2c1Cl ZINC000214983379 208818406 /nfs/dbraw/zinc/81/84/06/208818406.db2.gz JPULKAJUJXBBOT-UHFFFAOYSA-N 0 0 386.879 4.509 50 0 GJAARN Cc1cc2c(N)c(C(=O)Nc3ccccc3OC(F)(F)F)sc2nc1C ZINC000215758433 208820393 /nfs/dbraw/zinc/82/03/93/208820393.db2.gz MXCSPYZSWHFOBL-UHFFFAOYSA-N 0 0 381.379 4.646 50 0 GJAARN O=C(NC1CCCC1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000728188 220456314 /nfs/dbraw/zinc/45/63/14/220456314.db2.gz JBPUNOQMZAEFGP-UHFFFAOYSA-N 0 0 382.467 4.736 50 0 GJAARN O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc(=O)c2ccccc2o1 ZINC000022769083 208854183 /nfs/dbraw/zinc/85/41/83/208854183.db2.gz COSCAARDTLZUCS-UHFFFAOYSA-N 0 0 387.347 4.551 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2c(cccc2F)s1 ZINC000024395472 208868827 /nfs/dbraw/zinc/86/88/27/208868827.db2.gz DFGLRHDTBNNAFA-UHFFFAOYSA-N 0 0 379.460 4.557 50 0 GJAARN CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc43)cc2oc1=O ZINC000002093497 220502169 /nfs/dbraw/zinc/50/21/69/220502169.db2.gz YPMPHMBJOIAPTG-UHFFFAOYSA-N 0 0 389.451 4.726 50 0 biogenic GJAARN c1c(-c2ccccc2)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 ZINC000002632466 220545524 /nfs/dbraw/zinc/54/55/24/220545524.db2.gz SYZTWBPKCRNLCK-OAHLLOKOSA-N 0 0 375.453 4.610 50 0 aggregator GJAARN COc1ccc(NC(=O)CCCSc2nc3ccccc3s2)c(OC)c1 ZINC000002628476 220546352 /nfs/dbraw/zinc/54/63/52/220546352.db2.gz VILYBOKJKVRRDU-UHFFFAOYSA-N 0 0 388.514 4.825 50 0 GJAARN CCCn1c(C)cc(-c2csc(NC(=O)COc3ccccc3OC)n2)c1C ZINC000002653809 220548459 /nfs/dbraw/zinc/54/84/59/220548459.db2.gz XHKURACMEHUITE-UHFFFAOYSA-N 0 0 399.516 4.665 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)c3ccc(O[C@H]4CCSC4)nc3)c2)cs1 ZINC000225715471 208970355 /nfs/dbraw/zinc/97/03/55/208970355.db2.gz RCVVZXHXXJSODU-KRWDZBQOSA-N 0 0 397.525 4.650 50 0 GJAARN c1ccc(-c2nnn3c2nc(N2CCc4ccccc4C2)c2ccccc23)cc1 ZINC000002688945 220552238 /nfs/dbraw/zinc/55/22/38/220552238.db2.gz COVYCLPVAGNNJQ-UHFFFAOYSA-N 0 0 377.451 4.507 50 0 GJAARN Cc1cc(SCC(=O)Nc2nc(-c3ccccc3)ns2)nc2ccccc12 ZINC000002696222 220553214 /nfs/dbraw/zinc/55/32/14/220553214.db2.gz HPVYWINTWDGZLK-UHFFFAOYSA-N 0 0 392.509 4.793 50 0 GJAARN CCc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 ZINC000002843742 220573513 /nfs/dbraw/zinc/57/35/13/220573513.db2.gz KTBPQQYECIRJLK-ZWKOTPCHSA-N 0 0 383.293 4.749 50 0 GJAARN Cc1ccc(F)cc1NC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000002796464 220565913 /nfs/dbraw/zinc/56/59/13/220565913.db2.gz OBHUUFFJHDKXJQ-UHFFFAOYSA-N 0 0 393.340 4.638 50 0 GJAARN COc1cc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc(OC)c1OC ZINC000032850748 208991651 /nfs/dbraw/zinc/99/16/51/208991651.db2.gz BPOSHNMOQXOXPC-UHFFFAOYSA-N 0 0 386.492 4.888 50 0 GJAARN COc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)cc1 ZINC000002806385 220569973 /nfs/dbraw/zinc/56/99/73/220569973.db2.gz YGSUGJPNWQCZOQ-UHFFFAOYSA-N 0 0 382.423 4.532 50 0 GJAARN Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1C ZINC000002866368 220577249 /nfs/dbraw/zinc/57/72/49/220577249.db2.gz QYKFNAXDROKRBX-UHFFFAOYSA-N 0 0 395.450 4.722 50 0 GJAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000002924152 220582712 /nfs/dbraw/zinc/58/27/12/220582712.db2.gz WLTRXBHOQUIGJM-LBPRGKRZSA-N 0 0 384.480 4.770 50 0 GJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccccc2C)c1C ZINC000002928820 220585782 /nfs/dbraw/zinc/58/57/82/220585782.db2.gz QONOKBNTMHJQJL-UHFFFAOYSA-N 0 0 390.483 4.977 50 0 GJAARN COc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000002980865 220592007 /nfs/dbraw/zinc/59/20/07/220592007.db2.gz DFZPEFUDPKIHKC-UHFFFAOYSA-N 0 0 381.859 4.858 50 0 GJAARN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1cccc(Br)c1 ZINC000003065988 220601634 /nfs/dbraw/zinc/60/16/34/220601634.db2.gz JLBKLPNTTUVKKQ-LHHJGKSTSA-N 0 0 398.590 4.725 50 0 GJAARN CCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 ZINC000003255127 220615273 /nfs/dbraw/zinc/61/52/73/220615273.db2.gz CGHBIUHGNCTIOP-UHFFFAOYSA-N 0 0 397.490 4.944 50 0 GJAARN COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003259578 220616938 /nfs/dbraw/zinc/61/69/38/220616938.db2.gz SBRDJWYJEUAXCB-UHFFFAOYSA-N 0 0 387.414 4.939 50 0 GJAARN O=C(CNc1ccc(Cl)cc1)COC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000003340118 220631495 /nfs/dbraw/zinc/63/14/95/220631495.db2.gz LFFRXGWKJBGZJJ-UHFFFAOYSA-N 0 0 397.858 4.757 50 0 GJAARN C[C@H]1CCCCN1C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000003400906 220639464 /nfs/dbraw/zinc/63/94/64/220639464.db2.gz WYSHZIBJEHTXBM-NSHDSACASA-N 0 0 399.994 4.810 50 0 GJAARN CCN(c1ccc(NC(=O)CSc2ncnc3ccccc32)cc1)C(C)C ZINC000003280780 220621174 /nfs/dbraw/zinc/62/11/74/220621174.db2.gz UMNCMQZSTDIXGX-UHFFFAOYSA-N 0 0 380.517 4.595 50 0 GJAARN CCc1ccc(Nc2nnc(SCC(=O)NCC3CCCCC3)s2)cc1 ZINC000003461505 220648075 /nfs/dbraw/zinc/64/80/75/220648075.db2.gz FKSBLZSVVATVCM-UHFFFAOYSA-N 0 0 390.578 4.633 50 0 GJAARN O=C1CCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000003562511 220656102 /nfs/dbraw/zinc/65/61/02/220656102.db2.gz HBZSKBNDHSLKAF-SFHVURJKSA-N 0 0 383.904 4.861 50 0 GJAARN CCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645367 220664038 /nfs/dbraw/zinc/66/40/38/220664038.db2.gz DANPWINSYHKTSI-UHFFFAOYSA-N 0 0 388.920 4.509 50 0 GJAARN CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1 ZINC000003816287 220666681 /nfs/dbraw/zinc/66/66/81/220666681.db2.gz RITAVMQDGBJQJZ-FMIVXFBMSA-N 0 0 386.480 4.639 50 0 fda GJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2Sc2cnccn2)cc1 ZINC000003997674 220670299 /nfs/dbraw/zinc/67/02/99/220670299.db2.gz XJASIVRIHLBDBJ-UHFFFAOYSA-N 0 0 399.541 4.726 50 0 GJAARN Cc1c(NC(=O)c2ccc(Cl)nc2)cccc1-c1nc2cccnc2s1 ZINC000004063088 220675648 /nfs/dbraw/zinc/67/56/48/220675648.db2.gz XFHASOYRGFKLDC-UHFFFAOYSA-N 0 0 380.860 4.967 50 0 GJAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Br)s1 ZINC000004224072 220695448 /nfs/dbraw/zinc/69/54/48/220695448.db2.gz DPEUYSCXBJXCPT-UHFFFAOYSA-N 0 0 393.287 4.779 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@H]1c1cccnc1 ZINC000004329797 220706258 /nfs/dbraw/zinc/70/62/58/220706258.db2.gz HMIWULUVQLDELU-GOSISDBHSA-N 0 0 387.270 4.827 50 0 GJAARN O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1 ZINC000004570857 220732066 /nfs/dbraw/zinc/73/20/66/220732066.db2.gz JPOQHWOJOQYYKD-UHFFFAOYSA-N 0 0 394.393 4.941 50 0 GJAARN Cc1cc(C)cc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 ZINC000004518077 220725205 /nfs/dbraw/zinc/72/52/05/220725205.db2.gz WWLIOWWOXNQLJT-UHFFFAOYSA-N 0 0 389.503 4.860 50 0 GJAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 ZINC000004702622 220751970 /nfs/dbraw/zinc/75/19/70/220751970.db2.gz QPAAVTQXJJKZQJ-OAQYLSRUSA-N 0 0 394.471 4.586 50 0 GJAARN 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/nfs/dbraw/zinc/01/80/23/221018023.db2.gz LJKWLAYYPSPJOO-UHFFFAOYSA-N 0 0 379.222 4.758 50 0 GJAARN CC(C)[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2ccccc2[nH]1 ZINC000007987689 221019925 /nfs/dbraw/zinc/01/99/25/221019925.db2.gz CCCAUUWRHSSPTL-QFIPXVFZSA-N 0 0 399.498 4.753 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000008831048 221060398 /nfs/dbraw/zinc/06/03/98/221060398.db2.gz DCFICSLLDKCZOG-QHCPKHFHSA-N 0 0 384.479 4.509 50 0 GJAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc12 ZINC000008428059 221041254 /nfs/dbraw/zinc/04/12/54/221041254.db2.gz FQVKHUWKNBQQHZ-CQSZACIVSA-N 0 0 388.496 4.990 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 ZINC000008707146 221050376 /nfs/dbraw/zinc/05/03/76/221050376.db2.gz HCGXHPQNHDNLAZ-OAHLLOKOSA-N 0 0 379.460 4.830 50 0 GJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000008738542 221054395 /nfs/dbraw/zinc/05/43/95/221054395.db2.gz MULWTADHQAUKGQ-UHFFFAOYSA-N 0 0 379.463 4.942 50 0 GJAARN CCCCNc1nnc(SCC(=O)Nc2c(C)cc(C)cc2Cl)s1 ZINC000008753281 221056019 /nfs/dbraw/zinc/05/60/19/221056019.db2.gz PYPAFPUUVVBOEE-UHFFFAOYSA-N 0 0 384.958 4.751 50 0 GJAARN Cc1csc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)n1 ZINC000008765489 221056442 /nfs/dbraw/zinc/05/64/42/221056442.db2.gz NXLXCMWGHFVDIS-UHFFFAOYSA-N 0 0 396.468 4.801 50 0 biogenic GJAARN CCOc1cccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000008769191 221057288 /nfs/dbraw/zinc/05/72/88/221057288.db2.gz AYDAYGWXVDOETO-UHFFFAOYSA-N 0 0 383.517 4.759 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)CCn3c(=O)sc4ccccc43)n2)cc1 ZINC000009165218 221072937 /nfs/dbraw/zinc/07/29/37/221072937.db2.gz CMJGYDFXIAOKTN-UHFFFAOYSA-N 0 0 395.509 4.524 50 0 GJAARN CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)cc1 ZINC000009195246 221074097 /nfs/dbraw/zinc/07/40/97/221074097.db2.gz ZLTDIQCPVXSZDQ-NGICGMGXSA-N 0 0 388.552 4.627 50 0 GJAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC(C)C)[C@@H]3c1ccc(C)cc1 ZINC000009224578 221074727 /nfs/dbraw/zinc/07/47/27/221074727.db2.gz HOZMEPZFYBVOSW-JOCHJYFZSA-N 0 0 377.488 4.550 50 0 GJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)NCCC(C)C)cc1 ZINC000009224535 221075223 /nfs/dbraw/zinc/07/52/23/221075223.db2.gz XSZPDMXKCANLDZ-HSZRJFAPSA-N 0 0 391.515 4.880 50 0 GJAARN O=C(Nc1nc(SCc2ccccc2)ns1)c1cnc(Cl)c(Cl)c1 ZINC000009315558 221076833 /nfs/dbraw/zinc/07/68/33/221076833.db2.gz QHWWDEZRSZEVKJ-UHFFFAOYSA-N 0 0 397.312 4.785 50 0 GJAARN CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009625299 221087228 /nfs/dbraw/zinc/08/72/28/221087228.db2.gz AZFFNSKFYANRRB-UHFFFAOYSA-N 0 0 394.500 4.839 50 0 GJAARN COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4cccc(F)c4)n3)c2c1 ZINC000009419343 221080242 /nfs/dbraw/zinc/08/02/42/221080242.db2.gz AWFDLXHRENPUBV-UHFFFAOYSA-N 0 0 381.432 5.000 50 0 GJAARN C[C@@H](c1ccccc1)N(C)C(=O)NCCCCCc1nc(-c2cccs2)no1 ZINC000009460306 221081137 /nfs/dbraw/zinc/08/11/37/221081137.db2.gz ZTPCAGDAJYFUDL-INIZCTEOSA-N 0 0 398.532 4.914 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(Cl)cc1 ZINC000009466424 221081420 /nfs/dbraw/zinc/08/14/20/221081420.db2.gz SVVUTJFYDYHDLY-SFHVURJKSA-N 0 0 385.920 4.533 50 0 GJAARN CCOC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000009527083 221084055 /nfs/dbraw/zinc/08/40/55/221084055.db2.gz KFBWTTOABGKQOW-UHFFFAOYSA-N 0 0 395.890 4.730 50 0 GJAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 ZINC000009514508 221084353 /nfs/dbraw/zinc/08/43/53/221084353.db2.gz ADNZDSQLMAQLRR-UHFFFAOYSA-N 0 0 391.448 4.756 50 0 GJAARN COc1ccc(CNC(=O)c2cc(OCc3ccccc3)nc3ccccc32)cc1 ZINC000009587686 221085878 /nfs/dbraw/zinc/08/58/78/221085878.db2.gz OHBXOUYAHGCVHH-UHFFFAOYSA-N 0 0 398.462 4.752 50 0 GJAARN CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)cc1 ZINC000009018997 221068148 /nfs/dbraw/zinc/06/81/48/221068148.db2.gz KPWHDMKELMEZCE-UHFFFAOYSA-N 0 0 398.462 4.774 50 0 GJAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1-c1ccccc1 ZINC000010412016 221102401 /nfs/dbraw/zinc/10/24/01/221102401.db2.gz UFBLBDJTKMETRL-UHFFFAOYSA-N 0 0 379.843 4.959 50 0 GJAARN C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000010464730 221104138 /nfs/dbraw/zinc/10/41/38/221104138.db2.gz JLBXNCXAHPSCNU-LBPRGKRZSA-N 0 0 378.350 4.892 50 0 GJAARN CCc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)cc1 ZINC000010447667 221104408 /nfs/dbraw/zinc/10/44/08/221104408.db2.gz IEQCAGOMIOJIEW-JOCHJYFZSA-N 0 0 389.476 4.936 50 0 GJAARN Cc1ccc(F)c(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 ZINC000010661541 221106328 /nfs/dbraw/zinc/10/63/28/221106328.db2.gz JRKOFAMSUWVXON-UHFFFAOYSA-N 0 0 376.435 4.518 50 0 GJAARN COc1ccc([C@@H](NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)C(C)C)cc1 ZINC000011052913 221110019 /nfs/dbraw/zinc/11/00/19/221110019.db2.gz MKBJMXXNSPGRBH-GYCJOSAFSA-N 0 0 395.499 4.586 50 0 GJAARN Cc1ccn2cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)nc2c1 ZINC000009712343 221089803 /nfs/dbraw/zinc/08/98/03/221089803.db2.gz UIGKRCDNILMULJ-QGZVFWFLSA-N 0 0 376.485 4.620 50 0 GJAARN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1 ZINC000009723961 221090891 /nfs/dbraw/zinc/09/08/91/221090891.db2.gz LLRNMEFSPPQZMF-KRWDZBQOSA-N 0 0 399.512 4.544 50 0 GJAARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)NC(C)(C)C ZINC000011021886 221109699 /nfs/dbraw/zinc/10/96/99/221109699.db2.gz BDJYWCOMKVHTMU-NSHDSACASA-N 0 0 387.471 4.860 50 0 GJAARN Cc1c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)sc2nc(C)cc(C)c12 ZINC000009898108 221093478 /nfs/dbraw/zinc/09/34/78/221093478.db2.gz ZUWZYGVOMVTYER-UHFFFAOYSA-N 0 0 379.485 4.822 50 0 GJAARN CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)s1 ZINC000009996157 221095224 /nfs/dbraw/zinc/09/52/24/221095224.db2.gz NYNQVXSNFSLQAL-UHFFFAOYSA-N 0 0 388.876 4.892 50 0 GJAARN O=C(NCCCn1ccc2ccccc21)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000010058116 221096656 /nfs/dbraw/zinc/09/66/56/221096656.db2.gz CZAUVVGRLSLPMQ-RBUKOAKNSA-N 0 0 386.417 4.970 50 0 GJAARN O=C(NCCCn1ccc2ccccc21)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000010058114 221096746 /nfs/dbraw/zinc/09/67/46/221096746.db2.gz CZAUVVGRLSLPMQ-MOPGFXCFSA-N 0 0 386.417 4.970 50 0 GJAARN CC[C@@H](C)N(C(=O)CSc1nnc(Nc2ccccc2F)s1)[C@H](C)CC ZINC000010077695 221097014 /nfs/dbraw/zinc/09/70/14/221097014.db2.gz BQQLHVPGYOYEID-CHWSQXEVSA-N 0 0 396.557 4.939 50 0 GJAARN Ic1ccc(NCc2ncc(-c3ccccc3)o2)cc1 ZINC000010037778 221097249 /nfs/dbraw/zinc/09/72/49/221097249.db2.gz SCYYBTBETWDYDP-UHFFFAOYSA-N 0 0 376.197 4.558 50 0 GJAARN O=C(C=Cc1ccccc1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011789469 221126144 /nfs/dbraw/zinc/12/61/44/221126144.db2.gz LGASKPFIYGLKTF-VEGGFIAOSA-N 0 0 393.437 4.774 50 0 GJAARN O=C(CS[C@@H]1CCc2ccccc2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000011865822 221133967 /nfs/dbraw/zinc/13/39/67/221133967.db2.gz IVVPCNJBFLLENI-MRXNPFEDSA-N 0 0 378.856 4.754 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)s1)C1CC1 ZINC000011265712 221113259 /nfs/dbraw/zinc/11/32/59/221113259.db2.gz UQKXHLIHHCRJGL-UHFFFAOYSA-N 0 0 393.512 4.598 50 0 GJAARN C[C@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2C1 ZINC000011214547 221113609 /nfs/dbraw/zinc/11/36/09/221113609.db2.gz PNRQKOQBVKQAIJ-ZDUSSCGKSA-N 0 0 380.469 4.971 50 0 GJAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000011461647 221115518 /nfs/dbraw/zinc/11/55/18/221115518.db2.gz PUVKFOUDFBMXLN-ZDUSSCGKSA-N 0 0 390.814 4.626 50 0 GJAARN CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000011443396 221115720 /nfs/dbraw/zinc/11/57/20/221115720.db2.gz BAOIDISEUPKBHB-HNNXBMFYSA-N 0 0 393.512 4.509 50 0 GJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)F)cc2)c1 ZINC000011513394 221115744 /nfs/dbraw/zinc/11/57/44/221115744.db2.gz HQFXAFFNUJTKEU-UHFFFAOYSA-N 0 0 392.402 4.565 50 0 GJAARN COc1cc(OC)c(NC(=O)c2ccc(COc3ccccc3)o2)cc1Cl ZINC000011601248 221117401 /nfs/dbraw/zinc/11/74/01/221117401.db2.gz SNMMVQWJXYIBGR-UHFFFAOYSA-N 0 0 387.819 4.782 50 0 GJAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000011667295 221120666 /nfs/dbraw/zinc/12/06/66/221120666.db2.gz DMRBOMNZDZPSSH-CQSZACIVSA-N 0 0 379.847 4.822 50 0 GJAARN CC[C@H](C(=O)Nc1cccc(-c2cn3nc(OC)ccc3n2)c1)c1ccccc1 ZINC000011693393 221121718 /nfs/dbraw/zinc/12/17/18/221121718.db2.gz BLNJJHZAJNCPGQ-IBGZPJMESA-N 0 0 386.455 4.537 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c12 ZINC000012017949 221142912 /nfs/dbraw/zinc/14/29/12/221142912.db2.gz JTKOJANKSGBUKH-UHFFFAOYSA-N 0 0 398.875 4.793 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)ncn1 ZINC000012016759 221144002 /nfs/dbraw/zinc/14/40/02/221144002.db2.gz SEZKVIBSGKKZGL-CYBMUJFWSA-N 0 0 399.903 4.925 50 0 GJAARN O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000012062480 221146824 /nfs/dbraw/zinc/14/68/24/221146824.db2.gz HNRFISSDIAUUGI-UHFFFAOYSA-N 0 0 393.826 4.882 50 0 GJAARN Cc1c([C@H](C)NCc2cccc3c2OCO3)cnn1-c1cccc2ccccc21 ZINC000012073893 221146857 /nfs/dbraw/zinc/14/68/57/221146857.db2.gz ASEPRTYQJJZOGK-INIZCTEOSA-N 0 0 385.467 4.913 50 0 GJAARN COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(C)cc1 ZINC000012062691 221146993 /nfs/dbraw/zinc/14/69/93/221146993.db2.gz WXQGTQNQGAHPRF-BUHFOSPRSA-N 0 0 398.399 4.877 50 0 GJAARN O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1ccc(F)cc1F)CCO2 ZINC000012124846 221156456 /nfs/dbraw/zinc/15/64/56/221156456.db2.gz UXACFGDPCHXTOY-HSZRJFAPSA-N 0 0 395.449 4.636 50 0 GJAARN CCn1c2ccc(C)cc2s/c1=N/C(=O)c1ccc(Br)s1 ZINC000012180862 221161111 /nfs/dbraw/zinc/16/11/11/221161111.db2.gz KNRYZVWIJLNNLC-BMRADRMJSA-N 0 0 381.320 4.596 50 0 GJAARN Cc1ccc(C(=O)N(Cc2cccc(OCc3ccccn3)c2)C2CC2)s1 ZINC000012152606 221160382 /nfs/dbraw/zinc/16/03/82/221160382.db2.gz UQSZTNDLWMQJCZ-UHFFFAOYSA-N 0 0 378.497 4.835 50 0 GJAARN CN(CCC1CCOCC1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000011880083 221135402 /nfs/dbraw/zinc/13/54/02/221135402.db2.gz BVFJLMAACQSRQX-UHFFFAOYSA-N 0 0 382.435 4.523 50 0 GJAARN COc1ccc(N(Cc2cccs2)C(=O)COc2c(C)cccc2C)cc1 ZINC000011916544 221136462 /nfs/dbraw/zinc/13/64/62/221136462.db2.gz GJXGGENDTSZWGR-UHFFFAOYSA-N 0 0 381.497 4.986 50 0 GJAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000012298643 221175964 /nfs/dbraw/zinc/17/59/64/221175964.db2.gz NISROCCTQBAWJC-KRWDZBQOSA-N 0 0 393.512 4.553 50 0 GJAARN CSc1ncccc1C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000012303436 221177888 /nfs/dbraw/zinc/17/78/88/221177888.db2.gz SALZZJTVPVHPNY-LJQANCHMSA-N 0 0 390.508 4.692 50 0 GJAARN O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCC[C@H]1c1ccccn1 ZINC000012301507 221177902 /nfs/dbraw/zinc/17/79/02/221177902.db2.gz XSBYRBXQMZBWRH-QFIPXVFZSA-N 0 0 397.478 4.985 50 0 GJAARN Fc1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn32)c1F ZINC000012322887 221181166 /nfs/dbraw/zinc/18/11/66/221181166.db2.gz XOKWNJPTDZRSFI-UHFFFAOYSA-N 0 0 393.216 4.561 50 0 GJAARN O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(c1cccnc1)CO3 ZINC000012324830 221183151 /nfs/dbraw/zinc/18/31/51/221183151.db2.gz MMABOUHUKKXKKM-UHFFFAOYSA-N 0 0 390.826 4.865 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC(C)CC2)cc1C ZINC000012437926 221193727 /nfs/dbraw/zinc/19/37/27/221193727.db2.gz CPBFZGWTFKOQHS-UHFFFAOYSA-N 0 0 394.540 4.921 50 0 GJAARN Cc1cc(NC(=O)c2cccs2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442052 221194835 /nfs/dbraw/zinc/19/48/35/221194835.db2.gz RDEAFECDFFJASR-UHFFFAOYSA-N 0 0 384.461 4.757 50 0 GJAARN Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3CC34CCCCC4)CC2)c1 ZINC000012440590 221195237 /nfs/dbraw/zinc/19/52/37/221195237.db2.gz LFOXNMAHXYYOHN-OAQYLSRUSA-N 0 0 382.548 4.923 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000012440834 221195876 /nfs/dbraw/zinc/19/58/76/221195876.db2.gz SNLHJLIBYPABKI-UHFFFAOYSA-N 0 0 379.504 4.912 50 0 GJAARN Cc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(C(C)C)cs3)N3CCC[C@@]23C1=O ZINC000012459658 221198434 /nfs/dbraw/zinc/19/84/34/221198434.db2.gz NSMOHSPTSIUGFI-LEDOBFOHSA-N 0 0 395.572 4.513 50 0 GJAARN CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1 ZINC000012459720 221198703 /nfs/dbraw/zinc/19/87/03/221198703.db2.gz GJYDKQRFUWKACK-KRWDZBQOSA-N 0 0 379.481 4.890 50 0 GJAARN CN(C(=O)Nc1ccc(Cl)cc1)[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012507358 221199965 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O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(C(F)(F)F)cc1 ZINC000013007779 221256863 /nfs/dbraw/zinc/25/68/63/221256863.db2.gz YLBPNYTVVKOYIL-UHFFFAOYSA-N 0 0 385.769 4.701 50 0 GJAARN C[C@H](SCc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013012603 221257927 /nfs/dbraw/zinc/25/79/27/221257927.db2.gz LUSFZOMYSZFJPY-HNNXBMFYSA-N 0 0 379.481 4.871 50 0 GJAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccccc1Oc1ccccc1 ZINC000013100346 221261067 /nfs/dbraw/zinc/26/10/67/221261067.db2.gz WJIDUVBGLZZTPO-JWGURIENSA-N 0 0 387.435 4.699 50 0 GJAARN Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000013122581 221262100 /nfs/dbraw/zinc/26/21/00/221262100.db2.gz LQQXZIJRHRFAGZ-FCHUYYIVSA-N 0 0 398.491 4.861 50 0 aggregator GJAARN CCOCCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000013207028 221263127 /nfs/dbraw/zinc/26/31/27/221263127.db2.gz ZWEJLIYBLGQAKF-UHFFFAOYSA-N 0 0 398.507 4.584 50 0 GJAARN COc1ccc(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn32)cc1 ZINC000013364737 221267068 /nfs/dbraw/zinc/26/70/68/221267068.db2.gz XBPMRNDRTBTLFC-UHFFFAOYSA-N 0 0 389.503 4.653 50 0 GJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1nccs1)occ3C(C)(C)C ZINC000013623829 221277206 /nfs/dbraw/zinc/27/72/06/221277206.db2.gz ZJNHLWQOIVGCLL-UHFFFAOYSA-N 0 0 396.468 4.783 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccc(F)c1 ZINC000013758759 221288166 /nfs/dbraw/zinc/28/81/66/221288166.db2.gz BCKNYLRTWVRYAH-BGWNEDDSSA-N 0 0 397.490 4.733 50 0 GJAARN O=c1oc2c(ccc3c2CN(Cc2ccco2)CO3)cc1-c1ccc(F)cc1 ZINC000013729374 221286117 /nfs/dbraw/zinc/28/61/17/221286117.db2.gz SOFFSTGKQGTMOO-UHFFFAOYSA-N 0 0 377.371 4.544 50 0 GJAARN O=c1/c(=C\c2ccccc2F)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000013739150 221286592 /nfs/dbraw/zinc/28/65/92/221286592.db2.gz YPLBLUSHGBITRG-HMMYKYKNSA-N 0 0 398.462 4.777 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013844494 221291891 /nfs/dbraw/zinc/29/18/91/221291891.db2.gz FENZBPPBBCSJAI-UHFFFAOYSA-N 0 0 396.849 4.590 50 0 GJAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)c1ccccc1Cl ZINC000014135657 221299603 /nfs/dbraw/zinc/29/96/03/221299603.db2.gz VJXJPZYBXAYCEV-OAHLLOKOSA-N 0 0 399.947 4.969 50 0 GJAARN Cn1c(C[C@@H](NC(=O)c2cccc(Cl)c2)c2ccccc2)nc2ccccc21 ZINC000014129773 221300263 /nfs/dbraw/zinc/30/02/63/221300263.db2.gz UIRVYNSPZSOFSA-HXUWFJFHSA-N 0 0 389.886 4.941 50 0 GJAARN CC1CCN(Cc2csc(NC(=O)Cc3ccc(Cl)cc3Cl)n2)CC1 ZINC000014167088 221300496 /nfs/dbraw/zinc/30/04/96/221300496.db2.gz PDZFXDIFSYUZJC-UHFFFAOYSA-N 0 0 398.359 4.863 50 0 GJAARN OC(=C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000014187870 221302525 /nfs/dbraw/zinc/30/25/25/221302525.db2.gz NUTRWMXDHCMZGE-INIZCTEOSA-N 0 0 385.794 4.973 50 0 GJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3nc(C(C)(C)C)cs3)c12 ZINC000014180577 221302744 /nfs/dbraw/zinc/30/27/44/221302744.db2.gz NDCNNOIJJCTROU-UHFFFAOYSA-N 0 0 395.488 4.543 50 0 GJAARN COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cc(C)ccc3C)cs2)cc1 ZINC000014189595 221303678 /nfs/dbraw/zinc/30/36/78/221303678.db2.gz SBXBZUCTSXPHFV-INIZCTEOSA-N 0 0 380.513 4.855 50 0 GJAARN C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl ZINC000014230638 221306168 /nfs/dbraw/zinc/30/61/68/221306168.db2.gz MNIVNWAOCBTVJS-CQSZACIVSA-N 0 0 383.879 4.575 50 0 GJAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SC[C@@H]1CCCO1 ZINC000014246493 221307081 /nfs/dbraw/zinc/30/70/81/221307081.db2.gz ODBPYJFYFOOYSP-HNNXBMFYSA-N 0 0 398.553 4.840 50 0 GJAARN CCOc1ccccc1-c1noc(COc2ccc(Br)cc2F)n1 ZINC000014318049 221308380 /nfs/dbraw/zinc/30/83/80/221308380.db2.gz JWSDSGWDFAEVQY-UHFFFAOYSA-N 0 0 393.212 4.616 50 0 GJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nccs3)[C@@H]2c2cccs2)cc1 ZINC000014461720 221310902 /nfs/dbraw/zinc/31/09/02/221310902.db2.gz HWNCVEKYSJCUMN-MAUKXSAKSA-N 0 0 397.525 4.636 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)C2CCC2)CC1 ZINC000014979141 221323178 /nfs/dbraw/zinc/32/31/78/221323178.db2.gz FLSGAZOAPAEQFN-UHFFFAOYSA-N 0 0 396.462 4.595 50 0 GJAARN COc1ccc(CCC(=O)N(c2nc(C)cs2)c2ccccc2)cc1OC ZINC000014586580 221312477 /nfs/dbraw/zinc/31/24/77/221312477.db2.gz ACRMKXDIAYWWEQ-UHFFFAOYSA-N 0 0 382.485 4.766 50 0 GJAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)CCc2ccccc2)cc1 ZINC000014610576 221313155 /nfs/dbraw/zinc/31/31/55/221313155.db2.gz HRLJAFMGTMRSTO-UHFFFAOYSA-N 0 0 386.455 4.732 50 0 GJAARN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)cc1 ZINC000014609633 221313544 /nfs/dbraw/zinc/31/35/44/221313544.db2.gz MXRUMORGMDHURQ-UHFFFAOYSA-N 0 0 398.466 4.894 50 0 GJAARN Cc1cc2ccccc2n1CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000014671154 221314612 /nfs/dbraw/zinc/31/46/12/221314612.db2.gz VJJPUGVBYHPCFC-UHFFFAOYSA-N 0 0 383.423 4.990 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000014854106 221317662 /nfs/dbraw/zinc/31/76/62/221317662.db2.gz MUUNKBAZSUZKGH-GFCCVEGCSA-N 0 0 387.407 4.825 50 0 GJAARN COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)Cc1ccsc1)C2 ZINC000014881047 221317946 /nfs/dbraw/zinc/31/79/46/221317946.db2.gz CUATWIGJLKNXGV-UHFFFAOYSA-N 0 0 393.508 4.696 50 0 GJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000014899898 221319313 /nfs/dbraw/zinc/31/93/13/221319313.db2.gz YUVMYYMQARQPSD-HNNXBMFYSA-N 0 0 391.298 4.543 50 0 GJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccc(O)c2)cc1OC ZINC000015106509 221332673 /nfs/dbraw/zinc/33/26/73/221332673.db2.gz JTSHXFVOZOYGMM-HNNXBMFYSA-N 0 0 381.453 4.612 50 0 GJAARN Cc1nc(NC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)sc1C ZINC000015321746 221334815 /nfs/dbraw/zinc/33/48/15/221334815.db2.gz JVFFQVBMPLWRDR-ZHACJKMWSA-N 0 0 380.517 4.582 50 0 GJAARN CCN(C(=O)CNc1ccc(Br)cc1)c1nc2ccccc2s1 ZINC000015376515 221334995 /nfs/dbraw/zinc/33/49/95/221334995.db2.gz QPXJCFKWURIQCE-UHFFFAOYSA-N 0 0 390.306 4.524 50 0 GJAARN Cc1n[nH]c(C)c1CN(C)C(=O)C[C@@H](c1cccc(Cl)c1)c1ccccc1O ZINC000015076950 221331627 /nfs/dbraw/zinc/33/16/27/221331627.db2.gz PGBBQIGXQKPBPR-IBGZPJMESA-N 0 0 397.906 4.566 50 0 GJAARN CCCN(C(=O)c1nn(C)c2c1COc1ccccc1-2)c1cccc(Cl)c1 ZINC000015674211 221338696 /nfs/dbraw/zinc/33/86/96/221338696.db2.gz OXTMXECYMGDMIP-UHFFFAOYSA-N 0 0 381.863 4.690 50 0 GJAARN CCc1cccc(C)c1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000015669618 221339240 /nfs/dbraw/zinc/33/92/40/221339240.db2.gz QCRYNXNRCASIHS-UHFFFAOYSA-N 0 0 379.460 4.577 50 0 GJAARN CN(C(=O)COc1ccc(F)cc1)[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670858 221339354 /nfs/dbraw/zinc/33/93/54/221339354.db2.gz SBVIQLKIJUMPBB-XMMPIXPASA-N 0 0 388.442 4.934 50 0 GJAARN Cc1ccc(CNC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015721491 221341398 /nfs/dbraw/zinc/34/13/98/221341398.db2.gz OMROCJDBCKKTBM-DEOSSOPVSA-N 0 0 398.506 4.707 50 0 GJAARN C[C@@H](Oc1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1 ZINC000015729871 221341794 /nfs/dbraw/zinc/34/17/94/221341794.db2.gz FWFZJMTVEMBOSO-CQSZACIVSA-N 0 0 390.443 4.635 50 0 GJAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1cccc(F)c1 ZINC000015721007 221341884 /nfs/dbraw/zinc/34/18/84/221341884.db2.gz ZWUVIVODJMKKTG-NRFANRHFSA-N 0 0 392.405 4.691 50 0 GJAARN Cc1nn2c(ncc(C(=O)NCCCc3ccccc3)c2C)c1-c1cccc(C)c1 ZINC000015733099 221342279 /nfs/dbraw/zinc/34/22/79/221342279.db2.gz AHHIJBJTKOXDLZ-UHFFFAOYSA-N 0 0 398.510 4.684 50 0 GJAARN O=C(c1ccc2c(c1)nc1n2CCCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000015786943 221346180 /nfs/dbraw/zinc/34/61/80/221346180.db2.gz NDSRWQJCNRBTML-UHFFFAOYSA-N 0 0 387.527 4.858 50 0 GJAARN CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000015836339 221346825 /nfs/dbraw/zinc/34/68/25/221346825.db2.gz LVWWWCIOTIKXLZ-YVLHZVERSA-N 0 0 389.860 4.988 50 0 GJAARN Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3O)nc2c1 ZINC000015833169 221346861 /nfs/dbraw/zinc/34/68/61/221346861.db2.gz QKUOBJJXNAHRJT-UHFFFAOYSA-N 0 0 388.423 4.835 50 0 GJAARN Cc1ccc(C)c([C@H](NC(=O)c2ccccc2Br)c2cccnc2)c1 ZINC000015839844 221347678 /nfs/dbraw/zinc/34/76/78/221347678.db2.gz BAPGPJVVSMXFMH-HXUWFJFHSA-N 0 0 395.300 4.980 50 0 GJAARN CCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c2cccnc12 ZINC000015841017 221347975 /nfs/dbraw/zinc/34/79/75/221347975.db2.gz BNUWEYYPWIBQOQ-IBGZPJMESA-N 0 0 382.435 4.959 50 0 GJAARN Cc1ccc(O)c(-n2cc3c(c(=O)n(-c4ccccc4)n3C)c2-c2ccccc2)c1 ZINC000015858709 221348485 /nfs/dbraw/zinc/34/84/85/221348485.db2.gz LDEBYJQFUVNXBF-UHFFFAOYSA-N 0 0 395.462 4.801 50 0 GJAARN Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N(C)C)o1 ZINC000015860349 221348834 /nfs/dbraw/zinc/34/88/34/221348834.db2.gz HAGQEQUVZPKEKR-AWEZNQCLSA-N 0 0 376.909 4.797 50 0 GJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)c2ccccc2C)c1C ZINC000015865610 221349699 /nfs/dbraw/zinc/34/96/99/221349699.db2.gz DHWXDQTYJNJXDL-UHFFFAOYSA-N 0 0 394.471 4.552 50 0 GJAARN Cc1cccc(OCC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1 ZINC000015863707 221349770 /nfs/dbraw/zinc/34/97/70/221349770.db2.gz OSXRZTPAJZSOCS-UHFFFAOYSA-N 0 0 399.494 4.684 50 0 GJAARN COc1cccc(C(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)c1 ZINC000015863568 221350242 /nfs/dbraw/zinc/35/02/42/221350242.db2.gz LPRSXMIKFSZVCB-UHFFFAOYSA-N 0 0 385.467 4.917 50 0 GJAARN CC(CNC(=O)c1cncc(Br)c1)(c1ccccc1)c1ccccc1 ZINC000016176689 221358690 /nfs/dbraw/zinc/35/86/90/221358690.db2.gz NQOIJVIZFGGWGV-UHFFFAOYSA-N 0 0 395.300 4.580 50 0 GJAARN CC(CNC(=O)c1cc2ccccc2oc1=O)(c1ccccc1)c1ccccc1 ZINC000016176695 221358725 /nfs/dbraw/zinc/35/87/25/221358725.db2.gz NPNPSLQEXBUNSD-UHFFFAOYSA-N 0 0 383.447 4.529 50 0 GJAARN CCc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 ZINC000016331403 221360952 /nfs/dbraw/zinc/36/09/52/221360952.db2.gz NWVWGWRRQAYINJ-ATVHPVEESA-N 0 0 383.904 4.767 50 0 GJAARN CC(C)CC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 ZINC000016331444 221361001 /nfs/dbraw/zinc/36/10/01/221361001.db2.gz BJUJSEHOCMBFDW-UHFFFAOYSA-N 0 0 390.512 4.893 50 0 GJAARN Fc1ccc(CSc2nncn2NCc2ccc(Cl)cc2Cl)cc1 ZINC000016401891 221361832 /nfs/dbraw/zinc/36/18/32/221361832.db2.gz DDCZLRXLUXYOHR-UHFFFAOYSA-N 0 0 383.279 4.760 50 0 GJAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1-c1ccccc1 ZINC000015942575 221353823 /nfs/dbraw/zinc/35/38/23/221353823.db2.gz FQACPAJRHJWATM-UHFFFAOYSA-N 0 0 382.891 4.778 50 0 GJAARN Cc1cccc(NC(=O)COc2cccc3ccc(N4CCCCC4)nc32)c1 ZINC000017123200 221380074 /nfs/dbraw/zinc/38/00/74/221380074.db2.gz ZIXBFCYCPXMIKK-UHFFFAOYSA-N 0 0 375.472 4.551 50 0 GJAARN Clc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200378 221380534 /nfs/dbraw/zinc/38/05/34/221380534.db2.gz CYSLSGBAGACZPL-UHFFFAOYSA-N 0 0 390.878 4.813 50 0 GJAARN Cc1cccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1C ZINC000017251506 221382601 /nfs/dbraw/zinc/38/26/01/221382601.db2.gz BUMTVNHRVFIAIM-UHFFFAOYSA-N 0 0 386.521 4.560 50 0 GJAARN Cc1nc(-c2cccs2)sc1C(=O)N(C)CC(=O)Nc1cc(C)ccc1C ZINC000017341897 221383357 /nfs/dbraw/zinc/38/33/57/221383357.db2.gz FXBRIINGLIXVIR-UHFFFAOYSA-N 0 0 399.541 4.508 50 0 GJAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 ZINC000016751223 221371120 /nfs/dbraw/zinc/37/11/20/221371120.db2.gz OLKCLFYEZNVKNX-FQEVSTJZSA-N 0 0 377.440 4.537 50 0 GJAARN COc1ccc(CCCN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC ZINC000017743764 221384646 /nfs/dbraw/zinc/38/46/46/221384646.db2.gz UQHJONCBTLCLOP-UHFFFAOYSA-N 0 0 376.884 4.762 50 0 GJAARN Clc1cccc(CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)c1 ZINC000017076883 221375773 /nfs/dbraw/zinc/37/57/73/221375773.db2.gz JEZXNOUCSWCNAY-HNNXBMFYSA-N 0 0 375.881 4.663 50 0 GJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000018009382 221386561 /nfs/dbraw/zinc/38/65/61/221386561.db2.gz AGVMVXLZLMAJHB-UHFFFAOYSA-N 0 0 377.271 4.614 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000018256109 221391575 /nfs/dbraw/zinc/39/15/75/221391575.db2.gz OMYZSEWCIAOYNJ-MYNGYRLFSA-N 0 0 399.877 4.732 50 0 GJAARN O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000019791791 221454546 /nfs/dbraw/zinc/45/45/46/221454546.db2.gz NQJZZWNVXJITGS-GUSDSWBTSA-N 0 0 398.871 4.571 50 0 GJAARN Cc1nn2c(ncc3c2ccn(-c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000019818795 221455668 /nfs/dbraw/zinc/45/56/68/221455668.db2.gz RVSSPUCISZTLCO-UHFFFAOYSA-N 0 0 386.842 4.662 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911383 221463965 /nfs/dbraw/zinc/46/39/65/221463965.db2.gz USEXKYHCPLRPPR-UHFFFAOYSA-N 0 0 386.402 4.553 50 0 GJAARN Cc1ccc([C@H](CC(=O)NC2CCCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000020561790 221500425 /nfs/dbraw/zinc/50/04/25/221500425.db2.gz RMMFHQQGEKXXTA-QHCPKHFHSA-N 0 0 390.527 4.921 50 0 GJAARN Cc1ccc2c(=O)cc(C(=O)N3CCC(Cc4ccccc4)CC3)oc2c1C ZINC000021148567 221527833 /nfs/dbraw/zinc/52/78/33/221527833.db2.gz VBXDVQIVYDFKAI-UHFFFAOYSA-N 0 0 375.468 4.505 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(C)c1)SCC(=O)N2 ZINC000020891749 221516240 /nfs/dbraw/zinc/51/62/40/221516240.db2.gz KIEKGDLPRGMMTP-LJQANCHMSA-N 0 0 383.904 4.917 50 0 GJAARN Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)c1 ZINC000040098889 132395534 /nfs/dbraw/zinc/39/55/34/132395534.db2.gz PHVMEPUUXQDFLA-UHFFFAOYSA-N 0 0 385.511 4.940 50 0 GJAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4F)ccc32)cc1 ZINC000046078553 132426092 /nfs/dbraw/zinc/42/60/92/132426092.db2.gz IGKVVUAEAAMVEZ-UHFFFAOYSA-N 0 0 388.442 4.979 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(C)cc1 ZINC000064459695 136156817 /nfs/dbraw/zinc/15/68/17/136156817.db2.gz XFPGCXUFZPSPLV-CQSZACIVSA-N 0 0 380.517 4.797 50 0 GJAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cs2)s1 ZINC000064676463 136157402 /nfs/dbraw/zinc/15/74/02/136157402.db2.gz CXTZCWPKLJRTHB-UHFFFAOYSA-N 0 0 397.569 4.759 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccccc4)n3)C2)cc1C ZINC000064929137 136158233 /nfs/dbraw/zinc/15/82/33/136158233.db2.gz QOHHSJYXUBWGEX-HXUWFJFHSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)Nc4cccc(C)c4)C3)nc2)cc1 ZINC000065023318 136158623 /nfs/dbraw/zinc/15/86/23/136158623.db2.gz QCMJTWNRAWITHR-HXUWFJFHSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1cc(SCC(=O)N2CCCc3ccccc32)nc(-c2cccc(F)c2)n1 ZINC000067257261 136164466 /nfs/dbraw/zinc/16/44/66/136164466.db2.gz ZUPHCYBVFOKSER-UHFFFAOYSA-N 0 0 393.487 4.663 50 0 GJAARN CC[C@H]1CCCCN1c1cc(SCC(=O)Nc2cccc(C)c2C)ncn1 ZINC000067255875 136164508 /nfs/dbraw/zinc/16/45/08/136164508.db2.gz GZTXJLVLNDTGED-KRWDZBQOSA-N 0 0 384.549 4.593 50 0 GJAARN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 ZINC000072309225 136168074 /nfs/dbraw/zinc/16/80/74/136168074.db2.gz CEAFRWHQIIBVEA-NRFANRHFSA-N 0 0 394.515 4.877 50 0 GJAARN CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000072324938 136168292 /nfs/dbraw/zinc/16/82/92/136168292.db2.gz QWNKCIOVTYAJMU-OAQYLSRUSA-N 0 0 376.500 4.658 50 0 biogenic GJAARN OCC1CCN(c2ccccc2NCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000089814379 136175623 /nfs/dbraw/zinc/17/56/23/136175623.db2.gz IJZKIADJFORQPH-UHFFFAOYSA-N 0 0 397.906 4.816 50 0 GJAARN O=C(Nc1ccncc1N1CCCCC1)c1cc(Cl)ccc1Br ZINC000096013659 136183223 /nfs/dbraw/zinc/18/32/23/136183223.db2.gz OFJRADYNGSULMQ-UHFFFAOYSA-N 0 0 394.700 4.740 50 0 GJAARN CN(Cc1ccccc1)C(=O)CCC1CCN(c2ccc3ccccc3n2)CC1 ZINC000096152275 136184434 /nfs/dbraw/zinc/18/44/34/136184434.db2.gz QGBSIDLRKJBYLZ-UHFFFAOYSA-N 0 0 387.527 4.890 50 0 GJAARN O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCCc2ccccc21 ZINC000004355590 136193849 /nfs/dbraw/zinc/19/38/49/136193849.db2.gz ZMCMBPNKIDQWJR-UHFFFAOYSA-N 0 0 395.915 4.869 50 0 GJAARN CCOc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000006820378 136195237 /nfs/dbraw/zinc/19/52/37/136195237.db2.gz LHKGHZZXQXRRGS-UHFFFAOYSA-N 0 0 382.504 4.873 50 0 GJAARN C[C@H](Sc1c(Cl)cccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 ZINC000007187531 136195270 /nfs/dbraw/zinc/19/52/70/136195270.db2.gz LKUZGQXVNRZILW-AWEZNQCLSA-N 0 0 395.355 4.823 50 0 GJAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)C2=CNc1ccccc1 ZINC000102977929 136196515 /nfs/dbraw/zinc/19/65/15/136196515.db2.gz LZEVBKVARAPFAQ-PXLXIMEGSA-N 0 0 398.462 4.952 50 0 GJAARN COc1ccc(NC(=O)[C@H](C)SC2=Nc3ccccc3CS2)cc1OC ZINC000022022507 221550337 /nfs/dbraw/zinc/55/03/37/221550337.db2.gz BGPZQSWOIDTJTC-LBPRGKRZSA-N 0 0 388.514 4.699 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 ZINC000022245891 221556867 /nfs/dbraw/zinc/55/68/67/221556867.db2.gz FZVAFQMEEVLCBX-UHFFFAOYSA-N 0 0 387.436 4.604 50 0 GJAARN Cc1nc2sc([C@H](c3ccccc3Cl)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000022626522 221565538 /nfs/dbraw/zinc/56/55/38/221565538.db2.gz DMOMWXGJLHUGAR-MKBNYLNASA-N 0 0 390.940 4.526 50 0 GJAARN O=C(Nc1ccc(CNc2nc(-c3ccncc3)nc3ccccc32)cc1)C1CC1 ZINC000023076318 221580352 /nfs/dbraw/zinc/58/03/52/221580352.db2.gz OLHJYJGECKNGCL-UHFFFAOYSA-N 0 0 395.466 4.652 50 0 GJAARN COc1cccc([C@@H](C)NC(=O)c2sc3cc4c(cc3c2Cl)OCO4)c1 ZINC000023330711 221591942 /nfs/dbraw/zinc/59/19/42/221591942.db2.gz FWFIAMZNRLLZDA-SNVBAGLBSA-N 0 0 389.860 4.783 50 0 GJAARN C[C@H]1c2ccsc2CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000023908962 221605828 /nfs/dbraw/zinc/60/58/28/221605828.db2.gz QNQUKUJZDGHTGO-ZDUSSCGKSA-N 0 0 393.537 4.832 50 0 GJAARN Cc1cc(CN(C)C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)no1 ZINC000025137574 221625308 /nfs/dbraw/zinc/62/53/08/221625308.db2.gz DQCVACFMSQISNV-UHFFFAOYSA-N 0 0 387.439 4.886 50 0 GJAARN Cc1noc(C)c1CCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000025092772 221626184 /nfs/dbraw/zinc/62/61/84/221626184.db2.gz HCICVZWEJDHMMB-UHFFFAOYSA-N 0 0 378.432 4.507 50 0 GJAARN COCCCn1c(C)cc(C(=O)CSc2nccn2-c2cccc(C)c2)c1C ZINC000025256198 221628225 /nfs/dbraw/zinc/62/82/25/221628225.db2.gz QYRDXWSCYBPVAK-UHFFFAOYSA-N 0 0 397.544 4.611 50 0 GJAARN CCSc1ncc(Br)c(C(=O)Nc2cccc3ccccc32)n1 ZINC000027741847 221659698 /nfs/dbraw/zinc/65/96/98/221659698.db2.gz NKKVIABOGAMAKL-UHFFFAOYSA-N 0 0 388.290 4.757 50 0 GJAARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4cccc(Br)c4)no3)ccc2O1 ZINC000028286966 221672981 /nfs/dbraw/zinc/67/29/81/221672981.db2.gz IYIZNJNOBPPJMD-NSHDSACASA-N 0 0 399.244 4.680 50 0 GJAARN Cc1cccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 ZINC000028289658 221673870 /nfs/dbraw/zinc/67/38/70/221673870.db2.gz YLLCGMMVAMDKNM-UHFFFAOYSA-N 0 0 384.838 4.795 50 0 GJAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2ccccc2c1 ZINC000031405298 221709560 /nfs/dbraw/zinc/70/95/60/221709560.db2.gz UVBAIJIJUPXZHI-OXQOHEQNSA-N 0 0 392.524 4.631 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1sc2nc(C)nc(C)c2c1C ZINC000032754616 221731563 /nfs/dbraw/zinc/73/15/63/221731563.db2.gz QWIVMPPMTWTLAD-UHFFFAOYSA-N 0 0 391.500 4.671 50 0 GJAARN O=C(Nc1ccccc1N1CCCN(Cc2ccccc2)C1=O)c1ccccc1 ZINC000034734903 221802697 /nfs/dbraw/zinc/80/26/97/221802697.db2.gz LJODCSNESMBKMF-UHFFFAOYSA-N 0 0 385.467 4.771 50 0 GJAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1F)O[C@@H](C)C2 ZINC000032854023 221742662 /nfs/dbraw/zinc/74/26/62/221742662.db2.gz GLJIJKKUWKARNG-RYUDHWBXSA-N 0 0 392.858 4.640 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000032872071 221744747 /nfs/dbraw/zinc/74/47/47/221744747.db2.gz QFNHBGJLMNVHIY-OAHLLOKOSA-N 0 0 397.906 4.780 50 0 GJAARN C[C@@](Cc1nc2ccccc2s1)(C(=O)NCc1ccccn1)c1ccccc1 ZINC000032901478 221745537 /nfs/dbraw/zinc/74/55/37/221745537.db2.gz MIWJJGPHAJUYFD-QHCPKHFHSA-N 0 0 387.508 4.508 50 0 GJAARN COc1ccc(COC(=O)c2c3ccccc3nc3c2C[C@@H](C)CC3)cc1F ZINC000032910232 221748379 /nfs/dbraw/zinc/74/83/79/221748379.db2.gz FPPNWYXLOUYPRU-AWEZNQCLSA-N 0 0 379.431 4.864 50 0 GJAARN COc1ccc(NC(=O)c2csc(-c3ccccc3OC(C)C)n2)c(OC)c1 ZINC000034723178 221803112 /nfs/dbraw/zinc/80/31/12/221803112.db2.gz PAYOHORKJAFCKU-UHFFFAOYSA-N 0 0 398.484 4.867 50 0 GJAARN Cc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000032950692 221755231 /nfs/dbraw/zinc/75/52/31/221755231.db2.gz OMJLBIFXPHYDRN-UHFFFAOYSA-N 0 0 388.446 4.973 50 0 GJAARN CCC(=O)Nc1nc2c(cc(NC(=O)c3ccccc3Cl)cc2OC)s1 ZINC000032961273 221758016 /nfs/dbraw/zinc/75/80/16/221758016.db2.gz QEVHNQNDTLZGOI-UHFFFAOYSA-N 0 0 389.864 4.559 50 0 GJAARN CCCOc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1OC ZINC000034712556 221803827 /nfs/dbraw/zinc/80/38/27/221803827.db2.gz BMRDAIBFAFUIDI-UHFFFAOYSA-N 0 0 386.448 4.999 50 0 GJAARN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)Nc1cc(Cl)ccc1C ZINC000033312519 221786081 /nfs/dbraw/zinc/78/60/81/221786081.db2.gz OOJNTOXWJLALLY-UHFFFAOYSA-N 0 0 386.908 4.814 50 0 GJAARN O=C(COc1ccccc1-c1noc(-c2ccco2)n1)Nc1cccc(Cl)c1 ZINC000033325038 221788591 /nfs/dbraw/zinc/78/85/91/221788591.db2.gz DRRZWSVFUWHUSW-UHFFFAOYSA-N 0 0 395.802 4.668 50 0 GJAARN COc1ccccc1/C=C\C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000033652926 221795805 /nfs/dbraw/zinc/79/58/05/221795805.db2.gz NRTQRNXRECPMHY-GDNBJRDFSA-N 0 0 376.383 4.684 50 0 GJAARN COc1ccc(CC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000034909404 221810098 /nfs/dbraw/zinc/81/00/98/221810098.db2.gz RZUMTQIYKZZZHB-UHFFFAOYSA-N 0 0 390.270 4.677 50 0 GJAARN O=C(c1ccccc1Cl)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399492 221820313 /nfs/dbraw/zinc/82/03/13/221820313.db2.gz QGEQMIWPXATQBO-UHFFFAOYSA-N 0 0 395.865 4.827 50 0 biogenic GJAARN Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cc(F)ccc1F ZINC000038486793 221880508 /nfs/dbraw/zinc/88/05/08/221880508.db2.gz ZNHJIGUXKCWKQA-UHFFFAOYSA-N 0 0 389.818 4.572 50 0 GJAARN Cc1ccc(-c2cc(CN(CC(C)C)S(=O)(=O)c3ccccc3)no2)cc1C ZINC000036012897 221838258 /nfs/dbraw/zinc/83/82/58/221838258.db2.gz WKVZBSZXUWMSNE-UHFFFAOYSA-N 0 0 398.528 4.805 50 0 GJAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C(=O)C2CCCC2)C1 ZINC000036014291 221838720 /nfs/dbraw/zinc/83/87/20/221838720.db2.gz MCASDXDBAONORU-NRFANRHFSA-N 0 0 376.500 4.707 50 0 GJAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246620 221848561 /nfs/dbraw/zinc/84/85/61/221848561.db2.gz OJAWDIXXNFEVRD-GOSISDBHSA-N 0 0 381.497 4.960 50 0 GJAARN O=C(NCCc1ccc(F)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000036395269 221858669 /nfs/dbraw/zinc/85/86/69/221858669.db2.gz CMVMOELLVBBSNX-ZWKOTPCHSA-N 0 0 380.488 4.844 50 0 GJAARN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(F)cc2Br)c1 ZINC000036395519 221858706 /nfs/dbraw/zinc/85/87/06/221858706.db2.gz HKRCSHSZNMFXSS-LBPRGKRZSA-N 0 0 380.257 4.866 50 0 GJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)n1 ZINC000036799568 221868415 /nfs/dbraw/zinc/86/84/15/221868415.db2.gz RBNFPPMRRKLKGS-INIZCTEOSA-N 0 0 382.316 4.767 50 0 GJAARN Cc1cccc(-c2nc(NCC(C)C)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037359865 221869656 /nfs/dbraw/zinc/86/96/56/221869656.db2.gz FGAHCURTVHATPM-UHFFFAOYSA-N 0 0 386.503 4.500 50 0 GJAARN O=C(CNc1ccc(OC(F)F)c(Cl)c1)N[C@H]1CCCc2ccccc21 ZINC000039606331 221892168 /nfs/dbraw/zinc/89/21/68/221892168.db2.gz NRQNRMKCXMHVDU-INIZCTEOSA-N 0 0 380.822 4.547 50 0 GJAARN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000039576971 221892552 /nfs/dbraw/zinc/89/25/52/221892552.db2.gz BJALGHSWGXUFNG-UHFFFAOYSA-N 0 0 393.361 4.764 50 0 GJAARN Cc1nn(-c2ccccn2)c2c1[C@H](c1cc(Cl)ccc1F)SCC(=O)N2 ZINC000044891400 221957142 /nfs/dbraw/zinc/95/71/42/221957142.db2.gz VSBQHJYBLZNMBO-KRWDZBQOSA-N 0 0 388.855 4.792 50 0 GJAARN CCCOc1ccc(S(=O)(=O)N(CC)C2CCCCC2)c2ccccc12 ZINC000041095049 221938177 /nfs/dbraw/zinc/93/81/77/221938177.db2.gz CJTYMFONUOQMOZ-UHFFFAOYSA-N 0 0 375.534 4.972 50 0 GJAARN Cc1nc(C)c([C@@H](C)NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)s1 ZINC000056022810 222024386 /nfs/dbraw/zinc/02/43/86/222024386.db2.gz LPWHWKNAVBDZCR-LLVKDONJSA-N 0 0 389.521 4.746 50 0 GJAARN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000057413206 222031064 /nfs/dbraw/zinc/03/10/64/222031064.db2.gz LSWLFSVCQRROBV-UHFFFAOYSA-N 0 0 379.891 4.825 50 0 GJAARN O=C(Nc1ccc(F)cc1Br)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412631 222031515 /nfs/dbraw/zinc/03/15/15/222031515.db2.gz GPFNZODHYMEQAB-UHFFFAOYSA-N 0 0 394.631 4.884 50 0 GJAARN C[C@@H](N[C@H](c1cccs1)c1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F ZINC000057452027 222033129 /nfs/dbraw/zinc/03/31/29/222033129.db2.gz GZIVWNPYFBUNDP-BLVKFPJESA-N 0 0 390.430 4.872 50 0 GJAARN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)cc1 ZINC000046057423 221971285 /nfs/dbraw/zinc/97/12/85/221971285.db2.gz KKQRCDDKCHARBV-FQEVSTJZSA-N 0 0 387.483 4.614 50 0 GJAARN Cc1cc(SCC(=O)Nc2c(C)cccc2C)nc(-c2ccc(F)cc2)n1 ZINC000057519944 222034904 /nfs/dbraw/zinc/03/49/04/222034904.db2.gz TYWPDDUZPFBSAC-UHFFFAOYSA-N 0 0 381.476 4.939 50 0 GJAARN Cc1ccc(C)n1-c1c(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cnn1C ZINC000048365992 221990386 /nfs/dbraw/zinc/99/03/86/221990386.db2.gz RYRPXHXHBIQMBW-UHFFFAOYSA-N 0 0 391.500 4.512 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)c(C)c1 ZINC000048989314 221992484 /nfs/dbraw/zinc/99/24/84/221992484.db2.gz CKJAVZCJZMCNLF-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccccc1 ZINC000049030284 221996060 /nfs/dbraw/zinc/99/60/60/221996060.db2.gz ABVZGMOLMDJQEB-WOJBJXKFSA-N 0 0 392.499 4.596 50 0 GJAARN Cc1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1 ZINC000049985278 222002325 /nfs/dbraw/zinc/00/23/25/222002325.db2.gz HTWXORJJXWXENX-UHFFFAOYSA-N 0 0 399.878 4.514 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]n2)cc1 ZINC000051315704 222004409 /nfs/dbraw/zinc/00/44/09/222004409.db2.gz ZZSIBFSGKRLTCE-UHFFFAOYSA-N 0 0 389.499 4.570 50 0 GJAARN FC(F)(F)COCCCSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000052890584 222007549 /nfs/dbraw/zinc/00/75/49/222007549.db2.gz TVUNGQWTMNPXTA-UHFFFAOYSA-N 0 0 396.438 4.822 50 0 GJAARN Cc1ccc(C(=O)Nc2cc(NC(=O)[C@H]3CCOC(C)(C)C3)ccc2C)cc1 ZINC000055270628 222017468 /nfs/dbraw/zinc/01/74/68/222017468.db2.gz UDXLFUQHSXFRBM-SFHVURJKSA-N 0 0 380.488 4.699 50 0 GJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccc(F)cc1 ZINC000055236080 222018724 /nfs/dbraw/zinc/01/87/24/222018724.db2.gz OJVBAMPVEVJKKF-UHFFFAOYSA-N 0 0 392.478 4.576 50 0 GJAARN COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)c4ccccc4)ccc23)cc1 ZINC000055396232 222022577 /nfs/dbraw/zinc/02/25/77/222022577.db2.gz WCACUNBWQGGYOW-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 biogenic GJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(C)c4)cc32)cc1 ZINC000064990331 222093717 /nfs/dbraw/zinc/09/37/17/222093717.db2.gz ORYIDNNBMLIIMB-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)Nc3cc(F)ccc3F)cc2c1OC ZINC000065023039 222095352 /nfs/dbraw/zinc/09/53/52/222095352.db2.gz TXPQPPVPLHGZEV-UHFFFAOYSA-N 0 0 392.383 4.619 50 0 GJAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NC4CCCC4)c3)cn2)c1 ZINC000065057945 222096957 /nfs/dbraw/zinc/09/69/57/222096957.db2.gz VUXDRVXYKCGUGS-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN CCOc1ccc(NC(=O)CSc2nccnc2Oc2ccccc2C)cc1 ZINC000065111147 222100912 /nfs/dbraw/zinc/10/09/12/222100912.db2.gz OJNRGMLLMXYYFA-UHFFFAOYSA-N 0 0 395.484 4.707 50 0 GJAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135243 222102113 /nfs/dbraw/zinc/10/21/13/222102113.db2.gz KTQUGBMPHSBPAA-GOSISDBHSA-N 0 0 377.875 4.817 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3cccc(C)c3)C2)cc1 ZINC000065136127 222103023 /nfs/dbraw/zinc/10/30/23/222103023.db2.gz OSLBHVZQZFVUPT-HXUWFJFHSA-N 0 0 393.531 4.644 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccc(C)cc4)n3)C2)s1 ZINC000065148088 222103169 /nfs/dbraw/zinc/10/31/69/222103169.db2.gz IJIWKASTWAZTFR-KRWDZBQOSA-N 0 0 392.528 4.918 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4)n3)C2)cc1F ZINC000065147867 222103722 /nfs/dbraw/zinc/10/37/22/222103722.db2.gz ZBTYJYLOKQAPJF-GOSISDBHSA-N 0 0 390.462 4.688 50 0 GJAARN Cc1ccccc1Nc1nccc([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC000065148159 222103786 /nfs/dbraw/zinc/10/37/86/222103786.db2.gz YHVZKNKNXNDELE-KRWDZBQOSA-N 0 0 392.528 4.539 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148405 222103876 /nfs/dbraw/zinc/10/38/76/222103876.db2.gz CDPVAWQCRTVPAL-INIZCTEOSA-N 0 0 394.425 4.518 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154077 222104803 /nfs/dbraw/zinc/10/48/03/222104803.db2.gz PXWBJTPAPDQJLP-UHFFFAOYSA-N 0 0 388.377 4.736 50 0 GJAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC000065172833 222105950 /nfs/dbraw/zinc/10/59/50/222105950.db2.gz YMXQOHIOECWNLC-UHFFFAOYSA-N 0 0 384.483 4.781 50 0 GJAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000065172789 222106405 /nfs/dbraw/zinc/10/64/05/222106405.db2.gz VOEOZMIFSVSPTF-UHFFFAOYSA-N 0 0 398.466 4.963 50 0 GJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)Nc1cccc(C)c1 ZINC000065194866 222108804 /nfs/dbraw/zinc/10/88/04/222108804.db2.gz HLEFOKKMMVMNFI-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)c(C)c1 ZINC000058009536 222037926 /nfs/dbraw/zinc/03/79/26/222037926.db2.gz TYVSCWSMOMXXTG-DLBZAZTESA-N 0 0 384.545 4.784 50 0 GJAARN CCC[C@@H]1CCCN(C(=O)CCn2c(=S)[nH]nc2-c2cccc(C)c2)CC1 ZINC000058115791 222038871 /nfs/dbraw/zinc/03/88/71/222038871.db2.gz UKBFKNJCFJIYDF-QGZVFWFLSA-N 0 0 386.565 4.735 50 0 GJAARN CCN1CCN(C(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)CC1 ZINC000058130811 222038919 /nfs/dbraw/zinc/03/89/19/222038919.db2.gz JELDVLGTDIEUIR-UHFFFAOYSA-N 0 0 399.947 4.750 50 0 GJAARN COC(=O)Nc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000058159939 222041019 /nfs/dbraw/zinc/04/10/19/222041019.db2.gz IWAFRIWROMDXJK-UHFFFAOYSA-N 0 0 383.448 4.508 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC(F)F ZINC000058139461 222041490 /nfs/dbraw/zinc/04/14/90/222041490.db2.gz XBLAVRRLXGITMA-UHFFFAOYSA-N 0 0 384.382 4.919 50 0 GJAARN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000058305030 222049715 /nfs/dbraw/zinc/04/97/15/222049715.db2.gz FJRXLIOAIYSABX-SUMWQHHRSA-N 0 0 382.485 4.861 50 0 GJAARN O=C(Cc1ccccc1Cl)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000058307458 222049814 /nfs/dbraw/zinc/04/98/14/222049814.db2.gz USSWUBXCGBOCJY-GOSISDBHSA-N 0 0 381.863 4.686 50 0 GJAARN C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)CC1 ZINC000058425991 222052365 /nfs/dbraw/zinc/05/23/65/222052365.db2.gz PMWHVEJTUDQLMK-QMMMGPOBSA-N 0 0 381.133 4.535 50 0 GJAARN O=C(NCc1ccccc1-n1cccn1)c1ccc(C2SCCCS2)cc1 ZINC000058429538 222052502 /nfs/dbraw/zinc/05/25/02/222052502.db2.gz BAXSPVFKVVENET-UHFFFAOYSA-N 0 0 395.553 4.671 50 0 GJAARN O[C@@H](CNc1nc(C2CC2)nc2scc(-c3ccccc3)c21)C(F)(F)F ZINC000058541893 222054916 /nfs/dbraw/zinc/05/49/16/222054916.db2.gz VAEULYVCIFYGCC-ZDUSSCGKSA-N 0 0 379.407 4.571 50 0 GJAARN COc1c(C)cnc(CN(C)C(=O)c2cc(C(C)C)nc3ccccc32)c1C ZINC000058957998 222056793 /nfs/dbraw/zinc/05/67/93/222056793.db2.gz LGRFKLLMKLGOKI-UHFFFAOYSA-N 0 0 377.488 4.651 50 0 GJAARN C[C@@H](Cc1c(F)cccc1F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000059853981 222057220 /nfs/dbraw/zinc/05/72/20/222057220.db2.gz KYYHNQVFRWFCLH-LBPRGKRZSA-N 0 0 386.364 4.756 50 0 GJAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(N(C)C(C)C)c(F)c3)nc(=O)c2c1C ZINC000059932753 222057619 /nfs/dbraw/zinc/05/76/19/222057619.db2.gz PDKWPIQNRAAARX-LBPRGKRZSA-N 0 0 388.512 4.758 50 0 GJAARN CC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccccc2Oc2ccccc2)c1 ZINC000060182934 222059146 /nfs/dbraw/zinc/05/91/46/222059146.db2.gz JZUAIBYEMDCCIC-GOSISDBHSA-N 0 0 389.451 4.765 50 0 GJAARN O=C1NC2(CCCCCCC2)C(=O)N1Cc1csc(C2CCCCC2)n1 ZINC000060802730 222061570 /nfs/dbraw/zinc/06/15/70/222061570.db2.gz SLIQLZWDWQMXLM-UHFFFAOYSA-N 0 0 375.538 4.726 50 0 GJAARN CC(C)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 ZINC000061972686 222064441 /nfs/dbraw/zinc/06/44/41/222064441.db2.gz CAQBGSBCACIXSC-UHFFFAOYSA-N 0 0 394.496 4.655 50 0 GJAARN FC(F)(Cl)[C@@](F)(Br)C(F)(F)[C@@](F)(Cl)Br ZINC000063148545 222065744 /nfs/dbraw/zinc/06/57/44/222065744.db2.gz CNQPZAGOLNLMLO-GPKNORDASA-N 0 0 392.746 4.771 50 0 GJAARN O=C(c1cc(-c2cnc(C3CC3)nc2)nc2cc(Cl)ccc21)N1CCCCC1 ZINC000063833326 222067425 /nfs/dbraw/zinc/06/74/25/222067425.db2.gz JSJHASDYNATPSX-UHFFFAOYSA-N 0 0 392.890 4.849 50 0 GJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000064438934 222070842 /nfs/dbraw/zinc/07/08/42/222070842.db2.gz USUCPHJXMSBSHS-UHFFFAOYSA-N 0 0 399.878 4.868 50 0 GJAARN Cc1ccccc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471673 222070905 /nfs/dbraw/zinc/07/09/05/222070905.db2.gz RGNZTNJKUPLUKE-UHFFFAOYSA-N 0 0 381.476 4.615 50 0 GJAARN COc1cc(-c2ccccc2)nc2ccc(NC(=O)COc3ccccc3)cc21 ZINC000064473481 222071710 /nfs/dbraw/zinc/07/17/10/222071710.db2.gz WSGALSMHVDBHQJ-UHFFFAOYSA-N 0 0 384.435 4.928 50 0 GJAARN Cc1cc(F)ccc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471718 222072945 /nfs/dbraw/zinc/07/29/45/222072945.db2.gz YEYYGURZXQGYLH-UHFFFAOYSA-N 0 0 399.466 4.754 50 0 GJAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCCC(C)C)cc2)ncn1 ZINC000064568541 222075034 /nfs/dbraw/zinc/07/50/34/222075034.db2.gz FGHXTVMKYANQCY-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 GJAARN Cc1ccc2nc(C(=O)N3CCSCC3)cc(Nc3ccc(F)cc3C)c2c1 ZINC000064568459 222075142 /nfs/dbraw/zinc/07/51/42/222075142.db2.gz LJCCBOJJTPJBLJ-UHFFFAOYSA-N 0 0 395.503 4.923 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCc3ccc(C)cc3)cc12 ZINC000064567914 222075377 /nfs/dbraw/zinc/07/53/77/222075377.db2.gz KTYXRHVBFYFSOS-UHFFFAOYSA-N 0 0 393.487 4.815 50 0 GJAARN CCCCCNC(=O)c1ccc(-c2cc(Oc3ccccc3OC)ncn2)cc1 ZINC000064568552 222075571 /nfs/dbraw/zinc/07/55/71/222075571.db2.gz UZYRPCQBBUBZQR-UHFFFAOYSA-N 0 0 391.471 4.865 50 0 GJAARN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1c(C(=O)OC)cc2ccsc21 ZINC000064659266 222077086 /nfs/dbraw/zinc/07/70/86/222077086.db2.gz HXPWULRFZATKTP-AWEZNQCLSA-N 0 0 376.865 4.733 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4C)c3N)n2)cc1 ZINC000064664465 222077418 /nfs/dbraw/zinc/07/74/18/222077418.db2.gz DYAUDHDWJIZBSX-UHFFFAOYSA-N 0 0 381.892 4.910 50 0 GJAARN COc1ccc(CCc2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc1 ZINC000064669045 222078226 /nfs/dbraw/zinc/07/82/26/222078226.db2.gz WOSOMFROBMNKOW-UHFFFAOYSA-N 0 0 377.469 4.962 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)Nc4ccccc4F)csc3n2)cc1C ZINC000064676240 222079039 /nfs/dbraw/zinc/07/90/39/222079039.db2.gz XFZJNWOLISXJJF-UHFFFAOYSA-N 0 0 379.460 5.000 50 0 GJAARN Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)o1 ZINC000064677225 222079693 /nfs/dbraw/zinc/07/96/93/222079693.db2.gz OSPXTMFHSYXRQT-UHFFFAOYSA-N 0 0 391.496 4.805 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)N4CCc5ccccc54)csc3n2)cc1C ZINC000064676243 222079874 /nfs/dbraw/zinc/07/98/74/222079874.db2.gz XQKVAUPCGSUGGX-UHFFFAOYSA-N 0 0 387.508 4.811 50 0 GJAARN O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747711 222081061 /nfs/dbraw/zinc/08/10/61/222081061.db2.gz HZKBXILEKJDMNO-INIZCTEOSA-N 0 0 388.349 4.523 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000064800758 222081858 /nfs/dbraw/zinc/08/18/58/222081858.db2.gz GULXKBSJXTVIDA-UHFFFAOYSA-N 0 0 381.867 4.866 50 0 GJAARN Cc1ccc(Cl)cc1N(C)C(=O)c1cc2c(c3ccccc3oc2=O)n1C ZINC000064838868 222084039 /nfs/dbraw/zinc/08/40/39/222084039.db2.gz KTJDUHBVYUMSIN-UHFFFAOYSA-N 0 0 380.831 4.523 50 0 GJAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)cc1 ZINC000064820066 222084150 /nfs/dbraw/zinc/08/41/50/222084150.db2.gz UEGVDXNXVWDTSB-UHFFFAOYSA-N 0 0 393.262 4.735 50 0 GJAARN CCc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000064840108 222084953 /nfs/dbraw/zinc/08/49/53/222084953.db2.gz YDBXBMVQYPBQFR-UHFFFAOYSA-N 0 0 384.867 4.659 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)CN1c2ccc(Cl)cc2C(C)(C)C1=O ZINC000064845981 222085471 /nfs/dbraw/zinc/08/54/71/222085471.db2.gz KGFBUSQNTBLROR-UHFFFAOYSA-N 0 0 377.271 4.565 50 0 GJAARN Cc1cccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(F)cc4)c3c2)c1C ZINC000064894070 222087407 /nfs/dbraw/zinc/08/74/07/222087407.db2.gz UVOYNTCVLHQVDE-UHFFFAOYSA-N 0 0 390.414 4.651 50 0 GJAARN Cc1ccc(CNc2ccc(SCC(=O)Nc3ccc(C)c(C)c3)nn2)cc1 ZINC000064944863 222089213 /nfs/dbraw/zinc/08/92/13/222089213.db2.gz BFGODQCNJDTXCB-UHFFFAOYSA-N 0 0 392.528 4.745 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955812 222089573 /nfs/dbraw/zinc/08/95/73/222089573.db2.gz NUSYPCYPPYZCLP-UHFFFAOYSA-N 0 0 393.849 4.807 50 0 GJAARN CCCn1cc(-c2nc(-c3ccc(OCC)cc3)no2)c(=O)c2cc(C)ccc21 ZINC000064963688 222090703 /nfs/dbraw/zinc/09/07/03/222090703.db2.gz GYZCIFIMHLOICK-UHFFFAOYSA-N 0 0 389.455 4.836 50 0 GJAARN Cc1cc(C)cc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 ZINC000064969095 222091287 /nfs/dbraw/zinc/09/12/87/222091287.db2.gz LRALOCBWRJYXGU-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)no1 ZINC000064984723 222091954 /nfs/dbraw/zinc/09/19/54/222091954.db2.gz MPHBARQVMIZYLK-INIZCTEOSA-N 0 0 393.871 4.667 50 0 GJAARN COCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccccc2Cl)n1 ZINC000065250680 222116291 /nfs/dbraw/zinc/11/62/91/222116291.db2.gz LAJKZVQHKSRTRG-UHFFFAOYSA-N 0 0 395.850 4.574 50 0 GJAARN COC(=O)c1cccc(Nc2c(-c3ccc(SC)cc3)nc3cnccn32)c1 ZINC000065322764 222123260 /nfs/dbraw/zinc/12/32/60/222123260.db2.gz YRKFUYSRVZVRQA-UHFFFAOYSA-N 0 0 390.468 4.648 50 0 GJAARN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(Oc2ccccc2)CC1 ZINC000065768911 222134581 /nfs/dbraw/zinc/13/45/81/222134581.db2.gz OWUTVBCRAAFADW-RBUKOAKNSA-N 0 0 389.417 4.879 50 0 GJAARN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1cc(F)ccc1F ZINC000067260757 222142095 /nfs/dbraw/zinc/14/20/95/222142095.db2.gz HIOOJQGAXRKNDH-UHFFFAOYSA-N 0 0 387.389 4.643 50 0 GJAARN CC(=O)c1cccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)c1 ZINC000067257216 222142366 /nfs/dbraw/zinc/14/23/66/222142366.db2.gz WJCOQXVZALAPLN-UHFFFAOYSA-N 0 0 395.459 4.525 50 0 GJAARN C[C@@H](Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc21)c1ccc(F)cc1 ZINC000067288276 222143322 /nfs/dbraw/zinc/14/33/22/222143322.db2.gz SFWQYCOWKYMUNS-CQSZACIVSA-N 0 0 381.426 4.922 50 0 GJAARN C[C@H](Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc21)c1ccc(F)cc1 ZINC000067288274 222143609 /nfs/dbraw/zinc/14/36/09/222143609.db2.gz SFWQYCOWKYMUNS-AWEZNQCLSA-N 0 0 381.426 4.922 50 0 GJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3C)oc21 ZINC000067293424 222144043 /nfs/dbraw/zinc/14/40/43/222144043.db2.gz LFUPFZYIBIFCBS-BZZOAKBMSA-N 0 0 385.423 4.630 50 0 GJAARN Cc1ccc(CN2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)cc1 ZINC000067756050 222158104 /nfs/dbraw/zinc/15/81/04/222158104.db2.gz AFOJVMKBHLTRSM-UHFFFAOYSA-N 0 0 380.875 4.811 50 0 GJAARN CCc1nc(CN2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)no1 ZINC000067755961 222158252 /nfs/dbraw/zinc/15/82/52/222158252.db2.gz HLIWENZXCHOLMQ-UHFFFAOYSA-N 0 0 386.455 4.512 50 0 GJAARN CCCCc1ccc(-c2ccc(C(=O)NCc3noc(C(C)C)n3)cn2)cc1 ZINC000067974000 222168858 /nfs/dbraw/zinc/16/88/58/222168858.db2.gz GAUKNNXODRDLKP-UHFFFAOYSA-N 0 0 378.476 4.528 50 0 GJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2)C1 ZINC000067974284 222169811 /nfs/dbraw/zinc/16/98/11/222169811.db2.gz WWGYQBMZFNPGSB-GOSISDBHSA-N 0 0 384.907 4.869 50 0 GJAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cn2ccnc2)cc1 ZINC000069561080 222174551 /nfs/dbraw/zinc/17/45/51/222174551.db2.gz IDWFWPPQLQZWDM-UHFFFAOYSA-N 0 0 394.887 4.961 50 0 GJAARN O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000070640006 222176971 /nfs/dbraw/zinc/17/69/71/222176971.db2.gz FNGCNDHBIRSKOK-HXUWFJFHSA-N 0 0 385.385 4.836 50 0 GJAARN COCCn1ccc2c1cccc2NC(=O)Cn1ccc2c1cccc2Cl ZINC000070666518 222177640 /nfs/dbraw/zinc/17/76/40/222177640.db2.gz OEQHAVSGURFYSW-UHFFFAOYSA-N 0 0 381.863 4.535 50 0 biogenic GJAARN CC(C)Sc1ccc(CC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000070640027 222177673 /nfs/dbraw/zinc/17/76/73/222177673.db2.gz OVLROPMMIXSQDV-GOSISDBHSA-N 0 0 397.462 4.598 50 0 GJAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3nnc(C(C)C)s3)s2)ccn1 ZINC000071280273 222178613 /nfs/dbraw/zinc/17/86/13/222178613.db2.gz MYENDYUFHOPDNR-UHFFFAOYSA-N 0 0 387.534 4.693 50 0 GJAARN CCc1ccccc1Nc1nc(C)c(C(=O)NCc2cccc(OC)c2)s1 ZINC000071326535 222180137 /nfs/dbraw/zinc/18/01/37/222180137.db2.gz 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ZINC000072405704 222255203 /nfs/dbraw/zinc/25/52/03/222255203.db2.gz GZVIZJBHHUWGGL-UHFFFAOYSA-N 0 0 389.411 4.669 50 0 GJAARN Cc1nnc(-c2ccccc2-c2cc(NCc3cccnc3)nc3[nH]ccc32)o1 ZINC000072429570 222258996 /nfs/dbraw/zinc/25/89/96/222258996.db2.gz DPXIJYMYWBIIAQ-UHFFFAOYSA-N 0 0 382.427 4.595 50 0 GJAARN O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCCn2cncc2C1 ZINC000072473258 222264214 /nfs/dbraw/zinc/26/42/14/222264214.db2.gz CNRCYQSTWOGJLV-UHFFFAOYSA-N 0 0 390.874 4.731 50 0 GJAARN Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCN(Cc2ccncc2)C1 ZINC000085393501 222323911 /nfs/dbraw/zinc/32/39/11/222323911.db2.gz JGXWXZVYZGTLSB-UHFFFAOYSA-N 0 0 382.511 4.541 50 0 GJAARN O=C(c1cccc(Br)c1)N(CCc1cccs1)Cc1ccco1 ZINC000077183954 222273964 /nfs/dbraw/zinc/27/39/64/222273964.db2.gz ISGYBZYWQFRWNT-UHFFFAOYSA-N 0 0 390.302 4.989 50 0 GJAARN O=C(/C=C/c1cccs1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077197902 222275374 /nfs/dbraw/zinc/27/53/74/222275374.db2.gz LHZIKJQAOZFONF-HBWSCVEGSA-N 0 0 399.516 4.825 50 0 GJAARN CSc1ccccc1C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077200186 222276478 /nfs/dbraw/zinc/27/64/78/222276478.db2.gz VGCPBKZPNDOCFH-DLBZAZTESA-N 0 0 384.501 4.698 50 0 GJAARN Cc1nc(CNC(=O)[C@@H](C)Oc2cccc(F)c2)oc1-c1ccc(Cl)cc1 ZINC000079074003 222303039 /nfs/dbraw/zinc/30/30/39/222303039.db2.gz PWDPJXJHQUUYMY-CYBMUJFWSA-N 0 0 388.826 4.526 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccncc2)C12CCCCC2 ZINC000079492523 222306641 /nfs/dbraw/zinc/30/66/41/222306641.db2.gz FPZXYXLHRDPFSP-NRFANRHFSA-N 0 0 391.515 4.619 50 0 GJAARN COc1ccc(/C=C/c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000080346263 222307006 /nfs/dbraw/zinc/30/70/06/222307006.db2.gz XBKNAJXLUTXOCG-QPJJXVBHSA-N 0 0 392.528 4.833 50 0 GJAARN CNc1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc(Cl)n1 ZINC000083884220 222312622 /nfs/dbraw/zinc/31/26/22/222312622.db2.gz AHVAFSCOGFGORZ-UHFFFAOYSA-N 0 0 393.299 4.730 50 0 GJAARN Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cs1 ZINC000084191499 222313673 /nfs/dbraw/zinc/31/36/73/222313673.db2.gz SCLWBASJQYTXEI-UHFFFAOYSA-N 0 0 383.517 4.735 50 0 GJAARN O=S(=O)(c1cnc(Cl)c(Cl)c1)N(Cc1ccccc1)c1ccccc1 ZINC000084535751 222315659 /nfs/dbraw/zinc/31/56/59/222315659.db2.gz UTFAYWDQNOFNQI-UHFFFAOYSA-N 0 0 393.295 4.784 50 0 GJAARN O=C(Nc1cc(C(=O)Nc2cc(Cl)ccn2)ccc1Cl)c1cccs1 ZINC000095959629 222364992 /nfs/dbraw/zinc/36/49/92/222364992.db2.gz WVFQLJIJMVOKKE-UHFFFAOYSA-N 0 0 392.267 4.955 50 0 GJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1 ZINC000095961469 222365363 /nfs/dbraw/zinc/36/53/63/222365363.db2.gz RSUBJQXYUQMWCH-UHFFFAOYSA-N 0 0 398.422 4.550 50 0 GJAARN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000095963497 222365699 /nfs/dbraw/zinc/36/56/99/222365699.db2.gz MKRHXCJVRQQFHY-LHSJRXKWSA-N 0 0 385.847 4.593 50 0 GJAARN CN(CCOCc1ccccc1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000095965037 222366209 /nfs/dbraw/zinc/36/62/09/222366209.db2.gz NNBFVWGREBQKPQ-UHFFFAOYSA-N 0 0 397.478 4.586 50 0 GJAARN Cc1sc(NC(=O)c2ccc([S@](C)=O)cc2)nc1-c1ccc2c(c1)CCC2 ZINC000095962151 222366235 /nfs/dbraw/zinc/36/62/35/222366235.db2.gz XRRPPRZWTHMBQV-HHHXNRCGSA-N 0 0 396.537 4.597 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(OCC(F)F)n1 ZINC000095979000 222368228 /nfs/dbraw/zinc/36/82/28/222368228.db2.gz QBRJVYGOXZUORH-UHFFFAOYSA-N 0 0 393.777 4.595 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024842 222373428 /nfs/dbraw/zinc/37/34/28/222373428.db2.gz NMKBSPHGBHEOMT-UHFFFAOYSA-N 0 0 399.800 4.829 50 0 GJAARN O=C(O[C@H]1c2ccccc2N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000096190117 222396438 /nfs/dbraw/zinc/39/64/38/222396438.db2.gz YQBNMSSUPOHAGA-FQEVSTJZSA-N 0 0 377.827 4.785 50 0 GJAARN CCCCN(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(F)c1 ZINC000096277288 222407633 /nfs/dbraw/zinc/40/76/33/222407633.db2.gz SOZVRUMDVDZBLX-UHFFFAOYSA-N 0 0 381.451 4.669 50 0 GJAARN Cc1noc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)s2)c1C ZINC000096323572 222413615 /nfs/dbraw/zinc/41/36/15/222413615.db2.gz DQZLAMZNLZQLKJ-UHFFFAOYSA-N 0 0 382.894 4.783 50 0 GJAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)C2CCCCC2)no1 ZINC000096349626 222415233 /nfs/dbraw/zinc/41/52/33/222415233.db2.gz YLDOLDDSSMMGAH-UHFFFAOYSA-N 0 0 394.519 4.670 50 0 GJAARN Cc1ccc(C=Cc2nn(CN(Cc3ccc(F)cc3)C3CC3)c(=S)[nH]2)o1 ZINC000096973156 222432389 /nfs/dbraw/zinc/43/23/89/222432389.db2.gz GNFIZGYHSMDGIZ-KHPPLWFESA-N 0 0 384.480 4.774 50 0 GJAARN CC[C@@H](C)c1ccc([C@H]2c3c(nc(N)[nH]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101660248 222474163 /nfs/dbraw/zinc/47/41/63/222474163.db2.gz PJPSDOLCUOOKLE-SJKOYZFVSA-N 0 0 398.466 4.827 50 0 GJAARN CCOC(=O)C(=C(O)CSc1ccc2ccccc2c1)c1nc(C)cs1 ZINC000103034689 222489760 /nfs/dbraw/zinc/48/97/60/222489760.db2.gz IFQAWWJLIPAPOT-SFHVURJKSA-N 0 0 385.510 4.613 50 0 GJAARN O=C(CSc1nc2ccccc2s1)NCc1cncc(-c2ccsc2)c1 ZINC000206947317 222570176 /nfs/dbraw/zinc/57/01/76/222570176.db2.gz XTAQDWWJWXRRFE-UHFFFAOYSA-N 0 0 397.550 4.828 50 0 GJAARN COc1ccc(Cl)cc1N1C(=S)N=NC1CSCc1ccccc1C ZINC000006401678 533831413 /nfs/dbraw/zinc/83/14/13/533831413.db2.gz IDOKMMRSLGOCGF-UHFFFAOYSA-N 0 0 391.949 4.960 50 0 GJAARN COc1ccc(F)c(NCc2ncc(-c3ccccc3Br)o2)c1 ZINC000122333421 533918686 /nfs/dbraw/zinc/91/86/86/533918686.db2.gz KRCWSZNZWREYQV-UHFFFAOYSA-N 0 0 377.213 4.864 50 0 GJAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)/C=C/c1cccs1 ZINC000007596683 519664665 /nfs/dbraw/zinc/66/46/65/519664665.db2.gz MVCORQCLRSZBMM-MDZDMXLPSA-N 0 0 387.892 4.902 50 0 GJAARN CC(C)OC(=O)c1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1 ZINC000045901467 519752679 /nfs/dbraw/zinc/75/26/79/519752679.db2.gz KHXCKRWOXBWFOS-UHFFFAOYSA-N 0 0 375.350 4.957 50 0 GJAARN Fc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2)c(F)c1 ZINC000006402957 534457946 /nfs/dbraw/zinc/45/79/46/534457946.db2.gz CZXLDRIHLJSNRU-INIZCTEOSA-N 0 0 387.455 4.874 50 0 GJAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccc(F)c(Cl)c2)cc1 ZINC000006402423 534471585 /nfs/dbraw/zinc/47/15/85/534471585.db2.gz CKQITONITTXQHW-UHFFFAOYSA-N 0 0 383.876 4.921 50 0 GJAARN CCOc1ccccc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000008185658 521505976 /nfs/dbraw/zinc/50/59/76/521505976.db2.gz BVGXMIRMUIBYDJ-UHFFFAOYSA-N 0 0 379.412 4.596 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccccc2)cc1 ZINC000239331343 523878502 /nfs/dbraw/zinc/87/85/02/523878502.db2.gz KMZABDNLIVBLEJ-URXFXBBRSA-N 0 0 386.451 4.946 50 0 GJAARN CCc1ccc2nc(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)sc2c1 ZINC000004757377 524060508 /nfs/dbraw/zinc/06/05/08/524060508.db2.gz WITCRVOSHGGFRD-MRXNPFEDSA-N 0 0 393.556 4.953 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)[C@H]1C ZINC000239159536 524316074 /nfs/dbraw/zinc/31/60/74/524316074.db2.gz MHDYQMDKCNWRDR-JKIFEVAISA-N 0 0 376.957 4.696 50 0 GJAARN Cc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)n1-c1ccc(C)cc1 ZINC000008721462 534870130 /nfs/dbraw/zinc/87/01/30/534870130.db2.gz GTVCUFWZMOYSHC-UHFFFAOYSA-N 0 0 387.892 4.601 50 0 GJAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(Cn4ccnc4)c3)s2)o1 ZINC000025180615 525805486 /nfs/dbraw/zinc/80/54/86/525805486.db2.gz QQUOUKQSRBTLKN-UHFFFAOYSA-N 0 0 378.457 4.517 50 0 GJAARN Cc1cc(C(=O)COc2cccc3c2CCC3=O)c(C)n1Cc1cccs1 ZINC000010198016 526213281 /nfs/dbraw/zinc/21/32/81/526213281.db2.gz VZFLIXAGKJLOCZ-UHFFFAOYSA-N 0 0 379.481 4.605 50 0 GJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccco1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413753 526525456 /nfs/dbraw/zinc/52/54/56/526525456.db2.gz HEPAUMLGVUSALM-FQEVSTJZSA-N 0 0 375.428 4.665 50 0 GJAARN CC(=O)c1cc(Br)cc(Cl)c1OCc1nnc(C2CCC2)o1 ZINC000095431093 527183505 /nfs/dbraw/zinc/18/35/05/527183505.db2.gz OPLIKFOSGJJELH-UHFFFAOYSA-N 0 0 385.645 4.535 50 0 GJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000247735627 527360534 /nfs/dbraw/zinc/36/05/34/527360534.db2.gz KPZBQPDPSFOFHY-YESZJQIVSA-N 0 0 394.544 4.635 50 0 GJAARN CC(C)C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006712439 527458529 /nfs/dbraw/zinc/45/85/29/527458529.db2.gz KGUIPJRFQYRWCC-QGZVFWFLSA-N 0 0 387.568 4.520 50 0 GJAARN CC[C@@H](C)NC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000006916041 529364724 /nfs/dbraw/zinc/36/47/24/529364724.db2.gz PKXHSQHTKVRNDX-QGZVFWFLSA-N 0 0 379.504 4.519 50 0 GJAARN CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1OC ZINC000048374402 535285171 /nfs/dbraw/zinc/28/51/71/535285171.db2.gz ZKTYZTPTZDAVFV-QFIPXVFZSA-N 0 0 389.455 4.650 50 0 GJAARN CCOC(OCC)[C@H](O)CN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000071769906 535740734 /nfs/dbraw/zinc/74/07/34/535740734.db2.gz PRYSVVKVMMWGFS-MRXNPFEDSA-N 0 0 379.909 4.703 50 0 GJAARN CN(C(=O)/C=C(\c1ccccc1)C(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000098010213 535930530 /nfs/dbraw/zinc/93/05/30/535930530.db2.gz QXNVVVVHDHYSGS-NGYXKBBWSA-N 0 0 388.433 4.760 50 0 GJAARN COC(=O)c1ccc(COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)cc1 ZINC000017245702 536707284 /nfs/dbraw/zinc/70/72/84/536707284.db2.gz BZKZJMJLFBNXRD-KRWDZBQOSA-N 0 0 390.483 4.837 50 0 GJAARN CCOc1ccccc1OCCCC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000046152054 570210312 /nfs/dbraw/zinc/21/03/12/570210312.db2.gz GQEGQMKNAOEZKL-UHFFFAOYSA-N 0 0 397.393 4.910 50 0 GJAARN Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000047810799 570215806 /nfs/dbraw/zinc/21/58/06/570215806.db2.gz URJJBNCNHPYTJK-INMHGKMJSA-N 0 0 387.549 4.895 50 0 GJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)NCc1ccoc1 ZINC000047842371 570215827 /nfs/dbraw/zinc/21/58/27/570215827.db2.gz JOFGYNFUAZKGSY-OKILXGFUSA-N 0 0 389.883 4.658 50 0 GJAARN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1ccc(Br)cc1 ZINC000000682313 570217122 /nfs/dbraw/zinc/21/71/22/570217122.db2.gz KZELQOKJFVAJSC-UHFFFAOYSA-N 0 0 396.240 4.921 50 0 GJAARN COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1-c1ccc(F)cc1 ZINC000000685845 570217992 /nfs/dbraw/zinc/21/79/92/570217992.db2.gz DRYPSJXGVDTXHB-UHFFFAOYSA-N 0 0 399.443 4.910 50 0 GJAARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)NC1CCCCC1 ZINC000004303497 570218521 /nfs/dbraw/zinc/21/85/21/570218521.db2.gz GCYWFSSMFMAQJK-UHFFFAOYSA-N 0 0 377.513 4.838 50 0 GJAARN CC(C)(C)C[C@@H](NC(=O)Nc1ccccc1CN1CCOCC1)c1ccccc1 ZINC000048235273 570221711 /nfs/dbraw/zinc/22/17/11/570221711.db2.gz RQPUJFHPRGCJDY-JOCHJYFZSA-N 0 0 395.547 4.818 50 0 GJAARN CCOC(=O)c1c(SC)nc2c(cccc2C(F)(F)F)c1N1CCCC1 ZINC000019835313 570223680 /nfs/dbraw/zinc/22/36/80/570223680.db2.gz PMVVKVHQNLEIAH-UHFFFAOYSA-N 0 0 384.423 4.752 50 0 GJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N(Cc1ccccn1)C(C)C ZINC000048263571 570224884 /nfs/dbraw/zinc/22/48/84/570224884.db2.gz SCBUCMJXKUNMTB-UHFFFAOYSA-N 0 0 399.498 4.564 50 0 GJAARN O=C(COc1ccccc1)N(Cc1ccco1)c1nc2c(cccc2F)s1 ZINC000010527762 570225655 /nfs/dbraw/zinc/22/56/55/570225655.db2.gz FAVWNCSFXVYPBS-UHFFFAOYSA-N 0 0 382.416 4.641 50 0 GJAARN Cc1cc2c(c([C@](O)(c3nc4ccccc4s3)C(F)(F)F)c1)NCCC2 ZINC000048252163 570226809 /nfs/dbraw/zinc/22/68/09/570226809.db2.gz BBNITETYPOOAJO-SFHVURJKSA-N 0 0 378.419 4.761 50 0 GJAARN CC[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1OC ZINC000011903334 570227221 /nfs/dbraw/zinc/22/72/21/570227221.db2.gz UTEREVBHLKKDTL-LJQANCHMSA-N 0 0 379.485 4.662 50 0 GJAARN CCc1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000888473 570228327 /nfs/dbraw/zinc/22/83/27/570228327.db2.gz NRYYGZDRQWJDBF-UHFFFAOYSA-N 0 0 383.542 4.863 50 0 GJAARN CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000048290323 570229016 /nfs/dbraw/zinc/22/90/16/570229016.db2.gz UYTKUUZBJFRLFE-UHFFFAOYSA-N 0 0 375.472 4.792 50 0 GJAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@@H]1C=C[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000022627763 570229154 /nfs/dbraw/zinc/22/91/54/570229154.db2.gz ADCIKNKYIQAKTR-OIBXWCBGSA-N 0 0 391.511 4.633 50 0 GJAARN COc1ccc(-c2csc3[nH]c(CNc4ccc(C)cc4)nc(=O)c23)cc1 ZINC000019926589 570229889 /nfs/dbraw/zinc/22/98/89/570229889.db2.gz FLJNDKFRMHZTGG-UHFFFAOYSA-N 0 0 377.469 4.581 50 0 GJAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1occc1-c1ccccc1 ZINC000012816125 570230846 /nfs/dbraw/zinc/23/08/46/570230846.db2.gz XQBIQBTWNOIJBC-UHFFFAOYSA-N 0 0 388.467 4.503 50 0 GJAARN CC(C)(C)[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1cccs1 ZINC000048278934 570230945 /nfs/dbraw/zinc/23/09/45/570230945.db2.gz OSIMQGJFKCOSIF-LJQANCHMSA-N 0 0 385.533 4.779 50 0 GJAARN Cc1sc2ncn(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)c2c1C ZINC000000956581 570231619 /nfs/dbraw/zinc/23/16/19/570231619.db2.gz LLJGVJUCMZLZID-UHFFFAOYSA-N 0 0 397.544 4.960 50 0 GJAARN CCn1c(=S)n(CN2CCC[C@H]2c2ccc(OC)cc2)nc1-c1ccccc1 ZINC000012818969 570232114 /nfs/dbraw/zinc/23/21/14/570232114.db2.gz TVCFECBQRNLNGB-FQEVSTJZSA-N 0 0 394.544 4.904 50 0 GJAARN COc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)ccc1C ZINC000012819471 570232268 /nfs/dbraw/zinc/23/22/68/570232268.db2.gz QVERLGORFHMSAO-UHFFFAOYSA-N 0 0 390.270 4.808 50 0 GJAARN CC(C)Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=N ZINC000019952307 570233445 /nfs/dbraw/zinc/23/34/45/570233445.db2.gz MQZRFPVAIGWESG-UHFFFAOYSA-N 0 0 378.303 4.964 50 0 GJAARN O=C([O-])[C@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035105592 570233709 /nfs/dbraw/zinc/23/37/09/570233709.db2.gz LPTCXUNKCOMXID-XOBRGWDASA-N 0 0 391.496 4.783 50 0 GJAARN CC(=O)c1c(C)cc(C)c(CNc2cc(Cl)ccc2N2CCOCC2)c1C ZINC000048300666 570234158 /nfs/dbraw/zinc/23/41/58/570234158.db2.gz VATLKPHGABIJMX-UHFFFAOYSA-N 0 0 386.923 4.917 50 0 GJAARN COc1ccc2[nH]c(C(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)C3CC3)cc2c1OC ZINC000048314678 570235271 /nfs/dbraw/zinc/23/52/71/570235271.db2.gz XWGVUKAKTQMNHT-CZUORRHYSA-N 0 0 394.471 4.706 50 0 GJAARN CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816682 570235436 /nfs/dbraw/zinc/23/54/36/570235436.db2.gz NQIXQQBPOCKYCC-QZTJIDSGSA-N 0 0 387.270 4.672 50 0 GJAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 ZINC000004816679 570235488 /nfs/dbraw/zinc/23/54/88/570235488.db2.gz NZQBEVHEADFVJJ-PMACEKPBSA-N 0 0 392.890 4.717 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl ZINC000051364570 570235581 /nfs/dbraw/zinc/23/55/81/570235581.db2.gz PTERAOYEYWVRFV-KRWDZBQOSA-N 0 0 378.859 4.807 50 0 GJAARN Cc1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)ccc1Cl ZINC000011615661 570236263 /nfs/dbraw/zinc/23/62/63/570236263.db2.gz XKARREGKJCEJKJ-ODLFYWEKSA-N 0 0 392.867 4.679 50 0 GJAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)n(C2CCCCC2)c1C ZINC000048325829 570236503 /nfs/dbraw/zinc/23/65/03/570236503.db2.gz VBOVKSMTCRJQPC-INIZCTEOSA-N 0 0 389.569 4.902 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000023312149 570237271 /nfs/dbraw/zinc/23/72/71/570237271.db2.gz OOJLZPQNGCTAGL-GAJHUEQPSA-N 0 0 375.443 4.767 50 0 GJAARN COc1cc(C(=O)Nc2ccc(-c3onc4c3CCCC4)cc2)cc(Cl)n1 ZINC000023312383 570237327 /nfs/dbraw/zinc/23/73/27/570237327.db2.gz HTPDXANWOKKATJ-UHFFFAOYSA-N 0 0 383.835 4.530 50 0 GJAARN COc1cc2c(cc1NC(=O)CNc1cc(F)ccc1F)oc1ccccc12 ZINC000011622166 570240102 /nfs/dbraw/zinc/24/01/02/570240102.db2.gz BTEGGJXVYUQAMO-UHFFFAOYSA-N 0 0 382.366 4.923 50 0 GJAARN Cc1ccc(N2C(=S)N=NC2[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 ZINC000006275865 570240131 /nfs/dbraw/zinc/24/01/31/570240131.db2.gz WIAZWOYOSAORQE-UONOGXRCSA-N 0 0 386.318 4.898 50 0 GJAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1SC(F)F ZINC000048344636 570240693 /nfs/dbraw/zinc/24/06/93/570240693.db2.gz WBOVXJTWVNRWSE-UHFFFAOYSA-N 0 0 399.846 4.997 50 0 GJAARN Cc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1S[C@@H]1CCCCC1=O ZINC000006093780 570242226 /nfs/dbraw/zinc/24/22/26/570242226.db2.gz ALXAKVYYCHSYSZ-LJQANCHMSA-N 0 0 398.915 4.951 50 0 GJAARN C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1c[nH]c2ccccc12 ZINC000006099251 570243245 /nfs/dbraw/zinc/24/32/45/570243245.db2.gz QWQFDSQPMQTTCV-SECBINFHSA-N 0 0 391.283 4.881 50 0 GJAARN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4nc5ccccc5[nH]4)C3)ccc2c1 ZINC000020149127 570244143 /nfs/dbraw/zinc/24/41/43/570244143.db2.gz FGGJBOYDIFAKAY-FQEVSTJZSA-N 0 0 399.494 4.820 50 0 GJAARN CCSc1nc2ccc(NC(=O)N[C@H](c3cc(C)ccn3)C3CC3)cc2o1 ZINC000097568879 570246519 /nfs/dbraw/zinc/24/65/19/570246519.db2.gz ZCWHKTLYQRLAIS-SFHVURJKSA-N 0 0 382.489 4.916 50 0 GJAARN Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccsc2)c(Br)c1 ZINC000048367671 570247204 /nfs/dbraw/zinc/24/72/04/570247204.db2.gz XQFARRHKZZCIOS-INIZCTEOSA-N 0 0 379.323 4.595 50 0 GJAARN O=C(NC1CCCC1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000006112670 570248049 /nfs/dbraw/zinc/24/80/49/570248049.db2.gz QIGXKMYHBJSPOH-UHFFFAOYSA-N 0 0 399.450 4.784 50 0 biogenic GJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000001146220 570248457 /nfs/dbraw/zinc/24/84/57/570248457.db2.gz IUDAOFBRJNKCCZ-UHFFFAOYSA-N 0 0 379.287 4.920 50 0 GJAARN Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-c1ccccc1 ZINC000001146169 570248579 /nfs/dbraw/zinc/24/85/79/570248579.db2.gz DJZSNZIBIZUWDT-UHFFFAOYSA-N 0 0 393.299 4.613 50 0 GJAARN C[C@@H]1CCN(C(=O)CSc2ncnc3sccc32)c2ccccc2S1 ZINC000006115344 570248957 /nfs/dbraw/zinc/24/89/57/570248957.db2.gz QKDQSQNQZASKAH-GFCCVEGCSA-N 0 0 387.555 4.701 50 0 GJAARN Cc1cc(Br)c(NC(=S)NC(=O)c2cccc(Cl)c2)cc1C ZINC000001152225 570249135 /nfs/dbraw/zinc/24/91/35/570249135.db2.gz UWPGLPXCMQEKEB-UHFFFAOYSA-N 0 0 397.725 4.846 50 0 GJAARN O=c1nc(SCc2ccc(Br)cc2)[nH]c2sc3c(c21)CCC3 ZINC000001156202 570250203 /nfs/dbraw/zinc/25/02/03/570250203.db2.gz BQJFKUJBBMELNZ-UHFFFAOYSA-N 0 0 393.331 4.528 50 0 GJAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000001156779 570250246 /nfs/dbraw/zinc/25/02/46/570250246.db2.gz MERYWXSANZLWJT-UHFFFAOYSA-N 0 0 390.405 4.505 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000001160273 570251568 /nfs/dbraw/zinc/25/15/68/570251568.db2.gz UVLNAUZDWULPCV-UHFFFAOYSA-N 0 0 398.684 4.745 50 0 GJAARN CCCNC(=O)c1ccc([C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)s1 ZINC000020363911 570253544 /nfs/dbraw/zinc/25/35/44/570253544.db2.gz YTVDILDTAFBRJB-SFHVURJKSA-N 0 0 395.528 4.880 50 0 GJAARN COc1ccccc1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000032942920 570253576 /nfs/dbraw/zinc/25/35/76/570253576.db2.gz PASQIAAIUOHOPQ-UHFFFAOYSA-N 0 0 385.419 4.883 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl ZINC000001182463 570255886 /nfs/dbraw/zinc/25/58/86/570255886.db2.gz OOJYWOWOGKGYIU-UHFFFAOYSA-N 0 0 386.648 4.876 50 0 GJAARN O=c1nc(N2CCc3ccccc3C2)[nH]c2c(-c3ccccc3Cl)csc21 ZINC000048986608 570256414 /nfs/dbraw/zinc/25/64/14/570256414.db2.gz ABJDKGBVGZVFAI-UHFFFAOYSA-N 0 0 393.899 4.868 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(F)cc2)n1 ZINC000049005179 570257137 /nfs/dbraw/zinc/25/71/37/570257137.db2.gz ORDJCJRZPWWOGE-OAHLLOKOSA-N 0 0 378.451 4.836 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(F)c(F)c2)n1 ZINC000049004671 570262034 /nfs/dbraw/zinc/26/20/34/570262034.db2.gz NUCBIWGBKITGPM-UHFFFAOYSA-N 0 0 382.414 4.586 50 0 GJAARN C[C@@H]1CCCN(c2cc(C(=O)N[C@@H]3CCc4ccccc43)c3ccccc3n2)C1 ZINC000023320373 570262574 /nfs/dbraw/zinc/26/25/74/570262574.db2.gz IFNZCVGATXKRIC-UZUQRXQVSA-N 0 0 385.511 4.888 50 0 GJAARN O=C(Nc1cccc2c1CCCC2)c1ccc(I)cc1F ZINC000098073332 570263219 /nfs/dbraw/zinc/26/32/19/570263219.db2.gz ONEDBDDAKLMJOJ-UHFFFAOYSA-N 0 0 395.215 4.561 50 0 GJAARN CCOc1ccc(NC(=O)c2sc(Nc3ccccc3OC)nc2C)cc1 ZINC000049403748 570264534 /nfs/dbraw/zinc/26/45/34/570264534.db2.gz FJLRGIKKAZVBSD-UHFFFAOYSA-N 0 0 383.473 4.855 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)N(Cc1cccs1)Cc1cccn1C ZINC000049410311 570266221 /nfs/dbraw/zinc/26/62/21/570266221.db2.gz HJTUFSJVFRPVCL-UHFFFAOYSA-N 0 0 389.908 4.983 50 0 GJAARN Cc1ccc(NC(=O)Cn2cnc(-c3nc(-c4cccs4)cs3)c2)cc1F ZINC000049420738 570266857 /nfs/dbraw/zinc/26/68/57/570266857.db2.gz HRVQYGLAUQDFOY-UHFFFAOYSA-N 0 0 398.488 4.821 50 0 GJAARN COC(=O)c1cc(-c2cccs2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000020602609 570270377 /nfs/dbraw/zinc/27/03/77/570270377.db2.gz COBOYDJNWAAZHP-UHFFFAOYSA-N 0 0 375.453 4.813 50 0 GJAARN O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000022204961 570270995 /nfs/dbraw/zinc/27/09/95/570270995.db2.gz AOKSARDXSZOHLZ-OAHLLOKOSA-N 0 0 392.113 4.556 50 0 GJAARN COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(=O)C2=CNc1ccc(C)cc1 ZINC000100337149 570271245 /nfs/dbraw/zinc/27/12/45/570271245.db2.gz JWMIYNWFRBHJPY-HAHDFKILSA-N 0 0 398.462 4.639 50 0 GJAARN Cc1sc2ccccc2c1-c1c[nH]c([C@H]2CC(=O)N(Cc3ccccn3)C2)n1 ZINC000020613887 570272204 /nfs/dbraw/zinc/27/22/04/570272204.db2.gz OPPXRFHFJXFTPF-HNNXBMFYSA-N 0 0 388.496 4.511 50 0 GJAARN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100580471 570273531 /nfs/dbraw/zinc/27/35/31/570273531.db2.gz SDCWCBCCXXJTKX-FASAQXTFSA-N 0 0 396.874 4.518 50 0 GJAARN C[C@H](Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)C(=O)c1ccccc1 ZINC000002101130 570274517 /nfs/dbraw/zinc/27/45/17/570274517.db2.gz XGECAUJLYBOZFH-HNNXBMFYSA-N 0 0 386.403 4.816 50 0 biogenic GJAARN Cc1cc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000012875928 570274763 /nfs/dbraw/zinc/27/47/63/570274763.db2.gz RUKOQHOSZDZYOS-WZONZLPQSA-N 0 0 389.499 4.664 50 0 GJAARN COc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1 ZINC000526056080 570274797 /nfs/dbraw/zinc/27/47/97/570274797.db2.gz PFJWTAUQDMBXQI-FQEVSTJZSA-N 0 0 396.487 4.700 50 0 GJAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000020707176 570275381 /nfs/dbraw/zinc/27/53/81/570275381.db2.gz WDEVPXJRKQHSOB-OAQYLSRUSA-N 0 0 396.874 4.581 50 0 GJAARN Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccccc1Cl ZINC000002172450 570276949 /nfs/dbraw/zinc/27/69/49/570276949.db2.gz GQUNOMMNNYEESY-UHFFFAOYSA-N 0 0 392.886 4.815 50 0 GJAARN COC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3)cc21 ZINC000000623683 570277366 /nfs/dbraw/zinc/27/73/66/570277366.db2.gz OSYKUTAOBAOWRQ-UHFFFAOYSA-N 0 0 375.218 4.869 50 0 GJAARN O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1cccnc1Cl ZINC000020731999 570277477 /nfs/dbraw/zinc/27/74/77/570277477.db2.gz ZWALGANQBIQWRE-UHFFFAOYSA-N 0 0 385.210 4.844 50 0 GJAARN CCOCCOC(=O)N[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000002193175 570278487 /nfs/dbraw/zinc/27/84/87/570278487.db2.gz ACDUCLYLJDPXGT-INIZCTEOSA-N 0 0 377.893 4.851 50 0 GJAARN Cc1[nH]c2cc(-c3sccc3-n3cccc3)nn2c(=O)c1Cc1ccccc1 ZINC000100915987 570279282 /nfs/dbraw/zinc/27/92/82/570279282.db2.gz XVXUHLPPKVTPRA-UHFFFAOYSA-N 0 0 386.480 4.853 50 0 GJAARN Cc1nn2c(ncc3c2C[C@@H](c2ccco2)CC3=O)c1-c1ccc(Cl)cc1 ZINC000002338431 570283353 /nfs/dbraw/zinc/28/33/53/570283353.db2.gz ZSIJRWQPTAZBHQ-CQSZACIVSA-N 0 0 377.831 4.864 50 0 GJAARN O=C(N[C@H](Nc1ccc2ccccc2c1)C(=O)c1ccccc1)c1cccs1 ZINC000000655668 570284876 /nfs/dbraw/zinc/28/48/76/570284876.db2.gz IBMISQLAQVJSNZ-QFIPXVFZSA-N 0 0 386.476 4.952 50 0 GJAARN CSc1ccc([C@@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 ZINC000002485264 570286749 /nfs/dbraw/zinc/28/67/49/570286749.db2.gz RBVLKNKGBVKWQS-INIZCTEOSA-N 0 0 380.332 4.950 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1noc2c1CCc1ccccc1-2 ZINC000002466003 570287878 /nfs/dbraw/zinc/28/78/78/570287878.db2.gz AYXFSOIYCNKJJR-UHFFFAOYSA-N 0 0 396.468 4.548 50 0 GJAARN CCOCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000002469506 570287902 /nfs/dbraw/zinc/28/79/02/570287902.db2.gz BJLUSZVGUVIDMU-QGZVFWFLSA-N 0 0 397.515 4.727 50 0 GJAARN CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cnc21 ZINC000012901427 570288485 /nfs/dbraw/zinc/28/84/85/570288485.db2.gz GRMJXSHAVJKIAQ-UHFFFAOYSA-N 0 0 381.436 4.527 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Br)cc1 ZINC000012901523 570288491 /nfs/dbraw/zinc/28/84/91/570288491.db2.gz PIVMMCSJQMQSBM-LLVKDONJSA-N 0 0 375.291 4.892 50 0 GJAARN COc1ccccc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000021216754 570289208 /nfs/dbraw/zinc/28/92/08/570289208.db2.gz BGXSXSVZRYOTPK-UHFFFAOYSA-N 0 0 377.375 4.598 50 0 GJAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccc(F)cc1 ZINC000012903321 570289271 /nfs/dbraw/zinc/28/92/71/570289271.db2.gz MGHFWEPRCQDZSN-UHFFFAOYSA-N 0 0 390.867 4.753 50 0 GJAARN COC(=O)CSc1nnc(SCc2c(C)ccc3ccccc32)s1 ZINC000002532501 570290026 /nfs/dbraw/zinc/29/00/26/570290026.db2.gz IEGARSSDFHLAQS-UHFFFAOYSA-N 0 0 376.528 4.557 50 0 GJAARN C[C@H](OC(=O)c1c[nH]c2ccccc21)C(=O)N(c1nccs1)C1CCCCC1 ZINC000010744929 570290380 /nfs/dbraw/zinc/29/03/80/570290380.db2.gz ZTSQHVRFLZJYPX-AWEZNQCLSA-N 0 0 397.500 4.536 50 0 GJAARN Cc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1N1CCCC1=O ZINC000010750086 570290694 /nfs/dbraw/zinc/29/06/94/570290694.db2.gz ITSAYABFIFDHHG-HNNXBMFYSA-N 0 0 385.895 4.523 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000010750731 570290777 /nfs/dbraw/zinc/29/07/77/570290777.db2.gz ZGWKUKWLZOABSU-OAHLLOKOSA-N 0 0 385.895 4.523 50 0 GJAARN COc1cc(C)c(NC(=O)c2ccccc2OCc2csc(C)n2)cc1OC ZINC000012908078 570290844 /nfs/dbraw/zinc/29/08/44/570290844.db2.gz VEKUVJICGODPGM-UHFFFAOYSA-N 0 0 398.484 4.608 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccco1)Cc1ccccc1F ZINC000021524143 570291987 /nfs/dbraw/zinc/29/19/87/570291987.db2.gz YRJHSWVAIHGYFQ-UHFFFAOYSA-N 0 0 376.387 4.916 50 0 GJAARN Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccccn2)cc(C)c1Cl ZINC000021524348 570292069 /nfs/dbraw/zinc/29/20/69/570292069.db2.gz MVKQXYAOGDNALW-MRXNPFEDSA-N 0 0 384.863 4.946 50 0 GJAARN CCSc1nnc(NC(=O)c2oc3ccc(Br)cc3c2C)s1 ZINC000002628908 570292252 /nfs/dbraw/zinc/29/22/52/570292252.db2.gz PWDMBZRCEQLYPI-UHFFFAOYSA-N 0 0 398.307 4.720 50 0 GJAARN C[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000102796936 570292522 /nfs/dbraw/zinc/29/25/22/570292522.db2.gz MYCAZMDYGQEONG-UKPHBRMFSA-N 0 0 392.425 4.558 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1cccs1 ZINC000021639218 570293650 /nfs/dbraw/zinc/29/36/50/570293650.db2.gz JTZMANVPJDRKBT-QGZVFWFLSA-N 0 0 395.871 4.971 50 0 GJAARN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(OC)c(Br)c1 ZINC000021720771 570294835 /nfs/dbraw/zinc/29/48/35/570294835.db2.gz BFLNQCVZNQTOQU-HNNXBMFYSA-N 0 0 379.298 4.654 50 0 GJAARN COC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000002736780 570296887 /nfs/dbraw/zinc/29/68/87/570296887.db2.gz JQNGCSOWHZOBJV-HXUWFJFHSA-N 0 0 377.465 4.945 50 0 GJAARN CCCCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 ZINC000002734547 570297001 /nfs/dbraw/zinc/29/70/01/570297001.db2.gz XEOIJGLPWCTGPY-SNVBAGLBSA-N 0 0 388.320 4.984 50 0 GJAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N1CCCC1 ZINC000004830434 570296951 /nfs/dbraw/zinc/29/69/51/570296951.db2.gz GTZVGGLTVOCKFL-INIZCTEOSA-N 0 0 377.513 4.847 50 0 GJAARN CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000012927498 570297797 /nfs/dbraw/zinc/29/77/97/570297797.db2.gz NBTDIAMAWPYNCZ-UHFFFAOYSA-N 0 0 395.915 4.937 50 0 GJAARN CCC[C@H](NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)c1ccccc1 ZINC000012928134 570298284 /nfs/dbraw/zinc/29/82/84/570298284.db2.gz GEOLFUYZMWALFX-ICSRJNTNSA-N 0 0 392.528 4.811 50 0 GJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000021916537 570299309 /nfs/dbraw/zinc/29/93/09/570299309.db2.gz PCNZZTSLAGPWAN-UHFFFAOYSA-N 0 0 390.270 4.635 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c12 ZINC000021970466 570300396 /nfs/dbraw/zinc/30/03/96/570300396.db2.gz VFHZFWFPZKBUJZ-UHFFFAOYSA-N 0 0 375.472 4.504 50 0 GJAARN Cc1c(C(=O)NCc2ccc(C)cc2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 ZINC000006940582 570300604 /nfs/dbraw/zinc/30/06/04/570300604.db2.gz UAUJXFLNTUATIS-INIZCTEOSA-N 0 0 379.456 4.574 50 0 GJAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3ccccc3)CC2)c1C ZINC000006942094 570300993 /nfs/dbraw/zinc/30/09/93/570300993.db2.gz IGXSCGTYFORTPZ-UHFFFAOYSA-N 0 0 382.504 4.727 50 0 GJAARN CCN(C)C(=O)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714375 570302233 /nfs/dbraw/zinc/30/22/33/570302233.db2.gz PYSHTUJTWLKISF-UHFFFAOYSA-N 0 0 388.439 4.759 50 0 GJAARN CCCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002799124 570302546 /nfs/dbraw/zinc/30/25/46/570302546.db2.gz FFAKSMLEBRZOFX-GFCCVEGCSA-N 0 0 383.439 4.559 50 0 GJAARN O=C(NCCc1ccc(-c2ccsc2)s1)c1cncc(Br)c1 ZINC000575413997 570303000 /nfs/dbraw/zinc/30/30/00/570303000.db2.gz GKWHQGWMBWCZGK-UHFFFAOYSA-N 0 0 393.331 4.607 50 0 GJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1Cl ZINC000002813799 570304447 /nfs/dbraw/zinc/30/44/47/570304447.db2.gz UMJWOWMXDCBSCL-UHFFFAOYSA-N 0 0 394.780 4.987 50 0 GJAARN CC(C)CNC(=O)c1csc(-c2ccccc2OCc2ccc(F)cc2)n1 ZINC000034713978 570305052 /nfs/dbraw/zinc/30/50/52/570305052.db2.gz UGIVTBVKYQJWMP-UHFFFAOYSA-N 0 0 384.476 4.914 50 0 GJAARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000002836284 570306001 /nfs/dbraw/zinc/30/60/01/570306001.db2.gz YAMCTXIRNYVWKF-UHFFFAOYSA-N 0 0 390.508 4.854 50 0 GJAARN Cc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1C ZINC000002836654 570306303 /nfs/dbraw/zinc/30/63/03/570306303.db2.gz LXTRLLMJKABULH-UHFFFAOYSA-N 0 0 389.411 4.631 50 0 GJAARN CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000002842990 570307221 /nfs/dbraw/zinc/30/72/21/570307221.db2.gz AAUKGQWLCRGRAW-DLBZAZTESA-N 0 0 399.292 4.586 50 0 GJAARN O=C(OCc1ccc2ccccc2c1)c1ccccc1I ZINC000002844479 570307761 /nfs/dbraw/zinc/30/77/61/570307761.db2.gz PKZKXQHGOYURRC-UHFFFAOYSA-N 0 0 388.204 4.801 50 0 GJAARN O=C(COc1ccccc1)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000002850541 570308785 /nfs/dbraw/zinc/30/87/85/570308785.db2.gz ZQVBTDPWQYFWNS-UHFFFAOYSA-N 0 0 394.858 4.539 50 0 GJAARN Cn1nc(C2CC2)nc1CNc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000564799256 570310105 /nfs/dbraw/zinc/31/01/05/570310105.db2.gz QKCGIDVGCYKBJH-UHFFFAOYSA-N 0 0 390.274 4.799 50 0 GJAARN CCOc1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C ZINC000024838915 570312912 /nfs/dbraw/zinc/31/29/12/570312912.db2.gz RANJFLPNQIGFIH-UHFFFAOYSA-N 0 0 390.487 4.631 50 0 GJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(OC)c1 ZINC000023330188 570313337 /nfs/dbraw/zinc/31/33/37/570313337.db2.gz CJIRUDVOVBYEMV-UHFFFAOYSA-N 0 0 395.480 4.777 50 0 GJAARN COc1cc(NC(=O)CSc2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000002872170 570313900 /nfs/dbraw/zinc/31/39/00/570313900.db2.gz KBFSQMRFBGTGAY-UHFFFAOYSA-N 0 0 389.517 4.741 50 0 GJAARN COc1cc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC ZINC000012323415 570314371 /nfs/dbraw/zinc/31/43/71/570314371.db2.gz MNLZBZURIXOVJF-UHFFFAOYSA-N 0 0 395.436 4.609 50 0 GJAARN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000002875534 570314489 /nfs/dbraw/zinc/31/44/89/570314489.db2.gz LAAFTLYEYMTSTM-UHFFFAOYSA-N 0 0 392.727 4.625 50 0 GJAARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cc2ccccc2o1 ZINC000002877367 570314986 /nfs/dbraw/zinc/31/49/86/570314986.db2.gz NFFNXXHLGUQVBB-UHFFFAOYSA-N 0 0 399.903 4.813 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000012945272 570316621 /nfs/dbraw/zinc/31/66/21/570316621.db2.gz LALUQRYRYHVCHZ-AWEZNQCLSA-N 0 0 376.456 4.722 50 0 GJAARN O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1cccc(F)c1 ZINC000022458319 570317112 /nfs/dbraw/zinc/31/71/12/570317112.db2.gz VBINSBBJCNANPX-UHFFFAOYSA-N 0 0 389.386 4.707 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)Cc3ccccc3)n2)cc1 ZINC000022462096 570317612 /nfs/dbraw/zinc/31/76/12/570317612.db2.gz SZELEHADOYGRSX-UHFFFAOYSA-N 0 0 385.423 4.593 50 0 GJAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)Nc1ccccc1-2 ZINC000002912735 570317999 /nfs/dbraw/zinc/31/79/99/570317999.db2.gz CPSAQGBZBVJGGR-SFHVURJKSA-N 0 0 380.473 4.552 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000002916249 570318131 /nfs/dbraw/zinc/31/81/31/570318131.db2.gz BHTWLOLQXIJKDU-SNVBAGLBSA-N 0 0 383.662 4.638 50 0 GJAARN CC[C@H](C)Sc1ccc(NC(=O)NC[C@H](C)CC2(C)OCCO2)c(C)c1 ZINC000075094218 570318458 /nfs/dbraw/zinc/31/84/58/570318458.db2.gz RLIJYDRBTPGSJC-ZBFHGGJFSA-N 0 0 380.554 4.796 50 0 GJAARN COc1cc(-c2nc(C(=O)N(C)C(C)C)cs2)ccc1OCc1ccccc1 ZINC000034717294 570320086 /nfs/dbraw/zinc/32/00/86/570320086.db2.gz XNLCVCABCZTGEZ-UHFFFAOYSA-N 0 0 396.512 4.878 50 0 GJAARN Cc1cc(C)cc(C[C@@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)C2=O)c1 ZINC000100174036 570320845 /nfs/dbraw/zinc/32/08/45/570320845.db2.gz CMEHWZKCDVGJRA-APNVUFTPSA-N 0 0 379.544 4.828 50 0 GJAARN O=C(COc1ccccc1Br)NC(c1ccccc1)c1ccccc1 ZINC000002972348 570321186 /nfs/dbraw/zinc/32/11/86/570321186.db2.gz FFEQNBCSMUZSIK-UHFFFAOYSA-N 0 0 396.284 4.734 50 0 GJAARN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccccc1Br ZINC000002979326 570321946 /nfs/dbraw/zinc/32/19/46/570321946.db2.gz NTMLRCXJNRGEAM-UHFFFAOYSA-N 0 0 385.286 4.729 50 0 GJAARN O=C(COc1ccc2ccccc2c1)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000002980153 570322169 /nfs/dbraw/zinc/32/21/69/570322169.db2.gz FGXRJGBEDBJLQE-UHFFFAOYSA-N 0 0 394.434 4.591 50 0 GJAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1 ZINC000002982535 570322528 /nfs/dbraw/zinc/32/25/28/570322528.db2.gz MUDPKBWRTAPHOA-UHFFFAOYSA-N 0 0 377.655 4.913 50 0 GJAARN Fc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000002982659 570322547 /nfs/dbraw/zinc/32/25/47/570322547.db2.gz KHYBZSXQQKLAFP-UHFFFAOYSA-N 0 0 384.307 4.652 50 0 GJAARN COc1cccc(OC)c1OCCCOc1cc(C)c(C)cc1Br ZINC000002985392 570323005 /nfs/dbraw/zinc/32/30/05/570323005.db2.gz PWXPOWJFADZPKF-UHFFFAOYSA-N 0 0 395.293 4.931 50 0 GJAARN COc1ccccc1OCCOCCOc1c(C)cc(C)cc1Br ZINC000002985101 570323039 /nfs/dbraw/zinc/32/30/39/570323039.db2.gz KHGYSAVEHKWRRE-UHFFFAOYSA-N 0 0 395.293 4.549 50 0 GJAARN COc1cccc(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)c1 ZINC000002994102 570324237 /nfs/dbraw/zinc/32/42/37/570324237.db2.gz YWYSYKAGWJZAEB-UHFFFAOYSA-N 0 0 398.842 4.596 50 0 GJAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000022689382 570324542 /nfs/dbraw/zinc/32/45/42/570324542.db2.gz YGCZAHUSODALFN-MRXNPFEDSA-N 0 0 378.472 4.622 50 0 GJAARN O=C(CCCSc1nnnn1-c1cccc2ccccc21)c1ccc(F)cc1 ZINC000002998932 570325201 /nfs/dbraw/zinc/32/52/01/570325201.db2.gz GSBIVPBIHYFVTQ-UHFFFAOYSA-N 0 0 392.459 4.710 50 0 GJAARN O=C1c2ccccc2N=C1NN=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1 ZINC000006196062 570325370 /nfs/dbraw/zinc/32/53/70/570325370.db2.gz MITUQCOHXWTLRX-UHFFFAOYSA-N 0 0 399.841 4.793 50 0 GJAARN Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000003069917 570327745 /nfs/dbraw/zinc/32/77/45/570327745.db2.gz AQLGGWYQAWODIT-UHFFFAOYSA-N 0 0 397.645 4.762 50 0 GJAARN Cc1cccc(CN2CCCN(c3cccc(NC(=O)C4CCC4)c3)C2=O)c1 ZINC000034735306 570328091 /nfs/dbraw/zinc/32/80/91/570328091.db2.gz BVEPVCFJJCYNBO-UHFFFAOYSA-N 0 0 377.488 4.566 50 0 GJAARN Cc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1c(F)cccc1F ZINC000034796231 570337813 /nfs/dbraw/zinc/33/78/13/570337813.db2.gz ZTNGHTWYMROVKD-UHFFFAOYSA-N 0 0 381.304 4.934 50 0 GJAARN CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc3ccccc3n2CC2CCCCC2)C1 ZINC000034906540 570339010 /nfs/dbraw/zinc/33/90/10/570339010.db2.gz KUCQMQJZLSMLMR-ICSRJNTNSA-N 0 0 396.579 4.748 50 0 GJAARN CCc1cc(NC(=O)Cc2cccs2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000034907246 570339335 /nfs/dbraw/zinc/33/93/35/570339335.db2.gz IZLCWTYNWRZLMY-UHFFFAOYSA-N 0 0 380.300 4.984 50 0 GJAARN COc1ccc(-n2nc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C)cc1 ZINC000034907531 570339756 /nfs/dbraw/zinc/33/97/56/570339756.db2.gz BEYQDSZGLXISGR-UHFFFAOYSA-N 0 0 376.243 4.748 50 0 GJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCc3sccc3[C@@H]2C)o1 ZINC000023967961 570340509 /nfs/dbraw/zinc/34/05/09/570340509.db2.gz RYALUVDKTMIJBS-ZDUSSCGKSA-N 0 0 392.484 4.881 50 0 GJAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)Nc1nccs1 ZINC000034911963 570342391 /nfs/dbraw/zinc/34/23/91/570342391.db2.gz NFQDUDYRLLSVLY-HJWRWDBZSA-N 0 0 378.482 4.709 50 0 GJAARN CCCOc1ccccc1NC(=O)CCn1c(=S)[nH]nc1-c1ccc(C)cc1 ZINC000022355276 570342746 /nfs/dbraw/zinc/34/27/46/570342746.db2.gz VORYPPALBNKWLC-UHFFFAOYSA-N 0 0 396.516 4.734 50 0 GJAARN Cc1ccc2nsnc2c1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000006216648 570342798 /nfs/dbraw/zinc/34/27/98/570342798.db2.gz SYEJNMLLWLTWSX-UHFFFAOYSA-N 0 0 375.453 4.831 50 0 GJAARN O=C(NCc1ccccc1)c1cn2c(n1)CC[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000034898677 570343412 /nfs/dbraw/zinc/34/34/12/570343412.db2.gz WHGRLEIHLCJNLA-QGZVFWFLSA-N 0 0 399.416 4.562 50 0 GJAARN CNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000024039375 570343677 /nfs/dbraw/zinc/34/36/77/570343677.db2.gz KKOOFIXAYDOPHG-UHFFFAOYSA-N 0 0 381.435 4.514 50 0 GJAARN O=C(c1cccs1)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 ZINC000006226185 570344236 /nfs/dbraw/zinc/34/42/36/570344236.db2.gz SCZNQIRCNCPNNZ-UHFFFAOYSA-N 0 0 384.848 4.554 50 0 GJAARN CC(C)[C@H](C(=O)N1CCC(n2cnc3ccc(F)cc32)CC1)c1ccccc1 ZINC000034915394 570344317 /nfs/dbraw/zinc/34/43/17/570344317.db2.gz FYOILRBPVIXBSP-QFIPXVFZSA-N 0 0 379.479 4.779 50 0 GJAARN CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 ZINC000023118974 570345061 /nfs/dbraw/zinc/34/50/61/570345061.db2.gz AWSHZGBIGMEDLS-UHFFFAOYSA-N 0 0 388.496 4.690 50 0 GJAARN COc1cccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2cnc3n2CCCC3)c1 ZINC000034920105 570345343 /nfs/dbraw/zinc/34/53/43/570345343.db2.gz HLBNAUNLSQLEFS-HXUWFJFHSA-N 0 0 393.462 4.528 50 0 GJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1c(Cl)cccc1Cl)CCC3 ZINC000000803774 570345641 /nfs/dbraw/zinc/34/56/41/570345641.db2.gz RDZJGYYTQZFKSA-UHFFFAOYSA-N 0 0 378.284 4.926 50 0 GJAARN C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 ZINC000006248373 570348185 /nfs/dbraw/zinc/34/81/85/570348185.db2.gz WKEIUSUGCVYODT-IRXDYDNUSA-N 0 0 392.474 4.801 50 0 GJAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccccc3)no2)o1 ZINC000023186813 570348399 /nfs/dbraw/zinc/34/83/99/570348399.db2.gz SCDKSXKKGQUHBJ-LBPRGKRZSA-N 0 0 398.419 4.691 50 0 GJAARN CN(C)C(=O)c1cccc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000022518275 570348697 /nfs/dbraw/zinc/34/86/97/570348697.db2.gz YQDLCDSFKRJGCS-MRXNPFEDSA-N 0 0 384.545 4.853 50 0 GJAARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc2c1 ZINC000010897899 570351992 /nfs/dbraw/zinc/35/19/92/570351992.db2.gz PAGNIVANADEGDU-SFHVURJKSA-N 0 0 399.494 4.796 50 0 GJAARN COc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000003877560 570352950 /nfs/dbraw/zinc/35/29/50/570352950.db2.gz XZYUCASGXRUFPV-UHFFFAOYSA-N 0 0 393.483 4.888 50 0 GJAARN O=C(N1CC[C@@H](n2cnc3ccccc32)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575615222 570353480 /nfs/dbraw/zinc/35/34/80/570353480.db2.gz CCLUKYVPNLXLCT-LJQANCHMSA-N 0 0 393.918 4.975 50 0 GJAARN Cc1nnc(-c2cn(CC(=O)Nc3ccc(C)c(Cl)c3)c3ccccc23)o1 ZINC000035423121 570354842 /nfs/dbraw/zinc/35/48/42/570354842.db2.gz HFXKFBPRFMYZKP-UHFFFAOYSA-N 0 0 380.835 4.600 50 0 GJAARN CC(C)(C)c1ccc(OC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000004023834 570354905 /nfs/dbraw/zinc/35/49/05/570354905.db2.gz DVYBVKFTMYYDAH-UHFFFAOYSA-N 0 0 376.378 4.958 50 0 GJAARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 ZINC000004889050 570356674 /nfs/dbraw/zinc/35/66/74/570356674.db2.gz LHBFUCKFXVFDJI-QHCPKHFHSA-N 0 0 381.435 4.835 50 0 GJAARN O=C(Nc1cccc2ccccc21)c1cc2cc(Br)ccc2oc1=O ZINC000004173236 570360892 /nfs/dbraw/zinc/36/08/92/570360892.db2.gz ZFLQSKLIBOOTIP-UHFFFAOYSA-N 0 0 394.224 4.961 50 0 GJAARN CC[C@@H](C)NC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000004904762 570360989 /nfs/dbraw/zinc/36/09/89/570360989.db2.gz MZHQCEUVWOPJIL-OAHLLOKOSA-N 0 0 379.504 4.527 50 0 GJAARN COc1cccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccccc2OC)c1 ZINC000004913426 570363472 /nfs/dbraw/zinc/36/34/72/570363472.db2.gz KISGPDIBMONDPR-QHCPKHFHSA-N 0 0 398.462 4.945 50 0 GJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2csc3c2CCCCC3)CC1 ZINC000004911436 570363585 /nfs/dbraw/zinc/36/35/85/570363585.db2.gz QRUWPRYTRWCACK-UHFFFAOYSA-N 0 0 388.964 4.941 50 0 GJAARN C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000006291733 570363747 /nfs/dbraw/zinc/36/37/47/570363747.db2.gz XNKRFTQULKFUMR-OAHLLOKOSA-N 0 0 386.407 4.633 50 0 GJAARN Cc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1C ZINC000004915447 570364152 /nfs/dbraw/zinc/36/41/52/570364152.db2.gz OIIHQUMXAKRCCC-QHCPKHFHSA-N 0 0 386.451 4.799 50 0 GJAARN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000006295980 570364200 /nfs/dbraw/zinc/36/42/00/570364200.db2.gz YTHRNDVPVRYINY-YVLHZVERSA-N 0 0 386.860 4.535 50 0 GJAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc3ccccc3c2)o1 ZINC000008193259 570364442 /nfs/dbraw/zinc/36/44/42/570364442.db2.gz VDNQQAIOXZOBHK-UHFFFAOYSA-N 0 0 376.437 4.873 50 0 GJAARN Cc1ccccc1CSc1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000006302789 570366600 /nfs/dbraw/zinc/36/66/00/570366600.db2.gz LOKCXGFNVMTOMQ-OAHLLOKOSA-N 0 0 375.494 4.742 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccsc2)CC1 ZINC000575621032 570369021 /nfs/dbraw/zinc/36/90/21/570369021.db2.gz XGKBPCODZTYUCI-UHFFFAOYSA-N 0 0 379.909 4.629 50 0 GJAARN COc1ccc2c(CCNC(=O)CCc3ccc(-c4ccccc4)o3)c[nH]c2c1 ZINC000033542269 570371579 /nfs/dbraw/zinc/37/15/79/570371579.db2.gz 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COc1cccc2cc(/C=C/C(=O)Nc3ccc(OC)c(OC(F)F)c3)oc21 ZINC000022762805 570378284 /nfs/dbraw/zinc/37/82/84/570378284.db2.gz WLIMJAFKQSPCQK-VQHVLOKHSA-N 0 0 389.354 4.703 50 0 GJAARN CCOC(=O)Cn1c(-c2cc(C)ccc2C)cs/c1=N\c1ccc(F)cc1 ZINC000004492464 570378767 /nfs/dbraw/zinc/37/87/67/570378767.db2.gz LLWOESLKEFQFDO-LNVKXUELSA-N 0 0 384.476 4.768 50 0 GJAARN COc1ccc(-c2noc(CN(C(=O)C3CCCCC3)C3CCCCC3)n2)cc1 ZINC000004943575 570379053 /nfs/dbraw/zinc/37/90/53/570379053.db2.gz PMLMLBJLDROYMZ-UHFFFAOYSA-N 0 0 397.519 4.987 50 0 GJAARN O=S(=O)(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1 ZINC000004501733 570379638 /nfs/dbraw/zinc/37/96/38/570379638.db2.gz HUKWTXCVDHHDGH-UHFFFAOYSA-N 0 0 384.844 4.949 50 0 GJAARN Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 ZINC000004958731 570381380 /nfs/dbraw/zinc/38/13/80/570381380.db2.gz RADWZGJXQNVBNT-UHFFFAOYSA-N 0 0 399.878 4.514 50 0 GJAARN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2cc(Cl)ccc2C)o1)c1c(C)[nH][nH]c1=O ZINC000004540781 570383053 /nfs/dbraw/zinc/38/30/53/570383053.db2.gz WNCNVRYSOZAELJ-UHFFFAOYSA-N 0 0 398.850 4.563 50 0 GJAARN Cc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)c1 ZINC000004546010 570383400 /nfs/dbraw/zinc/38/34/00/570383400.db2.gz WFWABJDSCHMCFJ-QNGOZBTKSA-N 0 0 383.403 4.559 50 0 GJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(CSc2ccccn2)CC1 ZINC000090608061 570384113 /nfs/dbraw/zinc/38/41/13/570384113.db2.gz XWWGLDUXZHYOOJ-UHFFFAOYSA-N 0 0 396.434 4.625 50 0 GJAARN CCCCSc1nnc(NC(=O)CSc2ccc3ccccc3n2)s1 ZINC000004593421 570386723 /nfs/dbraw/zinc/38/67/23/570386723.db2.gz VSNHHOKSWJGRLA-UHFFFAOYSA-N 0 0 390.559 4.709 50 0 GJAARN O=C(COc1ccc(Cl)cc1)N(CCc1cccs1)Cc1ccoc1 ZINC000090612357 570387054 /nfs/dbraw/zinc/38/70/54/570387054.db2.gz DBNHSRIXYDQOOM-UHFFFAOYSA-N 0 0 375.877 4.645 50 0 GJAARN Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1 ZINC000004622045 570388295 /nfs/dbraw/zinc/38/82/95/570388295.db2.gz CKZWAKFMBLJCHI-UHFFFAOYSA-N 0 0 383.289 4.713 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004623452 570388366 /nfs/dbraw/zinc/38/83/66/570388366.db2.gz YQEZMPKEFBETTR-UHFFFAOYSA-N 0 0 380.753 4.970 50 0 GJAARN O=C(NC1CCCCC1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000035511806 570388610 /nfs/dbraw/zinc/38/86/10/570388610.db2.gz DONWZJIHVFMMTH-UHFFFAOYSA-N 0 0 378.520 4.951 50 0 GJAARN O=C(NCc1ccc(Br)cc1)c1ccc(-c2cccc(F)c2)nc1 ZINC000035514839 570389173 /nfs/dbraw/zinc/38/91/73/570389173.db2.gz MKUILADEBTXXGH-UHFFFAOYSA-N 0 0 385.236 4.580 50 0 GJAARN COc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000004663415 570390819 /nfs/dbraw/zinc/39/08/19/570390819.db2.gz JQUWCJPNSYGTEW-UHFFFAOYSA-N 0 0 386.860 4.735 50 0 aggregator GJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NC1CCCCC1 ZINC000035537670 570390961 /nfs/dbraw/zinc/39/09/61/570390961.db2.gz BNLIVCDGRWVDOZ-INIZCTEOSA-N 0 0 391.943 4.813 50 0 GJAARN C[C@@H](Oc1ccc(F)cc1)c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 ZINC000004667834 570391556 /nfs/dbraw/zinc/39/15/56/570391556.db2.gz QURMIXRZTSUTQA-LLVKDONJSA-N 0 0 388.855 4.709 50 0 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Cc1c2ccccc2oc1C(=O)OCCOc1ccc(Br)cc1 ZINC000002634872 570591555 /nfs/dbraw/zinc/59/15/55/570591555.db2.gz CLVOWUXJJZGWIZ-UHFFFAOYSA-N 0 0 375.218 4.740 50 0 GJAARN CN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000006786892 570592570 /nfs/dbraw/zinc/59/25/70/570592570.db2.gz XWDKMDPXMFCTRW-UHFFFAOYSA-N 0 0 395.915 4.708 50 0 GJAARN Nn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(F)cc1 ZINC000006785866 570592635 /nfs/dbraw/zinc/59/26/35/570592635.db2.gz SCYKWCJWJOIYFO-UHFFFAOYSA-N 0 0 376.460 4.757 50 0 GJAARN CCc1ccc(Nc2nnc(SCC(=O)N(C)c3ccccc3)s2)cc1 ZINC000006789706 570595606 /nfs/dbraw/zinc/59/56/06/570595606.db2.gz SFGOJODNEMVCQZ-UHFFFAOYSA-N 0 0 384.530 4.599 50 0 GJAARN CCOc1ccccc1OCCCC(=O)NCc1ccc(Cl)cc1Cl ZINC000003244859 570596823 /nfs/dbraw/zinc/59/68/23/570596823.db2.gz HTINABAFPRURHZ-UHFFFAOYSA-N 0 0 382.287 4.868 50 0 GJAARN CC[C@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000012000618 570597851 /nfs/dbraw/zinc/59/78/51/570597851.db2.gz GQENRURTKVDFCI-DHLKQENFSA-N 0 0 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CCOc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1OCC(C)C ZINC000006830911 570634142 /nfs/dbraw/zinc/63/41/42/570634142.db2.gz VEGMVCJAWSFJBL-UHFFFAOYSA-N 0 0 397.500 4.891 50 0 GJAARN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4cc(C(C)C)n[nH]4)C3)ccc2c1 ZINC000012300219 570635854 /nfs/dbraw/zinc/63/58/54/570635854.db2.gz XXMBUQGZVAKEEL-FQEVSTJZSA-N 0 0 391.515 4.790 50 0 GJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(Cl)cc1F)CC(=O)N2 ZINC000036356979 570636909 /nfs/dbraw/zinc/63/69/09/570636909.db2.gz QRAGDDSXBGLQNA-LLVKDONJSA-N 0 0 392.221 4.540 50 0 GJAARN COc1ccc(C2=NN(C(=O)CSc3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000006838527 570639353 /nfs/dbraw/zinc/63/93/53/570639353.db2.gz LZJYLSHVUCJYHG-HXUWFJFHSA-N 0 0 392.480 4.758 50 0 GJAARN COc1cccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(OC(C)C)c2)c1 ZINC000036358690 570640204 /nfs/dbraw/zinc/64/02/04/570640204.db2.gz FRICJINESKAISP-LJQANCHMSA-N 0 0 377.444 4.792 50 0 GJAARN CSc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012389608 570640322 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CCOc1ccc(C(=O)Nc2ccc3sc(NC(=O)C(C)C)nc3c2)cc1 ZINC000033020316 570646365 /nfs/dbraw/zinc/64/63/65/570646365.db2.gz IBRUQDBHGKGYQJ-UHFFFAOYSA-N 0 0 383.473 4.542 50 0 GJAARN Cc1cc(SCC(=O)Nc2ccccc2C)n2ncc(-c3ccccc3)c2n1 ZINC000005561150 570647358 /nfs/dbraw/zinc/64/73/58/570647358.db2.gz ZJBIEDMFLMPTJG-UHFFFAOYSA-N 0 0 388.496 4.744 50 0 GJAARN CCCn1c2ccccc2nc1C(=O)C(N)c1nc2ccccc2n1CCC ZINC000041146046 570647745 /nfs/dbraw/zinc/64/77/45/570647745.db2.gz VRPNFNJQRVLNNN-FMQUCBEESA-N 0 0 375.476 4.549 50 0 GJAARN Cc1ccc(NC(=O)CCC(=O)N2C[C@H](C)Sc3ccccc32)cc1Cl ZINC000006857639 570649889 /nfs/dbraw/zinc/64/98/89/570649889.db2.gz ZUAWCSJFHZPQTG-AWEZNQCLSA-N 0 0 388.920 4.895 50 0 GJAARN C[C@@H](CNC(=O)c1cnn2c1nccc2-c1ccc(Cl)cc1)c1ccccc1 ZINC000065026730 570649931 /nfs/dbraw/zinc/64/99/31/570649931.db2.gz BBFXVKVPXDVGDT-HNNXBMFYSA-N 0 0 390.874 4.583 50 0 GJAARN Cc1ccc([C@H](C)NC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1 ZINC000065025687 570650311 /nfs/dbraw/zinc/65/03/11/570650311.db2.gz 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COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(Nc2ccccc2)C1=O ZINC000005600150 570667138 /nfs/dbraw/zinc/66/71/38/570667138.db2.gz DOTWWLHYEROJMM-LTGZKZEYSA-N 0 0 383.451 4.661 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000097286369 570667741 /nfs/dbraw/zinc/66/77/41/570667741.db2.gz IDPSTQYYMAQZRY-INIZCTEOSA-N 0 0 395.890 4.560 50 0 GJAARN COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCCOC(C)C)cc1 ZINC000005607517 570668445 /nfs/dbraw/zinc/66/84/45/570668445.db2.gz QEBQARQVJYCJCZ-UHFFFAOYSA-N 0 0 388.847 4.926 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1c(F)cccc1Cl ZINC000013695050 570669004 /nfs/dbraw/zinc/66/90/04/570669004.db2.gz RJDKTHQOCWRQQI-UHFFFAOYSA-N 0 0 386.854 4.811 50 0 GJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000006880031 570670702 /nfs/dbraw/zinc/67/07/02/570670702.db2.gz PWMKMZZBFFJVPS-SECBINFHSA-N 0 0 395.253 4.604 50 0 GJAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1OC ZINC000072328521 570674958 /nfs/dbraw/zinc/67/49/58/570674958.db2.gz 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570679552 /nfs/dbraw/zinc/67/95/52/570679552.db2.gz ISKFJHDZBCZUMS-UHFFFAOYSA-N 0 0 390.844 4.547 50 0 GJAARN COc1ccc([C@@H]2CCCN2Cc2cccc(Br)c2)cc1OC ZINC000036396153 570679738 /nfs/dbraw/zinc/67/97/38/570679738.db2.gz MOIGCLVVXOISNC-KRWDZBQOSA-N 0 0 376.294 4.803 50 0 GJAARN Cc1ccc(C)c(Cn2c(C(=O)NCc3ccc(F)cc3)cc3occc32)c1 ZINC000004345790 570679984 /nfs/dbraw/zinc/67/99/84/570679984.db2.gz MTIGACXDSDFYDX-UHFFFAOYSA-N 0 0 376.431 4.969 50 0 GJAARN CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1nc(-c2ccccc2)no1 ZINC000238937279 570680525 /nfs/dbraw/zinc/68/05/25/570680525.db2.gz UXMBLGSAWABRQJ-IBGZPJMESA-N 0 0 388.427 4.519 50 0 GJAARN Cc1ccccc1-c1nc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)no1 ZINC000065076776 570681070 /nfs/dbraw/zinc/68/10/70/570681070.db2.gz HKCVSSFEZWGGCA-UHFFFAOYSA-N 0 0 395.890 4.647 50 0 GJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1OC ZINC000006886827 570681230 /nfs/dbraw/zinc/68/12/30/570681230.db2.gz RGGJHKAMMURHQI-UHFFFAOYSA-N 0 0 383.366 4.520 50 0 GJAARN Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)CCS1 ZINC000219290580 570681828 /nfs/dbraw/zinc/68/18/28/570681828.db2.gz ZRIWQWVZDGHRQZ-OAQYLSRUSA-N 0 0 377.513 4.501 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000180045948 570685869 /nfs/dbraw/zinc/68/58/69/570685869.db2.gz UPJGSEVNPJXYHW-UHFFFAOYSA-N 0 0 399.422 4.615 50 0 GJAARN Cc1nn(C)c(C)c1CN(Cc1nc(-c2ccc(Cl)cc2)oc1C)C1CC1 ZINC000012594072 570688623 /nfs/dbraw/zinc/68/86/23/570688623.db2.gz XOHORXRODGNXLM-UHFFFAOYSA-N 0 0 384.911 4.818 50 0 GJAARN CC[C@H](Sc1nnc(C)n2c3ccoc3cc12)C(=O)Nc1ccccc1C ZINC000006894132 570693275 /nfs/dbraw/zinc/69/32/75/570693275.db2.gz UQHIQDWBCUXWLG-SFHVURJKSA-N 0 0 380.473 4.602 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1c1ccc2c(c1)OCCO2 ZINC000012632026 570693729 /nfs/dbraw/zinc/69/37/29/570693729.db2.gz LETMLQNTDROGQS-NRFANRHFSA-N 0 0 394.377 4.507 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1cnccn1 ZINC000065092487 570694497 /nfs/dbraw/zinc/69/44/97/570694497.db2.gz 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O=c1c(Cl)c(Cl)cnn1CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000058161850 570712998 /nfs/dbraw/zinc/71/29/98/570712998.db2.gz NFVRSYZFXQHKKE-UHFFFAOYSA-N 0 0 386.710 4.610 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000006940095 570713342 /nfs/dbraw/zinc/71/33/42/570713342.db2.gz CVPHWSLUIFHGAQ-INIZCTEOSA-N 0 0 388.446 4.602 50 0 GJAARN COc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl ZINC000058165446 570713526 /nfs/dbraw/zinc/71/35/26/570713526.db2.gz RLMQKDXUHVOHKL-UHFFFAOYSA-N 0 0 380.875 4.666 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)Cc3c(F)cccc3Cl)s2)cs1 ZINC000012791577 570714207 /nfs/dbraw/zinc/71/42/07/570714207.db2.gz ALZFFRKHONGTDK-UHFFFAOYSA-N 0 0 394.924 4.874 50 0 GJAARN Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3C)nc2c1 ZINC000001218886 570714197 /nfs/dbraw/zinc/71/41/97/570714197.db2.gz KXDNMDJIZZAPIW-UHFFFAOYSA-N 0 0 391.452 4.831 50 0 GJAARN Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(Br)c1 ZINC000012793888 570715281 /nfs/dbraw/zinc/71/52/81/570715281.db2.gz 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ZINC000041077039 570718886 /nfs/dbraw/zinc/71/88/86/570718886.db2.gz GNMFHQOPGXCBGX-UHFFFAOYSA-N 0 0 387.842 4.763 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn32)c1 ZINC000006970927 570724463 /nfs/dbraw/zinc/72/44/63/570724463.db2.gz FJCUHBILLSUDTD-UHFFFAOYSA-N 0 0 387.439 4.579 50 0 GJAARN O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(-c2nnco2)cc1 ZINC000058291448 570725062 /nfs/dbraw/zinc/72/50/62/570725062.db2.gz RVYAPNDKIFTPOT-UHFFFAOYSA-N 0 0 379.803 4.561 50 0 GJAARN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc32)on1 ZINC000011175733 570725814 /nfs/dbraw/zinc/72/58/14/570725814.db2.gz XAOYFBYBNNQFGX-CQSZACIVSA-N 0 0 390.468 4.713 50 0 GJAARN Cc1nn2c(nc(-c3ccc(C)cc3)c2NC(=O)c2ccc(Cl)cc2)s1 ZINC000000936618 570727367 /nfs/dbraw/zinc/72/73/67/570727367.db2.gz IFTNTXGAIACWPL-UHFFFAOYSA-N 0 0 382.876 4.980 50 0 GJAARN c1nnc(SCc2c(-c3ccccc3)nc3ccccn32)n1-c1ccccc1 ZINC000032671879 570727422 /nfs/dbraw/zinc/72/74/22/570727422.db2.gz BWIOPBXUGBGMBL-UHFFFAOYSA-N 0 0 383.480 4.874 50 0 GJAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2ccccc2)cc1 ZINC000000938259 570730630 /nfs/dbraw/zinc/73/06/30/570730630.db2.gz ZNNAGOJYHJWUHM-UHFFFAOYSA-N 0 0 386.403 4.730 50 0 GJAARN COc1cccc2cc([C@@H](C)NC(=O)c3ccn(-c4cccc(Cl)c4)n3)oc21 ZINC000058393420 570730912 /nfs/dbraw/zinc/73/09/12/570730912.db2.gz RRRCFFYLYGEHGX-CYBMUJFWSA-N 0 0 395.846 4.772 50 0 GJAARN O=C(/C=C/c1ccc(Br)s1)Nc1cccc(-c2cnco2)c1 ZINC000058404673 570731304 /nfs/dbraw/zinc/73/13/04/570731304.db2.gz AVXHMJZNWUXSNF-FNORWQNLSA-N 0 0 375.247 4.818 50 0 GJAARN COc1cccc(N2C(=S)N=NC2CSCc2ccc(F)cc2Cl)c1 ZINC000006398692 570732441 /nfs/dbraw/zinc/73/24/41/570732441.db2.gz ZTGFRLIWNOFPBT-UHFFFAOYSA-N 0 0 395.912 4.791 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000058430315 570732947 /nfs/dbraw/zinc/73/29/47/570732947.db2.gz ZLNNWEAPTBESTG-QMMMGPOBSA-N 0 0 382.873 4.661 50 0 GJAARN Cc1c(C(=O)NCCc2ccccc2C(F)(F)F)sc2nc(C)nc(C)c12 ZINC000058426838 570732983 /nfs/dbraw/zinc/73/29/83/570732983.db2.gz LRZVHYBPPIFDBW-UHFFFAOYSA-N 0 0 393.434 4.608 50 0 GJAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000065219064 570735170 /nfs/dbraw/zinc/73/51/70/570735170.db2.gz VWZMALCVBPBWIR-UHFFFAOYSA-N 0 0 395.415 4.865 50 0 GJAARN Cc1cc(C(=O)CCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(C)s1 ZINC000011181290 570735684 /nfs/dbraw/zinc/73/56/84/570735684.db2.gz JNIFYSBJMRCACX-UHFFFAOYSA-N 0 0 396.468 4.812 50 0 GJAARN COc1ccc(C)cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012982266 570736436 /nfs/dbraw/zinc/73/64/36/570736436.db2.gz APZMSAITUVCDQM-HSZRJFAPSA-N 0 0 392.524 4.651 50 0 GJAARN COc1c(C)cnc(CN(C)C(=O)/C=C/c2c(Cl)cccc2Cl)c1C ZINC000058958431 570736463 /nfs/dbraw/zinc/73/64/63/570736463.db2.gz PIISUEACAHGDQV-CMDGGOBGSA-N 0 0 379.287 4.686 50 0 GJAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000007005591 570736524 /nfs/dbraw/zinc/73/65/24/570736524.db2.gz XTZAKJOQFBZKKG-UHFFFAOYSA-N 0 0 376.865 4.667 50 0 GJAARN CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(NC(C)=O)cc1 ZINC000000955151 570737522 /nfs/dbraw/zinc/73/75/22/570737522.db2.gz GESSFIHMJCBDMQ-UHFFFAOYSA-N 0 0 377.444 4.676 50 0 GJAARN CC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(C)c1)c2=O ZINC000000957160 570738729 /nfs/dbraw/zinc/73/87/29/570738729.db2.gz GEJMRZSGJUWPEY-UHFFFAOYSA-N 0 0 392.329 4.880 50 0 GJAARN O=C(NC[C@@]1(c2ccccc2)CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000065226131 570739018 /nfs/dbraw/zinc/73/90/18/570739018.db2.gz WEMJFRSFQWLTSD-HXUWFJFHSA-N 0 0 377.406 4.574 50 0 GJAARN O=C(CSCc1cc(=O)oc2cc3c(cc12)CCC3)Nc1cccc(Cl)c1 ZINC000007006888 570739380 /nfs/dbraw/zinc/73/93/80/570739380.db2.gz ZVUYVVFFWRIHDO-UHFFFAOYSA-N 0 0 399.899 4.807 50 0 GJAARN CCOc1ccc(CCNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OCC ZINC000007007379 570739456 /nfs/dbraw/zinc/73/94/56/570739456.db2.gz ILRGKYQCESPJLN-UHFFFAOYSA-N 0 0 380.488 4.555 50 0 GJAARN CCOc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000954945 570740066 /nfs/dbraw/zinc/74/00/66/570740066.db2.gz HVQXOSAAXMMCLG-CSKARUKUSA-N 0 0 394.254 4.587 50 0 GJAARN Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000000970389 570740809 /nfs/dbraw/zinc/74/08/09/570740809.db2.gz NKZLIIMPZVGWCV-UHFFFAOYSA-N 0 0 393.057 4.966 50 0 GJAARN O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C1(c2cccs2)CCCC1 ZINC000585148022 570742037 /nfs/dbraw/zinc/74/20/37/570742037.db2.gz MKWCPMBUHKRWPN-GOSISDBHSA-N 0 0 381.497 4.670 50 0 GJAARN COc1ccc2nc(Cl)c([C@H]3Nc4sc5c(c4C(=O)N3)CCCC5)cc2c1 ZINC000000976991 570742118 /nfs/dbraw/zinc/74/21/18/570742118.db2.gz ZAOKWVXCVDGNSH-GOSISDBHSA-N 0 0 399.903 4.691 50 0 GJAARN C[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1cc(F)c(Cl)cc1Cl ZINC000013038727 570742616 /nfs/dbraw/zinc/74/26/16/570742616.db2.gz CLAPQDXKOALYEU-QMMMGPOBSA-N 0 0 377.193 4.700 50 0 GJAARN CC[C@@H]1CN(CC(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2S1 ZINC000033059283 570744330 /nfs/dbraw/zinc/74/43/30/570744330.db2.gz KZZDCIVALROVLL-CQSZACIVSA-N 0 0 399.541 4.634 50 0 GJAARN CCN1c2ccc(C(=O)Nc3ccccc3F)cc2Sc2ncccc2C1=O ZINC000065241339 570745389 /nfs/dbraw/zinc/74/53/89/570745389.db2.gz BYUFYVMEGFALJA-UHFFFAOYSA-N 0 0 393.443 4.604 50 0 GJAARN CCN(CC)c1nc(Nc2cc(C)ccc2C)nc(Nc2ccccc2O)n1 ZINC000001021429 570747130 /nfs/dbraw/zinc/74/71/30/570747130.db2.gz YVHHPQKCJBJYSC-UHFFFAOYSA-N 0 0 378.480 4.527 50 0 GJAARN Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)c(C)c1 ZINC000033063730 570749009 /nfs/dbraw/zinc/74/90/09/570749009.db2.gz PJCCVXLOZJSQML-UHFFFAOYSA-N 0 0 380.513 4.634 50 0 GJAARN Cn1c2ccccc2nc1-c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 ZINC000013146700 570749056 /nfs/dbraw/zinc/74/90/56/570749056.db2.gz YRNYPXPYNHRXHD-UHFFFAOYSA-N 0 0 390.450 4.710 50 0 GJAARN COc1ccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc32)cc1 ZINC000065250638 570749642 /nfs/dbraw/zinc/74/96/42/570749642.db2.gz HSIRMGQEGRTHOZ-UHFFFAOYSA-N 0 0 375.432 4.864 50 0 GJAARN Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnc(C(C)(C)C)nc3)nc12 ZINC000063857250 570751725 /nfs/dbraw/zinc/75/17/25/570751725.db2.gz RPSDWXVQGYFXDX-UHFFFAOYSA-N 0 0 376.504 4.778 50 0 GJAARN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1ccc(Cl)cc1 ZINC000001088457 570752115 /nfs/dbraw/zinc/75/21/15/570752115.db2.gz RPFGFJYCLZGDQA-UHFFFAOYSA-N 0 0 396.697 4.710 50 0 GJAARN FC(F)(Cl)[C@](F)(Cl)[C@](F)(Br)C(F)(F)Br ZINC000064370157 570754045 /nfs/dbraw/zinc/75/40/45/570754045.db2.gz FCMYQABQAFPAEV-NCGGTJAESA-N 0 0 392.746 4.771 50 0 GJAARN Cc1cccn2cc(-c3ccccc3NC(=O)Cc3noc4ccccc43)nc12 ZINC000206900927 570754889 /nfs/dbraw/zinc/75/48/89/570754889.db2.gz KWPRNSVEWUQYEU-UHFFFAOYSA-N 0 0 382.423 4.632 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1 ZINC000206893016 570754918 /nfs/dbraw/zinc/75/49/18/570754918.db2.gz CEIWSUMQLTYAGS-DHZHZOJOSA-N 0 0 375.453 4.723 50 0 GJAARN CCn1nccc1CNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000036614040 570758012 /nfs/dbraw/zinc/75/80/12/570758012.db2.gz HYJGPHVEYMVKCU-UHFFFAOYSA-N 0 0 381.789 4.644 50 0 GJAARN Cc1cc(C)cc(C(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1 ZINC000065257863 570758953 /nfs/dbraw/zinc/75/89/53/570758953.db2.gz ZQJOPLANKPOHRF-UHFFFAOYSA-N 0 0 375.472 4.943 50 0 GJAARN CCn1cc(C(=O)CSc2nnc(C)n2-c2ccccc2)c2ccccc21 ZINC000007458965 570759213 /nfs/dbraw/zinc/75/92/13/570759213.db2.gz ORVCHXGSINRNKX-UHFFFAOYSA-N 0 0 376.485 4.525 50 0 GJAARN Clc1ccccc1CNc1nnc(-c2nc(C3CC3)no2)c2ccccc21 ZINC000065258273 570759826 /nfs/dbraw/zinc/75/98/26/570759826.db2.gz CKWKPLFYODYPPH-UHFFFAOYSA-N 0 0 377.835 4.823 50 0 GJAARN CCc1nnc(-c2nnc(NCc3ccc(OC(C)C)cc3)c3ccccc32)o1 ZINC000065258211 570759853 /nfs/dbraw/zinc/75/98/53/570759853.db2.gz BAZISPCDCAFXLU-UHFFFAOYSA-N 0 0 389.459 4.642 50 0 GJAARN CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(F)c1 ZINC000041078082 570762832 /nfs/dbraw/zinc/76/28/32/570762832.db2.gz LOPLHADAUDKOPU-UHFFFAOYSA-N 0 0 381.451 4.728 50 0 GJAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)cc1 ZINC000013618919 570763314 /nfs/dbraw/zinc/76/33/14/570763314.db2.gz HAZNACUBZUNFAU-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN CC(=O)Nc1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 ZINC000206991700 570767277 /nfs/dbraw/zinc/76/72/77/570767277.db2.gz ZAPHVFKWRVVCSS-LJQANCHMSA-N 0 0 388.920 4.619 50 0 GJAARN O=C(Cc1noc2ccccc21)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206991633 570767328 /nfs/dbraw/zinc/76/73/28/570767328.db2.gz YJCKHYQNOJKXAQ-IBGZPJMESA-N 0 0 386.904 4.731 50 0 GJAARN O=C(c1cc(-c2cccnc2)on1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206997765 570768737 /nfs/dbraw/zinc/76/87/37/570768737.db2.gz GKCSTLRRRJIETJ-IBGZPJMESA-N 0 0 399.903 4.710 50 0 GJAARN O=S(=O)(/C=C/c1ccccc1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000207001273 570770511 /nfs/dbraw/zinc/77/05/11/570770511.db2.gz RATMYVBMHVPNPH-FERCGXDMSA-N 0 0 393.961 4.821 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000021944804 570772861 /nfs/dbraw/zinc/77/28/61/570772861.db2.gz ODCNOUZLRUDWOQ-UHFFFAOYSA-N 0 0 387.414 4.696 50 0 GJAARN Brc1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn32)cc1 ZINC000013682030 570773448 /nfs/dbraw/zinc/77/34/48/570773448.db2.gz LFVROMYLKMVBLQ-UHFFFAOYSA-N 0 0 396.273 4.764 50 0 GJAARN Cc1nc(Nc2ccccn2)sc1C(=O)Nc1ccc(Br)cc1 ZINC000096602409 570774672 /nfs/dbraw/zinc/77/46/72/570774672.db2.gz NUBBAPSRWRSKJK-UHFFFAOYSA-N 0 0 389.278 4.605 50 0 GJAARN CC(C)Cc1cc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn32)n[nH]1 ZINC000013689721 570775190 /nfs/dbraw/zinc/77/51/90/570775190.db2.gz VTEPEJUEZOUANQ-UHFFFAOYSA-N 0 0 393.303 4.748 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000013689596 570775202 /nfs/dbraw/zinc/77/52/02/570775202.db2.gz SMQSPIOFEWEYLP-UHFFFAOYSA-N 0 0 397.931 4.734 50 0 GJAARN COc1cc(C)c(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000007057742 570775328 /nfs/dbraw/zinc/77/53/28/570775328.db2.gz XSPLSBMBOKNBJC-NSHDSACASA-N 0 0 383.275 4.758 50 0 GJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000007060788 570777340 /nfs/dbraw/zinc/77/73/40/570777340.db2.gz WQPYZTUIJLHLOW-FQEVSTJZSA-N 0 0 378.859 4.840 50 0 GJAARN COc1ccc2nc(-c3nn4c(nnc4-c4ccc(Cl)cc4)s3)ccc2c1 ZINC000013721397 570780387 /nfs/dbraw/zinc/78/03/87/570780387.db2.gz ZXGBEVDANGNVMI-UHFFFAOYSA-N 0 0 393.859 4.730 50 0 GJAARN COc1ccc(Cl)cc1COC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000036648323 570782792 /nfs/dbraw/zinc/78/27/92/570782792.db2.gz CFEVWBDPLDONCY-UHFFFAOYSA-N 0 0 391.851 4.897 50 0 GJAARN COCc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000032739227 570784989 /nfs/dbraw/zinc/78/49/89/570784989.db2.gz NRXVTWNCCRYQGW-KRWDZBQOSA-N 0 0 388.467 4.576 50 0 GJAARN CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000032740574 570786241 /nfs/dbraw/zinc/78/62/41/570786241.db2.gz NOVKDRLTHJIHOT-UHFFFAOYSA-N 0 0 387.483 4.814 50 0 GJAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccncc2)c1C ZINC000013759371 570786292 /nfs/dbraw/zinc/78/62/92/570786292.db2.gz DMKROGSXDNTULY-UHFFFAOYSA-N 0 0 397.478 4.695 50 0 GJAARN Cc1ccc(CNC(=O)c2ccn3c(c2)nnc3-c2ccccc2Cl)cc1C ZINC000065296382 570787100 /nfs/dbraw/zinc/78/71/00/570787100.db2.gz VGYAGGWRADGORB-UHFFFAOYSA-N 0 0 390.874 4.597 50 0 GJAARN CCc1ccc([C@H](C)NC(=O)c2ccccc2OCc2c(C)noc2C)cc1 ZINC000036674816 570788107 /nfs/dbraw/zinc/78/81/07/570788107.db2.gz GHAGFMWVBAFQOC-HNNXBMFYSA-N 0 0 378.472 4.924 50 0 GJAARN CC(C)c1ccccc1-n1ccnc1SCC(=O)N(C)Cc1ccsc1 ZINC000007098902 570788426 /nfs/dbraw/zinc/78/84/26/570788426.db2.gz PFVSNJDTAXFCRY-UHFFFAOYSA-N 0 0 385.558 4.808 50 0 GJAARN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3ncoc3C(C)C)CC2)c1 ZINC000067739507 570789197 /nfs/dbraw/zinc/78/91/97/570789197.db2.gz ULZLMRVVNJHKGH-UHFFFAOYSA-N 0 0 378.476 4.516 50 0 GJAARN Cc1cc(C)cc(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)c1 ZINC000067804321 570791778 /nfs/dbraw/zinc/79/17/78/570791778.db2.gz YRAKSZIMHFGKNV-UHFFFAOYSA-N 0 0 376.504 4.505 50 0 GJAARN CC(C)[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 ZINC000032744978 570792170 /nfs/dbraw/zinc/79/21/70/570792170.db2.gz CWVIKDSIJGEROH-NRFANRHFSA-N 0 0 397.494 4.583 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1Cc1ccco1 ZINC000007112894 570792219 /nfs/dbraw/zinc/79/22/19/570792219.db2.gz AHBSYPAZSSFTHB-INIZCTEOSA-N 0 0 389.274 4.870 50 0 GJAARN CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccccc1 ZINC000011020622 570793293 /nfs/dbraw/zinc/79/32/93/570793293.db2.gz LIZRFNXTVVEYDK-UHFFFAOYSA-N 0 0 385.361 4.953 50 0 GJAARN O=C(CCCSc1nc2ccccc2s1)Nc1ccc2c(c1)OCCO2 ZINC000005843119 570796824 /nfs/dbraw/zinc/79/68/24/570796824.db2.gz NJAFIHDPYWQDBY-UHFFFAOYSA-N 0 0 386.498 4.579 50 0 GJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc2cc(F)ccc2[nH]1 ZINC000032755173 570797820 /nfs/dbraw/zinc/79/78/20/570797820.db2.gz WKZDSWZFWPYCDU-HXUWFJFHSA-N 0 0 385.870 4.527 50 0 GJAARN CC(C)CCNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)NCCC(C)C ZINC000005860771 570797919 /nfs/dbraw/zinc/79/79/19/570797919.db2.gz APGMJXOOBMSYHE-UHFFFAOYSA-N 0 0 399.362 4.701 50 0 GJAARN Cc1cc2oc(=O)cc(CSc3nnc(-c4ccco4)n3C)c2cc1C(C)C ZINC000005863479 570798298 /nfs/dbraw/zinc/79/82/98/570798298.db2.gz HQYXNMPRZNSXCJ-UHFFFAOYSA-N 0 0 395.484 4.906 50 0 GJAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000065322205 570800254 /nfs/dbraw/zinc/80/02/54/570800254.db2.gz RPIRTQJKECHNPO-UHFFFAOYSA-N 0 0 390.531 4.993 50 0 GJAARN COc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1OC ZINC000004487773 570800289 /nfs/dbraw/zinc/80/02/89/570800289.db2.gz DTBSYIVQERUDJK-UHFFFAOYSA-N 0 0 388.876 4.662 50 0 GJAARN CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1cccc(C)c1 ZINC000007141070 570804017 /nfs/dbraw/zinc/80/40/17/570804017.db2.gz WRPPQPIDWHMSSQ-UHFFFAOYSA-N 0 0 377.469 4.943 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1cnc(N2CCCC2)c2ccccc12 ZINC000033073299 570804534 /nfs/dbraw/zinc/80/45/34/570804534.db2.gz FVCAKGRPTKGXEG-UHFFFAOYSA-N 0 0 381.863 4.749 50 0 GJAARN CN(C(=O)Nc1c(F)cccc1Oc1ccccc1)[C@@H]1CCCc2c1cnn2C ZINC000120745350 570804565 /nfs/dbraw/zinc/80/45/65/570804565.db2.gz RHJDBRIQQZAUTE-GOSISDBHSA-N 0 0 394.450 4.893 50 0 GJAARN Cc1c(C(=O)NCc2ccccc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078852 570805321 /nfs/dbraw/zinc/80/53/21/570805321.db2.gz IZARGJYLMLNKPD-UHFFFAOYSA-N 0 0 394.544 4.699 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 ZINC000005938883 570806154 /nfs/dbraw/zinc/80/61/54/570806154.db2.gz BRVSSFPMDAJUKT-SFHVURJKSA-N 0 0 378.501 4.663 50 0 GJAARN COc1ccccc1C(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000007160643 570806435 /nfs/dbraw/zinc/80/64/35/570806435.db2.gz NBDUQUYSJCYVCU-UHFFFAOYSA-N 0 0 378.375 4.632 50 0 GJAARN COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc(OC)c1OC ZINC000033087908 570807228 /nfs/dbraw/zinc/80/72/28/570807228.db2.gz FAQAWSLWVZMROX-AGRHKRQWSA-N 0 0 375.852 4.610 50 0 GJAARN O=C(N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21)C12CC3CC(CC(C3)C1)C2 ZINC000005949060 570807710 /nfs/dbraw/zinc/80/77/10/570807710.db2.gz HFLDOGSQQOTPAO-RESPQDPKSA-N 0 0 389.495 4.880 50 0 GJAARN Cc1nn(CCNC(=O)c2cc(Cl)ccc2Cl)c(C)c1-c1ccccc1 ZINC000238874420 570809174 /nfs/dbraw/zinc/80/91/74/570809174.db2.gz NRPHKESQFUORNE-UHFFFAOYSA-N 0 0 388.298 4.904 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc1 ZINC000033106109 570810605 /nfs/dbraw/zinc/81/06/05/570810605.db2.gz CGDFVLGYFAMQOU-UHFFFAOYSA-N 0 0 378.453 4.644 50 0 GJAARN Cc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)o1 ZINC000007179930 570811001 /nfs/dbraw/zinc/81/10/01/570811001.db2.gz NPZLTRCQZYNIBX-GOSISDBHSA-N 0 0 379.485 4.501 50 0 GJAARN Cc1ccc(-c2nc(CSCc3cc(=O)n4cc(C)ccc4n3)cs2)cc1 ZINC000032778695 570811739 /nfs/dbraw/zinc/81/17/39/570811739.db2.gz WWIYGQAUVUWDCO-UHFFFAOYSA-N 0 0 393.537 4.868 50 0 GJAARN Cc1cccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1C ZINC000004663447 570811924 /nfs/dbraw/zinc/81/19/24/570811924.db2.gz KZMCVCOYUNUMGV-UHFFFAOYSA-N 0 0 387.439 4.833 50 0 GJAARN CCC(=O)N1c2ccccc2N2C(c3c(C)c(C)c(Cl)c(C)c3C)=NON12 ZINC000004661940 570812012 /nfs/dbraw/zinc/81/20/12/570812012.db2.gz QBHNLCCSKOHKAG-UHFFFAOYSA-N 0 0 384.867 4.576 50 0 GJAARN Cc1cc(NC(=O)CCSCc2csc(-c3ccc(F)cc3)n2)no1 ZINC000032778869 570812139 /nfs/dbraw/zinc/81/21/39/570812139.db2.gz CQWQFLSAXXNYCX-UHFFFAOYSA-N 0 0 377.466 4.508 50 0 GJAARN O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1 ZINC000004496867 570812877 /nfs/dbraw/zinc/81/28/77/570812877.db2.gz UIKUGFMLNNHRCP-UHFFFAOYSA-N 0 0 377.828 4.650 50 0 GJAARN C[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000005692199 570813231 /nfs/dbraw/zinc/81/32/31/570813231.db2.gz CZBGYXWGUNBRSL-GFCCVEGCSA-N 0 0 386.860 4.648 50 0 GJAARN COc1ccc(/C=C2\c3ccccc3C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000036783873 570813392 /nfs/dbraw/zinc/81/33/92/570813392.db2.gz VQWJNJWRMLFQDH-XSFVSMFZSA-N 0 0 399.446 4.740 50 0 GJAARN C[C@H]1CCN(C(=O)CSc2nc3ccccc3n2C)c2ccccc2S1 ZINC000007191922 570813427 /nfs/dbraw/zinc/81/34/27/570813427.db2.gz AKWXGYRLIWGQFC-AWEZNQCLSA-N 0 0 383.542 4.583 50 0 GJAARN Cc1ccc2cccc(OS(=O)(=O)c3cc(C)c(Cl)cc3Cl)c2n1 ZINC000004498933 570813961 /nfs/dbraw/zinc/81/39/61/570813961.db2.gz HSYCEBDDIBVOPD-UHFFFAOYSA-N 0 0 382.268 4.926 50 0 GJAARN CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(Nc3ccccc3S2)S1 ZINC000004499220 570814110 /nfs/dbraw/zinc/81/41/10/570814110.db2.gz QQMRFAGNUMWLKF-QGZVFWFLSA-N 0 0 391.905 4.599 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(C4CCCCC4)n3)cc2)cc1 ZINC000033122858 570815155 /nfs/dbraw/zinc/81/51/55/570815155.db2.gz XCRNVROBPLINIK-UHFFFAOYSA-N 0 0 397.500 4.894 50 0 GJAARN Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000032795339 570815487 /nfs/dbraw/zinc/81/54/87/570815487.db2.gz YVKIOXOUFYJENN-VFNWGFHPSA-N 0 0 394.496 4.935 50 0 GJAARN COc1cc([C@H]2Nc3sc(C)c(C)c3C(=O)N2)ccc1OCc1ccccc1 ZINC000004502004 570817385 /nfs/dbraw/zinc/81/73/85/570817385.db2.gz YKVVHVJMBIWFQY-HXUWFJFHSA-N 0 0 394.496 4.807 50 0 GJAARN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(Br)c2)cc1C ZINC000032796171 570818059 /nfs/dbraw/zinc/81/80/59/570818059.db2.gz YOLVWDUFUFTUOQ-HNNXBMFYSA-N 0 0 388.305 4.906 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)N[C@@H](C)c3cccc4ccccc43)nc2c1 ZINC000007241027 570818185 /nfs/dbraw/zinc/81/81/85/570818185.db2.gz USYFTQGMURLPNJ-AWEZNQCLSA-N 0 0 391.496 4.694 50 0 GJAARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Cl)c2cccnc12 ZINC000031645487 570818798 /nfs/dbraw/zinc/81/87/98/570818798.db2.gz OIPCJYWBFCYMCJ-UHFFFAOYSA-N 0 0 390.657 4.953 50 0 GJAARN CC(C)(C)c1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)on1 ZINC000032797364 570819387 /nfs/dbraw/zinc/81/93/87/570819387.db2.gz BNDHMKZRIVWTJG-NRFANRHFSA-N 0 0 395.528 4.620 50 0 GJAARN N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1 ZINC000004673497 570820000 /nfs/dbraw/zinc/82/00/00/570820000.db2.gz PWHSITCITDTFFJ-NVNXTCNLSA-N 0 0 379.268 4.711 50 0 GJAARN COc1cccc(NC(=O)[C@@H](Sc2nc(C)c(C)c(C)n2)c2ccccc2)c1 ZINC000007252517 570820900 /nfs/dbraw/zinc/82/09/00/570820900.db2.gz XEQIONSJGSFLFT-FQEVSTJZSA-N 0 0 393.512 4.883 50 0 GJAARN CCC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](OC(=O)CC)[C@@]3(C)CC[C@H]21 ZINC000239121287 570821308 /nfs/dbraw/zinc/82/13/08/570821308.db2.gz JQIYNMYZKRGDFK-NQZVWWGESA-N 0 0 384.516 5.180 50 0 biogenic GJAARN O=C(CN1CCCC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000012487078 570821495 /nfs/dbraw/zinc/82/14/95/570821495.db2.gz IONAVPUHEDLFJM-UHFFFAOYSA-N 0 0 395.503 4.578 50 0 GJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)s1 ZINC000007269589 570823008 /nfs/dbraw/zinc/82/30/08/570823008.db2.gz FXWYPNVYRFNSGZ-UHFFFAOYSA-N 0 0 397.481 4.506 50 0 GJAARN CCCCc1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001903681 570824151 /nfs/dbraw/zinc/82/41/51/570824151.db2.gz QFVSAOGGIKQWJT-UHFFFAOYSA-N 0 0 382.891 4.503 50 0 GJAARN O=c1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000007285894 570824779 /nfs/dbraw/zinc/82/47/79/570824779.db2.gz JIGRSGHUWHGBCZ-DOTOQJQBSA-N 0 0 379.529 4.664 50 0 GJAARN COCc1c(C(=O)Nc2nc(-c3cccnc3)cs2)sc2cccc(F)c21 ZINC000012515579 570825140 /nfs/dbraw/zinc/82/51/40/570825140.db2.gz ALTQNTGHAABNQL-UHFFFAOYSA-N 0 0 399.472 4.958 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000033141880 570827782 /nfs/dbraw/zinc/82/77/82/570827782.db2.gz NHZSRYGUFFRLEU-UHFFFAOYSA-N 0 0 375.472 4.603 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 ZINC000007317569 570828894 /nfs/dbraw/zinc/82/88/94/570828894.db2.gz QQDWIMMCLWBPKI-NRFANRHFSA-N 0 0 394.544 4.905 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000004687472 570833721 /nfs/dbraw/zinc/83/37/21/570833721.db2.gz HQFHKAJQGRZEJA-HWQJWEFDSA-N 0 0 386.904 4.954 50 0 GJAARN COc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005252 570833987 /nfs/dbraw/zinc/83/39/87/570833987.db2.gz UPCHZVONYWGSAC-MRXNPFEDSA-N 0 0 390.487 4.705 50 0 GJAARN CCOC(=O)[C@H](NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C(C)C ZINC000033169263 570834719 /nfs/dbraw/zinc/83/47/19/570834719.db2.gz LKNDULPVMJJBRD-GOSISDBHSA-N 0 0 397.500 4.673 50 0 GJAARN COc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000003203531 570836676 /nfs/dbraw/zinc/83/66/76/570836676.db2.gz MCVWJULZOZZYRL-UHFFFAOYSA-N 0 0 388.448 4.788 50 0 GJAARN Cc1cc(C)cc(N(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000065592571 570838069 /nfs/dbraw/zinc/83/80/69/570838069.db2.gz VNGWBROOTRWEDX-UHFFFAOYSA-N 0 0 375.497 4.905 50 0 GJAARN CC[C@H](C(=O)OCC(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 ZINC000003217151 570838120 /nfs/dbraw/zinc/83/81/20/570838120.db2.gz LASIUGUSJXEJSI-SFHVURJKSA-N 0 0 383.488 4.668 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000007417559 570838905 /nfs/dbraw/zinc/83/89/05/570838905.db2.gz MZQNUCWIHCTPJS-UHFFFAOYSA-N 0 0 386.517 4.619 50 0 GJAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000033177244 570840486 /nfs/dbraw/zinc/84/04/86/570840486.db2.gz HRZXZKGHMDCRQF-UHFFFAOYSA-N 0 0 391.315 4.746 50 0 GJAARN Cc1cccc(C)c1NC(=O)CCCSc1ccc(Br)cn1 ZINC000012540892 570840800 /nfs/dbraw/zinc/84/08/00/570840800.db2.gz AYZROWSGLJQJJO-UHFFFAOYSA-N 0 0 379.323 4.972 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004521960 570842737 /nfs/dbraw/zinc/84/27/37/570842737.db2.gz CEBRQDGBHCMWHU-UHFFFAOYSA-N 0 0 397.540 4.964 50 0 GJAARN O=C(CCC(=O)N1CCc2ccccc2C1)N(c1ccccc1)c1ccccc1 ZINC000004700140 570844040 /nfs/dbraw/zinc/84/40/40/570844040.db2.gz SSBXQBJMUDKMBE-UHFFFAOYSA-N 0 0 384.479 4.716 50 0 GJAARN Cc1c2cc(CNC(=O)[C@H](C)n3cccc3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071738904 570844685 /nfs/dbraw/zinc/84/46/85/570844685.db2.gz GHDZGIZXTFZYGA-INIZCTEOSA-N 0 0 375.447 4.961 50 0 GJAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000071750329 570846838 /nfs/dbraw/zinc/84/68/38/570846838.db2.gz HPVOPYQZSMTRKU-MRXNPFEDSA-N 0 0 379.529 4.672 50 0 GJAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071754487 570847800 /nfs/dbraw/zinc/84/78/00/570847800.db2.gz CXDUJHXLHQOMLC-INIZCTEOSA-N 0 0 380.410 4.795 50 0 GJAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071754736 570848389 /nfs/dbraw/zinc/84/83/89/570848389.db2.gz AIRRGXKFMUKZLQ-INIZCTEOSA-N 0 0 395.453 4.840 50 0 GJAARN O=C(NCCSCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000043976727 570848754 /nfs/dbraw/zinc/84/87/54/570848754.db2.gz KPCBEKRGIWAEKQ-UHFFFAOYSA-N 0 0 395.484 4.587 50 0 GJAARN COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-n3ccnc3)cc2)c1 ZINC000012547892 570849714 /nfs/dbraw/zinc/84/97/14/570849714.db2.gz PPACRMOMGYCNDT-QHCPKHFHSA-N 0 0 396.450 4.652 50 0 GJAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071762667 570850328 /nfs/dbraw/zinc/85/03/28/570850328.db2.gz GWDNBDMZPLGUDS-GOSISDBHSA-N 0 0 377.463 4.701 50 0 GJAARN COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cnn(-c3ccccc3)c2)c1 ZINC000012549191 570851231 /nfs/dbraw/zinc/85/12/31/570851231.db2.gz ZAMXXLPIMZBKST-HSZRJFAPSA-N 0 0 396.450 4.652 50 0 GJAARN CC(C)c1noc(Cc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)n1 ZINC000170595900 570853227 /nfs/dbraw/zinc/85/32/27/570853227.db2.gz VKWQOWIVTUQYJI-UHFFFAOYSA-N 0 0 387.386 4.638 50 0 GJAARN CCOc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000102591644 570853318 /nfs/dbraw/zinc/85/33/18/570853318.db2.gz JPURMFOAEPRBKD-OPAMFIHVSA-N 0 0 386.455 4.742 50 0 GJAARN O=C(NC1CC(OCc2ccccc2)C1)c1cc(Cl)ccc1Br ZINC000170596685 570853912 /nfs/dbraw/zinc/85/39/12/570853912.db2.gz APVAYAQZQDCBPY-UHFFFAOYSA-N 0 0 394.696 4.580 50 0 GJAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc2ccccc2c1 ZINC000003302609 570854230 /nfs/dbraw/zinc/85/42/30/570854230.db2.gz SNBPUGHQVNXOEA-UHFFFAOYSA-N 0 0 390.464 4.564 50 0 GJAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1C)O[C@H](C)C2 ZINC000032854018 570854914 /nfs/dbraw/zinc/85/49/14/570854914.db2.gz HURUTYZIYUNRLK-TZMCWYRMSA-N 0 0 388.895 4.810 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3cccnc3)C[C@H]21 ZINC000004715643 570856301 /nfs/dbraw/zinc/85/63/01/570856301.db2.gz UKNAYVIYUHVVLA-OFNKIYASSA-N 0 0 389.430 4.862 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C)C2)cc1 ZINC000102666632 570856428 /nfs/dbraw/zinc/85/64/28/570856428.db2.gz NFUFBAQBJIGINC-ZHRRBRCNSA-N 0 0 386.455 4.660 50 0 GJAARN Cc1cc(C(=O)CSc2nc3ccccc3s2)c(C)n1C[C@@H]1CCCO1 ZINC000003328517 570857011 /nfs/dbraw/zinc/85/70/11/570857011.db2.gz GWNMLQNVUXRKJC-HNNXBMFYSA-N 0 0 386.542 4.869 50 0 GJAARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000102709909 570857739 /nfs/dbraw/zinc/85/77/39/570857739.db2.gz URNTYBFRRNEZPE-MGNBDDOMSA-N 0 0 384.411 4.683 50 0 GJAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4)CC3=O)n2)cc1OC ZINC000102733687 570859879 /nfs/dbraw/zinc/85/98/79/570859879.db2.gz GAOMFDMDZRDXHR-UHFFFAOYSA-N 0 0 393.468 4.594 50 0 GJAARN Nc1nc(Nc2ccc(Br)cc2)sc1C(=O)c1ccccc1F ZINC000033251746 570860010 /nfs/dbraw/zinc/86/00/10/570860010.db2.gz VCMAXUGUDSCBML-UHFFFAOYSA-N 0 0 392.253 4.602 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000012559605 570861546 /nfs/dbraw/zinc/86/15/46/570861546.db2.gz CLBCQMFIVNQGSS-INIZCTEOSA-N 0 0 393.249 4.777 50 0 GJAARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1 ZINC000102751068 570861674 /nfs/dbraw/zinc/86/16/74/570861674.db2.gz XSMSXGUNDRTNOU-KPZWWZAWSA-N 0 0 394.456 4.769 50 0 GJAARN CCc1nc(-c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2)no1 ZINC000033254218 570862396 /nfs/dbraw/zinc/86/23/96/570862396.db2.gz FAZZQVUNESIPQE-UHFFFAOYSA-N 0 0 384.848 4.814 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C)s2)c2ccccc2)c1 ZINC000003368156 570863092 /nfs/dbraw/zinc/86/30/92/570863092.db2.gz NXJGIZNUUPTYRX-KRWDZBQOSA-N 0 0 383.498 4.521 50 0 GJAARN COc1ccccc1-c1cc(COC(=O)c2cccc3c2O[C@H](C)[C@H]3C)on1 ZINC000032865977 570863068 /nfs/dbraw/zinc/86/30/68/570863068.db2.gz BCURJSZZVGPEMM-ZIAGYGMSSA-N 0 0 379.412 4.592 50 0 GJAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1c2ccccc2C[C@@H]1C ZINC000032865561 570863197 /nfs/dbraw/zinc/86/31/97/570863197.db2.gz HHWKTRBNYSXXLG-HNNXBMFYSA-N 0 0 386.455 4.864 50 0 GJAARN Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCCC1 ZINC000044086675 570863424 /nfs/dbraw/zinc/86/34/24/570863424.db2.gz HLSYKNPHFOOGJG-UHFFFAOYSA-N 0 0 377.513 4.562 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)Nc2ccc(-c3noc(CC)n3)cc2)c1 ZINC000033257360 570863868 /nfs/dbraw/zinc/86/38/68/570863868.db2.gz VBTXPKSOYXPHQV-UHFFFAOYSA-N 0 0 396.447 4.740 50 0 GJAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Cl)ccc3OC(F)F)C2)cc1 ZINC000102799748 570864351 /nfs/dbraw/zinc/86/43/51/570864351.db2.gz YRUVDTOEEVXVNJ-MRXNPFEDSA-N 0 0 388.805 4.897 50 0 GJAARN CC[C@H](C)[C@H](NC(=O)CC(C)C)c1nc(-c2ccc(Br)cc2)no1 ZINC000102830464 570866372 /nfs/dbraw/zinc/86/63/72/570866372.db2.gz RIURXWHYERFJKP-LRDDRELGSA-N 0 0 394.313 4.749 50 0 GJAARN CN(C)c1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000012563263 570868963 /nfs/dbraw/zinc/86/89/63/570868963.db2.gz INMOWYAQZVCINS-UHFFFAOYSA-N 0 0 377.469 4.552 50 0 GJAARN C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003443335 570869411 /nfs/dbraw/zinc/86/94/11/570869411.db2.gz ANKHGFUNSXDGDI-MRXNPFEDSA-N 0 0 390.439 4.689 50 0 GJAARN CCCn1ccnc1CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000170613651 570871065 /nfs/dbraw/zinc/87/10/65/570871065.db2.gz MYVZLMOTIKASCU-DLBZAZTESA-N 0 0 393.453 4.507 50 0 GJAARN COc1ccc(-c2noc(CN3CCCCC[C@@H]3c3ccc(OC)cc3)n2)cc1 ZINC000012567907 570871605 /nfs/dbraw/zinc/87/16/05/570871605.db2.gz ILPLSZXXZPMYJX-OAQYLSRUSA-N 0 0 393.487 4.871 50 0 GJAARN C[C@H]1CCc2ccccc2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000012568507 570872483 /nfs/dbraw/zinc/87/24/83/570872483.db2.gz CERCGFWPDYUOIP-SFHVURJKSA-N 0 0 394.478 4.916 50 0 GJAARN CCCOc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1C ZINC000170615027 570872519 /nfs/dbraw/zinc/87/25/19/570872519.db2.gz UFXRJMDYMDNASR-UHFFFAOYSA-N 0 0 391.876 4.753 50 0 GJAARN O=c1nc2n(nc1-c1ccc(F)cc1)C1(CCCCCC1)Nc1ccccc1-2 ZINC000170614846 570872680 /nfs/dbraw/zinc/87/26/80/570872680.db2.gz YGVGGRZJZFAQRP-UHFFFAOYSA-N 0 0 376.435 4.544 50 0 GJAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000004554923 570874167 /nfs/dbraw/zinc/87/41/67/570874167.db2.gz FNFQSVKWPIVBQH-DEOSSOPVSA-N 0 0 379.500 4.528 50 0 GJAARN CCCCN1c2ccccc2[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000004554922 570874198 /nfs/dbraw/zinc/87/41/98/570874198.db2.gz FNFQSVKWPIVBQH-XMMPIXPASA-N 0 0 379.500 4.528 50 0 GJAARN CCSc1nnc(NC(=O)CSc2c(Cl)cccc2Cl)s1 ZINC000003592275 570877427 /nfs/dbraw/zinc/87/74/27/570877427.db2.gz RVVLUPOXMGPVRA-UHFFFAOYSA-N 0 0 380.347 4.688 50 0 GJAARN C[C@@H](Nc1ncnc2[nH]ccc21)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000170620453 570878184 /nfs/dbraw/zinc/87/81/84/570878184.db2.gz XHSQQVDCWWRHMF-CYBMUJFWSA-N 0 0 375.407 4.522 50 0 GJAARN CC(C)N(C(=O)c1cc2ccccc2n1Cc1ccccc1F)c1cnn(C)c1 ZINC000170620726 570878487 /nfs/dbraw/zinc/87/84/87/570878487.db2.gz AXHXPKZFNUIOHL-UHFFFAOYSA-N 0 0 390.462 4.617 50 0 GJAARN CC(C)OC(=O)c1ccc(COc2ccc3occ(C(=O)c4ccco4)c3c2)o1 ZINC000170622127 570879756 /nfs/dbraw/zinc/87/97/56/570879756.db2.gz BLNXSWGQBPVWPL-UHFFFAOYSA-N 0 0 394.379 4.994 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccco3)c3cnn(C(C)C)c3n2)s1 ZINC000032879096 570879848 /nfs/dbraw/zinc/87/98/48/570879848.db2.gz OYCLOZWPZZMCOW-UHFFFAOYSA-N 0 0 394.500 4.914 50 0 GJAARN COC(=O)c1ccc(N(C(=O)c2cc(F)c(F)cc2Cl)C(C)C)c(C)c1 ZINC000170623591 570881837 /nfs/dbraw/zinc/88/18/37/570881837.db2.gz YMFFGLNXPBTQGI-UHFFFAOYSA-N 0 0 381.806 4.768 50 0 GJAARN Cc1c(F)cccc1NC(=O)c1cccc([C@H]2CCCN(C(=O)NC(C)C)C2)c1 ZINC000033264312 570882241 /nfs/dbraw/zinc/88/22/41/570882241.db2.gz ZWCLDQNVRKMGHW-IBGZPJMESA-N 0 0 397.494 4.684 50 0 GJAARN O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)NC(=S)N1C1CCCCC1 ZINC000003667739 570882329 /nfs/dbraw/zinc/88/23/29/570882329.db2.gz ZYBCTJUPRPJOGD-ATVHPVEESA-N 0 0 386.904 4.990 50 0 GJAARN S=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nnc2ccccn21 ZINC000015154022 570883085 /nfs/dbraw/zinc/88/30/85/570883085.db2.gz SUHSOMJQGFMTNK-AWEZNQCLSA-N 0 0 392.315 4.570 50 0 GJAARN COc1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012588401 570883161 /nfs/dbraw/zinc/88/31/61/570883161.db2.gz JNUNAZHGXXBLNL-UHFFFAOYSA-N 0 0 389.480 4.765 50 0 GJAARN Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(C(C)(C)C)[nH]2)c1 ZINC000032883990 570884549 /nfs/dbraw/zinc/88/45/49/570884549.db2.gz HXMQLBGZZMPFIN-UHFFFAOYSA-N 0 0 394.544 4.736 50 0 GJAARN CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000170629074 570884616 /nfs/dbraw/zinc/88/46/16/570884616.db2.gz FIJOJDKKZICKQI-PBHICJAKSA-N 0 0 397.425 4.598 50 0 GJAARN Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000170631694 570885069 /nfs/dbraw/zinc/88/50/69/570885069.db2.gz CJCSTTPJIXATKB-RBBKRZOGSA-N 0 0 392.455 4.585 50 0 GJAARN O=C(Cc1c[nH]c2ccccc12)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000009884210 570886297 /nfs/dbraw/zinc/88/62/97/570886297.db2.gz OTQFUEWXOHIHEV-UHFFFAOYSA-N 0 0 398.488 4.632 50 0 GJAARN Cc1cc(C)c(NC(=O)COc2ccc(C3SCCCS3)cc2)c(C)n1 ZINC000097040300 570887371 /nfs/dbraw/zinc/88/73/71/570887371.db2.gz SGEKKQOIMUTLMC-UHFFFAOYSA-N 0 0 388.558 4.893 50 0 GJAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000032899116 570887594 /nfs/dbraw/zinc/88/75/94/570887594.db2.gz GHZFFRFNVBCREF-ZDUSSCGKSA-N 0 0 386.498 4.805 50 0 GJAARN O=C(c1cccc(-c2cccc(C(F)(F)F)c2)c1)N1CCO[C@H](C2CC2)C1 ZINC000299755965 570891815 /nfs/dbraw/zinc/89/18/15/570891815.db2.gz GQWHJHCJKUXEPI-IBGZPJMESA-N 0 0 375.390 4.623 50 0 GJAARN COc1ccccc1OC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000042619906 570891940 /nfs/dbraw/zinc/89/19/40/570891940.db2.gz WWTZABJURXMONF-UHFFFAOYSA-N 0 0 386.407 4.940 50 0 GJAARN COc1ccc(OC)c(CNC(=O)c2cc3cn(C4CCCC4)cc3s2)c1 ZINC000097097264 570892405 /nfs/dbraw/zinc/89/24/05/570892405.db2.gz LOLQHPLEHOTTTM-UHFFFAOYSA-N 0 0 384.501 4.765 50 0 GJAARN Cc1c(C(=O)N2CCc3sccc3C2)sc2nc(-c3ccco3)nc(C)c12 ZINC000032901077 570897737 /nfs/dbraw/zinc/89/77/37/570897737.db2.gz POLCYLVIPKEURE-UHFFFAOYSA-N 0 0 395.509 4.828 50 0 GJAARN Cc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3c3ccc(F)cc3)c(=O)oc2c1 ZINC000032901546 570898918 /nfs/dbraw/zinc/89/89/18/570898918.db2.gz LYOXIYXZHFKILZ-NRFANRHFSA-N 0 0 393.458 4.845 50 0 GJAARN CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000004578089 570905648 /nfs/dbraw/zinc/90/56/48/570905648.db2.gz WCRGXBRYORWHRO-KSVHXXFXSA-N 0 0 397.968 4.622 50 0 GJAARN C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@H](O)c1c(F)cccc1Cl ZINC000089598477 570906999 /nfs/dbraw/zinc/90/69/99/570906999.db2.gz ROALWYGWXDPPHW-WLRWDXFRSA-N 0 0 391.801 4.730 50 0 GJAARN CCCN(CCc1cccs1)C(=O)c1sc(NC(=O)C2CC2)cc1C ZINC000184136585 570907532 /nfs/dbraw/zinc/90/75/32/570907532.db2.gz RRXCXRHEYMCSOK-UHFFFAOYSA-N 0 0 376.547 4.561 50 0 GJAARN O=C(Cc1cccc(Br)c1)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000097212232 570907702 /nfs/dbraw/zinc/90/77/02/570907702.db2.gz JJLZUESYEWEQQT-UHFFFAOYSA-N 0 0 390.208 4.529 50 0 GJAARN C[C@H](NCc1csc(CCc2ccccc2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097228481 570909096 /nfs/dbraw/zinc/90/90/96/570909096.db2.gz QSCAIQOAPUXSNC-INIZCTEOSA-N 0 0 391.540 4.664 50 0 GJAARN C[C@H]1CCCN(C(=O)c2cccc(-c3cccc4c(C(N)=O)cccc34)c2)CC1 ZINC000534645383 570909522 /nfs/dbraw/zinc/90/95/22/570909522.db2.gz IZMYHTIKLQRFHL-KRWDZBQOSA-N 0 0 386.495 4.868 50 0 GJAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000089774406 570912163 /nfs/dbraw/zinc/91/21/63/570912163.db2.gz KTSOJSVLVTZAGA-RTBURBONSA-N 0 0 388.280 4.883 50 0 GJAARN CC(=O)Nc1ccc2nc(NC(=O)CCSc3ccc(F)cc3)sc2c1 ZINC000004496816 570912409 /nfs/dbraw/zinc/91/24/09/570912409.db2.gz SGOAODZOXZGACY-UHFFFAOYSA-N 0 0 389.477 4.515 50 0 GJAARN O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Cl)c2ncccc12 ZINC000032909754 570912359 /nfs/dbraw/zinc/91/23/59/570912359.db2.gz UAGSMPOHMSIVRD-UHFFFAOYSA-N 0 0 384.848 4.571 50 0 GJAARN O=C(CCc1csc2nc(-c3ccccc3)cn12)NCc1ccccc1Cl ZINC000016848758 570914269 /nfs/dbraw/zinc/91/42/69/570914269.db2.gz PDUHLRBJYMGSPQ-UHFFFAOYSA-N 0 0 395.915 4.965 50 0 GJAARN O=C(CCc1csc2nc(-c3ccccc3)cn12)NCCCc1ccccc1 ZINC000016848761 570914332 /nfs/dbraw/zinc/91/43/32/570914332.db2.gz LHJKFXWTMBVIEH-UHFFFAOYSA-N 0 0 389.524 4.744 50 0 GJAARN O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1nccs1 ZINC000016848911 570914369 /nfs/dbraw/zinc/91/43/69/570914369.db2.gz KWEQKCYBCHKVFN-UHFFFAOYSA-N 0 0 388.905 4.744 50 0 GJAARN O=C(Nc1ccccc1)[C@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000022614620 570914447 /nfs/dbraw/zinc/91/44/47/570914447.db2.gz CFHVZWUREHFPSA-MRXNPFEDSA-N 0 0 389.402 4.968 50 0 GJAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccccc1 ZINC000004585237 570916283 /nfs/dbraw/zinc/91/62/83/570916283.db2.gz CUCZWAILEIEBGL-UHFFFAOYSA-N 0 0 389.842 4.658 50 0 GJAARN Cc1[nH]c2ccccc2c1SCCNC(=O)COc1ccc2ccccc2c1 ZINC000002460205 570916923 /nfs/dbraw/zinc/91/69/23/570916923.db2.gz CNKFZCNRWLNJOY-UHFFFAOYSA-N 0 0 390.508 4.917 50 0 GJAARN O=C(c1ccsc1)N1CCCN([C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000089885426 570918310 /nfs/dbraw/zinc/91/83/10/570918310.db2.gz SFCYXPJWXOEQHG-SFHVURJKSA-N 0 0 395.355 4.890 50 0 GJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(=O)c2ccccc2o1 ZINC000004032363 570918487 /nfs/dbraw/zinc/91/84/87/570918487.db2.gz SBIWOKBNOPPPLL-UHFFFAOYSA-N 0 0 381.391 4.589 50 0 GJAARN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000023157147 570920263 /nfs/dbraw/zinc/92/02/63/570920263.db2.gz PWSSKSYDSPYWTM-KDOFPFPSSA-N 0 0 384.549 4.750 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000007580231 570920774 /nfs/dbraw/zinc/92/07/74/570920774.db2.gz RIZGDQAIZQHNJJ-UHFFFAOYSA-N 0 0 378.856 4.775 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C ZINC000006479177 570923312 /nfs/dbraw/zinc/92/33/12/570923312.db2.gz QISYDOZZAMUMCK-UHFFFAOYSA-N 0 0 392.484 4.576 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000252009495 570925600 /nfs/dbraw/zinc/92/56/00/570925600.db2.gz QZLSVCZVDXZLAR-WSTZPKSXSA-N 0 0 382.504 4.959 50 0 GJAARN CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000004078492 570930750 /nfs/dbraw/zinc/93/07/50/570930750.db2.gz HJOKVOCJSICDLY-SFHVURJKSA-N 0 0 387.277 4.545 50 0 GJAARN O=S(=O)(c1ccccc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575442877 570933232 /nfs/dbraw/zinc/93/32/32/570933232.db2.gz IGYMKRLPWFFGFB-UHFFFAOYSA-N 0 0 390.468 4.607 50 0 GJAARN Cn1cnnc1-c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 ZINC000105949206 570933403 /nfs/dbraw/zinc/93/34/03/570933403.db2.gz MEVQLDDTIRGOLD-UHFFFAOYSA-N 0 0 390.393 4.680 50 0 GJAARN Cc1ccc2ncnc(OCc3nc(-c4ccc(C(F)(F)F)cc4)no3)c2c1 ZINC000032922630 570933869 /nfs/dbraw/zinc/93/38/69/570933869.db2.gz HHOVCNRSWWLSRU-UHFFFAOYSA-N 0 0 386.333 4.586 50 0 GJAARN C[C@@H](Sc1nccn1C1CC1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000012647185 570934402 /nfs/dbraw/zinc/93/44/02/570934402.db2.gz AUULDIDAVBKKGE-CYBMUJFWSA-N 0 0 376.551 4.521 50 0 GJAARN Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000046835116 570934505 /nfs/dbraw/zinc/93/45/05/570934505.db2.gz WWKVXWIQTKVPOM-HNNXBMFYSA-N 0 0 386.446 4.750 50 0 GJAARN Cc1ccccc1NC(Nc1ccccc1C)=C(C=C(Cl)[N+](=O)[O-])[N+](=O)[O-] ZINC000032926505 570938621 /nfs/dbraw/zinc/93/86/21/570938621.db2.gz YEPJBIJMZKQSEJ-BOPFTXTBSA-N 0 0 388.811 4.630 50 0 GJAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccccc43)c12 ZINC000002093013 570940519 /nfs/dbraw/zinc/94/05/19/570940519.db2.gz WPPQSQYQTROYMP-UHFFFAOYSA-N 0 0 389.451 4.726 50 0 biogenic GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1 ZINC000047157698 570944630 /nfs/dbraw/zinc/94/46/30/570944630.db2.gz HUABJMUBBGTADE-UHFFFAOYSA-N 0 0 386.249 4.621 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1-n1cccc1 ZINC000032932280 570945142 /nfs/dbraw/zinc/94/51/42/570945142.db2.gz HKZJTCRGYKVQFA-UHFFFAOYSA-N 0 0 385.423 4.883 50 0 GJAARN COc1ccccc1NC(=O)c1ccc(Cl)c(-n2c(C)nc3cccnc32)c1 ZINC000032932226 570946874 /nfs/dbraw/zinc/94/68/74/570946874.db2.gz JUVQJZFPIZVWRU-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000033272123 570947786 /nfs/dbraw/zinc/94/77/86/570947786.db2.gz CPFHTTHZFJUYBC-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC2(C1)CCCCC2 ZINC000170640478 570948304 /nfs/dbraw/zinc/94/83/04/570948304.db2.gz SFIJUKLCLOYZQY-UHFFFAOYSA-N 0 0 379.382 4.552 50 0 GJAARN CCc1oc2ccccc2c1CN(C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012682242 570948665 /nfs/dbraw/zinc/94/86/65/570948665.db2.gz IRMZSXGXDKTPNZ-UHFFFAOYSA-N 0 0 391.515 4.666 50 0 GJAARN CC(C)n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 ZINC000004736121 570950730 /nfs/dbraw/zinc/95/07/30/570950730.db2.gz LRJYWHBOZGXLOB-UHFFFAOYSA-N 0 0 376.869 4.503 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)no1 ZINC000025704561 570951643 /nfs/dbraw/zinc/95/16/43/570951643.db2.gz MDRLJAIFDRKEBJ-UHFFFAOYSA-N 0 0 379.441 4.586 50 0 GJAARN CC[C@@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(C)cc1 ZINC000020616641 570951923 /nfs/dbraw/zinc/95/19/23/570951923.db2.gz JJWKMJGWZUANOJ-CYBMUJFWSA-N 0 0 381.423 4.843 50 0 GJAARN O=C1c2ccccc2[C@](O)(c2ccccc2)N1Cc1csc(-c2ccccc2)n1 ZINC000032938013 570953621 /nfs/dbraw/zinc/95/36/21/570953621.db2.gz HEEITGNYCRHQOK-XMMPIXPASA-N 0 0 398.487 4.660 50 0 GJAARN CC(=O)COc1ccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2c1 ZINC000032072352 570953983 /nfs/dbraw/zinc/95/39/83/570953983.db2.gz DJKKHMVBGGMZTL-UHFFFAOYSA-N 0 0 377.421 4.551 50 0 GJAARN O=c1[nH]c(SCc2ccccc2Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC000033287239 570955156 /nfs/dbraw/zinc/95/51/56/570955156.db2.gz DSLVVXXECQDZBK-UHFFFAOYSA-N 0 0 397.931 4.686 50 0 GJAARN Cc1cc(F)ccc1NC(=O)CSc1nccnc1Sc1ccccc1 ZINC000033288879 570955999 /nfs/dbraw/zinc/95/59/99/570955999.db2.gz 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/nfs/dbraw/zinc/96/11/43/570961143.db2.gz MYPHNZXREUZHHA-UHFFFAOYSA-N 0 0 384.888 4.524 50 0 GJAARN O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1C(F)(F)F ZINC000004166971 570970427 /nfs/dbraw/zinc/97/04/27/570970427.db2.gz BUWRORXZORCPOZ-UHFFFAOYSA-N 0 0 376.403 4.801 50 0 GJAARN O=C(c1cccc(Br)c1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000211141501 570970507 /nfs/dbraw/zinc/97/05/07/570970507.db2.gz GZQKHQYYCOASQQ-QGZVFWFLSA-N 0 0 376.319 4.770 50 0 GJAARN Cc1ccnc(Oc2ccc(NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)cc2)n1 ZINC000252488412 570970544 /nfs/dbraw/zinc/97/05/44/570970544.db2.gz IRKDYHDVNFBDTF-OAHLLOKOSA-N 0 0 394.397 4.772 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(C)c3)c(C)c2oc1=O ZINC000002147505 570971507 /nfs/dbraw/zinc/97/15/07/570971507.db2.gz BWXQXEPSJPUYTP-UHFFFAOYSA-N 0 0 394.467 4.793 50 0 biogenic GJAARN O=C1N(Cc2cccc3ccccc32)c2ccccc2[C@@]1(O)[C@@H]1CCCCCC1=O ZINC000004769845 570973126 /nfs/dbraw/zinc/97/31/26/570973126.db2.gz KDRIXBWHNIATND-ATIYNZHBSA-N 0 0 399.490 4.724 50 0 GJAARN CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)n2)cc1 ZINC000033318548 570973368 /nfs/dbraw/zinc/97/33/68/570973368.db2.gz QMKIWLSJSIADCF-UHFFFAOYSA-N 0 0 390.491 4.801 50 0 GJAARN CCOc1cc2c(cc1NC(=O)c1cc3cc(OC)ccc3nc1C)O[C@H](C)C2 ZINC000025821607 570974216 /nfs/dbraw/zinc/97/42/16/570974216.db2.gz WLDAUAKZZGJORJ-CYBMUJFWSA-N 0 0 392.455 4.526 50 0 GJAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000252498340 570976542 /nfs/dbraw/zinc/97/65/42/570976542.db2.gz QZDXVMZISGLOQO-HNNXBMFYSA-N 0 0 394.397 4.772 50 0 GJAARN Cc1cccc(NC(=O)COc2ccccc2-c2noc(Cc3ccccc3)n2)c1 ZINC000033325007 570979108 /nfs/dbraw/zinc/97/91/08/570979108.db2.gz SBUSEKYEWAIBJQ-UHFFFAOYSA-N 0 0 399.450 4.653 50 0 GJAARN O=C(NCc1ccc(F)cc1Cl)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839278 570979280 /nfs/dbraw/zinc/97/92/80/570979280.db2.gz GFVVKKWRBUZYTE-UHFFFAOYSA-N 0 0 379.822 4.952 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000001400382 570981335 /nfs/dbraw/zinc/98/13/35/570981335.db2.gz 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ZINC000004778867 570985769 /nfs/dbraw/zinc/98/57/69/570985769.db2.gz KWEHFUQPBCDEOV-HSZRJFAPSA-N 0 0 386.451 4.851 50 0 GJAARN CCCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)cc1 ZINC000012741858 570986650 /nfs/dbraw/zinc/98/66/50/570986650.db2.gz WQFIZZUMDDWFIO-UHFFFAOYSA-N 0 0 399.560 4.596 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2NC3=C(CCCCC3)[C@]2(O)C(F)(F)F)cc1 ZINC000004673051 570992712 /nfs/dbraw/zinc/99/27/12/570992712.db2.gz OHLBUEFLBNSUHL-BEFAXECRSA-N 0 0 382.426 4.627 50 0 GJAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2c(F)cccc2F)cc1 ZINC000004791013 570992796 /nfs/dbraw/zinc/99/27/96/570992796.db2.gz OHPOQFKTFUGDGG-UHFFFAOYSA-N 0 0 393.393 4.849 50 0 GJAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccccc2OC)cc1 ZINC000004791037 570993217 /nfs/dbraw/zinc/99/32/17/570993217.db2.gz QKLYDEHVDKUSAK-UHFFFAOYSA-N 0 0 387.439 4.579 50 0 GJAARN Cc1ccc(C)c(-c2nn(CN(CC(C)C)C3CC3)c(=O)c3ccccc32)c1 ZINC000045722158 570995681 /nfs/dbraw/zinc/99/56/81/570995681.db2.gz CJQZWEPMRBVELE-UHFFFAOYSA-N 0 0 375.516 4.758 50 0 GJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)Cc3noc4ccccc34)cc2)n1 ZINC000045766194 570996283 /nfs/dbraw/zinc/99/62/83/570996283.db2.gz LJWWCKORLBTGSY-UHFFFAOYSA-N 0 0 390.468 4.567 50 0 GJAARN COc1ccccc1-c1c(NC(=O)c2ccccc2C)n(C)c2ccccc2c1=O ZINC000002199107 570996736 /nfs/dbraw/zinc/99/67/36/570996736.db2.gz KFAQCUVQCAIYAU-UHFFFAOYSA-N 0 0 398.462 4.775 50 0 GJAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2)n1 ZINC000084104812 570998433 /nfs/dbraw/zinc/99/84/33/570998433.db2.gz HGMQAKIQNUHCNF-UHFFFAOYSA-N 0 0 389.286 4.690 50 0 GJAARN CCc1ccc(C(C)(C)C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)cc1 ZINC000170654041 570999152 /nfs/dbraw/zinc/99/91/52/570999152.db2.gz OTGQZPXMDUHVMR-UHFFFAOYSA-N 0 0 378.516 4.676 50 0 GJAARN COc1ccc(Cl)cc1Nc1nc2ccccc2nc1C(=O)OCC(C)C ZINC000045901671 570999967 /nfs/dbraw/zinc/99/99/67/570999967.db2.gz WIXCFWQVCUPHQJ-UHFFFAOYSA-N 0 0 385.851 4.848 50 0 GJAARN C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1c[nH]c2ccccc21 ZINC000007617126 571002330 /nfs/dbraw/zinc/00/23/30/571002330.db2.gz FJDLECJEZXNALI-ZDUSSCGKSA-N 0 0 389.484 4.520 50 0 GJAARN COc1ccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC23CCCC3)cc1 ZINC000045932825 571002611 /nfs/dbraw/zinc/00/26/11/571002611.db2.gz WNTULVWMQPGQAG-UHFFFAOYSA-N 0 0 378.497 4.546 50 0 GJAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@@H]2c2ccccc2)c1 ZINC000045942581 571003818 /nfs/dbraw/zinc/00/38/18/571003818.db2.gz TYRUONRKRWQGOY-QFIPXVFZSA-N 0 0 389.426 4.887 50 0 GJAARN Cc1ccc(C(=O)CCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000084148613 571004361 /nfs/dbraw/zinc/00/43/61/571004361.db2.gz VPLKZDKFIGSTOI-UHFFFAOYSA-N 0 0 379.500 4.535 50 0 GJAARN Cc1c(F)cccc1-c1ccc(CNc2cccc(CS(C)(=O)=O)c2C)o1 ZINC000116925054 571004366 /nfs/dbraw/zinc/00/43/66/571004366.db2.gz UEWDNIBKIAWGSE-UHFFFAOYSA-N 0 0 387.476 4.859 50 0 GJAARN CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2F)cc1 ZINC000002207468 571005152 /nfs/dbraw/zinc/00/51/52/571005152.db2.gz MBRFXMGACHREKF-ZBLYBZFDSA-N 0 0 391.423 4.836 50 0 GJAARN CCCCn1ccnc1C1CCN(C(=O)c2cc(C)nc3ccccc32)CC1 ZINC000091390848 571005933 /nfs/dbraw/zinc/00/59/33/571005933.db2.gz HBPIZUMSOSAVQJ-UHFFFAOYSA-N 0 0 376.504 4.560 50 0 GJAARN C=Cc1ccc(CSc2n[nH]c(=O)c3cc(-c4ccc(CC)cc4)nn32)cc1 ZINC000045972058 571006665 /nfs/dbraw/zinc/00/66/65/571006665.db2.gz WEGQQDDWHVSWFS-UHFFFAOYSA-N 0 0 388.496 4.582 50 0 GJAARN Nc1ccc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c2c(O)cccc12 ZINC000012759105 571008104 /nfs/dbraw/zinc/00/81/04/571008104.db2.gz BJVFACOSJUVWNW-GOSISDBHSA-N 0 0 390.386 4.536 50 0 GJAARN Cc1ccc(N(C(=O)c2ccc(NC(=O)C3CC3)cc2)C2CCCCC2)nc1 ZINC000084191525 571008566 /nfs/dbraw/zinc/00/85/66/571008566.db2.gz RXCDHXPYUJPWPE-UHFFFAOYSA-N 0 0 377.488 4.718 50 0 GJAARN COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 ZINC000046012643 571010840 /nfs/dbraw/zinc/01/08/40/571010840.db2.gz OBDVSTKTFSTNNG-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccccc1F ZINC000046004986 571011273 /nfs/dbraw/zinc/01/12/73/571011273.db2.gz FRBRGYMWCZZUNP-UHFFFAOYSA-N 0 0 388.398 4.797 50 0 GJAARN COc1ccccc1NC(=O)CSC1=NC2(CCCC2)N=C1c1cccs1 ZINC000046022295 571012509 /nfs/dbraw/zinc/01/25/09/571012509.db2.gz SLJKFZXWZCRUGZ-UHFFFAOYSA-N 0 0 399.541 4.600 50 0 GJAARN CSc1ncccc1C(=O)OCc1csc(-c2ccccc2Cl)n1 ZINC000007657888 571012429 /nfs/dbraw/zinc/01/24/29/571012429.db2.gz BQZRTSXZIFWTMO-UHFFFAOYSA-N 0 0 376.890 4.937 50 0 GJAARN CSc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 ZINC000046045598 571014551 /nfs/dbraw/zinc/01/45/51/571014551.db2.gz XUNWJFGDADTPGA-QGZVFWFLSA-N 0 0 382.529 4.516 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)cc1 ZINC000046044939 571014562 /nfs/dbraw/zinc/01/45/62/571014562.db2.gz QOBVVNWKMWBSFG-QGZVFWFLSA-N 0 0 386.442 4.579 50 0 GJAARN O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N(Cc1ccsc1)C1CC1 ZINC000084393385 571016403 /nfs/dbraw/zinc/01/64/03/571016403.db2.gz IPQSPOLDTAEONN-IRXDYDNUSA-N 0 0 376.319 4.805 50 0 GJAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046056772 571016611 /nfs/dbraw/zinc/01/66/11/571016611.db2.gz FCYOGFJCOJASEZ-SFHVURJKSA-N 0 0 393.874 4.760 50 0 GJAARN Cc1nn(-c2cccc(F)c2)c2c1C(=C(O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056576 571016782 /nfs/dbraw/zinc/01/67/82/571016782.db2.gz SRTGAULPZNGRPP-HXUWFJFHSA-N 0 0 399.425 4.782 50 0 GJAARN Fc1ccc([C@@H]2CN(C(=S)Nc3ccc(SC(F)F)cc3)CCO2)cc1 ZINC000084393627 571017190 /nfs/dbraw/zinc/01/71/90/571017190.db2.gz JEOJWWOUVIMKJG-INIZCTEOSA-N 0 0 398.475 4.911 50 0 GJAARN CN(Cc1cc(Br)cs1)C(=O)c1ccccc1Br ZINC000037506002 571019498 /nfs/dbraw/zinc/01/94/98/571019498.db2.gz PIKHULPVRVSACQ-UHFFFAOYSA-N 0 0 389.112 4.545 50 0 GJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccc(OC)c2OC)cc1 ZINC000046076143 571020233 /nfs/dbraw/zinc/02/02/33/571020233.db2.gz NZDJNJWGJHFSOI-INIZCTEOSA-N 0 0 395.480 4.915 50 0 GJAARN CC(C)C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000084509872 571020651 /nfs/dbraw/zinc/02/06/51/571020651.db2.gz QDPONBXUZLWLLH-INIZCTEOSA-N 0 0 396.384 4.687 50 0 GJAARN C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccccc1 ZINC000046078388 571021189 /nfs/dbraw/zinc/02/11/89/571021189.db2.gz IEPMUBQMBSPGLQ-SFHVURJKSA-N 0 0 384.479 4.771 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000046078479 571021234 /nfs/dbraw/zinc/02/12/34/571021234.db2.gz MASHKRQAGWOTEY-UHFFFAOYSA-N 0 0 398.462 4.735 50 0 GJAARN Cc1nc2cc(OCc3nc(C(=O)N4CC[C@@H](CC(C)C)C4)co3)ccc2s1 ZINC000091645054 571021874 /nfs/dbraw/zinc/02/18/74/571021874.db2.gz XYSWTGTZGLUXSD-HNNXBMFYSA-N 0 0 399.516 4.680 50 0 GJAARN Cc1ccc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)cc1 ZINC000037523258 571022636 /nfs/dbraw/zinc/02/26/36/571022636.db2.gz GTVVEMXOOHWINT-LJQANCHMSA-N 0 0 384.479 4.540 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)on2)cc1 ZINC000046086114 571022893 /nfs/dbraw/zinc/02/28/93/571022893.db2.gz CPLFFOICFWVXFY-UHFFFAOYSA-N 0 0 378.428 4.859 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000084560080 571023048 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/nfs/dbraw/zinc/19/88/82/212198882.db2.gz HTTOFYODKOQGKS-UHFFFAOYSA-N 0 0 378.428 4.504 50 0 GJAARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000000944903 212198604 /nfs/dbraw/zinc/19/86/04/212198604.db2.gz VQGUGLHROCLPSV-UHFFFAOYSA-N 0 0 380.257 4.903 50 0 GJAARN Cc1c(OCC(=O)NC2CCCCC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000950204 212198687 /nfs/dbraw/zinc/19/86/87/212198687.db2.gz FBSJUCLZMJWOGY-UHFFFAOYSA-N 0 0 391.467 4.596 50 0 GJAARN Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000000942630 212196983 /nfs/dbraw/zinc/19/69/83/212196983.db2.gz IFTLEWHFZHOAPP-UHFFFAOYSA-N 0 0 388.183 4.794 50 0 GJAARN CCN1c2ccc(NC(=O)Cc3ccc(SC)cc3)c3cccc(c23)C1=O ZINC000009565106 212194454 /nfs/dbraw/zinc/19/44/54/212194454.db2.gz SWCVDERFQSPXLZ-UHFFFAOYSA-N 0 0 376.481 4.723 50 0 GJAARN Cc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1nc2ccccc2n1C ZINC000000870809 212191906 /nfs/dbraw/zinc/19/19/06/212191906.db2.gz CBUOPRSDGGANRI-UHFFFAOYSA-N 0 0 390.439 4.607 50 0 GJAARN CCOc1ccc2cc(-c3nnc(Nc4ccccc4F)s3)c(=O)oc2c1 ZINC000000856293 212190594 /nfs/dbraw/zinc/19/05/94/212190594.db2.gz SMNWRDYSTFYTES-UHFFFAOYSA-N 0 0 383.404 4.593 50 0 GJAARN O=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccccc1 ZINC000000828938 212187507 /nfs/dbraw/zinc/18/75/07/212187507.db2.gz PZPKFQQVYURFJA-UHFFFAOYSA-N 0 0 376.481 4.664 50 0 GJAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 ZINC000000896302 212194215 /nfs/dbraw/zinc/19/42/15/212194215.db2.gz BPLCOEHDSBBWHC-CYBMUJFWSA-N 0 0 377.271 4.547 50 0 GJAARN CCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000828346 212187298 /nfs/dbraw/zinc/18/72/98/212187298.db2.gz FAXIXXIQQHVWGO-UHFFFAOYSA-N 0 0 398.462 4.540 50 0 GJAARN COc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1OC ZINC000000798305 212182299 /nfs/dbraw/zinc/18/22/99/212182299.db2.gz YIZNYBHCGKMSHI-UHFFFAOYSA-N 0 0 383.400 4.740 50 0 GJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)NCc1ccccc1Cl ZINC000000803877 212182048 /nfs/dbraw/zinc/18/20/48/212182048.db2.gz 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ZINC000000708814 212176893 /nfs/dbraw/zinc/17/68/93/212176893.db2.gz CTYXBMYAWBRVKS-CQSZACIVSA-N 0 0 382.287 4.747 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CC[C@@H](C)C2 ZINC000000715717 212176334 /nfs/dbraw/zinc/17/63/34/212176334.db2.gz UAZVEPLHXAFYAZ-SNVBAGLBSA-N 0 0 379.428 4.580 50 0 GJAARN CCNc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000000753734 212179628 /nfs/dbraw/zinc/17/96/28/212179628.db2.gz YOHHCVFLKQDJRJ-UHFFFAOYSA-N 0 0 389.381 4.714 50 0 GJAARN CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CCCC2 ZINC000000751998 212179323 /nfs/dbraw/zinc/17/93/23/212179323.db2.gz GGKSXYJKVWZCHB-UHFFFAOYSA-N 0 0 375.515 4.534 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)c2C(=O)OC(C)C)cc1 ZINC000000668935 212172099 /nfs/dbraw/zinc/17/20/99/212172099.db2.gz DSMWNMWUKUDDGO-QGZVFWFLSA-N 0 0 387.501 4.660 50 0 GJAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC)cc1 ZINC000000669092 212172124 /nfs/dbraw/zinc/17/21/24/212172124.db2.gz QPIDYSCDKBOWDF-UHFFFAOYSA-N 0 0 381.453 4.771 50 0 GJAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000000675518 212171768 /nfs/dbraw/zinc/17/17/68/212171768.db2.gz HHNWVIVTQDTZJZ-UHFFFAOYSA-N 0 0 391.334 4.873 50 0 GJAARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccccc1 ZINC000000668777 212171284 /nfs/dbraw/zinc/17/12/84/212171284.db2.gz TVWCHNJPMIYANN-UHFFFAOYSA-N 0 0 395.480 4.836 50 0 GJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000657315 212171039 /nfs/dbraw/zinc/17/10/39/212171039.db2.gz OFMFITVSLZRWBC-UHFFFAOYSA-N 0 0 386.495 4.715 50 0 GJAARN COC(=O)c1ccccc1NC(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000000662743 212171086 /nfs/dbraw/zinc/17/10/86/212171086.db2.gz FKWLZMUXZBBGAF-UHFFFAOYSA-N 0 0 395.842 4.958 50 0 aggregator GJAARN O=C(N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccccc1F ZINC000000668076 212170846 /nfs/dbraw/zinc/17/08/46/212170846.db2.gz QVIBRDNIODGDFV-OAQYLSRUSA-N 0 0 391.442 4.701 50 0 GJAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)NCc1ccc(F)cc1 ZINC000000661622 212170523 /nfs/dbraw/zinc/17/05/23/212170523.db2.gz 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/nfs/dbraw/zinc/16/28/64/212162864.db2.gz JSOIJRYAZNMVNW-UHFFFAOYSA-N 0 0 396.446 4.884 50 0 GJAARN Cc1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)ccc1Oc1cccnc1 ZINC000162601455 212161029 /nfs/dbraw/zinc/16/10/29/212161029.db2.gz YMDKCVHAGYWIQU-MAUKXSAKSA-N 0 0 397.500 4.878 50 0 GJAARN COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCc1ccc(F)cc1 ZINC000096831493 212156453 /nfs/dbraw/zinc/15/64/53/212156453.db2.gz PQVLYPZUKVZUBE-CPNJWEJPSA-N 0 0 394.446 4.569 50 0 GJAARN COc1ccc(-c2coc3c(ccc4c3CN(C3CCCC3)CO4)c2=O)cc1 ZINC000013729846 212149677 /nfs/dbraw/zinc/14/96/77/212149677.db2.gz QUULNIBXSVIRJW-UHFFFAOYSA-N 0 0 377.440 4.563 50 0 biogenic GJAARN CCOC(=O)Cc1csc(NC(=O)c2sc3cc(F)ccc3c2Cl)n1 ZINC000003209560 212146064 /nfs/dbraw/zinc/14/60/64/212146064.db2.gz NZCLWGMZIRETSV-UHFFFAOYSA-N 0 0 398.868 4.508 50 0 GJAARN CCC(=O)Oc1cc2c(cc1C)oc(=O)cc2-c1cc2cccc(OC)c2o1 ZINC000004586172 212145494 /nfs/dbraw/zinc/14/54/94/212145494.db2.gz KQHJTFZJVMTKHF-UHFFFAOYSA-N 0 0 378.380 4.839 50 0 biogenic GJAARN Cc1oc2cc(OC(=O)C(C)C)ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000001447901 212145224 /nfs/dbraw/zinc/14/52/24/212145224.db2.gz BNWGTNZOSKNVTN-UHFFFAOYSA-N 0 0 379.437 4.940 50 0 GJAARN COc1ccc(-c2c(C)c3cc(Br)ccc3oc2=O)cc1OC ZINC000001080960 212143064 /nfs/dbraw/zinc/14/30/64/212143064.db2.gz CFKMEGOYBPRGGR-UHFFFAOYSA-N 0 0 375.218 4.548 50 0 GJAARN Cc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 ZINC000263618953 212142605 /nfs/dbraw/zinc/14/26/05/212142605.db2.gz WGJJHBSCCACXNM-IBGZPJMESA-N 0 0 392.846 4.833 50 0 GJAARN Fc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 ZINC000263617261 212140968 /nfs/dbraw/zinc/14/09/68/212140968.db2.gz MZACHYGDYILPLM-GOSISDBHSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1csc(CCNC(=O)C[C@@H](c2cccc3ccccc32)n2cccc2)n1 ZINC000263587036 212140740 /nfs/dbraw/zinc/14/07/40/212140740.db2.gz BGDMQTANCRRHIJ-NRFANRHFSA-N 0 0 389.524 4.745 50 0 GJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2OC)c1 ZINC000245256802 212135075 /nfs/dbraw/zinc/13/50/75/212135075.db2.gz TUMMYJOEZSOHAQ-URXFXBBRSA-N 0 0 386.451 4.946 50 0 GJAARN CC(=O)Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2 ZINC000000642733 212100296 /nfs/dbraw/zinc/10/02/96/212100296.db2.gz HLGQEDDEQRAZJC-UHFFFAOYSA-N 0 0 381.067 4.741 50 0 GJAARN CC[C@H]1C[C@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)CCO1 ZINC000328595386 212082850 /nfs/dbraw/zinc/08/28/50/212082850.db2.gz TVLYCKCDXQFCLX-HIFRSBDPSA-N 0 0 380.326 4.669 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc2ccccc2c1 ZINC000001117987 209116621 /nfs/dbraw/zinc/11/66/21/209116621.db2.gz ZPFSDBDDMOQEHT-UHFFFAOYSA-N 0 0 389.234 4.952 50 0 GJAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C)c(C)c5)no4)cc3CO2)cc1 ZINC000263616198 206288864 /nfs/dbraw/zinc/28/88/64/206288864.db2.gz HOMFTYUZARTLTL-OAQYLSRUSA-N 0 0 386.455 4.797 50 0 GJAARN Clc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccccc2)OC3)n1 ZINC000263619469 206290199 /nfs/dbraw/zinc/29/01/99/206290199.db2.gz YUHXFSJEMDTZSZ-GOSISDBHSA-N 0 0 378.819 4.525 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586202 206293353 /nfs/dbraw/zinc/29/33/53/206293353.db2.gz BSCZPRNIGZIQNP-CQSZACIVSA-N 0 0 392.407 4.845 50 0 biogenic GJAARN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1Cl ZINC000000628591 206309887 /nfs/dbraw/zinc/30/98/87/206309887.db2.gz KKAQHCPNQGCELR-QGZVFWFLSA-N 0 0 388.254 4.805 50 0 GJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc(OC(C)C)cc1)c2=O ZINC000000630458 206309915 /nfs/dbraw/zinc/30/99/15/206309915.db2.gz KTNSUELVXKUIRL-HNNXBMFYSA-N 0 0 396.439 4.578 50 0 biogenic GJAARN Cc1cc2nc(SCC(=O)c3ccc(Br)cc3)[nH]c2cc1C ZINC000000632960 206310329 /nfs/dbraw/zinc/31/03/29/206310329.db2.gz HYNVVJDMTGMWSG-UHFFFAOYSA-N 0 0 375.291 4.917 50 0 GJAARN Fc1ccc(OCc2nn3c(nnc3-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC000000632925 206310534 /nfs/dbraw/zinc/31/05/34/206310534.db2.gz CLVCWFFURFMOMP-UHFFFAOYSA-N 0 0 394.353 4.590 50 0 GJAARN O=Cc1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12 ZINC000000637828 206310880 /nfs/dbraw/zinc/31/08/80/206310880.db2.gz YFDRIYDFHGHWOQ-UHFFFAOYSA-N 0 0 378.653 4.949 50 0 GJAARN Clc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 ZINC000000633998 206311005 /nfs/dbraw/zinc/31/10/05/206311005.db2.gz VYCJGBJBVBQXLR-HOTGVXAUSA-N 0 0 389.684 4.840 50 0 GJAARN Fc1ccc(Cc2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)cc1 ZINC000000632799 206311129 /nfs/dbraw/zinc/31/11/29/206311129.db2.gz BLFOPSDWACFYQV-UHFFFAOYSA-N 0 0 378.354 4.602 50 0 GJAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)NCc1ccccc1 ZINC000000661630 206312915 /nfs/dbraw/zinc/31/29/15/206312915.db2.gz BWLGXMWRUZJYCZ-UHFFFAOYSA-N 0 0 377.444 4.615 50 0 GJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(F)c4)sc3n2)cc1 ZINC000000658834 206313267 /nfs/dbraw/zinc/31/32/67/206313267.db2.gz UAVNRZKDRXDSNR-UHFFFAOYSA-N 0 0 393.443 4.946 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4)c(N)c3cc2C1 ZINC000000661870 206313517 /nfs/dbraw/zinc/31/35/17/206313517.db2.gz UTMCUTBNUIEDNE-LBPRGKRZSA-N 0 0 381.501 4.654 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000000675227 206315097 /nfs/dbraw/zinc/31/50/97/206315097.db2.gz IAQYHGMZQYVUDS-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN COc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000000678509 206315376 /nfs/dbraw/zinc/31/53/76/206315376.db2.gz ZTVXKPGIXWHXSF-UHFFFAOYSA-N 0 0 376.909 4.773 50 0 GJAARN COc1cccc(C(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cccs2)c1 ZINC000009260828 206315820 /nfs/dbraw/zinc/31/58/20/206315820.db2.gz KIDSQEKYTIYZFB-FQEVSTJZSA-N 0 0 392.480 4.757 50 0 GJAARN CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1 ZINC000000678295 206315841 /nfs/dbraw/zinc/31/58/41/206315841.db2.gz SQEYWHBBXISCRK-GOSISDBHSA-N 0 0 380.473 4.552 50 0 GJAARN O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)C4CC4)cc3)nc2)cc1)C1CC1 ZINC000000692674 206318078 /nfs/dbraw/zinc/31/80/78/206318078.db2.gz LCCPSGFVFQUJCD-UHFFFAOYSA-N 0 0 398.466 4.508 50 0 GJAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000000722927 206319229 /nfs/dbraw/zinc/31/92/29/206319229.db2.gz CHTGMURFICQZTP-UHFFFAOYSA-N 0 0 390.874 4.872 50 0 GJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3c(C)cc(C)nc3C)cc12 ZINC000000783647 206319987 /nfs/dbraw/zinc/31/99/87/206319987.db2.gz LAIGEPWLVFPBRW-UHFFFAOYSA-N 0 0 376.485 4.968 50 0 GJAARN O=C(c1cccc2ccccc21)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000782976 206320406 /nfs/dbraw/zinc/32/04/06/206320406.db2.gz NPTCQXMKLFSWEB-UHFFFAOYSA-N 0 0 394.474 4.591 50 0 GJAARN Cc1ccc(NC(=O)Nc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000009317781 206320742 /nfs/dbraw/zinc/32/07/42/206320742.db2.gz SSOOHTJRBRHRJI-AWEZNQCLSA-N 0 0 380.473 4.587 50 0 GJAARN COc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c(C)c1 ZINC000000803882 206322442 /nfs/dbraw/zinc/32/24/42/206322442.db2.gz BPODWHBDPRSZHG-UHFFFAOYSA-N 0 0 390.468 4.510 50 0 GJAARN O=C1C[C@H](c2ccccc2I)c2c(ccc3ccccc32)N1 ZINC000000821058 206324687 /nfs/dbraw/zinc/32/46/87/206324687.db2.gz LQGRDIQGBQPPRB-OAHLLOKOSA-N 0 0 399.231 4.919 50 0 GJAARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 ZINC000000830054 206324973 /nfs/dbraw/zinc/32/49/73/206324973.db2.gz KCMNWNZDURAPKR-UHFFFAOYSA-N 0 0 394.434 4.835 50 0 GJAARN COc1cc2cccnc2c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000000831584 206325181 /nfs/dbraw/zinc/32/51/81/206325181.db2.gz OMFWTEWSGOHCET-UHFFFAOYSA-N 0 0 377.227 4.568 50 0 GJAARN O=C(Cc1ccccc1)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000000832361 206325465 /nfs/dbraw/zinc/32/54/65/206325465.db2.gz JLIYFMFCJPPLLS-HNNXBMFYSA-N 0 0 393.097 4.774 50 0 GJAARN COc1cc(Br)c(-c2cc3cc(Cl)ccc3oc2=O)cc1OC ZINC000000838884 206326702 /nfs/dbraw/zinc/32/67/02/206326702.db2.gz NQGNJGQYORCVSV-UHFFFAOYSA-N 0 0 395.636 4.893 50 0 GJAARN c1ccc2c(c1)cccc2OCc1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000000846173 206327605 /nfs/dbraw/zinc/32/76/05/206327605.db2.gz PUMBXBBQMGZHOX-UHFFFAOYSA-N 0 0 386.480 4.950 50 0 GJAARN CC[C@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848717 206328174 /nfs/dbraw/zinc/32/81/74/206328174.db2.gz BEJWZWWMCRMQNA-JTQLQIEISA-N 0 0 396.800 4.597 50 0 GJAARN Cc1cc(C)nc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 ZINC000000869164 206328840 /nfs/dbraw/zinc/32/88/40/206328840.db2.gz KWPOBBVBZLOJAV-UHFFFAOYSA-N 0 0 375.497 4.649 50 0 GJAARN COc1ccc2oc(=O)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1 ZINC000000860692 206329625 /nfs/dbraw/zinc/32/96/25/206329625.db2.gz WVNGPWJRHWZRJM-UHFFFAOYSA-N 0 0 399.446 4.644 50 0 GJAARN CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 ZINC000009137556 206306149 /nfs/dbraw/zinc/30/61/49/206306149.db2.gz PTVMNMVITLGBJN-UHFFFAOYSA-N 0 0 390.405 4.893 50 0 GJAARN Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000000886442 206332048 /nfs/dbraw/zinc/33/20/48/206332048.db2.gz BNDLVRCSHTZNJI-UHFFFAOYSA-N 0 0 386.480 4.613 50 0 GJAARN CC(C)(C)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n32)cc1 ZINC000001132850 206357857 /nfs/dbraw/zinc/35/78/57/206357857.db2.gz PWOAFESDEFSQIT-UHFFFAOYSA-N 0 0 390.512 4.911 50 0 GJAARN CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCC2 ZINC000000944312 206335105 /nfs/dbraw/zinc/33/51/05/206335105.db2.gz IIYDCMGZOMFJGQ-UHFFFAOYSA-N 0 0 379.481 4.748 50 0 GJAARN Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000000939621 206335457 /nfs/dbraw/zinc/33/54/57/206335457.db2.gz LGPSNWCXGOTQQB-UHFFFAOYSA-N 0 0 394.780 4.758 50 0 GJAARN COc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(OC)c1OC ZINC000000938985 206335795 /nfs/dbraw/zinc/33/57/95/206335795.db2.gz IVDNQYNKVBVADO-UHFFFAOYSA-N 0 0 375.509 4.820 50 0 GJAARN COc1ccc(C(=O)N2CN(Cc3ccco3)Cc3c(C)c(C)sc32)cc1 ZINC000000938009 206335961 /nfs/dbraw/zinc/33/59/61/206335961.db2.gz WIXNZZXOFLAFQV-UHFFFAOYSA-N 0 0 382.485 4.587 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 ZINC000000943480 206336051 /nfs/dbraw/zinc/33/60/51/206336051.db2.gz LDNFKGRACXOJOG-BCNIOPEESA-N 0 0 399.512 4.710 50 0 GJAARN O=C(COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000000991308 206339689 /nfs/dbraw/zinc/33/96/89/206339689.db2.gz XXIXKSJCYOMGHY-UHFFFAOYSA-N 0 0 393.826 4.632 50 0 GJAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 ZINC000000990826 206340031 /nfs/dbraw/zinc/34/00/31/206340031.db2.gz ZZYQZRJAEBORKT-SFHVURJKSA-N 0 0 385.213 4.823 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)cc1 ZINC000000992927 206340225 /nfs/dbraw/zinc/34/02/25/206340225.db2.gz VIQROJGJXVUZTP-UHFFFAOYSA-N 0 0 395.842 4.958 50 0 GJAARN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000001004046 206341271 /nfs/dbraw/zinc/34/12/71/206341271.db2.gz ZNTVFPFVOXJHCK-UHFFFAOYSA-N 0 0 394.515 4.890 50 0 GJAARN O=C(c1ccc(COCC(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000998815 206341334 /nfs/dbraw/zinc/34/13/34/206341334.db2.gz KSWVXPGWBKDBPY-UHFFFAOYSA-N 0 0 391.433 4.860 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@@H](c2ccccc2)[C@@H]1C ZINC000001024789 206341746 /nfs/dbraw/zinc/34/17/46/206341746.db2.gz IHUKAQXRDINMFJ-LHSJRXKWSA-N 0 0 396.874 4.906 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000001024740 206342343 /nfs/dbraw/zinc/34/23/43/206342343.db2.gz DONLIGMQLJQQHC-ZDUSSCGKSA-N 0 0 377.271 4.602 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@@H](c2ccccc2)[C@H]1C ZINC000001024787 206342572 /nfs/dbraw/zinc/34/25/72/206342572.db2.gz IHUKAQXRDINMFJ-SPLOXXLWSA-N 0 0 396.874 4.906 50 0 GJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc4ccccc4c3)n2C)cc1 ZINC000001032563 206343025 /nfs/dbraw/zinc/34/30/25/206343025.db2.gz MNDXEXVQZMEVAE-UHFFFAOYSA-N 0 0 389.480 4.619 50 0 GJAARN CCOC(=O)c1c(C)noc1-c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000001031486 206343395 /nfs/dbraw/zinc/34/33/95/206343395.db2.gz JSIWOOUMKAQPGW-UHFFFAOYSA-N 0 0 382.363 4.969 50 0 GJAARN CC(C)(CC(=O)N1CCN(c2ccccc2)CC1)Sc1ccc(Cl)cc1 ZINC000001034382 206343773 /nfs/dbraw/zinc/34/37/73/206343773.db2.gz NUENNBAHUOYBFX-UHFFFAOYSA-N 0 0 388.964 4.950 50 0 GJAARN COc1cc(C(F)(F)F)c(C(=O)N(C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000001043016 206344729 /nfs/dbraw/zinc/34/47/29/206344729.db2.gz WXAUOUDUOKQAGT-UHFFFAOYSA-N 0 0 379.165 4.692 50 0 GJAARN O=c1c2cc(-c3ccccc3)sc2nc2n1N=C(c1cccs1)CS2 ZINC000001036124 206345073 /nfs/dbraw/zinc/34/50/73/206345073.db2.gz GQQPMUYWTCMFEK-UHFFFAOYSA-N 0 0 381.507 4.545 50 0 GJAARN CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000001044240 206345487 /nfs/dbraw/zinc/34/54/87/206345487.db2.gz IEVBEPOHWYZLIL-UHFFFAOYSA-N 0 0 398.934 4.672 50 0 GJAARN Brc1ccccc1CSc1nnnn1-c1cccc2ccccc21 ZINC000001060851 206347618 /nfs/dbraw/zinc/34/76/18/206347618.db2.gz MGOFUATVTWZSON-UHFFFAOYSA-N 0 0 397.301 4.870 50 0 GJAARN O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)N1CCc2ccccc21 ZINC000001072962 206349586 /nfs/dbraw/zinc/34/95/86/206349586.db2.gz SOVCVJUVHLGDKL-UHFFFAOYSA-N 0 0 386.495 4.994 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000001092486 206350531 /nfs/dbraw/zinc/35/05/31/206350531.db2.gz MRCIOTLSCARHFQ-AYIBLLACSA-N 0 0 393.486 4.956 50 0 GJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000001114339 206353198 /nfs/dbraw/zinc/35/31/98/206353198.db2.gz PQPHNGDXWHWKEU-UHFFFAOYSA-N 0 0 390.468 4.539 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1Cl ZINC000001110202 206353605 /nfs/dbraw/zinc/35/36/05/206353605.db2.gz WFMIQBCPGOIYAJ-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN c1sc2nnc(SCc3ccc4c(c3)OCCO4)n2c1-c1ccccc1 ZINC000001110254 206354041 /nfs/dbraw/zinc/35/40/41/206354041.db2.gz OTZDFDJHVMDPTA-UHFFFAOYSA-N 0 0 381.482 4.521 50 0 GJAARN O=C(Nc1ncn(Cc2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1 ZINC000001121664 206354990 /nfs/dbraw/zinc/35/49/90/206354990.db2.gz CTLDAHVSKFOLPV-UHFFFAOYSA-N 0 0 395.772 4.643 50 0 GJAARN C[C@@H]1CCCc2sc3ncn4c(SCC(=O)c5ccccc5)nnc4c3c21 ZINC000001302571 206371665 /nfs/dbraw/zinc/37/16/65/206371665.db2.gz DSUBMZPRBXVZFK-GFCCVEGCSA-N 0 0 394.525 4.754 50 0 GJAARN O=C(C=Cc1cccc(C(F)(F)F)c1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009986088 206372727 /nfs/dbraw/zinc/37/27/27/206372727.db2.gz OFXLZGGRUJGTKA-MDZDMXLPSA-N 0 0 387.401 4.840 50 0 GJAARN COc1ccc(SCCCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000010217962 206374982 /nfs/dbraw/zinc/37/49/82/206374982.db2.gz AIOLZBFDTKSLOE-UHFFFAOYSA-N 0 0 385.514 4.725 50 0 GJAARN O=C(COc1ccc(-c2nccc(-c3cccs3)n2)cc1)N1CCCCCC1 ZINC000001383700 206376534 /nfs/dbraw/zinc/37/65/34/206376534.db2.gz YXBGKMUTSVXROI-UHFFFAOYSA-N 0 0 393.512 4.654 50 0 GJAARN CCS(=O)(=O)c1ccc(-c2csc(-c3ccncc3)n2)c(Cl)c1Cl ZINC000001393807 206377791 /nfs/dbraw/zinc/37/77/91/206377791.db2.gz STMRTBZTCVSJLB-UHFFFAOYSA-N 0 0 399.324 4.973 50 0 GJAARN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000001385630 206378393 /nfs/dbraw/zinc/37/83/93/206378393.db2.gz SVXKKSWCRVYOQA-UHFFFAOYSA-N 0 0 392.768 4.772 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)cc1 ZINC000001399219 206378452 /nfs/dbraw/zinc/37/84/52/206378452.db2.gz GCYNIAQBVRLIOS-UHFFFAOYSA-N 0 0 389.474 4.713 50 0 GJAARN C[C@H](CO)Oc1ccc(-c2ccc(-c3ccc(O[C@H](C)CO)cc3)c(F)c2)cc1 ZINC000001405417 206378896 /nfs/dbraw/zinc/37/88/96/206378896.db2.gz MJYBOLOAOGAXNB-IAGOWNOFSA-N 0 0 396.458 4.679 50 0 GJAARN Cc1cc(C)c(S(=O)(=O)c2cc(C)c(Cl)cc2C)c(OCC(C)C)n1 ZINC000001401766 206378958 /nfs/dbraw/zinc/37/89/58/206378958.db2.gz 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207064714 /nfs/dbraw/zinc/06/47/14/207064714.db2.gz DSBPFZFPTYHPCD-OAQYLSRUSA-N 0 0 386.495 4.684 50 0 GJAARN COC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000015867410 207066661 /nfs/dbraw/zinc/06/66/61/207066661.db2.gz YYRJUOQVVJQIOF-UHFFFAOYSA-N 0 0 383.831 4.958 50 0 GJAARN CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(F)cc2F)o1 ZINC000015881502 207067208 /nfs/dbraw/zinc/06/72/08/207067208.db2.gz ZVMJQUBYPWFPRR-UHFFFAOYSA-N 0 0 396.397 4.732 50 0 GJAARN Cc1c(C[NH2+]CCc2ccccc2Cl)c(C(=O)[O-])c(C)n1-c1ccccc1 ZINC000015942569 207069568 /nfs/dbraw/zinc/06/95/68/207069568.db2.gz OWGRLYLIBLJNII-UHFFFAOYSA-N 0 0 382.891 4.778 50 0 GJAARN CCc1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733353 207058644 /nfs/dbraw/zinc/05/86/44/207058644.db2.gz QYIBDEIGCZAGBS-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3cccnc3Oc3ccccc3)o2)cs1 ZINC000016298483 207074858 /nfs/dbraw/zinc/07/48/58/207074858.db2.gz YTEHBWXORIBDSX-UHFFFAOYSA-N 0 0 391.452 4.829 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000016663612 207075709 /nfs/dbraw/zinc/07/57/09/207075709.db2.gz PIKXXAGAQPBKRE-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000016652549 207075766 /nfs/dbraw/zinc/07/57/66/207075766.db2.gz BZVLODKKNOLZDE-UHFFFAOYSA-N 0 0 382.423 4.508 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000016837540 207079357 /nfs/dbraw/zinc/07/93/57/207079357.db2.gz SIDOELUPIWAAAK-UHFFFAOYSA-N 0 0 386.451 4.541 50 0 GJAARN CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCCC2 ZINC000017078064 207082372 /nfs/dbraw/zinc/08/23/72/207082372.db2.gz FLSHMGKGISDXLJ-UHFFFAOYSA-N 0 0 382.407 4.856 50 0 GJAARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018143040 207094049 /nfs/dbraw/zinc/09/40/49/207094049.db2.gz DOACPULUEQQBJN-UWXQAFAOSA-N 0 0 395.458 4.635 50 0 GJAARN O=c1[nH]c(SC/C=C/c2ccccc2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000017178069 207087044 /nfs/dbraw/zinc/08/70/44/207087044.db2.gz ZBQXGJOLJPUUGC-QPJJXVBHSA-N 0 0 394.887 4.980 50 0 GJAARN CCC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(OC)cc3)n2)cc1 ZINC000017248270 207088552 /nfs/dbraw/zinc/08/85/52/207088552.db2.gz KDWDUMDFTITLFK-UHFFFAOYSA-N 0 0 377.448 4.629 50 0 GJAARN Cc1nc2sccn2c1CN1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000019222732 207108166 /nfs/dbraw/zinc/10/81/66/207108166.db2.gz ITNBDHGXKRXJGV-OAHLLOKOSA-N 0 0 387.936 4.761 50 0 GJAARN Cc1cc(N2CCCC2)ccc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000019352427 207117767 /nfs/dbraw/zinc/11/77/67/207117767.db2.gz RJWHKEAYWVNZHP-UHFFFAOYSA-N 0 0 379.287 4.920 50 0 GJAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037543159 207125911 /nfs/dbraw/zinc/12/59/11/207125911.db2.gz MCCXETYJGVWTLX-UHFFFAOYSA-N 0 0 377.307 4.653 50 0 GJAARN O=C(c1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019597041 207144448 /nfs/dbraw/zinc/14/44/48/207144448.db2.gz MTYBMAFFPUINEA-UHFFFAOYSA-N 0 0 390.914 4.887 50 0 GJAARN CCOc1ccccc1N1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 ZINC000019721029 207156343 /nfs/dbraw/zinc/15/63/43/207156343.db2.gz DNAQZRXRNKREPI-UHFFFAOYSA-N 0 0 381.907 4.922 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019842076 207167173 /nfs/dbraw/zinc/16/71/73/207167173.db2.gz SNECMCVCGFRWFR-UHFFFAOYSA-N 0 0 390.458 4.576 50 0 GJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1C ZINC000019855312 207167206 /nfs/dbraw/zinc/16/72/06/207167206.db2.gz RRBKWPMTNRNFGP-UHFFFAOYSA-N 0 0 396.494 4.926 50 0 GJAARN CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(=O)c3ccco3)c2=N)cc1 ZINC000019879809 207167482 /nfs/dbraw/zinc/16/74/82/207167482.db2.gz AWMBPGXSYHCLLT-UHFFFAOYSA-N 0 0 387.483 4.744 50 0 GJAARN O=C(CCCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019867903 207167569 /nfs/dbraw/zinc/16/75/69/207167569.db2.gz GWLXFMGMUXNVRN-UHFFFAOYSA-N 0 0 398.550 4.943 50 0 GJAARN Fc1ccc(-c2cc(-c3nnc4sc(-c5ccccc5Cl)nn43)[nH]n2)cc1 ZINC000019827307 207165306 /nfs/dbraw/zinc/16/53/06/207165306.db2.gz OEHDTXLIWIDUME-UHFFFAOYSA-N 0 0 396.838 4.702 50 0 GJAARN Cc1ccccc1/N=c1\oc2cc(OCc3ccccc3)ccc2cc1C(N)=O ZINC000020132028 207179385 /nfs/dbraw/zinc/17/93/85/207179385.db2.gz KCANHHIJUZZSEP-LCUIJRPUSA-N 0 0 384.435 4.652 50 0 GJAARN Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000020418437 207191302 /nfs/dbraw/zinc/19/13/02/207191302.db2.gz SENBAKKHVIVMAG-RCCKNPSSSA-N 0 0 383.403 4.559 50 0 GJAARN CCOC(=O)c1ccc2nc(C(F)(F)F)cc(N3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000020443947 207193310 /nfs/dbraw/zinc/19/33/10/207193310.db2.gz WSEPIXNDXURIQW-BETUJISGSA-N 0 0 380.410 4.913 50 0 GJAARN Cn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(Cl)c2)cn1 ZINC000020515770 207201612 /nfs/dbraw/zinc/20/16/12/207201612.db2.gz OWWKQXZJYTZLLN-JOCHJYFZSA-N 0 0 376.891 4.703 50 0 GJAARN O=c1[nH]c(=S)n(C2CCCC2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000020603409 207205547 /nfs/dbraw/zinc/20/55/47/207205547.db2.gz DYHCRAWYMKGPCS-UHFFFAOYSA-N 0 0 381.379 4.848 50 0 GJAARN Cc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc(Cl)c2)c1 ZINC000020894659 207217774 /nfs/dbraw/zinc/21/77/74/207217774.db2.gz MSMCUJIBJPUXNK-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1 ZINC000020892264 207217891 /nfs/dbraw/zinc/21/78/91/207217891.db2.gz JCQRRKMBCPVJAH-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1)SCC(=O)N2 ZINC000020891065 207218515 /nfs/dbraw/zinc/21/85/15/207218515.db2.gz KQEABRAQYQZVDK-SFHVURJKSA-N 0 0 392.509 4.565 50 0 GJAARN COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000020888929 207218625 /nfs/dbraw/zinc/21/86/25/207218625.db2.gz SVXSNBAUZKWIOV-CQSZACIVSA-N 0 0 379.460 4.534 50 0 GJAARN CC(=O)COc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 ZINC000020722826 207211032 /nfs/dbraw/zinc/21/10/32/207211032.db2.gz SDHNIAATERSJOI-UHFFFAOYSA-N 0 0 395.411 4.690 50 0 GJAARN C[C@@H](NC(=O)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1)c1ccccc1 ZINC000020730403 207212460 /nfs/dbraw/zinc/21/24/60/207212460.db2.gz ZXJNPJXFWJFRGU-GRVPHDJPSA-N 0 0 384.435 4.550 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccs1)SCC(=O)N2 ZINC000021524977 207231113 /nfs/dbraw/zinc/23/11/13/207231113.db2.gz CVBMWYQHZFHRGT-MRXNPFEDSA-N 0 0 375.906 4.670 50 0 GJAARN Cc1ccc(C(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)N2CCC(C)CC2)cc1 ZINC000021361424 207230485 /nfs/dbraw/zinc/23/04/85/207230485.db2.gz VCGUVMJRFNNFAV-UHFFFAOYSA-N 0 0 389.499 4.909 50 0 GJAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1 ZINC000021525203 207230647 /nfs/dbraw/zinc/23/06/47/207230647.db2.gz OPEGLSFFYQJRJY-NRFANRHFSA-N 0 0 393.512 4.663 50 0 GJAARN Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c(C)c1 ZINC000020933890 207221238 /nfs/dbraw/zinc/22/12/38/207221238.db2.gz VOKYAQJBSBVAGB-UHFFFAOYSA-N 0 0 388.446 4.980 50 0 GJAARN Cc1c(C[NH2+]CCc2cccs2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024900 207223992 /nfs/dbraw/zinc/22/39/92/207223992.db2.gz FKXLRRCPSDOAQC-UHFFFAOYSA-N 0 0 388.920 4.840 50 0 GJAARN CCc1ccc(C2=NN(C(C)=O)[C@H](COc3ccc(Cl)cc3Cl)O2)cc1 ZINC000021092280 207225528 /nfs/dbraw/zinc/22/55/28/207225528.db2.gz PPLMEYXRMAXWIJ-SFHVURJKSA-N 0 0 393.270 4.501 50 0 GJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)c(Cl)c2)cc1 ZINC000021106395 207225788 /nfs/dbraw/zinc/22/57/88/207225788.db2.gz IJCDQZOBPMZCDW-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN Cc1cccc(-c2nc3nc(C)cc(NCCc4ccc(Cl)cc4)n3n2)c1 ZINC000021089431 207226143 /nfs/dbraw/zinc/22/61/43/207226143.db2.gz MTOSGKVJILOUIF-UHFFFAOYSA-N 0 0 377.879 4.716 50 0 GJAARN Cc1cc(C)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c(C)c1 ZINC000021104404 207226340 /nfs/dbraw/zinc/22/63/40/207226340.db2.gz VOGUUVQVKASWGE-JOCHJYFZSA-N 0 0 375.447 4.913 50 0 GJAARN COc1ccc(-c2cc3nc(C)cc(N[C@H](C)c4ccccc4)n3n2)cc1OC ZINC000021150332 207227179 /nfs/dbraw/zinc/22/71/79/207227179.db2.gz CGEKODPTIMJPDU-MRXNPFEDSA-N 0 0 388.471 4.895 50 0 GJAARN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)NC2CCCCC2)n1 ZINC000021524718 207231673 /nfs/dbraw/zinc/23/16/73/207231673.db2.gz HIJUZJAJWCJJIO-UHFFFAOYSA-N 0 0 391.471 4.540 50 0 GJAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NCCc1cccs1 ZINC000021656687 207234357 /nfs/dbraw/zinc/23/43/57/207234357.db2.gz LDXZTTBLEHBZEV-UHFFFAOYSA-N 0 0 393.537 4.699 50 0 GJAARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccc(Cl)cc3C)no2)cc1 ZINC000021723995 207236214 /nfs/dbraw/zinc/23/62/14/207236214.db2.gz YWJUUSNQPOKSDV-UHFFFAOYSA-N 0 0 387.892 4.879 50 0 GJAARN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)n1nc(-c2ccc(C)cc2)ccc1=O ZINC000021783611 207236358 /nfs/dbraw/zinc/23/63/58/207236358.db2.gz AYWHIWGDATZIGM-HXUWFJFHSA-N 0 0 395.890 4.770 50 0 GJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3)C2)cc1OC ZINC000021775554 207236599 /nfs/dbraw/zinc/23/65/99/207236599.db2.gz GHRLAIPRPOJMRJ-SFHVURJKSA-N 0 0 379.485 4.824 50 0 GJAARN COc1cccc(-n2c(C)c(C)c3c4nc(-c5cccc(C)c5)nn4cnc32)c1 ZINC000021801272 207238695 /nfs/dbraw/zinc/23/86/95/207238695.db2.gz GLYDKJKLVVKZTG-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000021836994 207240097 /nfs/dbraw/zinc/24/00/97/207240097.db2.gz MWMWKIXQGSJYLM-HNNXBMFYSA-N 0 0 385.870 4.866 50 0 GJAARN CC[C@@H]1c2cccn2-c2ccccc2CN1C(=O)Nc1cc(OC)ccc1OC ZINC000021889944 207240641 /nfs/dbraw/zinc/24/06/41/207240641.db2.gz DAHVARYGZTUINE-LJQANCHMSA-N 0 0 391.471 4.993 50 0 GJAARN C[C@@H]1CO[P@@](=O)([C@@H](NCc2ccccc2)c2ccc(Br)cc2)O1 ZINC000022014776 207245553 /nfs/dbraw/zinc/24/55/53/207245553.db2.gz MUZKRFLNJBGJNT-MBSYMSIGSA-N 0 0 396.221 4.866 50 0 GJAARN COc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000022135305 207248165 /nfs/dbraw/zinc/24/81/65/207248165.db2.gz MVNVYRWEGUYUQS-QHCPKHFHSA-N 0 0 381.435 4.835 50 0 GJAARN O=C(CSc1nnc(NC2CC2)s1)c1ccc2c(c1)-c1ccccc1C2 ZINC000022173104 207248641 /nfs/dbraw/zinc/24/86/41/207248641.db2.gz YQYFWWZSDVNNJS-UHFFFAOYSA-N 0 0 379.510 4.659 50 0 GJAARN CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000022409317 207253178 /nfs/dbraw/zinc/25/31/78/207253178.db2.gz YMAGGINJSWLMBN-ICSRJNTNSA-N 0 0 381.520 4.831 50 0 GJAARN CC(=O)N1N=C(c2cccc3ccccc32)O[C@@H]1c1cc(C)nc2ccccc21 ZINC000021941368 207243311 /nfs/dbraw/zinc/24/33/11/207243311.db2.gz QLHWSPBTBQJDTG-XMMPIXPASA-N 0 0 381.435 4.936 50 0 GJAARN Cc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021944621 207243487 /nfs/dbraw/zinc/24/34/87/207243487.db2.gz VDXWFXXDHNOODV-UHFFFAOYSA-N 0 0 390.462 4.874 50 0 biogenic GJAARN COCc1c(C(=O)N(C)Cc2cc(C)ccc2OC)sc2cccc(F)c21 ZINC000021938759 207243844 /nfs/dbraw/zinc/24/38/44/207243844.db2.gz NAPDCUCGMDCZLJ-UHFFFAOYSA-N 0 0 387.476 4.776 50 0 GJAARN CSc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000021934633 207243854 /nfs/dbraw/zinc/24/38/54/207243854.db2.gz SSARBPAFYAWJJY-UHFFFAOYSA-N 0 0 385.492 4.949 50 0 GJAARN CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@H]4CCCC[C@H]4C3)n2)cc1 ZINC000022409319 207253870 /nfs/dbraw/zinc/25/38/70/207253870.db2.gz YMAGGINJSWLMBN-QUCCMNQESA-N 0 0 381.520 4.831 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1 ZINC000022481184 207254758 /nfs/dbraw/zinc/25/47/58/207254758.db2.gz AIZQTNFGHUYXED-HXUWFJFHSA-N 0 0 386.499 4.616 50 0 GJAARN COc1ccc(CNC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1 ZINC000022506659 207254924 /nfs/dbraw/zinc/25/49/24/207254924.db2.gz OYRNNASBEZKTHL-UHFFFAOYSA-N 0 0 393.468 4.507 50 0 GJAARN COc1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cn1 ZINC000022475176 207255326 /nfs/dbraw/zinc/25/53/26/207255326.db2.gz CTNIHUBZEHXZNV-UHFFFAOYSA-N 0 0 393.390 4.793 50 0 GJAARN Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000022505130 207255567 /nfs/dbraw/zinc/25/55/67/207255567.db2.gz UYQDPROGOVPHTK-UHFFFAOYSA-N 0 0 379.529 4.804 50 0 GJAARN CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCCC2)cc1 ZINC000023109710 207268749 /nfs/dbraw/zinc/26/87/49/207268749.db2.gz MOFFLIFRXGNLNY-UHFFFAOYSA-N 0 0 394.540 4.929 50 0 GJAARN COc1cccc(CNC(=O)c2c(C)noc2-c2cccc(C(F)(F)F)c2)c1 ZINC000023316339 207273054 /nfs/dbraw/zinc/27/30/54/207273054.db2.gz HLFPMTSIASDCQY-UHFFFAOYSA-N 0 0 390.361 4.607 50 0 GJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)COc1ccccc1 ZINC000023318424 207273780 /nfs/dbraw/zinc/27/37/80/207273780.db2.gz OQGKWQSTFZNJNL-UHFFFAOYSA-N 0 0 395.480 4.533 50 0 GJAARN O=C(Nc1ccccc1)c1cc(C(F)(F)F)cc(C(=O)Nc2ccccc2)n1 ZINC000022996517 207266679 /nfs/dbraw/zinc/26/66/79/207266679.db2.gz YGQBVZSDTJSXSK-UHFFFAOYSA-N 0 0 385.345 4.605 50 0 GJAARN CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCCC2)cc1 ZINC000023109783 207267980 /nfs/dbraw/zinc/26/79/80/207267980.db2.gz DTBSGGQMJHCXOL-UHFFFAOYSA-N 0 0 380.513 4.620 50 0 GJAARN C[C@@H]1c2ccsc2CCN1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000023908965 207283825 /nfs/dbraw/zinc/28/38/25/207283825.db2.gz QNQUKUJZDGHTGO-CYBMUJFWSA-N 0 0 393.537 4.832 50 0 GJAARN Clc1ccc(CSc2n[nH]c(-c3ccccc3Br)n2)cn1 ZINC000023965499 207284723 /nfs/dbraw/zinc/28/47/23/207284723.db2.gz OOZDNBVUEKXJMQ-UHFFFAOYSA-N 0 0 381.686 4.575 50 0 GJAARN C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000023564090 207279660 /nfs/dbraw/zinc/27/96/60/207279660.db2.gz SNVOZJJYMDTIAJ-QGZVFWFLSA-N 0 0 395.462 4.987 50 0 GJAARN CC(C)OCc1c2ccccc2oc1C(=O)NCCc1cccc2cccnc21 ZINC000024971916 207297591 /nfs/dbraw/zinc/29/75/91/207297591.db2.gz CQVWQMYQGGMLGL-UHFFFAOYSA-N 0 0 388.467 4.879 50 0 GJAARN C[C@@H](OC(=O)c1cc2c(cccc2F)s1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000024899329 207297668 /nfs/dbraw/zinc/29/76/68/207297668.db2.gz FJEFHANSOUZRFB-NWDGAFQWSA-N 0 0 389.423 4.602 50 0 GJAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C2CCCCC2)cc1 ZINC000025044072 207299210 /nfs/dbraw/zinc/29/92/10/207299210.db2.gz OLKYZLYTLHUWBB-NRFANRHFSA-N 0 0 398.572 4.599 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cncc(Br)c2)cc1 ZINC000024392258 207290350 /nfs/dbraw/zinc/29/03/50/207290350.db2.gz IHQOLURABFLJGS-GOSISDBHSA-N 0 0 389.293 4.610 50 0 GJAARN Fc1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024432644 207290763 /nfs/dbraw/zinc/29/07/63/207290763.db2.gz IATKINLGQIDXND-IBGZPJMESA-N 0 0 380.419 4.589 50 0 GJAARN O=C(Nc1ccccc1Oc1ccccc1Cl)C1CCN(C(=O)C2CC2)CC1 ZINC000024401259 207290917 /nfs/dbraw/zinc/29/09/17/207290917.db2.gz IXUXDIFDZOIHBO-UHFFFAOYSA-N 0 0 398.890 4.719 50 0 GJAARN Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000024482078 207292041 /nfs/dbraw/zinc/29/20/41/207292041.db2.gz CMVTXQWJVOGSTK-HXUWFJFHSA-N 0 0 387.527 4.677 50 0 GJAARN CCc1nnsc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000024539364 207292364 /nfs/dbraw/zinc/29/23/64/207292364.db2.gz AUZSXXRJQPHIPN-UHFFFAOYSA-N 0 0 389.427 4.545 50 0 GJAARN COc1ccc2nc(NC(=O)c3ccc(OCc4cccnc4)cc3)sc2c1 ZINC000024667578 207293721 /nfs/dbraw/zinc/29/37/21/207293721.db2.gz MMRAHQBXKWVDGN-UHFFFAOYSA-N 0 0 391.452 4.531 50 0 GJAARN O=C(CSCc1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCCC1 ZINC000024843714 207296299 /nfs/dbraw/zinc/29/62/99/207296299.db2.gz VXKOIGYSMZEOMP-UHFFFAOYSA-N 0 0 391.540 4.831 50 0 GJAARN C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000024808401 207296777 /nfs/dbraw/zinc/29/67/77/207296777.db2.gz QHXVDKWIGKJOEM-SNVBAGLBSA-N 0 0 388.254 4.827 50 0 GJAARN O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000025666370 207306239 /nfs/dbraw/zinc/30/62/39/207306239.db2.gz JUMSYAFFAGVESX-UHFFFAOYSA-N 0 0 399.519 4.689 50 0 GJAARN O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc(Br)o1 ZINC000038490132 207308019 /nfs/dbraw/zinc/30/80/19/207308019.db2.gz KOEVRPADKPGQHT-UHFFFAOYSA-N 0 0 391.246 4.608 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2cc(Cl)ccc2Cl)C2CC2)c1 ZINC000026028791 207308158 /nfs/dbraw/zinc/30/81/58/207308158.db2.gz OCIQEJFDIPTAEL-UHFFFAOYSA-N 0 0 380.271 4.815 50 0 GJAARN CCCCCNC(=O)N(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000025060557 207300960 /nfs/dbraw/zinc/30/09/60/207300960.db2.gz IIEXOFIBTLFSCP-UHFFFAOYSA-N 0 0 376.932 4.533 50 0 GJAARN O=C(c1cc2cc(Br)ccc2o1)c1ccc(N2CCCC2=O)cc1 ZINC000025060419 207301230 /nfs/dbraw/zinc/30/12/30/207301230.db2.gz KTPJENMTSKSWRD-UHFFFAOYSA-N 0 0 384.229 4.553 50 0 GJAARN COCCN1C(=O)c2ccccc2N[C@H]1c1csc(-c2ccc(Cl)cc2)n1 ZINC000025310676 207303047 /nfs/dbraw/zinc/30/30/47/207303047.db2.gz PYNFNZADVIAWQI-GOSISDBHSA-N 0 0 399.903 4.676 50 0 GJAARN CCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(=O)oc2cc(C)ccc12 ZINC000025406975 207303430 /nfs/dbraw/zinc/30/34/30/207303430.db2.gz NCIHBOVURNYUKS-UHFFFAOYSA-N 0 0 395.484 4.625 50 0 GJAARN C[C@H]1Cc2ccc(-c3cc(COC(=O)c4ccc5ccccc5n4)no3)cc2O1 ZINC000038769285 207319520 /nfs/dbraw/zinc/31/95/20/207319520.db2.gz FEYGZUUUVVDLSJ-AWEZNQCLSA-N 0 0 386.407 4.570 50 0 GJAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3c4ccccc4C[C@@H]3C)c12 ZINC000026927816 207320930 /nfs/dbraw/zinc/32/09/30/207320930.db2.gz WWBCMCBOUHKGEK-ZDUSSCGKSA-N 0 0 388.496 4.597 50 0 GJAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2ccccn2)cc1 ZINC000027992181 207333345 /nfs/dbraw/zinc/33/33/45/207333345.db2.gz BOLSQVXNPGZJLR-UHFFFAOYSA-N 0 0 398.462 4.960 50 0 GJAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)cc1N1CCCC1=O ZINC000027492882 207325786 /nfs/dbraw/zinc/32/57/86/207325786.db2.gz NXKUGFSRILFDOU-UHFFFAOYSA-N 0 0 395.261 4.532 50 0 GJAARN CSc1ccc(CNn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000027531291 207327566 /nfs/dbraw/zinc/32/75/66/207327566.db2.gz XFCZVAQCLBVLIZ-UHFFFAOYSA-N 0 0 391.471 4.668 50 0 GJAARN COc1ccc(NC(=O)c2oc3cc(Br)ccc3c2C)c(OC)c1 ZINC000027663339 207328387 /nfs/dbraw/zinc/32/83/87/207328387.db2.gz BAPWVBJVBOPTON-UHFFFAOYSA-N 0 0 390.233 4.773 50 0 GJAARN CC(=O)Nc1cc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)ccc1C ZINC000040131999 207345390 /nfs/dbraw/zinc/34/53/90/207345390.db2.gz KGMSHOLHCHBTKT-UHFFFAOYSA-N 0 0 391.496 4.588 50 0 GJAARN CN(c1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000040122760 207345560 /nfs/dbraw/zinc/34/55/60/207345560.db2.gz FUDFZYALHTUJBR-UHFFFAOYSA-N 0 0 393.531 4.678 50 0 GJAARN O=C(c1ccc(Br)cc1)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028291434 207338694 /nfs/dbraw/zinc/33/86/94/207338694.db2.gz JCFREEUWMGEEGF-UHFFFAOYSA-N 0 0 385.236 4.830 50 0 GJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1cccs1 ZINC000028404496 207342289 /nfs/dbraw/zinc/34/22/89/207342289.db2.gz QXOUEURSJIYCKR-HNNXBMFYSA-N 0 0 383.517 4.696 50 0 GJAARN O=C(c1[nH]c2ccccc2c1Cl)N1CCC(c2nc3ccccc3o2)CC1 ZINC000040144645 207351214 /nfs/dbraw/zinc/35/12/14/207351214.db2.gz ITDPUKZCZDQAMO-UHFFFAOYSA-N 0 0 379.847 4.982 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)CSCc2ccccn2)cc1 ZINC000040152600 207353685 /nfs/dbraw/zinc/35/36/85/207353685.db2.gz RCOHSRHBOZWDPT-UHFFFAOYSA-N 0 0 380.469 4.754 50 0 GJAARN COCCN(Cc1cccs1)C(=O)COc1ccc2oc3ccccc3c2c1 ZINC000029236703 207357193 /nfs/dbraw/zinc/35/71/93/207357193.db2.gz LORACZLAGBTILZ-UHFFFAOYSA-N 0 0 395.480 4.702 50 0 GJAARN Cc1nc(SCC(=O)N[C@H](c2cccs2)C(C)C)[nH]c1Cc1ccccc1 ZINC000029239932 207358822 /nfs/dbraw/zinc/35/88/22/207358822.db2.gz WHDLBXHXSXHSPY-FQEVSTJZSA-N 0 0 399.585 4.976 50 0 GJAARN CCCCn1c(C)c(C)nc1S[C@H](C)C(=O)Nc1ccccc1OCC ZINC000029627539 207364886 /nfs/dbraw/zinc/36/48/86/207364886.db2.gz SIZYTTOFAXPTCJ-MRXNPFEDSA-N 0 0 375.538 4.818 50 0 GJAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)no1 ZINC000029607045 207365712 /nfs/dbraw/zinc/36/57/12/207365712.db2.gz SDMHFAHCHPYYQZ-UHFFFAOYSA-N 0 0 391.399 4.524 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1)NC1CC1 ZINC000030039664 207369467 /nfs/dbraw/zinc/36/94/67/207369467.db2.gz TZHIXQSRCTZXAK-UHFFFAOYSA-N 0 0 396.834 4.531 50 0 GJAARN COc1ccccc1CNc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 ZINC000030446857 207371754 /nfs/dbraw/zinc/37/17/54/207371754.db2.gz KSHOZCXVRDZKEH-UHFFFAOYSA-N 0 0 379.485 4.706 50 0 GJAARN COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc(OC)c1OC ZINC000030947942 207378624 /nfs/dbraw/zinc/37/86/24/207378624.db2.gz YVFXMJXDKIXCHW-UHFFFAOYSA-N 0 0 389.879 4.816 50 0 GJAARN Cc1ccc(C=Cc2nc(SCC(=O)c3ccc4c(c3)CCCC4)n[nH]2)o1 ZINC000031802365 207386286 /nfs/dbraw/zinc/38/62/86/207386286.db2.gz KLHHPBPYRUMHRQ-ZHACJKMWSA-N 0 0 379.485 4.730 50 0 GJAARN Cc1noc(C(C)C)c1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000031818617 207387374 /nfs/dbraw/zinc/38/73/74/207387374.db2.gz KIFSOSJZIWXMRP-UHFFFAOYSA-N 0 0 389.499 4.599 50 0 GJAARN C[C@H](NC(=O)CCCC(=O)c1cccs1)c1ccc(OC(F)(F)F)cc1 ZINC000031951942 207388920 /nfs/dbraw/zinc/38/89/20/207388920.db2.gz OAAZOEYXYYLRMM-LBPRGKRZSA-N 0 0 385.407 4.877 50 0 GJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1Cl ZINC000032069824 207389409 /nfs/dbraw/zinc/38/94/09/207389409.db2.gz PHVWCNNPEDWJNM-MRXNPFEDSA-N 0 0 380.835 4.683 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1cc(C)ccc1C ZINC000032525811 207396353 /nfs/dbraw/zinc/39/63/53/207396353.db2.gz PZOAGBDBRGJPNP-UHFFFAOYSA-N 0 0 391.515 4.533 50 0 GJAARN C[C@H](NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1 ZINC000032578747 207396707 /nfs/dbraw/zinc/39/67/07/207396707.db2.gz AWIVBDMKQRKVRW-KRWDZBQOSA-N 0 0 399.450 4.660 50 0 GJAARN Cc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000032593453 207397050 /nfs/dbraw/zinc/39/70/50/207397050.db2.gz XTHUJIDPYXCETD-FQEVSTJZSA-N 0 0 385.891 4.684 50 0 GJAARN CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1cccc(Cl)c1 ZINC000032776117 207406621 /nfs/dbraw/zinc/40/66/21/207406621.db2.gz DTGCICVNWMWVER-CQSZACIVSA-N 0 0 394.972 4.744 50 0 GJAARN COc1ccccc1NC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000032985694 207427615 /nfs/dbraw/zinc/42/76/15/207427615.db2.gz XQJXEXXCPGRZBB-UHFFFAOYSA-N 0 0 384.435 4.928 50 0 GJAARN CC(=O)c1ccc(NC(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000032937001 207423265 /nfs/dbraw/zinc/42/32/65/207423265.db2.gz LWQHSDHWIHQLSS-OAQYLSRUSA-N 0 0 392.430 4.970 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1nc2ccccc2nc1N1CCCCC1 ZINC000032958397 207424412 /nfs/dbraw/zinc/42/44/12/207424412.db2.gz OSNQOZQLWXSHTG-UHFFFAOYSA-N 0 0 380.879 4.834 50 0 GJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000033128706 207439796 /nfs/dbraw/zinc/43/97/96/207439796.db2.gz BOWMNVMOJMCZPU-UHFFFAOYSA-N 0 0 387.439 4.542 50 0 GJAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1cccc(C)c1 ZINC000033312644 207452161 /nfs/dbraw/zinc/45/21/61/207452161.db2.gz QSHLYSWWNCOZRH-UHFFFAOYSA-N 0 0 380.517 4.941 50 0 GJAARN Cc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c(NC(=O)C(C)C)c1 ZINC000034735716 207473319 /nfs/dbraw/zinc/47/33/19/207473319.db2.gz KAHRSBLHVDKIPY-UHFFFAOYSA-N 0 0 383.467 4.561 50 0 GJAARN CCOC(=O)CCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907711 207478377 /nfs/dbraw/zinc/47/83/77/207478377.db2.gz NHFMNSORPZVFIB-IBGZPJMESA-N 0 0 392.455 4.502 50 0 GJAARN Cc1ccn2c(c1)nc(CCc1ccccc1)c2NC(=O)CCc1ccccc1 ZINC000034913061 207479668 /nfs/dbraw/zinc/47/96/68/207479668.db2.gz KPWBYHVILIOJHQ-UHFFFAOYSA-N 0 0 383.495 4.999 50 0 GJAARN CCCC(=O)Nc1ccc(N(C)C)c(CN(CCC)C(=O)C(CC)CC)c1 ZINC000034921624 207479927 /nfs/dbraw/zinc/47/99/27/207479927.db2.gz RRHAPXWQQOMDJA-UHFFFAOYSA-N 0 0 375.557 4.666 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1OC ZINC000035552234 207495934 /nfs/dbraw/zinc/49/59/34/207495934.db2.gz BOTHBIZRNZXKHX-UHFFFAOYSA-N 0 0 393.443 4.664 50 0 GJAARN Cc1ccc(OCc2nc(CN(C(=O)c3cccs3)C3CC3)cs2)cc1 ZINC000036032286 207507091 /nfs/dbraw/zinc/50/70/91/207507091.db2.gz FPZVWVRGFYAOFL-UHFFFAOYSA-N 0 0 384.526 4.897 50 0 GJAARN COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2C)cc1 ZINC000036248415 207518520 /nfs/dbraw/zinc/51/85/20/207518520.db2.gz FVIVHGMRVQTAMW-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN CCCNC(=O)CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398183 207542911 /nfs/dbraw/zinc/54/29/11/207542911.db2.gz DWVWWPWQWCOUTP-UHFFFAOYSA-N 0 0 390.314 4.850 50 0 GJAARN CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000040049276 207569716 /nfs/dbraw/zinc/56/97/16/207569716.db2.gz WFHUGVMHYAPDRQ-LJQANCHMSA-N 0 0 378.472 4.656 50 0 GJAARN COc1ccccc1CCNC(=O)c1cc2sccc2n1Cc1ccccc1 ZINC000037525810 207545623 /nfs/dbraw/zinc/54/56/23/207545623.db2.gz ZJBAJJDWGYTRQR-UHFFFAOYSA-N 0 0 390.508 4.732 50 0 GJAARN CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037555133 207548095 /nfs/dbraw/zinc/54/80/95/207548095.db2.gz SZYIZHNIVMKZHM-OBGWFSINSA-N 0 0 398.506 4.612 50 0 GJAARN Cc1ccc(C(=O)N([C@@H](C)C2CC2)C2CC2)cc1NC(=O)c1ccccc1F ZINC000042917066 207628129 /nfs/dbraw/zinc/62/81/29/207628129.db2.gz KIIVQGRYGVLWCW-HNNXBMFYSA-N 0 0 380.463 4.790 50 0 GJAARN 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/nfs/dbraw/zinc/67/51/66/208675166.db2.gz QUJVDEWPEOWCDR-UHFFFAOYSA-N 0 0 376.585 4.768 50 0 GJAARN COc1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 ZINC000006623874 208681405 /nfs/dbraw/zinc/68/14/05/208681405.db2.gz QKWUKCKIUCNUCO-UHFFFAOYSA-N 0 0 391.423 4.654 50 0 biogenic GJAARN Cn1c2ccc3ccccc3c2s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000100842152 208707744 /nfs/dbraw/zinc/70/77/44/208707744.db2.gz XJTJKWKHGYPETG-XDOYNYLZSA-N 0 0 375.478 4.744 50 0 GJAARN CCCn1c2c(s/c1=N\C(=O)c1ccc(Cl)s1)c(OC)ccc2OC ZINC000101061493 208708151 /nfs/dbraw/zinc/70/81/51/208708151.db2.gz MQGJPEYATNCQNQ-ZPHPHTNESA-N 0 0 396.921 4.586 50 0 GJAARN O=C(Nc1ccccc1OC(F)F)c1cc(Br)ccc1Cl ZINC000001268863 208708909 /nfs/dbraw/zinc/70/89/09/208708909.db2.gz HGIVDKZEQNQLFJ-UHFFFAOYSA-N 0 0 376.584 4.956 50 0 GJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000001119258 208710122 /nfs/dbraw/zinc/71/01/22/208710122.db2.gz JNNJHIRDHUTQDI-ZDUSSCGKSA-N 0 0 377.868 4.888 50 0 GJAARN Cc1nnc([C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)s1 ZINC000170594244 208749130 /nfs/dbraw/zinc/74/91/30/208749130.db2.gz CNHFUVBEAYOLKI-ZDUSSCGKSA-N 0 0 394.529 4.651 50 0 GJAARN CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(C(C)=O)cc2)cs1 ZINC000012617439 208773159 /nfs/dbraw/zinc/77/31/59/208773159.db2.gz RDVCNVCXYKDLRC-UHFFFAOYSA-N 0 0 380.469 4.593 50 0 GJAARN CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(C)C ZINC000012869916 208775444 /nfs/dbraw/zinc/77/54/44/208775444.db2.gz OKKKNXCEXJXRDQ-GOSISDBHSA-N 0 0 393.512 4.576 50 0 GJAARN COc1cc(-c2csc(NCCc3cccs3)n2)cc(OC)c1OC ZINC000012903008 208777387 /nfs/dbraw/zinc/77/73/87/208777387.db2.gz UMPILOXSLSPUHZ-UHFFFAOYSA-N 0 0 376.503 4.552 50 0 GJAARN COc1cccc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)c1 ZINC000012914066 208777738 /nfs/dbraw/zinc/77/77/38/208777738.db2.gz REWKFWMPHNWOBL-UHFFFAOYSA-N 0 0 399.450 4.651 50 0 GJAARN C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 ZINC000016576673 208797219 /nfs/dbraw/zinc/79/72/19/208797219.db2.gz VOAHIOBULFQAOI-UHSVVUDUSA-N 0 0 377.326 4.778 50 0 GJAARN CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000016086571 208796744 /nfs/dbraw/zinc/79/67/44/208796744.db2.gz WDJCWBHIKPSVCR-INIZCTEOSA-N 0 0 379.481 4.596 50 0 GJAARN COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000017323593 208800670 /nfs/dbraw/zinc/80/06/70/208800670.db2.gz HMLDRTNYCBAUFF-QGZVFWFLSA-N 0 0 391.467 4.774 50 0 GJAARN COC(=O)CCCCCNC(=O)c1ccccc1SCc1cccs1 ZINC000021970258 208828880 /nfs/dbraw/zinc/82/88/80/208828880.db2.gz LAEVWZMDGOCMAB-UHFFFAOYSA-N 0 0 377.531 4.504 50 0 GJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cncc(Br)c1 ZINC000000977550 220473134 /nfs/dbraw/zinc/47/31/34/220473134.db2.gz XTCKNTUMKSWHGF-UHFFFAOYSA-N 0 0 393.244 4.640 50 0 GJAARN Cc1ccccc1[C@]1(O)CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1 ZINC000220074707 208858004 /nfs/dbraw/zinc/85/80/04/208858004.db2.gz PDTUOVVUNHWBAU-DEOSSOPVSA-N 0 0 375.443 4.535 50 0 GJAARN O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc2c(c1)OCC(=O)N2 ZINC000024401343 208869006 /nfs/dbraw/zinc/86/90/06/208869006.db2.gz KEINQCQVAYNRIA-UHFFFAOYSA-N 0 0 394.814 4.716 50 0 GJAARN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1C ZINC000001165319 220480963 /nfs/dbraw/zinc/48/09/63/220480963.db2.gz QRFVQAQBVUKFLQ-CYBMUJFWSA-N 0 0 377.271 4.602 50 0 GJAARN Cc1cc2c(c(SCc3ccc(F)cc3)n1)C(=O)N(C1CCCCC1)C2=O ZINC000001405570 220494916 /nfs/dbraw/zinc/49/49/16/220494916.db2.gz ODYJYRLBHKUHEY-UHFFFAOYSA-N 0 0 384.476 4.750 50 0 GJAARN C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000027745052 208922465 /nfs/dbraw/zinc/92/24/65/208922465.db2.gz GMSWVXGNLSKIRU-NSHDSACASA-N 0 0 386.211 4.888 50 0 GJAARN CC(C)Cn1c(N)c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002260958 220516251 /nfs/dbraw/zinc/51/62/51/220516251.db2.gz VCHKEOLLNYTAMU-UHFFFAOYSA-N 0 0 393.878 4.728 50 0 GJAARN Cc1nc(=O)c(-c2ccccc2)c(C)n1N(Cc1ccccc1)c1ccccc1 ZINC000002269800 220518037 /nfs/dbraw/zinc/51/80/37/220518037.db2.gz TWBOMZOAVPOZID-UHFFFAOYSA-N 0 0 381.479 4.997 50 0 GJAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccco1 ZINC000002366892 220526526 /nfs/dbraw/zinc/52/65/26/220526526.db2.gz WVCQBPYTXPAHKH-UHFFFAOYSA-N 0 0 397.287 4.596 50 0 GJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O)c1ccccc1 ZINC000002408092 220532462 /nfs/dbraw/zinc/53/24/62/220532462.db2.gz MCEFSJVOEVDHJN-PMACEKPBSA-N 0 0 399.494 4.830 50 0 GJAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc(C)cc2)n1 ZINC000002448318 220535365 /nfs/dbraw/zinc/53/53/65/220535365.db2.gz TVUALLJCOFNMTM-UHFFFAOYSA-N 0 0 377.469 4.978 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1Cc1ccco1 ZINC000002618967 220544499 /nfs/dbraw/zinc/54/44/99/220544499.db2.gz DBBUZFWFIUKKNE-UHFFFAOYSA-N 0 0 393.468 4.771 50 0 GJAARN C[C@@H](O)c1ccc(C2(CNC(=O)c3ccc4ncsc4c3)CCCC2)s1 ZINC000225681473 208967330 /nfs/dbraw/zinc/96/73/30/208967330.db2.gz WMEMCTDLKIOFJQ-CYBMUJFWSA-N 0 0 386.542 4.653 50 0 GJAARN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000030315840 208973175 /nfs/dbraw/zinc/97/31/75/208973175.db2.gz RZKGFPFYFYGNIH-CQSZACIVSA-N 0 0 380.916 4.507 50 0 GJAARN Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(=O)c2cccs2)cc1 ZINC000031296946 208984641 /nfs/dbraw/zinc/98/46/41/208984641.db2.gz MHYPXXKOEDKBEX-OAHLLOKOSA-N 0 0 380.469 4.606 50 0 GJAARN O=S(=O)(CCCCC(Cl)(Cl)Cl)Nc1cccc(C(F)(F)F)c1 ZINC000002697189 220552666 /nfs/dbraw/zinc/55/26/66/220552666.db2.gz OZDGRDHIAOXGKF-UHFFFAOYSA-N 0 0 398.661 4.988 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000002725257 220556815 /nfs/dbraw/zinc/55/68/15/220556815.db2.gz UVFXYAZYCZGBFQ-UHFFFAOYSA-N 0 0 392.255 4.514 50 0 GJAARN CC[C@@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000002721830 220556852 /nfs/dbraw/zinc/55/68/52/220556852.db2.gz XCSOXLUJTWLCOS-CYBMUJFWSA-N 0 0 377.487 4.966 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cccc(O)c3)C[C@@H]21 ZINC000227487004 209000368 /nfs/dbraw/zinc/00/03/68/209000368.db2.gz UYNIDVCEECNRFJ-AVRDEDQJSA-N 0 0 376.412 4.626 50 0 GJAARN Nc1ccc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1 ZINC000059040730 208998221 /nfs/dbraw/zinc/99/82/21/208998221.db2.gz YDGWAYWHWLJAMA-UHFFFAOYSA-N 0 0 399.419 4.508 50 0 GJAARN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(Cl)c(Cl)c1 ZINC000002879151 220580046 /nfs/dbraw/zinc/58/00/46/220580046.db2.gz HYFNLGAVSYDTJK-UHFFFAOYSA-N 0 0 391.279 4.979 50 0 GJAARN Cc1c(C(=O)N2CCC(C)CC2)sc2ncnc(N(C)c3ccccc3)c12 ZINC000002926858 220585223 /nfs/dbraw/zinc/58/52/23/220585223.db2.gz LDWQLYFPFGGNTG-UHFFFAOYSA-N 0 0 380.517 4.640 50 0 GJAARN O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 ZINC000003330788 220629090 /nfs/dbraw/zinc/62/90/90/220629090.db2.gz JJLNRHRKOARNNF-UHFFFAOYSA-N 0 0 379.843 4.731 50 0 GJAARN Cc1cccc(C)c1N(C(=O)c1ccc2c(c1)OCCO2)C1=NC(C)(C)CS1 ZINC000003349308 220632280 /nfs/dbraw/zinc/63/22/80/220632280.db2.gz HGWVYFZDDVTWFJ-UHFFFAOYSA-N 0 0 396.512 4.603 50 0 GJAARN C[C@H](Sc1ncnc2sccc21)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003353534 220633294 /nfs/dbraw/zinc/63/32/94/220633294.db2.gz HSQLNLKRLLWJJE-NSHDSACASA-N 0 0 398.538 4.934 50 0 GJAARN O=C(CCCSc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1 ZINC000003429944 220644108 /nfs/dbraw/zinc/64/41/08/220644108.db2.gz YZBREUNQNJJNFM-UHFFFAOYSA-N 0 0 392.459 4.710 50 0 GJAARN COc1ccccc1[C@]1(CCN(Cc2ccco2)C(C)=O)CCO[C@H](C(C)C)C1 ZINC000004043684 220673471 /nfs/dbraw/zinc/67/34/71/220673471.db2.gz KPOYUKJSTNRRRV-BJKOFHAPSA-N 0 0 399.531 4.800 50 0 biogenic GJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c1 ZINC000004039932 220674090 /nfs/dbraw/zinc/67/40/90/220674090.db2.gz HZGKIKCZPCBRSK-REWPJTCUSA-N 0 0 378.472 4.524 50 0 biogenic GJAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc21 ZINC000004273241 220699567 /nfs/dbraw/zinc/69/95/67/220699567.db2.gz XDSJXKLNAHGFRZ-UHFFFAOYSA-N 0 0 395.509 4.999 50 0 GJAARN O=C(c1cc2ccccc2o1)N1CCN=C1SCc1c(F)cccc1Cl ZINC000004120171 220683569 /nfs/dbraw/zinc/68/35/69/220683569.db2.gz RJEWJBZEBRNVBO-UHFFFAOYSA-N 0 0 388.851 4.971 50 0 GJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(C)ccc1OC ZINC000004192457 220691326 /nfs/dbraw/zinc/69/13/26/220691326.db2.gz MFKFTITWPFTWNX-UHFFFAOYSA-N 0 0 380.444 4.871 50 0 GJAARN CCCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(CC)ccc21 ZINC000004193283 220691539 /nfs/dbraw/zinc/69/15/39/220691539.db2.gz APIRTNPZFHHSQW-UHFFFAOYSA-N 0 0 397.540 4.759 50 0 GJAARN O=C1C[C@H](c2cccc(F)c2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 ZINC000004185523 220691786 /nfs/dbraw/zinc/69/17/86/220691786.db2.gz NOLCRVYMMLXAOL-KLXDDXCJSA-N 0 0 383.492 4.762 50 0 GJAARN Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2)cc1 ZINC000004518141 220724506 /nfs/dbraw/zinc/72/45/06/220724506.db2.gz RNSKTABUJJTYKT-UHFFFAOYSA-N 0 0 389.503 4.860 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000004663361 220742905 /nfs/dbraw/zinc/74/29/05/220742905.db2.gz AXFSOYRRAHPVPM-UHFFFAOYSA-N 0 0 388.486 4.697 50 0 GJAARN COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715781 220752725 /nfs/dbraw/zinc/75/27/25/220752725.db2.gz QNCPMJBPCJZYDS-UTKZUKDTSA-N 0 0 382.366 4.809 50 0 GJAARN COc1c(F)c(F)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1F ZINC000004727702 220754147 /nfs/dbraw/zinc/75/41/47/220754147.db2.gz RXIBJWHASAPCSM-CJUVXIJUSA-N 0 0 385.401 4.586 50 0 GJAARN Cn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1F ZINC000004800322 220766716 /nfs/dbraw/zinc/76/67/16/220766716.db2.gz HJTFIXQNOKRHTL-UHFFFAOYSA-N 0 0 392.297 4.600 50 0 GJAARN CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CO[C@@H](C(C)C)C4 ZINC000005024632 220812687 /nfs/dbraw/zinc/81/26/87/220812687.db2.gz YQPQFDFBYKEJHR-CQSZACIVSA-N 0 0 396.541 4.825 50 0 GJAARN Cc1ccccc1-c1nc2c(cc(Br)c(N)c2Br)o1 ZINC000005033062 220816048 /nfs/dbraw/zinc/81/60/48/220816048.db2.gz GVFSAXRETFCLHY-UHFFFAOYSA-N 0 0 382.055 4.910 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c(OC)c1 ZINC000005048045 220818541 /nfs/dbraw/zinc/81/85/41/220818541.db2.gz HJVBGMLPHFIFRL-UHFFFAOYSA-N 0 0 381.453 4.885 50 0 aggregator GJAARN CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 ZINC000005136348 220832610 /nfs/dbraw/zinc/83/26/10/220832610.db2.gz WOPKPEYUSSBJFL-UHFFFAOYSA-N 0 0 390.405 4.893 50 0 GJAARN Cc1cc2sc(N3CCC(C(=O)NCc4ccccc4C)CC3)nc2c(C)c1 ZINC000005137128 220834257 /nfs/dbraw/zinc/83/42/57/220834257.db2.gz ORAAJCHESMVLJZ-UHFFFAOYSA-N 0 0 393.556 4.754 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NCCc1csc(-c2cccc(F)c2)n1 ZINC000005137460 220834739 /nfs/dbraw/zinc/83/47/39/220834739.db2.gz GMCWUMKHXPPARS-UHFFFAOYSA-N 0 0 390.867 4.584 50 0 GJAARN O=C(NCCCc1ccccc1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005144495 220835284 /nfs/dbraw/zinc/83/52/84/220835284.db2.gz BNPOGUTVFULDSY-UHFFFAOYSA-N 0 0 379.529 4.649 50 0 GJAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(F)cc3)nc2c1 ZINC000005142281 220835332 /nfs/dbraw/zinc/83/53/32/220835332.db2.gz WLWJKLMSGQRTPZ-UHFFFAOYSA-N 0 0 393.443 4.686 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000005101303 220830246 /nfs/dbraw/zinc/83/02/46/220830246.db2.gz YUICQIPNQZSRCQ-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1 ZINC000005256239 220850888 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Cc1ccc(-n2ccnc(S[C@H](C)C(=O)c3ccc(C)c(C)c3)c2=O)cc1 ZINC000012415277 221189863 /nfs/dbraw/zinc/18/98/63/221189863.db2.gz ASKUPABACYTRNI-QGZVFWFLSA-N 0 0 378.497 4.521 50 0 GJAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 ZINC000012416178 221190608 /nfs/dbraw/zinc/19/06/08/221190608.db2.gz OORVBJAUAPTISU-AWEZNQCLSA-N 0 0 387.361 4.584 50 0 GJAARN COc1ccc([C@H]2CCCN2Cn2ncn(-c3ccccc3C)c2=S)cc1 ZINC000012597731 221212525 /nfs/dbraw/zinc/21/25/25/221212525.db2.gz DDRFRJFSFCJEMP-HXUWFJFHSA-N 0 0 380.517 4.515 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 ZINC000012595524 221212944 /nfs/dbraw/zinc/21/29/44/221212944.db2.gz NBHVJJCMPKDAMC-UGSOOPFHSA-N 0 0 377.271 4.739 50 0 GJAARN C=Cc1ccc(C(=O)N2CCC(CCc3ccccc3)(C(=O)OCC)CC2)cc1 ZINC000012596905 221213110 /nfs/dbraw/zinc/21/31/10/221213110.db2.gz NHNOEQQZYLMGKF-UHFFFAOYSA-N 0 0 391.511 4.748 50 0 GJAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000012607045 221214806 /nfs/dbraw/zinc/21/48/06/221214806.db2.gz PNNNWQQBXOOWSE-CYBMUJFWSA-N 0 0 395.261 4.623 50 0 GJAARN Cc1sc2[nH]c(CN3CCc4ccccc43)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012617050 221214993 /nfs/dbraw/zinc/21/49/93/221214993.db2.gz MAQPJIPTCAFHHQ-UHFFFAOYSA-N 0 0 387.508 4.831 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)n2)cc1 ZINC000012617444 221215314 /nfs/dbraw/zinc/21/53/14/221215314.db2.gz HEGUNFUYWWETLA-SFHVURJKSA-N 0 0 384.888 4.968 50 0 GJAARN Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000012627298 221215522 /nfs/dbraw/zinc/21/55/22/221215522.db2.gz FVZRDTWMOVJJHO-KRWDZBQOSA-N 0 0 379.847 4.648 50 0 GJAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000012710077 221219267 /nfs/dbraw/zinc/21/92/67/221219267.db2.gz AULVGJITDZDFMO-SFHVURJKSA-N 0 0 385.577 4.898 50 0 GJAARN Cc1ccc(OCc2cc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)no2)cc1C ZINC000012706339 221219431 /nfs/dbraw/zinc/21/94/31/221219431.db2.gz LLNIRELUPLBLPW-SFHVURJKSA-N 0 0 394.446 4.639 50 0 GJAARN CSc1ccc(C(=O)[C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000012709598 221219672 /nfs/dbraw/zinc/21/96/72/221219672.db2.gz WULJCXBMTQPPGK-FQEVSTJZSA-N 0 0 391.540 4.689 50 0 GJAARN COc1ccc(F)c(CN[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)c1 ZINC000012708125 221220079 /nfs/dbraw/zinc/22/00/79/221220079.db2.gz MWXJLMRMJDTSOW-NRFANRHFSA-N 0 0 379.479 4.804 50 0 GJAARN CCCCc1noc(CSc2nnc(-c3cccc(Br)c3)o2)n1 ZINC000012737832 221222311 /nfs/dbraw/zinc/22/23/11/221222311.db2.gz MXOBNJDDQPHXAE-UHFFFAOYSA-N 0 0 395.282 4.517 50 0 GJAARN CCc1ccc([C@@H](C)NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)cc1 ZINC000012798953 221233807 /nfs/dbraw/zinc/23/38/07/221233807.db2.gz JHXZHFNBWITRFM-IIBYNOLFSA-N 0 0 392.524 4.659 50 0 GJAARN C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)c(Cl)c1 ZINC000012744533 221224116 /nfs/dbraw/zinc/22/41/16/221224116.db2.gz GORZOJPJZQMLCF-SECBINFHSA-N 0 0 383.300 4.894 50 0 GJAARN CSc1ncc(C(=O)Nc2cc(Cl)ccc2F)n1-c1ccc(F)cc1 ZINC000012754656 221225128 /nfs/dbraw/zinc/22/51/28/221225128.db2.gz PBAZPIRIKSTVIK-UHFFFAOYSA-N 0 0 379.819 4.778 50 0 GJAARN CC(C)Sc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2o1 ZINC000012753096 221225589 /nfs/dbraw/zinc/22/55/89/221225589.db2.gz IWPBKPPBKRZLKX-UHFFFAOYSA-N 0 0 382.894 4.783 50 0 GJAARN COc1cccc(-c2nc(CN(C)CC(=O)Nc3cccc(C)c3C)cs2)c1 ZINC000012758324 221226728 /nfs/dbraw/zinc/22/67/28/221226728.db2.gz KTYMYFAWIADFLP-UHFFFAOYSA-N 0 0 395.528 4.506 50 0 GJAARN O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012763533 221227965 /nfs/dbraw/zinc/22/79/65/221227965.db2.gz QVAZNSUZHHTLMQ-UHFFFAOYSA-N 0 0 378.875 4.547 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(F)c(F)c1 ZINC000012768381 221229092 /nfs/dbraw/zinc/22/90/92/221229092.db2.gz ILEQTEJKPYIOSW-UHFFFAOYSA-N 0 0 382.414 4.592 50 0 GJAARN O=C(CCCc1cccs1)Nc1ccc(C2=CSC3=NCCCN23)cc1 ZINC000012775917 221230151 /nfs/dbraw/zinc/23/01/51/221230151.db2.gz LJCLELHWVMQZSP-UHFFFAOYSA-N 0 0 383.542 4.816 50 0 GJAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1nc(C(C)(C)C)no1)OCCO3 ZINC000012777659 221230366 /nfs/dbraw/zinc/23/03/66/221230366.db2.gz OHFQHRYZQUFFSX-HNNXBMFYSA-N 0 0 397.519 4.527 50 0 GJAARN Cc1ccc(O[C@H](C)C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012786085 221231138 /nfs/dbraw/zinc/23/11/38/221231138.db2.gz GSESJJJONDWMCH-VGOFRKELSA-N 0 0 377.509 4.998 50 0 GJAARN Cc1cc(NC(=O)Cc2csc(-c3ccco3)n2)ccc1Br ZINC000012785284 221231309 /nfs/dbraw/zinc/23/13/09/221231309.db2.gz FKQTXZXWCLWJDP-UHFFFAOYSA-N 0 0 377.263 4.655 50 0 GJAARN Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000012795774 221232974 /nfs/dbraw/zinc/23/29/74/221232974.db2.gz PYBPJDJOAJDNKM-UHFFFAOYSA-N 0 0 394.471 4.772 50 0 GJAARN c1csc(-c2cc(CSc3nnc([C@H]4COc5ccccc5O4)o3)no2)c1 ZINC000012906049 221243955 /nfs/dbraw/zinc/24/39/55/221243955.db2.gz YYRSBANAROZYIN-OAHLLOKOSA-N 0 0 399.453 4.591 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Br)cc1F ZINC000012807815 221235361 /nfs/dbraw/zinc/23/53/61/221235361.db2.gz NPNDEUMTYFGQGT-UHFFFAOYSA-N 0 0 389.224 4.733 50 0 GJAARN COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000012819390 221236864 /nfs/dbraw/zinc/23/68/64/221236864.db2.gz HJHQMLCCPRQVCI-GDNBJRDFSA-N 0 0 389.839 4.675 50 0 GJAARN CCC(CC)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012835997 221237018 /nfs/dbraw/zinc/23/70/18/221237018.db2.gz KRKJVCCDOQHGKQ-JOCHJYFZSA-N 0 0 394.515 4.728 50 0 GJAARN Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)n1 ZINC000012870945 221240228 /nfs/dbraw/zinc/24/02/28/221240228.db2.gz FEYWQYJKOFUTBU-UHFFFAOYSA-N 0 0 378.272 4.602 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1 ZINC000012884945 221241247 /nfs/dbraw/zinc/24/12/47/221241247.db2.gz QIHAYQGANPTGIE-UHFFFAOYSA-N 0 0 391.500 4.950 50 0 GJAARN Cc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C)o1 ZINC000012919934 221246312 /nfs/dbraw/zinc/24/63/12/221246312.db2.gz ZWMAIGVTUORSMA-MRXNPFEDSA-N 0 0 376.456 4.982 50 0 GJAARN C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc2c(c1)OCO2 ZINC000012922462 221246819 /nfs/dbraw/zinc/24/68/19/221246819.db2.gz SPKXZNUXGHARAD-GFCCVEGCSA-N 0 0 379.437 4.527 50 0 GJAARN Fc1ccc([C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 ZINC000012933299 221248185 /nfs/dbraw/zinc/24/81/85/221248185.db2.gz VATBBVCHFTXOMX-HNNXBMFYSA-N 0 0 393.369 4.545 50 0 GJAARN COc1cccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c1 ZINC000012936973 221248198 /nfs/dbraw/zinc/24/81/98/221248198.db2.gz MGGYKWYVICASQG-UHFFFAOYSA-N 0 0 388.876 4.876 50 0 GJAARN Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)n2)c1 ZINC000012942269 221248873 /nfs/dbraw/zinc/24/88/73/221248873.db2.gz XKLURQKHPMUVBA-INIZCTEOSA-N 0 0 395.459 4.631 50 0 GJAARN Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 ZINC000012942386 221249354 /nfs/dbraw/zinc/24/93/54/221249354.db2.gz BMPDQZZAWMYYMA-UHFFFAOYSA-N 0 0 388.467 4.773 50 0 GJAARN Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012938101 221249361 /nfs/dbraw/zinc/24/93/61/221249361.db2.gz LSUJBQYLURYCKZ-HNNXBMFYSA-N 0 0 399.537 4.618 50 0 GJAARN O=C(C[C@H]1C=CCC1)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000012971680 221249823 /nfs/dbraw/zinc/24/98/23/221249823.db2.gz OTBKTPGCRFTDBL-FQEVSTJZSA-N 0 0 379.500 4.897 50 0 GJAARN COc1ccc(OCCC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000012981982 221252387 /nfs/dbraw/zinc/25/23/87/221252387.db2.gz SRMCPWJJXGKDEU-UHFFFAOYSA-N 0 0 384.657 4.519 50 0 GJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000013002555 221255002 /nfs/dbraw/zinc/25/50/02/221255002.db2.gz GAKOWHWEQUSSEV-LBPRGKRZSA-N 0 0 393.270 4.526 50 0 GJAARN O=C(Nc1ccc(OC(F)F)cc1)c1cccnc1SCC(F)(F)F ZINC000013012765 221257701 /nfs/dbraw/zinc/25/77/01/221257701.db2.gz VGMZOCZURYHGJR-UHFFFAOYSA-N 0 0 378.322 4.590 50 0 GJAARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccs3)C[C@@H]21 ZINC000013036508 221259329 /nfs/dbraw/zinc/25/93/29/221259329.db2.gz MIFOYGKZZZWSPE-LAUBAEHRSA-N 0 0 377.469 4.784 50 0 GJAARN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCC2 ZINC000013058361 221259675 /nfs/dbraw/zinc/25/96/75/221259675.db2.gz ZIVNTHFDSSVVSB-UHFFFAOYSA-N 0 0 375.799 4.648 50 0 GJAARN CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000013056893 221259732 /nfs/dbraw/zinc/25/97/32/221259732.db2.gz IYHKWKXYNYXLAP-OAHLLOKOSA-N 0 0 385.529 4.614 50 0 GJAARN COc1ccc2c(C)cc3nn(CN4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c2c1 ZINC000013097674 221259959 /nfs/dbraw/zinc/25/99/59/221259959.db2.gz VEAGFMGVFNJHKI-LPHOPBHVSA-N 0 0 396.560 4.948 50 0 GJAARN CC(C)CCOc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 ZINC000013071468 221260443 /nfs/dbraw/zinc/26/04/43/221260443.db2.gz NTUILJJUHGOMFT-UHFFFAOYSA-N 0 0 375.896 4.916 50 0 GJAARN C[C@H](C(=O)Nc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013112876 221262066 /nfs/dbraw/zinc/26/20/66/221262066.db2.gz WFWCYMXIJRHOSZ-HUUCEWRRSA-N 0 0 383.492 4.642 50 0 GJAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000013281407 221264152 /nfs/dbraw/zinc/26/41/52/221264152.db2.gz HSZFELPGBXBMGI-UHFFFAOYSA-N 0 0 378.300 4.620 50 0 GJAARN COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000013564054 221273429 /nfs/dbraw/zinc/27/34/29/221273429.db2.gz IXKMRGOQLGZODC-QGZVFWFLSA-N 0 0 385.467 4.584 50 0 GJAARN CC(C)c1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1 ZINC000013723215 221284014 /nfs/dbraw/zinc/28/40/14/221284014.db2.gz HTOVRVWWIGEIJY-UHFFFAOYSA-N 0 0 394.496 4.886 50 0 GJAARN O=C(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)NCc1cccs1 ZINC000013716675 221284606 /nfs/dbraw/zinc/28/46/06/221284606.db2.gz YOHUPBAFQFCPSI-UHFFFAOYSA-N 0 0 384.888 4.513 50 0 GJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)cn1 ZINC000014183565 221301985 /nfs/dbraw/zinc/30/19/85/221301985.db2.gz UKNVNLZCQWLDGW-UHFFFAOYSA-N 0 0 394.500 4.750 50 0 GJAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000014074910 221296917 /nfs/dbraw/zinc/29/69/17/221296917.db2.gz LPZWIEZZDOUSEX-RTFZILSDSA-N 0 0 389.495 4.936 50 0 GJAARN C[C@H](Nc1nc(-c2cccnc2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000014077571 221298949 /nfs/dbraw/zinc/29/89/49/221298949.db2.gz ALISWQVMAQJIRY-HNNXBMFYSA-N 0 0 384.439 4.636 50 0 GJAARN CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(C)o2)c1 ZINC000014140672 221301090 /nfs/dbraw/zinc/30/10/90/221301090.db2.gz YMGQYHWBKSVYPS-QFIPXVFZSA-N 0 0 376.456 4.602 50 0 GJAARN Cc1ccc(CN(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)o1 ZINC000014239187 221306052 /nfs/dbraw/zinc/30/60/52/221306052.db2.gz PJBYAPSHJPOZFE-ACCUITESSA-N 0 0 398.466 4.508 50 0 GJAARN O=C(Nc1cccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1)C1CC1 ZINC000014249360 221307122 /nfs/dbraw/zinc/30/71/22/221307122.db2.gz RFJRGFSRVSIAPW-UHFFFAOYSA-N 0 0 378.453 4.597 50 0 GJAARN COc1ccc(C(=O)C2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000014325984 221308125 /nfs/dbraw/zinc/30/81/25/221308125.db2.gz QKHISVNIVWIBQF-UHFFFAOYSA-N 0 0 388.305 4.553 50 0 GJAARN O=C(c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1)N1CCCCCC1 ZINC000014609424 221313056 /nfs/dbraw/zinc/31/30/56/221313056.db2.gz MKJUJIAQOKBSAU-UHFFFAOYSA-N 0 0 380.879 4.604 50 0 GJAARN COc1ccc(OCCC(=O)OCc2cc3ccc(C)cc3nc2Cl)cc1 ZINC000015223129 221333880 /nfs/dbraw/zinc/33/38/80/221333880.db2.gz PBSLMMBLLRFVHX-UHFFFAOYSA-N 0 0 385.847 4.718 50 0 GJAARN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCCc2ccccc21 ZINC000015349984 221335267 /nfs/dbraw/zinc/33/52/67/221335267.db2.gz AFVOCWHADXMDEG-ZIAGYGMSSA-N 0 0 379.529 4.623 50 0 GJAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(CCC)c(C)s2)cc1 ZINC000015355024 221335274 /nfs/dbraw/zinc/33/52/74/221335274.db2.gz HEISNAHWPWXTMQ-UHFFFAOYSA-N 0 0 387.501 4.787 50 0 GJAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 ZINC000015445345 221335880 /nfs/dbraw/zinc/33/58/80/221335880.db2.gz SNAUOCRGOPUOJO-UHFFFAOYSA-N 0 0 397.544 4.756 50 0 GJAARN CCc1ccc(C(=O)CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000015474563 221336607 /nfs/dbraw/zinc/33/66/07/221336607.db2.gz BPDLQRLQIPQMDP-UHFFFAOYSA-N 0 0 375.852 4.521 50 0 GJAARN Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@H](c3ccccc3)C2=O)cc1 ZINC000015413297 221336638 /nfs/dbraw/zinc/33/66/38/221336638.db2.gz BTEMULDQTAKHHP-XMMPIXPASA-N 0 0 384.479 4.733 50 0 GJAARN COc1cc(OC)c(C[C@@H]2c3ccccc3N(c3ccccc3)C2=O)c(OC)c1 ZINC000015018278 221326940 /nfs/dbraw/zinc/32/69/40/221326940.db2.gz AGHCPQBDKIYNCR-LJQANCHMSA-N 0 0 389.451 4.717 50 0 GJAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccncc4)CC3)cc2)c1 ZINC000015071513 221330966 /nfs/dbraw/zinc/33/09/66/221330966.db2.gz WNIZTYAGGYNFCV-UHFFFAOYSA-N 0 0 399.494 4.548 50 0 GJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccccn2)nc2ccccc21 ZINC000015616332 221337928 /nfs/dbraw/zinc/33/79/28/221337928.db2.gz PQJUQBZABSMIKR-UHFFFAOYSA-N 0 0 392.462 4.751 50 0 biogenic GJAARN COc1cccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)c1 ZINC000015679836 221340188 /nfs/dbraw/zinc/34/01/88/221340188.db2.gz RXWJQJNCLBCQFC-UHFFFAOYSA-N 0 0 379.460 4.920 50 0 GJAARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NC1CCCCCC1 ZINC000015720973 221341787 /nfs/dbraw/zinc/34/17/87/221341787.db2.gz AGFQYAIBNMOPJY-JOCHJYFZSA-N 0 0 394.490 4.752 50 0 GJAARN CCCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)c1 ZINC000015838810 221347023 /nfs/dbraw/zinc/34/70/23/221347023.db2.gz HUPFMJVAHZPJSU-UHFFFAOYSA-N 0 0 393.439 4.580 50 0 GJAARN Cc1cc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)ccc1Cl ZINC000015832358 221347237 /nfs/dbraw/zinc/34/72/37/221347237.db2.gz PQTAIYMMLRPWRB-CQSZACIVSA-N 0 0 386.904 4.856 50 0 GJAARN CCc1ccc(-n2c3c(c(SCc4ccccc4C)nc2=O)CCC3)cc1 ZINC000015840518 221347899 /nfs/dbraw/zinc/34/78/99/221347899.db2.gz OBFBQQNAOZNMKC-UHFFFAOYSA-N 0 0 376.525 4.884 50 0 GJAARN CC(C)c1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3nnnc3N2)cc1 ZINC000015866415 221349850 /nfs/dbraw/zinc/34/98/50/221349850.db2.gz VDNUDWUCRPUUSN-ZWKOTPCHSA-N 0 0 398.308 4.705 50 0 GJAARN Cn1c(SCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 ZINC000015867242 221350404 /nfs/dbraw/zinc/35/04/04/221350404.db2.gz CCMSSCGVNUXSPA-UHFFFAOYSA-N 0 0 387.892 4.589 50 0 GJAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)c(C)c1 ZINC000015880585 221351377 /nfs/dbraw/zinc/35/13/77/221351377.db2.gz MNJHNWLAFWLERA-UHFFFAOYSA-N 0 0 380.473 4.585 50 0 GJAARN NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cccc2ccccc21 ZINC000015931399 221352660 /nfs/dbraw/zinc/35/26/60/221352660.db2.gz YZAVMXQBVURDIO-ATJXCDBQSA-N 0 0 393.240 4.680 50 0 GJAARN O=C(NCCOc1ccc2ccccc2c1)c1cc(F)ccc1Br ZINC000016142367 221358188 /nfs/dbraw/zinc/35/81/88/221358188.db2.gz SDRKCDZQXSKJEG-UHFFFAOYSA-N 0 0 388.236 4.550 50 0 GJAARN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)s2)cc1 ZINC000016141672 221359289 /nfs/dbraw/zinc/35/92/89/221359289.db2.gz WXGWPXHECPSYGH-CQSZACIVSA-N 0 0 380.307 4.887 50 0 GJAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1 ZINC000016227009 221359686 /nfs/dbraw/zinc/35/96/86/221359686.db2.gz UVVLVYNZFRGUGY-UHFFFAOYSA-N 0 0 390.464 4.989 50 0 GJAARN CCCCC/[S@](C[C@@H]1CC1(Cl)Cl)=N\S(=O)(=O)c1ccc(C)cc1 ZINC000015962894 221353494 /nfs/dbraw/zinc/35/34/94/221353494.db2.gz KLCZTZGOIQCPOB-FPTDNZKUSA-N 0 0 396.405 4.870 50 0 GJAARN Cc1nonc1[C@H]1CCCN1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000015962198 221353605 /nfs/dbraw/zinc/35/36/05/221353605.db2.gz USZJGQIGUVISAW-OAQYLSRUSA-N 0 0 385.471 4.772 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1c(F)cccc1F ZINC000017178181 221380648 /nfs/dbraw/zinc/38/06/48/221380648.db2.gz XBHDRUWWRIXVQX-UHFFFAOYSA-N 0 0 392.405 4.810 50 0 GJAARN CCOc1ccc(N2CCn3c(SCc4cccc(Cl)c4)nnc32)cc1 ZINC000017307792 221382735 /nfs/dbraw/zinc/38/27/35/221382735.db2.gz ICXIZCWPHLUPPK-UHFFFAOYSA-N 0 0 386.908 4.774 50 0 GJAARN O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)Nc1ccc(-c2nccs2)cc1 ZINC000017590625 221384874 /nfs/dbraw/zinc/38/48/74/221384874.db2.gz CJCPVEWAWSJDHV-LZCJLJQNSA-N 0 0 384.844 4.844 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1F ZINC000016778719 221370527 /nfs/dbraw/zinc/37/05/27/221370527.db2.gz BCEQWFKFUOVKKN-CQSZACIVSA-N 0 0 398.297 4.565 50 0 GJAARN CC[C@H]1c2ccsc2CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 ZINC000016779194 221370802 /nfs/dbraw/zinc/37/08/02/221370802.db2.gz ZDZWGFWNUUXFQD-ROUUACIJSA-N 0 0 390.936 4.505 50 0 GJAARN CC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000016965867 221374440 /nfs/dbraw/zinc/37/44/40/221374440.db2.gz BHZPDKSCOGRSMZ-UHFFFAOYSA-N 0 0 383.317 4.951 50 0 GJAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000016971448 221374667 /nfs/dbraw/zinc/37/46/67/221374667.db2.gz TUVXUEMDGLCETQ-UHFFFAOYSA-N 0 0 382.262 4.611 50 0 GJAARN CC(C)c1ccc(CN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017080911 221378272 /nfs/dbraw/zinc/37/82/72/221378272.db2.gz KLLRWYJHYWNKNY-UHFFFAOYSA-N 0 0 395.591 4.606 50 0 GJAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3cc(Cl)cn3)n2)cc1 ZINC000017080730 221378781 /nfs/dbraw/zinc/37/87/81/221378781.db2.gz FNJCHJYCVBOFJT-UHFFFAOYSA-N 0 0 394.862 4.590 50 0 GJAARN CCc1cc(C(=O)OC)c(NC(=S)Nc2cc(C(C)(C)C)ccc2O)s1 ZINC000017080261 221378971 /nfs/dbraw/zinc/37/89/71/221378971.db2.gz XORYBHDRJSCJQK-UHFFFAOYSA-N 0 0 392.546 4.909 50 0 GJAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000017823024 221385449 /nfs/dbraw/zinc/38/54/49/221385449.db2.gz PUKUKRSJLWIPPS-LJQANCHMSA-N 0 0 399.494 4.921 50 0 GJAARN C[C@@H](CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1 ZINC000018030537 221385870 /nfs/dbraw/zinc/38/58/70/221385870.db2.gz BZKTYZWUZLSIMQ-WMPMRBLUSA-N 0 0 393.486 4.682 50 0 GJAARN C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(-n2ccnc2)cc1 ZINC000018047667 221386086 /nfs/dbraw/zinc/38/60/86/221386086.db2.gz RWJZZVHOMMDKSD-INIZCTEOSA-N 0 0 384.483 4.723 50 0 GJAARN Cc1cc(C)c(NC=C2C(=O)N(c3nccs3)C(=O)c3ccccc32)c(C)c1 ZINC000018023271 221386465 /nfs/dbraw/zinc/38/64/65/221386465.db2.gz MHOFLXWPJPDDPS-LDADJPATSA-N 0 0 389.480 4.708 50 0 aggregator GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000018117976 221387200 /nfs/dbraw/zinc/38/72/00/221387200.db2.gz AFIRAKPNKYBKJQ-UHFFFAOYSA-N 0 0 388.876 4.686 50 0 GJAARN O=C1[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000018243775 221391881 /nfs/dbraw/zinc/39/18/81/221391881.db2.gz CEDCQJIFBBYFNV-JCGIZDLHSA-N 0 0 384.273 4.522 50 0 GJAARN Nc1nc(COC(=O)/C=C/c2ccc(-c3ccccc3)s2)nc2ccccc12 ZINC000018342678 221392481 /nfs/dbraw/zinc/39/24/81/221392481.db2.gz ZZTUISFDLXDWBU-ACCUITESSA-N 0 0 387.464 4.697 50 0 GJAARN O=C(Nc1cccc2c1CCC2)c1ccc([C@@H]2CCCN2C(=O)C2CC2)s1 ZINC000019812572 221455977 /nfs/dbraw/zinc/45/59/77/221455977.db2.gz WXOGTUNVVBZFMD-SFHVURJKSA-N 0 0 380.513 4.563 50 0 GJAARN CC[C@H](C(=O)Nc1ccc(C)cc1C)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000020095648 221471452 /nfs/dbraw/zinc/47/14/52/221471452.db2.gz CVLJQLRSZYWUFO-JOCHJYFZSA-N 0 0 389.499 4.734 50 0 GJAARN O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCCCCC1 ZINC000020381045 221483966 /nfs/dbraw/zinc/48/39/66/221483966.db2.gz LAGYOWGZBQCNOG-UHFFFAOYSA-N 0 0 384.476 4.587 50 0 GJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(Cc2ccc(F)cc2)CO1 ZINC000020389251 221484611 /nfs/dbraw/zinc/48/46/11/221484611.db2.gz OWUIXMLPAKWLIU-UHFFFAOYSA-N 0 0 387.838 4.890 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020533975 221498113 /nfs/dbraw/zinc/49/81/13/221498113.db2.gz DEGKUEPIBVSPID-UHFFFAOYSA-N 0 0 397.881 4.982 50 0 GJAARN O=C(Nc1ccccc1Oc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000040099140 132395580 /nfs/dbraw/zinc/39/55/80/132395580.db2.gz IONKHIYNWLBUJG-UHFFFAOYSA-N 0 0 389.455 4.539 50 0 GJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCCCC3)[C@H]2c2cccs2)cc1 ZINC000058402604 136155359 /nfs/dbraw/zinc/15/53/59/136155359.db2.gz QMOYPUUJNDIFIK-UGKGYDQZSA-N 0 0 396.556 4.943 50 0 GJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCCCC3)[C@@H]2c2cccs2)cc1 ZINC000058402607 136155411 /nfs/dbraw/zinc/15/54/11/136155411.db2.gz QMOYPUUJNDIFIK-SIKLNZKXSA-N 0 0 396.556 4.943 50 0 GJAARN Cc1ccc2c(c1)OC[C@@H](CC(=O)NC1CCCCC1)N2Cc1ccccc1 ZINC000064663641 136157313 /nfs/dbraw/zinc/15/73/13/136157313.db2.gz CCVFPVSKYZLWTC-OAQYLSRUSA-N 0 0 378.516 4.602 50 0 GJAARN Cc1nc(-c2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2)cs1 ZINC000064677361 136157499 /nfs/dbraw/zinc/15/74/99/136157499.db2.gz VUBUIRSNCFAHAS-UHFFFAOYSA-N 0 0 391.540 4.698 50 0 GJAARN Cc1ccc(-c2cc(N3CCC(C(=O)Nc4cccc(C)c4)CC3)ncn2)cc1 ZINC000064872811 136158103 /nfs/dbraw/zinc/15/81/03/136158103.db2.gz WJCFXKBJKOVOPC-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)c3cccnc32)cc1 ZINC000064929691 136158193 /nfs/dbraw/zinc/15/81/93/136158193.db2.gz XEQAWYDLEYRCRC-UHFFFAOYSA-N 0 0 377.875 4.710 50 0 GJAARN O=C(NCCC1=CCCCC1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000064989368 136158419 /nfs/dbraw/zinc/15/84/19/136158419.db2.gz GOQCXYHVUGFADL-UHFFFAOYSA-N 0 0 390.531 4.754 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)c(C)c1 ZINC000065023915 136158707 /nfs/dbraw/zinc/15/87/07/136158707.db2.gz NKNKNSVMWHIXGS-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccc(-c2csc3ncnc(N4CCC[C@H](c5cc[nH]n5)C4)c23)cc1 ZINC000071811750 136166767 /nfs/dbraw/zinc/16/67/67/136166767.db2.gz HRFFRHILYXISHK-INIZCTEOSA-N 0 0 375.501 4.774 50 0 GJAARN O=C(c1cccnc1N1CCC[C@@H](CCc2ccccc2)C1)N1CCCCC1 ZINC000072432828 136170388 /nfs/dbraw/zinc/17/03/88/136170388.db2.gz ZZSPISZJWQOOMC-NRFANRHFSA-N 0 0 377.532 4.557 50 0 GJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCSc4ccncc43)cc12 ZINC000079055776 136172932 /nfs/dbraw/zinc/17/29/32/136172932.db2.gz DKKAYUQXAYFBGP-UHFFFAOYSA-N 0 0 392.509 4.543 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3cc4ccc5ccc(C)nc5c4[nH]3)C[C@@H]2C)c1 ZINC000085577740 136175245 /nfs/dbraw/zinc/17/52/45/136175245.db2.gz RULTULZPVVIQNG-SFHVURJKSA-N 0 0 398.510 4.684 50 0 GJAARN Fc1ccc2ccnc(N3CCO[C@H](c4ccc(Br)cc4)C3)c2c1 ZINC000089780931 136175633 /nfs/dbraw/zinc/17/56/33/136175633.db2.gz YRMAHTUNPUKBTO-SFHVURJKSA-N 0 0 387.252 4.714 50 0 GJAARN FC(F)(F)c1cccc(Br)c1N1CCN(Cc2ccccc2)CC1 ZINC000095080908 136177692 /nfs/dbraw/zinc/17/76/92/136177692.db2.gz DOVBEKDWOREDKI-UHFFFAOYSA-N 0 0 399.254 4.790 50 0 GJAARN CO[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000096122448 136183828 /nfs/dbraw/zinc/18/38/28/136183828.db2.gz NTKSCMBUKHKQKY-GOSISDBHSA-N 0 0 378.394 4.573 50 0 GJAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2ccc(C)c(C)c2)C1=O ZINC000102996412 136190581 /nfs/dbraw/zinc/19/05/81/136190581.db2.gz AXDQPQBLBQIMOW-QNGOZBTKSA-N 0 0 398.462 4.952 50 0 GJAARN CC(C)C(=O)N1CCCc2cc(NC(=O)Cc3cccc4ccccc43)ccc21 ZINC000005099479 136194470 /nfs/dbraw/zinc/19/44/70/136194470.db2.gz YYMFVSSYMBETIY-UHFFFAOYSA-N 0 0 386.495 4.956 50 0 GJAARN Cc1nc(S[C@H](C)C(=O)N2CCCc3ccccc32)[nH]c1Cc1ccccc1 ZINC000008724979 136195574 /nfs/dbraw/zinc/19/55/74/136195574.db2.gz UMTVISIOTVVUTD-QGZVFWFLSA-N 0 0 391.540 4.769 50 0 GJAARN CC(C)c1ccc([C@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@H](C)C4)nc3C2)cc1 ZINC000169682688 136197538 /nfs/dbraw/zinc/19/75/38/136197538.db2.gz IKWWYWAQMYAQTI-FUHIMQAGSA-N 0 0 377.532 4.995 50 0 GJAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000012567151 136200447 /nfs/dbraw/zinc/20/04/47/136200447.db2.gz OIXJFPOPCQUNDV-UHFFFAOYSA-N 0 0 391.515 4.836 50 0 GJAARN O=C(CN1CCCc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000022056844 136203455 /nfs/dbraw/zinc/20/34/55/136203455.db2.gz DVOLGRPXZYTDCC-JOCHJYFZSA-N 0 0 394.565 4.737 50 0 GJAARN O=C(Cc1c(Cl)cccc1Cl)NCc1ncc(C(F)(F)F)cc1Cl ZINC000263639638 209083154 /nfs/dbraw/zinc/08/31/54/209083154.db2.gz BMNSISWLQZVBGG-UHFFFAOYSA-N 0 0 397.611 4.920 50 0 GJAARN CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1nc(-c2ccc(C)cc2)ccc1=O ZINC000021783864 221542194 /nfs/dbraw/zinc/54/21/94/221542194.db2.gz RVSLYEQEQKFICT-LJQANCHMSA-N 0 0 399.853 4.601 50 0 GJAARN O=C(NCCc1cccs1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000021934915 221547580 /nfs/dbraw/zinc/54/75/80/221547580.db2.gz BMZWMQRBFWQZRF-UHFFFAOYSA-N 0 0 393.899 4.984 50 0 GJAARN O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000023054910 221579770 /nfs/dbraw/zinc/57/97/70/221579770.db2.gz ZFDARWGDVMDZKG-QWHCGFSZSA-N 0 0 396.434 4.851 50 0 GJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccc(F)c3)s2)cc1 ZINC000024716204 221616493 /nfs/dbraw/zinc/61/64/93/221616493.db2.gz DILRCLDWYHIPGD-YBEGLDIGSA-N 0 0 387.867 4.653 50 0 GJAARN COc1ccc(Cl)cc1C(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000025093743 221625899 /nfs/dbraw/zinc/62/58/99/221625899.db2.gz KRCZYOIGTYCBCT-UHFFFAOYSA-N 0 0 394.696 4.916 50 0 GJAARN CC(C)(C)C(=O)N1CCC(C(=O)OCc2ccc(-c3ccccc3)cc2)CC1 ZINC000026016510 221634748 /nfs/dbraw/zinc/63/47/48/221634748.db2.gz FRBQUABWAFVHEH-UHFFFAOYSA-N 0 0 379.500 4.682 50 0 GJAARN CCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Br)cc1 ZINC000027757243 221659533 /nfs/dbraw/zinc/65/95/33/221659533.db2.gz KEDRUJWLYUYXPE-UHFFFAOYSA-N 0 0 388.290 4.782 50 0 GJAARN Cc1ccc(CSc2nc(=O)n(CCc3ccccc3)c3c2CCC3)cc1 ZINC000028288337 221673369 /nfs/dbraw/zinc/67/33/69/221673369.db2.gz QLJVICPIXBAKIP-UHFFFAOYSA-N 0 0 376.525 4.575 50 0 GJAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 ZINC000032609550 221723542 /nfs/dbraw/zinc/72/35/42/221723542.db2.gz LFHDNQDRBHBSBE-QFIPXVFZSA-N 0 0 381.431 4.847 50 0 GJAARN Cc1ccc(Cn2nccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000032593751 221724169 /nfs/dbraw/zinc/72/41/69/221724169.db2.gz FZLZOXFEJIWYQC-UHFFFAOYSA-N 0 0 383.879 4.528 50 0 GJAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccccc2)on1 ZINC000032593954 221724369 /nfs/dbraw/zinc/72/43/69/221724369.db2.gz FRSYHUKQCZXNDL-HXUWFJFHSA-N 0 0 395.890 4.562 50 0 GJAARN Cc1nc2ccccc2n(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1=O ZINC000032741466 221731524 /nfs/dbraw/zinc/73/15/24/221731524.db2.gz RQRPGPIQYQHZRB-UHFFFAOYSA-N 0 0 377.488 4.590 50 0 GJAARN COc1ccc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1OC ZINC000032845938 221741334 /nfs/dbraw/zinc/74/13/34/221741334.db2.gz WVRFCOGYBDPPJQ-HSZRJFAPSA-N 0 0 387.435 4.969 50 0 GJAARN CCOC(=O)c1nc(CSc2nn(-c3ccccc3)c(=S)s2)cs1 ZINC000032912840 221748104 /nfs/dbraw/zinc/74/81/04/221748104.db2.gz YRGPUYLZNIKPMA-UHFFFAOYSA-N 0 0 395.556 4.589 50 0 GJAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2ccccc2F)cc1 ZINC000032950949 221754764 /nfs/dbraw/zinc/75/47/64/221754764.db2.gz KYQYVIBATSHRGD-UHFFFAOYSA-N 0 0 388.446 4.973 50 0 GJAARN CCOc1ccc(Nc2nc(N)c(C(=O)c3c(C)[nH]c4ccccc43)s2)cc1 ZINC000032947374 221755552 /nfs/dbraw/zinc/75/55/52/221755552.db2.gz LITZDJXIYKQQJL-UHFFFAOYSA-N 0 0 392.484 4.888 50 0 GJAARN CCSc1nc2n(n1)[C@@H](CC(C)C)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000033085406 221770626 /nfs/dbraw/zinc/77/06/26/221770626.db2.gz QUJSEVYRTZRFNX-INIZCTEOSA-N 0 0 385.537 4.624 50 0 GJAARN COc1ccc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c(OC)c1 ZINC000033255384 221779021 /nfs/dbraw/zinc/77/90/21/221779021.db2.gz SVFQXVNKGPOQDE-UHFFFAOYSA-N 0 0 379.460 4.657 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1C ZINC000033312622 221786039 /nfs/dbraw/zinc/78/60/39/221786039.db2.gz TULLRXRNLASFTP-CYBMUJFWSA-N 0 0 380.517 4.797 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(C)ccc3OC=C2)cc1 ZINC000033321275 221787247 /nfs/dbraw/zinc/78/72/47/221787247.db2.gz DEBBOXHJYHOLNI-UHFFFAOYSA-N 0 0 377.440 4.880 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C\c2cccs2)sc2c1CC[C@H](C)C2 ZINC000033432002 221791133 /nfs/dbraw/zinc/79/11/33/221791133.db2.gz ZBAMFCQKMLMPSD-UPZNUWHASA-N 0 0 375.515 4.763 50 0 GJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000033736046 221795199 /nfs/dbraw/zinc/79/51/99/221795199.db2.gz YFPUSQWMIVCWJX-IBGZPJMESA-N 0 0 392.459 4.731 50 0 GJAARN COc1ccccc1-c1n[nH]c(CC(C)C)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034796353 221804545 /nfs/dbraw/zinc/80/45/45/221804545.db2.gz XQOVQYQXCGWAPE-UHFFFAOYSA-N 0 0 385.414 4.814 50 0 GJAARN COc1ccc(-c2nc3ccccn3c2NC(=O)CSc2ccccc2)cc1 ZINC000034912732 221810008 /nfs/dbraw/zinc/81/00/08/221810008.db2.gz JRLPUSJXYRYNAY-UHFFFAOYSA-N 0 0 389.480 4.741 50 0 GJAARN Cc1cccc(-c2ncc(C(=O)NCC(C)C)c(N(C)C3CCCCC3)n2)c1 ZINC000035988710 221836893 /nfs/dbraw/zinc/83/68/93/221836893.db2.gz FUMBOMZLWYSKMV-UHFFFAOYSA-N 0 0 380.536 4.607 50 0 GJAARN CC(C)N(C)c1onc(-c2ccccc2)c1CN(Cc1ccco1)C(=O)C1CC1 ZINC000036245949 221847842 /nfs/dbraw/zinc/84/78/42/221847842.db2.gz RRQPDUQDRBMVIN-UHFFFAOYSA-N 0 0 393.487 4.718 50 0 GJAARN Cc1cc2nc(Cc3ccccc3Cl)n(CCC(=O)NC(C)C)c2cc1C ZINC000037397641 221869262 /nfs/dbraw/zinc/86/92/62/221869262.db2.gz BSRQLUUAMORVMO-UHFFFAOYSA-N 0 0 383.923 4.812 50 0 GJAARN C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000039978455 221893841 /nfs/dbraw/zinc/89/38/41/221893841.db2.gz AJTASFOCYKQYNE-LBPRGKRZSA-N 0 0 384.328 4.912 50 0 GJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)NCCSCc3ccco3)c12 ZINC000040023337 221897230 /nfs/dbraw/zinc/89/72/30/221897230.db2.gz GMBTWFKZOCSCMU-UHFFFAOYSA-N 0 0 399.497 4.516 50 0 GJAARN Cc1nnc(NC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccco2)CC3)s1 ZINC000040073569 221901457 /nfs/dbraw/zinc/90/14/57/221901457.db2.gz XPGSLRDLPPRULZ-ACCUITESSA-N 0 0 388.452 4.727 50 0 GJAARN Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)s1 ZINC000040080942 221901634 /nfs/dbraw/zinc/90/16/34/221901634.db2.gz NFCNHIQMJYBXNL-GJZGRUSLSA-N 0 0 386.561 4.658 50 0 GJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000040110557 221906494 /nfs/dbraw/zinc/90/64/94/221906494.db2.gz JHHMGAIMKTXFEG-UHFFFAOYSA-N 0 0 398.894 4.618 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000040131326 221910560 /nfs/dbraw/zinc/91/05/60/221910560.db2.gz JIDUMLLIZDOUPL-UHFFFAOYSA-N 0 0 395.453 4.501 50 0 GJAARN O=C1C[C@H](c2cccc(O)c2)c2ncn(-c3ccc(OC(F)(F)F)cc3)c2N1 ZINC000040268125 221917452 /nfs/dbraw/zinc/91/74/52/221917452.db2.gz QLJGLZVCMHLDEU-OAHLLOKOSA-N 0 0 389.333 4.600 50 0 GJAARN CC(C)(C)c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)o1 ZINC000042570425 221943836 /nfs/dbraw/zinc/94/38/36/221943836.db2.gz NTBCQDBENMWHKW-UHFFFAOYSA-N 0 0 393.512 4.923 50 0 GJAARN COc1cc(CNC(=O)N2CCC[C@@H]2c2cccc3ccccc32)ccc1O ZINC000056607718 222026152 /nfs/dbraw/zinc/02/61/52/222026152.db2.gz ZRPWEGDAZZUZKA-HXUWFJFHSA-N 0 0 376.456 4.601 50 0 GJAARN O=C(NC1CC1)[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000057338246 222031019 /nfs/dbraw/zinc/03/10/19/222031019.db2.gz XIOOFUODGUWQJW-OAQYLSRUSA-N 0 0 380.875 4.710 50 0 GJAARN Cc1ccc(-c2noc(-c3cc4cc(Br)ccc4oc3=O)n2)cc1 ZINC000057354727 222032675 /nfs/dbraw/zinc/03/26/75/222032675.db2.gz PHCOEZTVPGZQTJ-UHFFFAOYSA-N 0 0 383.201 4.581 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000057477009 222033870 /nfs/dbraw/zinc/03/38/70/222033870.db2.gz UKIKUTBIWQZXPW-UHFFFAOYSA-N 0 0 382.261 4.580 50 0 GJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000045928084 221966187 /nfs/dbraw/zinc/96/61/87/221966187.db2.gz VAGNVXGLSKCMKM-JOCHJYFZSA-N 0 0 389.426 4.887 50 0 GJAARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cncc(Br)c1 ZINC000057510822 222034708 /nfs/dbraw/zinc/03/47/08/222034708.db2.gz CICJFTAUCHJZTK-UHFFFAOYSA-N 0 0 393.244 4.640 50 0 GJAARN Cc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 ZINC000050011500 222002617 /nfs/dbraw/zinc/00/26/17/222002617.db2.gz CNDKOWAROTUXSG-RWEWTDSWSA-N 0 0 385.423 4.627 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)Nc3cc(OCC)ccc3OCC)n[nH]2)cc1 ZINC000051315428 222004601 /nfs/dbraw/zinc/00/46/01/222004601.db2.gz WXRRRHUFXVJUBH-UHFFFAOYSA-N 0 0 395.459 4.525 50 0 GJAARN COc1ccc(-c2csc3ncnc(NCc4ccc(OC)c(O)c4)c23)cc1 ZINC000052212369 222006479 /nfs/dbraw/zinc/00/64/79/222006479.db2.gz UYYOWLZIDHXHNF-UHFFFAOYSA-N 0 0 393.468 4.693 50 0 GJAARN O=C(Nc1cc(F)ccc1Cl)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364529 222006534 /nfs/dbraw/zinc/00/65/34/222006534.db2.gz WOVZIRSHDGVHQV-HNNXBMFYSA-N 0 0 382.822 4.638 50 0 GJAARN CC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(C)c1 ZINC000052989240 222008052 /nfs/dbraw/zinc/00/80/52/222008052.db2.gz SCIVSAWLFKGYIA-UHFFFAOYSA-N 0 0 378.272 4.518 50 0 GJAARN Cc1cc(NC(=O)[C@H](Sc2ccc3c(c2)OCCCO3)c2ccccc2)no1 ZINC000053224082 222008179 /nfs/dbraw/zinc/00/81/79/222008179.db2.gz GGSPLERQNQNZMY-HXUWFJFHSA-N 0 0 396.468 4.616 50 0 GJAARN Cc1ccc(C)c(-n2cc(CN(C)Cc3ccncn3)c(-c3ccccc3)n2)c1 ZINC000055120346 222016682 /nfs/dbraw/zinc/01/66/82/222016682.db2.gz LQKCXFUHGSUWPB-UHFFFAOYSA-N 0 0 383.499 4.578 50 0 GJAARN Cc1cccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)c1C ZINC000055543169 222022741 /nfs/dbraw/zinc/02/27/41/222022741.db2.gz IFAFRCPRPVTOGJ-UHFFFAOYSA-N 0 0 377.301 4.527 50 0 GJAARN Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)c1snnc1C(C)C ZINC000055575884 222022845 /nfs/dbraw/zinc/02/28/45/222022845.db2.gz URZVPUIYCLWMHJ-UHFFFAOYSA-N 0 0 394.500 4.783 50 0 GJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)no1 ZINC000064984727 222092794 /nfs/dbraw/zinc/09/27/94/222092794.db2.gz MDQKDRSBXGGVEI-INIZCTEOSA-N 0 0 378.270 4.759 50 0 GJAARN CCCOc1ccc(OC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)cc1 ZINC000064977267 222092828 /nfs/dbraw/zinc/09/28/28/222092828.db2.gz JKOVWPMHXYTKDN-UHFFFAOYSA-N 0 0 379.456 4.666 50 0 GJAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000064990313 222093309 /nfs/dbraw/zinc/09/33/09/222093309.db2.gz JFZCARRMIVFKRB-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN C[C@@H]1Cc2ccc(CNC(=O)CCc3ccccc3)cc2N1C(=O)c1ccccc1 ZINC000064989885 222093497 /nfs/dbraw/zinc/09/34/97/222093497.db2.gz HESNOOZLSJLKHF-LJQANCHMSA-N 0 0 398.506 4.527 50 0 GJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC000065025466 222095466 /nfs/dbraw/zinc/09/54/66/222095466.db2.gz LQQLHBWITNZDOA-QHCPKHFHSA-N 0 0 398.510 4.551 50 0 GJAARN Cc1ccc(Cn2nnc3cc(C(=O)Nc4ccccc4Cl)ccc32)cc1 ZINC000065030459 222095817 /nfs/dbraw/zinc/09/58/17/222095817.db2.gz QWMMLGVAPSYWIR-UHFFFAOYSA-N 0 0 376.847 4.694 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)c(C)c1 ZINC000065031451 222096498 /nfs/dbraw/zinc/09/64/98/222096498.db2.gz KOXMIWXBDDKGET-UHFFFAOYSA-N 0 0 383.451 4.931 50 0 GJAARN Cc1ccc(-c2nc(-c3ccc(C(=O)NCc4ccccc4F)s3)no2)cc1 ZINC000065062962 222097709 /nfs/dbraw/zinc/09/77/09/222097709.db2.gz ALYJNXCWLFENRR-UHFFFAOYSA-N 0 0 393.443 4.843 50 0 GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000065084239 222099170 /nfs/dbraw/zinc/09/91/70/222099170.db2.gz YYANJNLFMGGIQP-UHFFFAOYSA-N 0 0 386.373 4.685 50 0 GJAARN O=C(Nc1ccc(F)cc1Cl)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065085120 222099532 /nfs/dbraw/zinc/09/95/32/222099532.db2.gz ZYUPZMXENPWGLZ-UHFFFAOYSA-N 0 0 395.864 4.626 50 0 GJAARN CCN1c2cc(C(=O)NC3CCCCCC3)ccc2Oc2ccccc2C1=O ZINC000065115693 222102245 /nfs/dbraw/zinc/10/22/45/222102245.db2.gz YNJOHKGTUIUICU-UHFFFAOYSA-N 0 0 378.472 4.912 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2ccc(F)cc2)n1 ZINC000065114541 222102579 /nfs/dbraw/zinc/10/25/79/222102579.db2.gz QZHLAVJFLBCKFF-CQSZACIVSA-N 0 0 378.451 4.693 50 0 GJAARN C[C@H](NC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000065136341 222103505 /nfs/dbraw/zinc/10/35/05/222103505.db2.gz PHXIJIKCABKRNQ-ROUUACIJSA-N 0 0 397.494 4.727 50 0 GJAARN Cc1cccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccccc4F)C3)n2)c1 ZINC000065148026 222103565 /nfs/dbraw/zinc/10/35/65/222103565.db2.gz JJQZCEYSEXXVKS-KRWDZBQOSA-N 0 0 390.462 4.688 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccc4)n3)C2)s1 ZINC000065147840 222104096 /nfs/dbraw/zinc/10/40/96/222104096.db2.gz KIOQSZUOIBBTRZ-INIZCTEOSA-N 0 0 378.501 4.610 50 0 GJAARN O=C(NCc1cccnc1-c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000065171251 222105747 /nfs/dbraw/zinc/10/57/47/222105747.db2.gz SUEPRMDIWOHSDM-UHFFFAOYSA-N 0 0 385.236 4.580 50 0 GJAARN Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000065194919 222108285 /nfs/dbraw/zinc/10/82/85/222108285.db2.gz ICPHWNHLQBBOSO-UHFFFAOYSA-N 0 0 390.443 4.670 50 0 GJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1 ZINC000065194873 222108896 /nfs/dbraw/zinc/10/88/96/222108896.db2.gz OYSIALYAAHWIFX-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1ccsc1-c1nc(-c2ccccc2)no1 ZINC000065218779 222110818 /nfs/dbraw/zinc/11/08/18/222110818.db2.gz QEWDWICFQPCPBO-UHFFFAOYSA-N 0 0 379.416 4.785 50 0 GJAARN Fc1ccc(NC(=S)N2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000058096040 222038906 /nfs/dbraw/zinc/03/89/06/222038906.db2.gz QIFSRDMZXOJDHF-UHFFFAOYSA-N 0 0 398.334 4.995 50 0 GJAARN CCC[C@H]1CCCN(C(=O)CCn2c(=S)[nH]nc2-c2cccc(C)c2)CC1 ZINC000058115796 222039688 /nfs/dbraw/zinc/03/96/88/222039688.db2.gz UKBFKNJCFJIYDF-KRWDZBQOSA-N 0 0 386.565 4.735 50 0 GJAARN S=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ccccc2Cl)C1 ZINC000058096164 222040040 /nfs/dbraw/zinc/04/00/40/222040040.db2.gz AHFVGICBORHKSZ-UHFFFAOYSA-N 0 0 380.344 4.856 50 0 GJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1 ZINC000058179166 222044639 /nfs/dbraw/zinc/04/46/39/222044639.db2.gz TVHCUIMKZHEQCN-UHFFFAOYSA-N 0 0 389.455 4.523 50 0 GJAARN CCOC(=O)c1cc2cc(NC(=O)N(C)Cc3cnc(C)s3)ccc2s1 ZINC000058280128 222047117 /nfs/dbraw/zinc/04/71/17/222047117.db2.gz GQQMDXFMTLLSOH-UHFFFAOYSA-N 0 0 389.502 4.507 50 0 GJAARN Cc1cc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c2ccc(F)cc2n1 ZINC000058245066 222047428 /nfs/dbraw/zinc/04/74/28/222047428.db2.gz WXZLSQTUUIKNPX-UHFFFAOYSA-N 0 0 387.418 4.597 50 0 GJAARN COCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)c1ccccc1 ZINC000058298065 222049668 /nfs/dbraw/zinc/04/96/68/222049668.db2.gz CUFHDYCETLCCHF-AWEZNQCLSA-N 0 0 381.303 4.642 50 0 GJAARN CC(=O)N(C)Cc1cccc(NC(=O)[C@H](SCc2ccccc2)C(C)C)c1 ZINC000058297713 222049773 /nfs/dbraw/zinc/04/97/73/222049773.db2.gz MSKGKPZFYCPVFO-OAQYLSRUSA-N 0 0 384.545 4.561 50 0 GJAARN O=C(NCc1cccnc1OC1CCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000058414098 222051882 /nfs/dbraw/zinc/05/18/82/222051882.db2.gz XGVJCIWWYSLMIS-UHFFFAOYSA-N 0 0 387.842 4.607 50 0 GJAARN COc1ccccc1N1CC[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000058407595 222052969 /nfs/dbraw/zinc/05/29/69/222052969.db2.gz DFDRMHFZEGHEDI-LBPRGKRZSA-N 0 0 385.817 4.701 50 0 GJAARN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3c3nccs3)cn2)cc1C ZINC000058512425 222053758 /nfs/dbraw/zinc/05/37/58/222053758.db2.gz VMTKJZUFNYWOTL-SFHVURJKSA-N 0 0 394.500 4.555 50 0 GJAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1csc(-c2ccccn2)n1 ZINC000061620206 222061742 /nfs/dbraw/zinc/06/17/42/222061742.db2.gz RLBWNKKNHNMYKY-UHFFFAOYSA-N 0 0 378.501 4.838 50 0 GJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nc(C)cs2)cc1 ZINC000061720832 222062838 /nfs/dbraw/zinc/06/28/38/222062838.db2.gz FZODJBDYVFOCNW-UHFFFAOYSA-N 0 0 396.497 4.627 50 0 GJAARN COc1ccc2c(c1)S[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N2 ZINC000061720970 222063290 /nfs/dbraw/zinc/06/32/90/222063290.db2.gz DNJKNJVMZHUYPB-OAHLLOKOSA-N 0 0 396.390 4.805 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)no2)cc1 ZINC000061997094 222064185 /nfs/dbraw/zinc/06/41/85/222064185.db2.gz ILIVBEOJYUOPEU-UHFFFAOYSA-N 0 0 394.427 4.559 50 0 GJAARN FC(F)(F)c1cc(Br)cc(Br)c1Br ZINC000063360964 222067219 /nfs/dbraw/zinc/06/72/19/222067219.db2.gz AJKPMJZDKAYKNK-UHFFFAOYSA-N 0 0 382.799 4.993 50 0 GJAARN Cc1ncc(-c2cc(C(=O)N3CCCCCCC3)c3ccc(F)cc3n2)cn1 ZINC000063872225 222068740 /nfs/dbraw/zinc/06/87/40/222068740.db2.gz DNPBYGOMCKEGMW-UHFFFAOYSA-N 0 0 378.451 4.546 50 0 GJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CCCC4)nc3)cs2)c(C)c1 ZINC000064024475 222069145 /nfs/dbraw/zinc/06/91/45/222069145.db2.gz BMRSAGALECAIPE-UHFFFAOYSA-N 0 0 378.501 4.674 50 0 GJAARN Cc1cc(C)c2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCC[C@@H]1C ZINC000063870165 222069531 /nfs/dbraw/zinc/06/95/31/222069531.db2.gz FZLNICOZCBCBHR-KRWDZBQOSA-N 0 0 376.504 4.921 50 0 GJAARN Cc1cc(CN(C)C(=O)c2cc(-c3cnn(C(C)C)c3)nc3ccccc32)ccn1 ZINC000063868458 222069665 /nfs/dbraw/zinc/06/96/65/222069665.db2.gz AFRHZTNBMUHCFW-UHFFFAOYSA-N 0 0 399.498 4.655 50 0 GJAARN Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)c1nnc(C(C)C)n1C1CC1 ZINC000063872496 222069724 /nfs/dbraw/zinc/06/97/24/222069724.db2.gz LRQUJRPPXHRWAR-UHFFFAOYSA-N 0 0 389.565 4.625 50 0 GJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cccc(C)c5)n3n2)CCCC4)cc1 ZINC000064449947 222070271 /nfs/dbraw/zinc/07/02/71/222070271.db2.gz WKTAQMIFFLNAKY-UHFFFAOYSA-N 0 0 383.499 4.954 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)[C@H](C)n1c(=S)[nH]nc1-c1cccs1 ZINC000064335237 222070310 /nfs/dbraw/zinc/07/03/10/222070310.db2.gz QTUMFTAMUVYXMM-JTQLQIEISA-N 0 0 378.910 4.831 50 0 GJAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cn2cc(Cl)ccc2n1 ZINC000064398245 222071221 /nfs/dbraw/zinc/07/12/21/222071221.db2.gz UPODRTRTIHRCFM-UHFFFAOYSA-N 0 0 382.773 4.577 50 0 GJAARN COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccccc3)c2c1 ZINC000064474013 222072643 /nfs/dbraw/zinc/07/26/43/222072643.db2.gz APWJHBGLUNWEDO-UHFFFAOYSA-N 0 0 375.472 4.859 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCCc3ccccc3)cc12 ZINC000064567927 222075436 /nfs/dbraw/zinc/07/54/36/222075436.db2.gz RSLSMYHSUZFCPX-UHFFFAOYSA-N 0 0 393.487 4.897 50 0 GJAARN O=C(Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1)c1ccncc1 ZINC000064666741 222077734 /nfs/dbraw/zinc/07/77/34/222077734.db2.gz RKDFOMNVWCPXNG-UHFFFAOYSA-N 0 0 387.464 4.608 50 0 GJAARN COc1cccc(-c2nn(C)c3sc(C(=O)Oc4cccc(F)c4)cc23)c1 ZINC000064666372 222078292 /nfs/dbraw/zinc/07/82/92/222078292.db2.gz URHQNTCTOKVSJU-UHFFFAOYSA-N 0 0 382.416 4.669 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)NCc4ccc(F)cc4)csc3n2)cc1C ZINC000064676267 222079827 /nfs/dbraw/zinc/07/98/27/222079827.db2.gz YRKOLHYGRFFPLU-UHFFFAOYSA-N 0 0 393.487 4.678 50 0 GJAARN CC(C)Sc1nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1 ZINC000064747839 222080787 /nfs/dbraw/zinc/08/07/87/222080787.db2.gz BMLRIOGGUJXXOM-UHFFFAOYSA-N 0 0 378.544 4.739 50 0 GJAARN CCn1c(SCc2cccc(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064794258 222081589 /nfs/dbraw/zinc/08/15/89/222081589.db2.gz BZFNJIFSVDWNSW-UHFFFAOYSA-N 0 0 385.493 4.588 50 0 GJAARN CN(CCc1noc(C2CCCCC2)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064839736 222083451 /nfs/dbraw/zinc/08/34/51/222083451.db2.gz SJCZZIRAHPWIMT-UHFFFAOYSA-N 0 0 396.413 4.843 50 0 GJAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000064837461 222083987 /nfs/dbraw/zinc/08/39/87/222083987.db2.gz RCYMFVYTSIXHHI-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN Cc1ccccc1-c1noc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 ZINC000064818362 222084184 /nfs/dbraw/zinc/08/41/84/222084184.db2.gz MSPGNYXOIFJECW-UHFFFAOYSA-N 0 0 395.890 4.647 50 0 GJAARN O=C(c1cccc(F)c1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858497 222084678 /nfs/dbraw/zinc/08/46/78/222084678.db2.gz PFBYGRCMWZZFOX-UHFFFAOYSA-N 0 0 395.865 4.827 50 0 biogenic GJAARN COc1ccc(C[S@@](=O)Cc2coc(-c3ccccc3Cl)n2)cc1F ZINC000064841537 222084721 /nfs/dbraw/zinc/08/47/21/222084721.db2.gz GDYOEBAJPNRAIZ-VWLOTQADSA-N 0 0 379.840 4.592 50 0 GJAARN COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccccc3C)cs2)c1N ZINC000064948777 222088953 /nfs/dbraw/zinc/08/89/53/222088953.db2.gz XNCNYAWXBHKDAJ-UHFFFAOYSA-N 0 0 397.891 4.610 50 0 GJAARN CCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2ccccc21 ZINC000064960890 222090410 /nfs/dbraw/zinc/09/04/10/222090410.db2.gz IPKYRJIKMOULHR-UHFFFAOYSA-N 0 0 396.244 4.501 50 0 GJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccccc2Br)no1 ZINC000064984728 222092482 /nfs/dbraw/zinc/09/24/82/222092482.db2.gz MDQKDRSBXGGVEI-MRXNPFEDSA-N 0 0 378.270 4.759 50 0 GJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3Cl)c(C)c2)on1 ZINC000064979657 222092534 /nfs/dbraw/zinc/09/25/34/222092534.db2.gz XSWCZHUMBLQLFM-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN CCn1cc(-c2nc(C(=O)Nc3ccc(F)c(C)c3)cs2)c2cccnc21 ZINC000065241099 222114504 /nfs/dbraw/zinc/11/45/04/222114504.db2.gz ZVKKQTZAKYGFGS-UHFFFAOYSA-N 0 0 380.448 4.880 50 0 GJAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc(F)cc1 ZINC000065331406 222124149 /nfs/dbraw/zinc/12/41/49/222124149.db2.gz WCRSXQKJWPHCSG-SFHVURJKSA-N 0 0 379.435 4.664 50 0 GJAARN COc1cccc(F)c1-c1c(-c2ccccc2)ncn1[C@@H](C)c1cnn(C)c1 ZINC000065455044 222129770 /nfs/dbraw/zinc/12/97/70/222129770.db2.gz ONLRVEZRKCHVLO-HNNXBMFYSA-N 0 0 376.435 4.708 50 0 GJAARN O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F ZINC000067295491 222144021 /nfs/dbraw/zinc/14/40/21/222144021.db2.gz JCDRLQXSYDOMBO-DAFNUICNSA-N 0 0 396.805 4.981 50 0 GJAARN CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067298013 222144994 /nfs/dbraw/zinc/14/49/94/222144994.db2.gz UIWBCVCPVLHKRL-ATJXCDBQSA-N 0 0 391.452 4.642 50 0 GJAARN COc1ccc(-n2nnc(-c3nc(-c4ccc(C)cc4C)cs3)c2C)cc1 ZINC000067341653 222146439 /nfs/dbraw/zinc/14/64/39/222146439.db2.gz ZHASGTHZMQMPGL-UHFFFAOYSA-N 0 0 376.485 4.992 50 0 GJAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nc(-c3ccccc3)no1)CCO2 ZINC000067676891 222154619 /nfs/dbraw/zinc/15/46/19/222154619.db2.gz UIBKOWWDZDGQLD-UHFFFAOYSA-N 0 0 399.450 4.817 50 0 GJAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1nccn1C(C)C)CCO2 ZINC000067713267 222155593 /nfs/dbraw/zinc/15/55/93/222155593.db2.gz JQDLTIMQAFQSKB-UHFFFAOYSA-N 0 0 377.488 4.540 50 0 GJAARN O=C(c1ccc(-c2cccc(CO)c2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067757357 222157403 /nfs/dbraw/zinc/15/74/03/222157403.db2.gz NDOGZLHLAXIINA-NRFANRHFSA-N 0 0 386.495 4.651 50 0 GJAARN CN(C)[C@@H](CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1)c1ccco1 ZINC000069348887 222173622 /nfs/dbraw/zinc/17/36/22/222173622.db2.gz HTELROWGYBLYSZ-SFHVURJKSA-N 0 0 385.414 4.649 50 0 GJAARN C[C@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)CC1 ZINC000069323519 222173759 /nfs/dbraw/zinc/17/37/59/222173759.db2.gz DAMGNKRPORBFLW-HNNXBMFYSA-N 0 0 397.544 4.536 50 0 GJAARN CSc1ccccc1NC(=O)[C@H](C)n1c(=S)[nH]nc1-c1cccs1 ZINC000069514567 222175007 /nfs/dbraw/zinc/17/50/07/222175007.db2.gz XHJKKEWPFVJLQV-JTQLQIEISA-N 0 0 376.532 4.591 50 0 GJAARN Cc1c2cc(Cl)cc(CNC(=O)c3cnc(C)nc3)c2[nH]c1-c1ccccc1 ZINC000071752466 222191950 /nfs/dbraw/zinc/19/19/50/222191950.db2.gz NPJICGBMXUPVGY-UHFFFAOYSA-N 0 0 390.874 4.825 50 0 GJAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071758907 222193115 /nfs/dbraw/zinc/19/31/15/222193115.db2.gz ZPCLDUOHOVVCIQ-KRWDZBQOSA-N 0 0 377.463 4.701 50 0 GJAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071758908 222193905 /nfs/dbraw/zinc/19/39/05/222193905.db2.gz ZPCLDUOHOVVCIQ-QGZVFWFLSA-N 0 0 377.463 4.701 50 0 GJAARN Cc1c2cc(Cl)cc(CNC(=O)[C@@H](C)n3cccn3)c2[nH]c1-c1ccccc1 ZINC000071760119 222194422 /nfs/dbraw/zinc/19/44/22/222194422.db2.gz MFSTUIRUAOUXBL-OAHLLOKOSA-N 0 0 392.890 4.871 50 0 GJAARN O=C(Cc1c[nH]c2ccccc12)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000071767019 222195058 /nfs/dbraw/zinc/19/50/58/222195058.db2.gz DUZIVIVLSXBVPA-UHFFFAOYSA-N 0 0 381.520 4.914 50 0 GJAARN CCc1oncc1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071764665 222196115 /nfs/dbraw/zinc/19/61/15/222196115.db2.gz QPSVXVZSNQRXKV-CQSZACIVSA-N 0 0 380.410 4.741 50 0 GJAARN O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000071817385 222197943 /nfs/dbraw/zinc/19/79/43/222197943.db2.gz MDDSPLNXNACHSB-KGLIPLIRSA-N 0 0 389.402 4.966 50 0 GJAARN Fc1ccc(-c2nnc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)cc1 ZINC000071889750 222199521 /nfs/dbraw/zinc/19/95/21/222199521.db2.gz ZNCHCQVSZPORMU-UHFFFAOYSA-N 0 0 392.352 4.991 50 0 GJAARN CC(=O)N1CCc2cc(C(=O)NCC3(c4cccc(C)c4)CCCCC3)ccc21 ZINC000071932327 222200149 /nfs/dbraw/zinc/20/01/49/222200149.db2.gz QZSUHPSVGYNCET-UHFFFAOYSA-N 0 0 390.527 4.536 50 0 GJAARN COC(=O)c1sc(NC(=O)c2cc(SC)ccc2Cl)nc1C(C)(C)C ZINC000072309308 222222605 /nfs/dbraw/zinc/22/26/05/222222605.db2.gz ZYEXOOJOJDGHSB-UHFFFAOYSA-N 0 0 398.937 4.855 50 0 GJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000072328863 222228582 /nfs/dbraw/zinc/22/85/82/222228582.db2.gz AEMGUUSJUPVYCF-UHFFFAOYSA-N 0 0 379.769 4.679 50 0 GJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NC2CCCCCCC2)cc1Cl ZINC000072329310 222229046 /nfs/dbraw/zinc/22/90/46/222229046.db2.gz AKJHFQCVBGYDLQ-UHFFFAOYSA-N 0 0 375.900 4.972 50 0 GJAARN O=C1C[C@H](c2ccc(Br)s2)c2cnn(Cc3cccs3)c2N1 ZINC000072403500 222254013 /nfs/dbraw/zinc/25/40/13/222254013.db2.gz JTDOHAQJWXFWOG-JTQLQIEISA-N 0 0 394.319 4.941 50 0 GJAARN CN(Cc1csc(-c2ccccc2)n1)C(=O)c1conc1-c1ccccc1 ZINC000072436613 222261044 /nfs/dbraw/zinc/26/10/44/222261044.db2.gz KYGTYNGVVSRCSH-UHFFFAOYSA-N 0 0 375.453 4.737 50 0 GJAARN Cc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)Nc1ccc(Cl)cc1 ZINC000086070088 222326935 /nfs/dbraw/zinc/32/69/35/222326935.db2.gz OAZFPXKNYCSQEZ-UHFFFAOYSA-N 0 0 397.910 4.623 50 0 GJAARN O=C(N1CCC(CSC2=NCCS2)CC1)C1(c2cccs2)CCCC1 ZINC000077101469 222274241 /nfs/dbraw/zinc/27/42/41/222274241.db2.gz LZDUZUFIIQVESY-UHFFFAOYSA-N 0 0 394.631 4.635 50 0 GJAARN C[C@@](O)(CNC(=O)c1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000077184142 222274363 /nfs/dbraw/zinc/27/43/63/222274363.db2.gz UZINCKBPRGGWBW-JOCHJYFZSA-N 0 0 383.850 4.784 50 0 GJAARN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(Cc2nc(-c3ccsc3)no2)n1 ZINC000078875234 222298742 /nfs/dbraw/zinc/29/87/42/222298742.db2.gz FBKHWVAZRPPRJN-UHFFFAOYSA-N 0 0 392.271 4.720 50 0 GJAARN Cc1cccc(-c2nc(CC(=O)NC[C@@H](c3cccnc3)C(C)C)cs2)c1 ZINC000079049100 222302091 /nfs/dbraw/zinc/30/20/91/222302091.db2.gz FKUJKAUUZPWZHB-HXUWFJFHSA-N 0 0 379.529 4.612 50 0 GJAARN CC(C)(C)c1ccccc1NC(=O)NCc1nccn1CCc1ccccc1 ZINC000079051554 222302503 /nfs/dbraw/zinc/30/25/03/222302503.db2.gz MYIODQAJRXZEJK-UHFFFAOYSA-N 0 0 376.504 4.745 50 0 GJAARN O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000084338988 222314399 /nfs/dbraw/zinc/31/43/99/222314399.db2.gz NCLIARJNBFIFTL-GOSISDBHSA-N 0 0 388.558 4.626 50 0 GJAARN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1csc(-c2cccs2)n1 ZINC000084525075 222316545 /nfs/dbraw/zinc/31/65/45/222316545.db2.gz QDCRWGANJHVIRG-SFHVURJKSA-N 0 0 377.494 4.786 50 0 GJAARN O=C(Nc1ccccc1N1CCCCCC1)c1cn(-c2ccccc2Cl)nn1 ZINC000084506857 222317174 /nfs/dbraw/zinc/31/71/74/222317174.db2.gz KGFBGHXWZJQBJE-UHFFFAOYSA-N 0 0 395.894 4.553 50 0 GJAARN C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cnc2ccccc2c1 ZINC000095942859 222362269 /nfs/dbraw/zinc/36/22/69/222362269.db2.gz NIUJOEQSGWSYCJ-KUHUBIRLSA-N 0 0 384.476 4.532 50 0 GJAARN C[C@@H](Nc1ccnc(C(=O)NCc2ccccc2)c1)c1csc(C2CC2)n1 ZINC000095958883 222363885 /nfs/dbraw/zinc/36/38/85/222363885.db2.gz GXCFNHFZBKLQME-CQSZACIVSA-N 0 0 378.501 4.519 50 0 GJAARN COc1ccc(C)cc1-c1csc(NC(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000095963576 222365516 /nfs/dbraw/zinc/36/55/16/222365516.db2.gz HIJFJEMPASRQJY-UHFFFAOYSA-N 0 0 396.365 4.936 50 0 GJAARN Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)c1ccc2oc(C(C)C)nc2c1 ZINC000095993504 222369568 /nfs/dbraw/zinc/36/95/68/222369568.db2.gz QUNRRSUSDHMOGH-UHFFFAOYSA-N 0 0 382.508 4.626 50 0 GJAARN CCN(Cc1cnc2ccccn12)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000096025080 222372699 /nfs/dbraw/zinc/37/26/99/222372699.db2.gz HSKZAQWTDODBHT-UHFFFAOYSA-N 0 0 384.483 4.655 50 0 GJAARN CSc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119681 222383710 /nfs/dbraw/zinc/38/37/10/222383710.db2.gz NAKVHDFVWMTNSB-UHFFFAOYSA-N 0 0 391.452 4.895 50 0 GJAARN CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 ZINC000096275460 222408115 /nfs/dbraw/zinc/40/81/15/222408115.db2.gz PJVYJCCGVHMJGY-UHFFFAOYSA-N 0 0 389.499 4.766 50 0 GJAARN CCN(Cc1ccc(Cl)s1)S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000096833129 222425533 /nfs/dbraw/zinc/42/55/33/222425533.db2.gz HZQJJISREIQGIZ-KTKRTIGZSA-N 0 0 376.330 4.878 50 0 GJAARN COc1cc(F)c(C(=O)Nc2ccc(Sc3cccs3)cn2)cc1OC ZINC000098013091 222453233 /nfs/dbraw/zinc/45/32/33/222453233.db2.gz MIMVCPJGOQHPHM-UHFFFAOYSA-N 0 0 390.461 4.703 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000098072750 222453507 /nfs/dbraw/zinc/45/35/07/222453507.db2.gz VFMGCOLVGXZLAD-UHFFFAOYSA-N 0 0 394.212 4.577 50 0 GJAARN Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)c(C)c1 ZINC000101070093 222466657 /nfs/dbraw/zinc/46/66/57/222466657.db2.gz XLFBFVCNJNLAPH-SFHVURJKSA-N 0 0 381.277 4.713 50 0 GJAARN CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101678730 222475310 /nfs/dbraw/zinc/47/53/10/222475310.db2.gz ZEPLUFMOFBPTLD-GOSISDBHSA-N 0 0 393.878 4.582 50 0 GJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@H]2C1 ZINC000101889611 222477736 /nfs/dbraw/zinc/47/77/36/222477736.db2.gz SDCWCBCCXXJTKX-VMDGZTHMSA-N 0 0 396.874 4.518 50 0 GJAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000102514665 222481474 /nfs/dbraw/zinc/48/14/74/222481474.db2.gz ZREUTFRQWGQGFH-IHRRRGAJSA-N 0 0 390.578 4.612 50 0 GJAARN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000126186209 222524817 /nfs/dbraw/zinc/52/48/17/222524817.db2.gz MFHMGAOHUGWPSR-UHFFFAOYSA-N 0 0 394.471 4.929 50 0 GJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 ZINC000010443058 518165314 /nfs/dbraw/zinc/16/53/14/518165314.db2.gz WGKRHQOHWZEKPM-UHFFFAOYSA-N 0 0 392.455 4.826 50 0 GJAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1cccs1 ZINC000012548114 518177821 /nfs/dbraw/zinc/17/78/21/518177821.db2.gz DGPOMKUJFZBECI-GFCCVEGCSA-N 0 0 385.489 4.683 50 0 GJAARN Cc1ccc2c(Cl)c(C(=O)N3CCN(CCc4ccccc4)CC3)sc2c1 ZINC000055057226 534393351 /nfs/dbraw/zinc/39/33/51/534393351.db2.gz WRLLBFKUPZJXJZ-UHFFFAOYSA-N 0 0 398.959 4.864 50 0 GJAARN FC(F)(F)c1cc(NCc2nnc3n2-c2ccccc2CC3)c2ccccc2n1 ZINC000089857668 534416896 /nfs/dbraw/zinc/41/68/96/534416896.db2.gz XDQVOQQTYBQMBJ-UHFFFAOYSA-N 0 0 395.388 4.545 50 0 GJAARN CCN(CC)c1cc(C)c2cc(NC(=O)Cc3ccccc3OC)ccc2n1 ZINC000004757337 520876628 /nfs/dbraw/zinc/87/66/28/520876628.db2.gz AHXURJZOQKSMOS-UHFFFAOYSA-N 0 0 377.488 4.579 50 0 GJAARN O=C(c1ccc(F)cc1Cl)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613815 534707861 /nfs/dbraw/zinc/70/78/61/534707861.db2.gz BNANIIJXKJTFFC-MRXNPFEDSA-N 0 0 388.653 5.000 50 0 GJAARN Nc1cncc(-c2cccc(C(=O)N(Cc3ccccn3)C3CCCCC3)c2)c1 ZINC000426513643 534744282 /nfs/dbraw/zinc/74/42/82/534744282.db2.gz LPORKDVMBXMZKD-UHFFFAOYSA-N 0 0 386.499 4.701 50 0 GJAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCOc4ccccc43)c12 ZINC000040133176 534807543 /nfs/dbraw/zinc/80/75/43/534807543.db2.gz DWMNXIBTFICJQY-UHFFFAOYSA-N 0 0 392.503 4.657 50 0 GJAARN CC(C)(C)OC(=O)N1CCC(Oc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091365830 526395992 /nfs/dbraw/zinc/39/59/92/526395992.db2.gz OCCRBHFNTBZJHN-UHFFFAOYSA-N 0 0 380.794 4.532 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(Cl)cc1Cl ZINC000015582752 526509987 /nfs/dbraw/zinc/50/99/87/526509987.db2.gz FCEFOISBEOJDME-LJQANCHMSA-N 0 0 389.282 4.574 50 0 GJAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccccc4Cl)c(=O)c23)C1 ZINC000001784982 526734527 /nfs/dbraw/zinc/73/45/27/526734527.db2.gz NDVXZYVFPFLXCA-ZDUSSCGKSA-N 0 0 387.936 4.706 50 0 GJAARN O=C(CSc1ncnc2ccccc21)NC(c1ccccc1)c1ccccc1 ZINC000003322088 527073833 /nfs/dbraw/zinc/07/38/33/527073833.db2.gz NBINXRYBEBXUTJ-UHFFFAOYSA-N 0 0 385.492 4.628 50 0 GJAARN O=C(Cc1cccc2ccccc21)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000008184936 527272967 /nfs/dbraw/zinc/27/29/67/527272967.db2.gz RJPQATWADNJLGS-UHFFFAOYSA-N 0 0 375.859 4.919 50 0 GJAARN CCCNC(=O)Cc1ccc(N(Cc2ccccc2C)C(=O)C2CCCC2)cc1 ZINC000034679746 528408927 /nfs/dbraw/zinc/40/89/27/528408927.db2.gz YCJPUINLPAVTOU-UHFFFAOYSA-N 0 0 392.543 4.787 50 0 GJAARN CC[C@@H](C)NC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1 ZINC000003048923 529373219 /nfs/dbraw/zinc/37/32/19/529373219.db2.gz FEZFYRZZZBWQDT-GFCCVEGCSA-N 0 0 376.909 4.978 50 0 GJAARN O=C(NCc1ccc(F)cc1)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 ZINC000047912392 570216222 /nfs/dbraw/zinc/21/62/22/570216222.db2.gz GMTAHCDUCTUODR-UHFFFAOYSA-N 0 0 387.411 4.600 50 0 GJAARN C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC000000682480 570217043 /nfs/dbraw/zinc/21/70/43/570217043.db2.gz IBGCTMSFAXDDHR-SNVBAGLBSA-N 0 0 383.083 4.703 50 0 GJAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SC/C=C/c2ccccc2)o1 ZINC000004301326 570217914 /nfs/dbraw/zinc/21/79/14/570217914.db2.gz PCKCLAQSWPIHIX-KXKDPZRNSA-N 0 0 387.505 4.947 50 0 GJAARN COc1ccc2oc(C(=O)OCC(=O)C34CC5CC(CC(C5)C3)C4)c(C)c2c1 ZINC000004319060 570220521 /nfs/dbraw/zinc/22/05/21/570220521.db2.gz LNIWKELXVXXQGX-UHFFFAOYSA-N 0 0 382.456 4.692 50 0 GJAARN Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccc(Cl)c(C(F)(F)F)c3)cc12 ZINC000048234525 570221029 /nfs/dbraw/zinc/22/10/29/570221029.db2.gz WRNBVKGJZGYDAN-GQCTYLIASA-N 0 0 394.784 4.601 50 0 GJAARN O=C1OC(c2ccccc2)=N/C1=C\c1cc2ccccc2nc1N1CCCCC1 ZINC000019848433 570225308 /nfs/dbraw/zinc/22/53/08/570225308.db2.gz PEAHFQUJZBEDLM-PGMHBOJBSA-N 0 0 383.451 4.570 50 0 GJAARN CC(C)OC(=O)C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1Cl ZINC000048253925 570227142 /nfs/dbraw/zinc/22/71/42/570227142.db2.gz HSTOPMCAZPSWIS-INIZCTEOSA-N 0 0 398.261 4.945 50 0 GJAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CCOCC1)n2C ZINC000019894347 570228060 /nfs/dbraw/zinc/22/80/60/570228060.db2.gz DCWNWWIGOXPIOI-UHFFFAOYSA-N 0 0 382.891 4.534 50 0 GJAARN O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000011585888 570232335 /nfs/dbraw/zinc/23/23/35/570232335.db2.gz DYJNUNVSRFOURI-INIZCTEOSA-N 0 0 390.270 4.612 50 0 GJAARN CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000012819517 570233124 /nfs/dbraw/zinc/23/31/24/570233124.db2.gz ANNNQNPUUGJZND-UHFFFAOYSA-N 0 0 377.275 4.591 50 0 GJAARN O=C([O-])[C@@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035105593 570233823 /nfs/dbraw/zinc/23/38/23/570233823.db2.gz LPTCXUNKCOMXID-VBKZILBWSA-N 0 0 391.496 4.783 50 0 GJAARN CCOC(=O)N1CCC(NC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000043171482 570234278 /nfs/dbraw/zinc/23/42/78/570234278.db2.gz HLCHUCFAZQEZPT-UHFFFAOYSA-N 0 0 375.513 4.676 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1nc(SCc2ccccc2)ns1 ZINC000006078909 570235443 /nfs/dbraw/zinc/23/54/43/570235443.db2.gz WOSONCBZPFNQTL-UHFFFAOYSA-N 0 0 391.905 4.501 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364534 570235660 /nfs/dbraw/zinc/23/56/60/570235660.db2.gz UXJGFFFMCMCKEK-OAHLLOKOSA-N 0 0 382.822 4.638 50 0 GJAARN C[C@H](Sc1nnc(COc2ccccc2Cl)o1)c1nc(C(C)(C)C)no1 ZINC000048324986 570235711 /nfs/dbraw/zinc/23/57/11/570235711.db2.gz PPDMMADWWRZSKV-JTQLQIEISA-N 0 0 394.884 4.836 50 0 GJAARN COc1ccc(N(C(=S)Nc2ccc(F)cc2)C2=NCC(C)(C)S2)cc1 ZINC000004817133 570235986 /nfs/dbraw/zinc/23/59/86/570235986.db2.gz UTCHEAVAXBUKMI-UHFFFAOYSA-N 0 0 389.521 4.919 50 0 GJAARN O=S(=O)(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc2ccccc21 ZINC000006079596 570236000 /nfs/dbraw/zinc/23/60/00/570236000.db2.gz LUZCBHWDVOWYPE-UHFFFAOYSA-N 0 0 399.475 4.955 50 0 GJAARN C[C@@H]1C[C@H]1C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023312291 570237460 /nfs/dbraw/zinc/23/74/60/570237460.db2.gz PLMUOHDAJSHRTB-DNVCBOLYSA-N 0 0 377.463 4.662 50 0 GJAARN O=C(c1cccc(F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023312561 570237740 /nfs/dbraw/zinc/23/77/40/570237740.db2.gz UDGGHVAUPLRQGF-QHCPKHFHSA-N 0 0 392.449 4.512 50 0 GJAARN CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl ZINC000006084481 570239200 /nfs/dbraw/zinc/23/92/00/570239200.db2.gz MGGPRDPJTUOBNW-SFHVURJKSA-N 0 0 377.315 4.619 50 0 GJAARN Cc1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c4ccccc4[nH]c32)cc1 ZINC000006088017 570240660 /nfs/dbraw/zinc/24/06/60/570240660.db2.gz WYUBBSNEBJLQEC-QGZVFWFLSA-N 0 0 385.467 4.600 50 0 biogenic GJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000048354400 570242036 /nfs/dbraw/zinc/24/20/36/570242036.db2.gz KAXMMSJZKFRMBD-ZDUSSCGKSA-N 0 0 394.298 4.873 50 0 GJAARN CC(C)(C)c1cc(NC(=O)CCCc2nc(C(C)(C)C)no2)n(C(C)(C)C)n1 ZINC000048366335 570245861 /nfs/dbraw/zinc/24/58/61/570245861.db2.gz RJABJLWGHWESNK-UHFFFAOYSA-N 0 0 389.544 4.578 50 0 GJAARN COc1ccc(NC(C)=O)c(NC(=O)c2ccc(-c3ccccc3F)s2)c1 ZINC000048366373 570246340 /nfs/dbraw/zinc/24/63/40/570246340.db2.gz MDZQLIICFGFGJK-UHFFFAOYSA-N 0 0 384.432 4.774 50 0 GJAARN Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001146368 570248564 /nfs/dbraw/zinc/24/85/64/570248564.db2.gz YWVLAEYHFRLVLV-RCCKNPSSSA-N 0 0 384.435 4.671 50 0 GJAARN CC(C)(C)c1cc(CCC(=O)N2CCCSCC2)cc(C(C)(C)C)c1O ZINC000060847486 570249029 /nfs/dbraw/zinc/24/90/29/570249029.db2.gz IACMBVXGOCRMHA-UHFFFAOYSA-N 0 0 377.594 4.885 50 0 GJAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)/C=C/c1ccc(OC)cc1 ZINC000001157328 570250618 /nfs/dbraw/zinc/25/06/18/570250618.db2.gz YGNRTIMZQCVSMI-JLHYYAGUSA-N 0 0 393.464 4.862 50 0 GJAARN COc1cccc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc21 ZINC000001509884 570253864 /nfs/dbraw/zinc/25/38/64/570253864.db2.gz PBGWZYORHVGCGB-UHFFFAOYSA-N 0 0 388.448 4.788 50 0 GJAARN Cc1noc(C)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019580067 570254565 /nfs/dbraw/zinc/25/45/65/570254565.db2.gz FLAXQROSSBDTMC-GOSISDBHSA-N 0 0 383.423 4.843 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(F)c(F)c2)n1 ZINC000049005464 570257265 /nfs/dbraw/zinc/25/72/65/570257265.db2.gz CFRNLHCGUHHUJS-UHFFFAOYSA-N 0 0 396.441 4.832 50 0 GJAARN C[C@H](CO)Oc1ccc(-c2ccc(-c3ccc(O[C@@H](C)CO)cc3)cc2F)cc1 ZINC000001405415 570262089 /nfs/dbraw/zinc/26/20/89/570262089.db2.gz MJYBOLOAOGAXNB-DLBZAZTESA-N 0 0 396.458 4.679 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCCC3)c2Nc2ccc(Cl)cc2)n1 ZINC000049004657 570262055 /nfs/dbraw/zinc/26/20/55/570262055.db2.gz YRXLXLSPXSKGDM-UHFFFAOYSA-N 0 0 380.879 4.961 50 0 GJAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(Cl)c1 ZINC000001410881 570262400 /nfs/dbraw/zinc/26/24/00/570262400.db2.gz HJKFSNPURZFAGD-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc21 ZINC000012831662 570264197 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O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000012948148 570317424 /nfs/dbraw/zinc/31/74/24/570317424.db2.gz BJAMQNZZLPEKBZ-UHFFFAOYSA-N 0 0 390.826 4.601 50 0 GJAARN CC[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000006122308 570318356 /nfs/dbraw/zinc/31/83/56/570318356.db2.gz AVPZDYPISIYXHA-JTQLQIEISA-N 0 0 377.897 4.659 50 0 GJAARN Cc1cc2c(cc1-c1ccnc3nc(-c4ccncc4)nn31)[C@@H](C)CC(C)(C)N2 ZINC000575473146 570320054 /nfs/dbraw/zinc/32/00/54/570320054.db2.gz IOGGSGQVTXRIBL-HNNXBMFYSA-N 0 0 384.487 4.859 50 0 GJAARN C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(F)cc4)cc3cc21 ZINC000575473201 570320198 /nfs/dbraw/zinc/32/01/98/570320198.db2.gz MZPVVHZNARIHHN-ZDUSSCGKSA-N 0 0 379.431 4.885 50 0 GJAARN Cc1occc1-c1nnc(SCc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000004843399 570321019 /nfs/dbraw/zinc/32/10/19/570321019.db2.gz KNFNZLYWLSZYOU-UHFFFAOYSA-N 0 0 391.452 4.857 50 0 GJAARN CCCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1 ZINC000002971012 570321124 /nfs/dbraw/zinc/32/11/24/570321124.db2.gz ILHIDIOARSPNII-UHFFFAOYSA-N 0 0 395.240 4.641 50 0 GJAARN CCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2CC1(CC)CC ZINC000002986691 570323398 /nfs/dbraw/zinc/32/33/98/570323398.db2.gz UNHYCNOBTURIFS-UHFFFAOYSA-N 0 0 377.484 4.753 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccc(OC)cc2)no1 ZINC000035319250 570325550 /nfs/dbraw/zinc/32/55/50/570325550.db2.gz LMSRFYAIOJMWDI-IBGZPJMESA-N 0 0 392.459 4.677 50 0 GJAARN Cc1noc(C)c1CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000006200482 570325884 /nfs/dbraw/zinc/32/58/84/570325884.db2.gz YFIOVTAIBWFHNG-UHFFFAOYSA-N 0 0 382.514 4.952 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000022750099 570326042 /nfs/dbraw/zinc/32/60/42/570326042.db2.gz COTGUHPMGVOYRI-QGZVFWFLSA-N 0 0 381.888 4.808 50 0 GJAARN CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1cccc(Cl)c1 ZINC000003049305 570326822 /nfs/dbraw/zinc/32/68/22/570326822.db2.gz QRRBZUPBXJIZSC-UHFFFAOYSA-N 0 0 385.876 4.828 50 0 GJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000022191291 570326832 /nfs/dbraw/zinc/32/68/32/570326832.db2.gz JEIGIGJXYQPZCP-ZDUSSCGKSA-N 0 0 386.498 4.941 50 0 GJAARN CC(C)c1ccc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000026436549 570327125 /nfs/dbraw/zinc/32/71/25/570327125.db2.gz XVCVPFWOZKXVIB-IBGZPJMESA-N 0 0 396.468 4.681 50 0 GJAARN O=C(NCC[C@@H](CCO)c1ccsc1)C1c2ccccc2Oc2ccccc21 ZINC000575605634 570329112 /nfs/dbraw/zinc/32/91/12/570329112.db2.gz BTBPFAWNADYQRI-INIZCTEOSA-N 0 0 393.508 4.658 50 0 GJAARN Cc1ccc(C(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000022869412 570331966 /nfs/dbraw/zinc/33/19/66/570331966.db2.gz BMUAJFBEYQMHCK-UHFFFAOYSA-N 0 0 382.507 4.565 50 0 GJAARN O=S(=O)(NCc1nc(C2CCCCC2)cs1)c1cccc2ccccc21 ZINC000575609121 570332244 /nfs/dbraw/zinc/33/22/44/570332244.db2.gz OTYKHJCROQUERG-UHFFFAOYSA-N 0 0 386.542 4.823 50 0 GJAARN COc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1Br ZINC000023764841 570332983 /nfs/dbraw/zinc/33/29/83/570332983.db2.gz TVXRSHOEZBKFEA-SNVBAGLBSA-N 0 0 384.220 4.569 50 0 GJAARN COc1ccc([C@@H]2CCCN2Cc2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000023873967 570333842 /nfs/dbraw/zinc/33/38/42/570333842.db2.gz LGWBXLLVLHFYRO-KRWDZBQOSA-N 0 0 387.430 4.786 50 0 GJAARN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000022914321 570334638 /nfs/dbraw/zinc/33/46/38/570334638.db2.gz CUXKYTFOCYWFKB-IAGOWNOFSA-N 0 0 396.922 4.830 50 0 GJAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2cccc(Cl)c2)cc1OC ZINC000034793857 570336539 /nfs/dbraw/zinc/33/65/39/570336539.db2.gz VLEQFYUCWFGBLR-UHFFFAOYSA-N 0 0 397.862 4.877 50 0 GJAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccc(F)cc2)cc1OC ZINC000034796581 570338320 /nfs/dbraw/zinc/33/83/20/570338320.db2.gz QPACWYVUDKONDG-UHFFFAOYSA-N 0 0 396.422 4.754 50 0 GJAARN O=C(NC1CCCCC1)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906671 570339525 /nfs/dbraw/zinc/33/95/25/570339525.db2.gz FRFSUAATWMRNIU-GOSISDBHSA-N 0 0 394.563 4.817 50 0 GJAARN Cc1cc(NC(=O)c2cccc(Br)c2)nn1-c1ccc(Cl)cc1 ZINC000034907551 570339852 /nfs/dbraw/zinc/33/98/52/570339852.db2.gz OUQPWLWKXVKBML-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN CCCCc1ccc(C(=O)N2CCN(c3nc(C)nc(C)c3C(C)C)CC2)cc1 ZINC000006204251 570340228 /nfs/dbraw/zinc/34/02/28/570340228.db2.gz RQRSLKYFUPTUNE-UHFFFAOYSA-N 0 0 394.563 4.522 50 0 GJAARN CCn1nc(-c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccccc1F ZINC000034903272 570343862 /nfs/dbraw/zinc/34/38/62/570343862.db2.gz LRWICWLYMAZKQL-UHFFFAOYSA-N 0 0 377.341 4.980 50 0 GJAARN Cc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000032948995 570344266 /nfs/dbraw/zinc/34/42/66/570344266.db2.gz KQTWVILWIBCOCS-FQEVSTJZSA-N 0 0 388.467 4.699 50 0 GJAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)Cc1ccc(F)cc1 ZINC000034913303 570347299 /nfs/dbraw/zinc/34/72/99/570347299.db2.gz ASVDRJZCMSCLQU-UHFFFAOYSA-N 0 0 377.394 4.769 50 0 GJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccccc3)no2)o1 ZINC000023186811 570348274 /nfs/dbraw/zinc/34/82/74/570348274.db2.gz SCDKSXKKGQUHBJ-GFCCVEGCSA-N 0 0 398.419 4.691 50 0 GJAARN Cc1cccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)n1 ZINC000003638875 570349279 /nfs/dbraw/zinc/34/92/79/570349279.db2.gz OOOSGDLPYHLGTB-UHFFFAOYSA-N 0 0 397.272 4.984 50 0 GJAARN O=C(c1cccc(Cl)c1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399460 570350163 /nfs/dbraw/zinc/35/01/63/570350163.db2.gz RZXXUSQMARKEEV-UHFFFAOYSA-N 0 0 395.865 4.827 50 0 biogenic GJAARN Cc1cccc(Cn2c3ccccc3c3ncn(CCc4ccccc4)c(=O)c32)c1 ZINC000035400246 570350885 /nfs/dbraw/zinc/35/08/85/570350885.db2.gz NXKADDSIXFVTNY-UHFFFAOYSA-N 0 0 393.490 4.951 50 0 GJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1 ZINC000004877753 570353288 /nfs/dbraw/zinc/35/32/88/570353288.db2.gz WJMCCKNXXIZMDE-UHFFFAOYSA-N 0 0 396.899 4.532 50 0 GJAARN Cc1cccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)c1 ZINC000004019500 570354598 /nfs/dbraw/zinc/35/45/98/570354598.db2.gz ZXYNSIZWYBJXGN-UHFFFAOYSA-N 0 0 381.435 4.561 50 0 GJAARN CCc1nnc(-c2cn(CC(=O)Nc3ccc(C)c(Cl)c3)c3ccccc23)o1 ZINC000035422967 570354830 /nfs/dbraw/zinc/35/48/30/570354830.db2.gz FSRYNZYZEWSUFA-UHFFFAOYSA-N 0 0 394.862 4.854 50 0 GJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Oc1ccc(Cl)cc1Cl ZINC000004023836 570354952 /nfs/dbraw/zinc/35/49/52/570354952.db2.gz OTGGZRGDUQSVIL-UHFFFAOYSA-N 0 0 389.160 4.968 50 0 GJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000004109417 570357805 /nfs/dbraw/zinc/35/78/05/570357805.db2.gz QYJOLBSSRCGIBI-UHFFFAOYSA-N 0 0 393.531 4.511 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)cc1OC ZINC000004146213 570359930 /nfs/dbraw/zinc/35/99/30/570359930.db2.gz IGTAVZAPGLHBIZ-IBGZPJMESA-N 0 0 378.472 4.908 50 0 GJAARN COc1ccc2nc3sc(C(=O)Nc4cc(OC)ccc4OC)cc3cc2c1 ZINC000004900609 570360040 /nfs/dbraw/zinc/36/00/40/570360040.db2.gz IGIKFSIWVBGJNH-UHFFFAOYSA-N 0 0 394.452 4.728 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000004902058 570360416 /nfs/dbraw/zinc/36/04/16/570360416.db2.gz QIPQRRCTGYLOKK-UHFFFAOYSA-N 0 0 386.495 4.684 50 0 GJAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)COc2ccccc2Cl)c1 ZINC000004173599 570360829 /nfs/dbraw/zinc/36/08/29/570360829.db2.gz WGJPJGKEZHWTNX-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN Fc1ccc(-c2nnc(CN3CCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000023409324 570361226 /nfs/dbraw/zinc/36/12/26/570361226.db2.gz QHSRQQPZKOAHGR-INIZCTEOSA-N 0 0 380.448 4.823 50 0 GJAARN COc1ccc2cc(C(=O)NCCc3cn(C(C)C)c4ccccc34)[nH]c2c1 ZINC000604418952 570362834 /nfs/dbraw/zinc/36/28/34/570362834.db2.gz YIPUTKHKEMJPMA-UHFFFAOYSA-N 0 0 375.472 4.685 50 0 GJAARN Cc1ccc(C)c(Nc2cc(C(=O)NCc3cccnc3)c3ccccc3n2)c1 ZINC000004910918 570363181 /nfs/dbraw/zinc/36/31/81/570363181.db2.gz SCNBXIQDFLIXKK-UHFFFAOYSA-N 0 0 382.467 4.920 50 0 GJAARN CCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C ZINC000004914322 570363938 /nfs/dbraw/zinc/36/39/38/570363938.db2.gz UDSWKBMKZPWONL-UHFFFAOYSA-N 0 0 398.547 4.526 50 0 GJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004281955 570365318 /nfs/dbraw/zinc/36/53/18/570365318.db2.gz KHISSCDJJUDGQH-URXFXBBRSA-N 0 0 386.451 4.946 50 0 GJAARN COc1ccc([C@H](CNC(=O)Cc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000023573148 570365800 /nfs/dbraw/zinc/36/58/00/570365800.db2.gz UTHRXVHSYWWDKU-QFIPXVFZSA-N 0 0 384.479 4.667 50 0 GJAARN Cc1ccc2c(COC(=O)Cc3ccc(Cl)cc3Cl)cc(=O)oc2c1 ZINC000006302182 570366643 /nfs/dbraw/zinc/36/66/43/570366643.db2.gz HUYYWUGESHAGDD-UHFFFAOYSA-N 0 0 377.223 4.694 50 0 GJAARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000006307524 570367386 /nfs/dbraw/zinc/36/73/86/570367386.db2.gz LXBUHYWMWUBSBY-UHFFFAOYSA-N 0 0 380.469 4.957 50 0 GJAARN COC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 ZINC000004322732 570367807 /nfs/dbraw/zinc/36/78/07/570367807.db2.gz UHQSIQGEHJXZEZ-NOZJJQNGSA-N 0 0 388.316 4.553 50 0 GJAARN O=C(CSc1ccc(F)cc1)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619682 570368433 /nfs/dbraw/zinc/36/84/33/570368433.db2.gz KEDPIDRXKRNCMZ-UHFFFAOYSA-N 0 0 381.476 4.756 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1c(C(F)(F)F)ccnc1OCC(F)(F)F ZINC000004335875 570369105 /nfs/dbraw/zinc/36/91/05/570369105.db2.gz MHNOPYWQSXWVLV-UHFFFAOYSA-N 0 0 398.690 4.947 50 0 GJAARN Cc1ccc2cc([C@@H]3Nc4sc5c(c4C(=O)N3)CCCC5)c(Cl)nc2c1 ZINC000004349833 570370417 /nfs/dbraw/zinc/37/04/17/570370417.db2.gz TUUBVNTVUHTJKS-SFHVURJKSA-N 0 0 383.904 4.991 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)N[C@@H]4CCCC[C@H]4C)sc3n2)cc1 ZINC000004930994 570372639 /nfs/dbraw/zinc/37/26/39/570372639.db2.gz WXBHDROINPQPQE-CXAGYDPISA-N 0 0 383.517 4.688 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1 ZINC000004930828 570372761 /nfs/dbraw/zinc/37/27/61/570372761.db2.gz PRELXFGIODHOMU-UHFFFAOYSA-N 0 0 375.453 4.826 50 0 GJAARN CN1c2cc(C(=O)N3CCCC3)ccc2S/C(=C\c2cccc(Cl)c2)C1=O ZINC000004932026 570373113 /nfs/dbraw/zinc/37/31/13/570373113.db2.gz ASHRCMPMLAGIHP-UNOMPAQXSA-N 0 0 398.915 4.686 50 0 GJAARN CC(=O)N(C)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000118260505 570374389 /nfs/dbraw/zinc/37/43/89/570374389.db2.gz DGCDKQNCCWDSKN-UHFFFAOYSA-N 0 0 385.876 4.699 50 0 GJAARN CCn1c(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)sc2c2ccccc21 ZINC000004939215 570375280 /nfs/dbraw/zinc/37/52/80/570375280.db2.gz RRXPQQKNVCYRHB-UHFFFAOYSA-N 0 0 396.899 4.820 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1OC ZINC000004939282 570375383 /nfs/dbraw/zinc/37/53/83/570375383.db2.gz ATPJVNSQHODMJW-UHFFFAOYSA-N 0 0 395.436 4.586 50 0 GJAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1ccc(OC)cc1 ZINC000004939481 570375709 /nfs/dbraw/zinc/37/57/09/570375709.db2.gz SCPGEPNZLRNTTN-UHFFFAOYSA-N 0 0 393.464 4.991 50 0 GJAARN COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)c1 ZINC000004937200 570375995 /nfs/dbraw/zinc/37/59/95/570375995.db2.gz RCVSDSKBFXMERV-UHFFFAOYSA-N 0 0 397.474 4.906 50 0 GJAARN COc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)nc2c1 ZINC000006314468 570376381 /nfs/dbraw/zinc/37/63/81/570376381.db2.gz BQARTBCWLLEQDV-SECBINFHSA-N 0 0 396.299 4.998 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000006317044 570377199 /nfs/dbraw/zinc/37/71/99/570377199.db2.gz UKBCUVJPHZICKI-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN O=C(NC1CCCC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502467 570377488 /nfs/dbraw/zinc/37/74/88/570377488.db2.gz DPBKJJDSPLENIU-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN Cc1ccc(-n2cnnc2S[C@@H](C)c2nc(C(C)(C)C)no2)cc1Cl ZINC000024046352 570377963 /nfs/dbraw/zinc/37/79/63/570377963.db2.gz IFLWSLOEZYCMNV-NSHDSACASA-N 0 0 377.901 4.763 50 0 GJAARN Cc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccco1 ZINC000004487778 570378083 /nfs/dbraw/zinc/37/80/83/570378083.db2.gz UOUYGZYLBUQIPD-UHFFFAOYSA-N 0 0 384.819 4.511 50 0 GJAARN C[C@@H](c1nc2ccccc2s1)N(C)Cn1ncn(-c2ccccc2)c1=S ZINC000024061416 570378106 /nfs/dbraw/zinc/37/81/06/570378106.db2.gz KCDBQVYDDYRPEM-AWEZNQCLSA-N 0 0 381.530 4.663 50 0 GJAARN CCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)cc1 ZINC000004948178 570378728 /nfs/dbraw/zinc/37/87/28/570378728.db2.gz WKDVAJISFAPBHE-HNNXBMFYSA-N 0 0 395.528 4.659 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)cs1)c1cc2ccccc2oc1=O ZINC000004516960 570380890 /nfs/dbraw/zinc/38/08/90/570380890.db2.gz OMUPTPJDIINSEB-UHFFFAOYSA-N 0 0 379.462 4.892 50 0 GJAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)NCc1ccc(Cl)cc1 ZINC000090592992 570381378 /nfs/dbraw/zinc/38/13/78/570381378.db2.gz BGEOGMVBQYRMKD-UHFFFAOYSA-N 0 0 389.883 4.910 50 0 GJAARN CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C ZINC000024965756 570381540 /nfs/dbraw/zinc/38/15/40/570381540.db2.gz KJESYXOOCCUXSZ-UHFFFAOYSA-N 0 0 396.468 4.885 50 0 GJAARN CCOc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000004960651 570382254 /nfs/dbraw/zinc/38/22/54/570382254.db2.gz OKOFZZBMDCWCAX-FQEVSTJZSA-N 0 0 379.847 4.905 50 0 GJAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1Cl ZINC000004966431 570383410 /nfs/dbraw/zinc/38/34/10/570383410.db2.gz UWKBQLJCXXMHKD-UHFFFAOYSA-N 0 0 385.920 4.768 50 0 GJAARN Cn1cc(CCCC(=O)NCc2cccc(Br)c2)c2ccccc21 ZINC000006782711 570386169 /nfs/dbraw/zinc/38/61/69/570386169.db2.gz UZLKQUYQQABCIQ-UHFFFAOYSA-N 0 0 385.305 4.580 50 0 GJAARN COc1ccc(CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)cc1F ZINC000024581135 570386268 /nfs/dbraw/zinc/38/62/68/570386268.db2.gz CAQPFBOIPRCXRR-UHFFFAOYSA-N 0 0 390.414 4.915 50 0 GJAARN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000035511837 570388711 /nfs/dbraw/zinc/38/87/11/570388711.db2.gz YVQVFPYTFKMVAW-JOCHJYFZSA-N 0 0 398.510 4.551 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 ZINC000006323586 570389010 /nfs/dbraw/zinc/38/90/10/570389010.db2.gz MCURMIHQVGCKOE-UHFFFAOYSA-N 0 0 383.473 4.686 50 0 GJAARN COCn1ccnc1[C@](O)(c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000004631799 570389062 /nfs/dbraw/zinc/38/90/62/570389062.db2.gz IDNFQOVTGDILQV-JOCHJYFZSA-N 0 0 384.907 4.722 50 0 GJAARN Cc1ccc(CNC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)cc1 ZINC000035534867 570390116 /nfs/dbraw/zinc/39/01/16/570390116.db2.gz CKXWTLWYNNAWCO-UHFFFAOYSA-N 0 0 383.904 4.585 50 0 GJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NCc1ccccc1 ZINC000035537651 570390840 /nfs/dbraw/zinc/39/08/40/570390840.db2.gz BKXXOHSRENSNCX-SFHVURJKSA-N 0 0 399.922 4.681 50 0 GJAARN Nc1nc(COc2c(Cl)cccc2Cl)nc(Nc2ccc(Cl)cc2)n1 ZINC000024754318 570391570 /nfs/dbraw/zinc/39/15/70/570391570.db2.gz ZZZVQLDPNPIYIJ-UHFFFAOYSA-N 0 0 396.665 4.737 50 0 GJAARN Cc1cc(NC(=O)Cc2csc(-c3ccsc3)n2)n(Cc2ccccc2)n1 ZINC000024757095 570391714 /nfs/dbraw/zinc/39/17/14/570391714.db2.gz TYXOTVBNKGLFJF-UHFFFAOYSA-N 0 0 394.525 4.606 50 0 GJAARN O=C(CCSc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000004674711 570392083 /nfs/dbraw/zinc/39/20/83/570392083.db2.gz GUTAUNPEIUHBQG-UHFFFAOYSA-N 0 0 382.529 4.870 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000004682359 570392928 /nfs/dbraw/zinc/39/29/28/570392928.db2.gz VJNBCVAYLCUFNS-UHFFFAOYSA-N 0 0 375.852 4.948 50 0 GJAARN COc1ccc(Br)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000006331695 570393786 /nfs/dbraw/zinc/39/37/86/570393786.db2.gz DVGZCRXQDXBOAH-UHFFFAOYSA-N 0 0 397.681 4.973 50 0 GJAARN Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000006334687 570393817 /nfs/dbraw/zinc/39/38/17/570393817.db2.gz JUSAMSGKNSILIS-DUVNUKRYSA-N 0 0 390.578 4.623 50 0 GJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000035530327 570394160 /nfs/dbraw/zinc/39/41/60/570394160.db2.gz YRIJTSLBDYFPPV-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@](=O)Cc1cccc(Cl)c1 ZINC000024829299 570394333 /nfs/dbraw/zinc/39/43/33/570394333.db2.gz FTWPSMBKSKPHQB-PWECECGKSA-N 0 0 377.937 4.913 50 0 GJAARN COc1ccc(Nc2ccc(NC(=S)NCCc3ccccc3)cc2)cc1 ZINC000004702290 570394850 /nfs/dbraw/zinc/39/48/50/570394850.db2.gz QTZAOYRSCIBOSO-UHFFFAOYSA-N 0 0 377.513 4.968 50 0 GJAARN CCCn1c(=O)[nH]c2cc(-c3noc([C@H](C)Oc4cccc(Cl)c4)n3)ccc21 ZINC000035553423 570395263 /nfs/dbraw/zinc/39/52/63/570395263.db2.gz YMIFJUDSTMAXFH-LBPRGKRZSA-N 0 0 398.850 4.583 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000032820695 570395690 /nfs/dbraw/zinc/39/56/90/570395690.db2.gz BVJVWSBEZQGSBT-KRWDZBQOSA-N 0 0 380.271 4.988 50 0 GJAARN C[C@@H](OCCCNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 ZINC000024838625 570395662 /nfs/dbraw/zinc/39/56/62/570395662.db2.gz LYMBOEZLSWAMCT-QGZVFWFLSA-N 0 0 382.529 4.903 50 0 GJAARN Cc1ccn2cc(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)nc2c1 ZINC000032891747 570395883 /nfs/dbraw/zinc/39/58/83/570395883.db2.gz XVDXEXKMFKVXOQ-UHFFFAOYSA-N 0 0 385.427 4.539 50 0 GJAARN CCOC(=O)c1sc(NC(=O)CCC2CCCCC2)c(C(=O)OCC)c1C ZINC000006350303 570395976 /nfs/dbraw/zinc/39/59/76/570395976.db2.gz UFDLHCAKLARFQQ-UHFFFAOYSA-N 0 0 395.521 4.709 50 0 GJAARN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4cccnc4)n3)o2)cc1 ZINC000035560874 570396866 /nfs/dbraw/zinc/39/68/66/570396866.db2.gz PLIGQUHIEQZHIB-UHFFFAOYSA-N 0 0 394.438 4.662 50 0 GJAARN COc1ccc(Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1F ZINC000005017402 570397133 /nfs/dbraw/zinc/39/71/33/570397133.db2.gz DOFWTBQKDUYBMV-UHFFFAOYSA-N 0 0 380.444 4.629 50 0 GJAARN COc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1OC ZINC000005019121 570397739 /nfs/dbraw/zinc/39/77/39/570397739.db2.gz NDRZCSBZHXGWLZ-UHFFFAOYSA-N 0 0 385.470 4.656 50 0 GJAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000005022469 570398605 /nfs/dbraw/zinc/39/86/05/570398605.db2.gz CQMNJJZJDPMLFN-OAHLLOKOSA-N 0 0 390.508 4.504 50 0 GJAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)C(=O)CC(C)(C)C3 ZINC000004735816 570399437 /nfs/dbraw/zinc/39/94/37/570399437.db2.gz NVJXMFRUVMWBGN-UHFFFAOYSA-N 0 0 383.469 4.697 50 0 GJAARN O=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000004739289 570400720 /nfs/dbraw/zinc/40/07/20/570400720.db2.gz AYSVNOZBEZBCCX-UHFFFAOYSA-N 0 0 388.030 4.742 50 0 GJAARN CC(C)(C)c1ccc(OCCCC(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000024976917 570400947 /nfs/dbraw/zinc/40/09/47/570400947.db2.gz RIBXQJFADPNXGJ-UHFFFAOYSA-N 0 0 393.487 4.510 50 0 GJAARN O=C(Cc1c2ccccc2[nH]c1Sc1cccc(F)c1)NCc1ccco1 ZINC000033116311 570401576 /nfs/dbraw/zinc/40/15/76/570401576.db2.gz OHWWUFPONSTBQQ-UHFFFAOYSA-N 0 0 380.444 4.910 50 0 GJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2nc(Nc3ccccc3)ccc2c1 ZINC000033250549 570403339 /nfs/dbraw/zinc/40/33/39/570403339.db2.gz MNNLOYZLAKZLGP-INIZCTEOSA-N 0 0 381.501 4.542 50 0 GJAARN COc1ccccc1NC1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 ZINC000035622233 570403908 /nfs/dbraw/zinc/40/39/08/570403908.db2.gz OABIMSRDWUNIAK-UHFFFAOYSA-N 0 0 383.883 4.596 50 0 GJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)c1 ZINC000005035328 570403946 /nfs/dbraw/zinc/40/39/46/570403946.db2.gz RUTBZUPQBXROKE-UHFFFAOYSA-N 0 0 378.428 4.822 50 0 GJAARN CCOc1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000004762568 570404385 /nfs/dbraw/zinc/40/43/85/570404385.db2.gz FNZFFLWYCFTWAW-UHFFFAOYSA-N 0 0 389.495 4.585 50 0 GJAARN Cc1nc(C)c(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)s1 ZINC000005040660 570404629 /nfs/dbraw/zinc/40/46/29/570404629.db2.gz DXDGSPSHZUPGJD-UHFFFAOYSA-N 0 0 396.493 4.746 50 0 GJAARN COc1cccc(-c2ccc(SCc3nc(-c4cccc(C)c4)no3)nn2)c1 ZINC000033262474 570405026 /nfs/dbraw/zinc/40/50/26/570405026.db2.gz ZYPMAOLCXFHLOE-UHFFFAOYSA-N 0 0 390.468 4.803 50 0 GJAARN O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)Cc1ccccc1-2 ZINC000004783790 570405403 /nfs/dbraw/zinc/40/54/03/570405403.db2.gz BEWWARYSHQZSGR-HSZRJFAPSA-N 0 0 375.493 4.614 50 0 GJAARN CCCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 ZINC000005047401 570405911 /nfs/dbraw/zinc/40/59/11/570405911.db2.gz LDUDNIPFTINHAF-UHFFFAOYSA-N 0 0 388.471 4.714 50 0 GJAARN O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(Cl)s1 ZINC000004788932 570405929 /nfs/dbraw/zinc/40/59/29/570405929.db2.gz CDAQGUXGMDECFV-UHFFFAOYSA-N 0 0 377.874 4.575 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc1OC ZINC000005048060 570406271 /nfs/dbraw/zinc/40/62/71/570406271.db2.gz TUSUHYLHFSUMQL-UHFFFAOYSA-N 0 0 381.453 4.885 50 0 GJAARN CCOc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000005051335 570406446 /nfs/dbraw/zinc/40/64/46/570406446.db2.gz GYGIAOCIMCXCGP-UHFFFAOYSA-N 0 0 379.481 4.679 50 0 GJAARN O=C(CN1c2ccccc2S[C@H](c2ccccc2)CC1=O)Nc1ccccc1 ZINC000005052822 570406515 /nfs/dbraw/zinc/40/65/15/570406515.db2.gz NBKSNRXCQWMOTB-NRFANRHFSA-N 0 0 388.492 4.895 50 0 GJAARN CC(C)c1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1-c1cccc(Cl)c1 ZINC000012982356 570406948 /nfs/dbraw/zinc/40/69/48/570406948.db2.gz GLYWFPFYXWGWHD-UHFFFAOYSA-N 0 0 383.835 4.630 50 0 GJAARN COc1cccc(-c2nc(CSCC(=O)NCc3ccc(C)cc3)c(C)o2)c1 ZINC000005056966 570407511 /nfs/dbraw/zinc/40/75/11/570407511.db2.gz RMHNHIZFWZFIBQ-UHFFFAOYSA-N 0 0 396.512 4.517 50 0 GJAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)NCc1ccc(C)cc1 ZINC000005057678 570407818 /nfs/dbraw/zinc/40/78/18/570407818.db2.gz VTQUJHORVOYJCW-UHFFFAOYSA-N 0 0 380.513 4.816 50 0 GJAARN COC[C@@H](C)NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000004820607 570408575 /nfs/dbraw/zinc/40/85/75/570408575.db2.gz YPMVDJPHFFYECO-QGZVFWFLSA-N 0 0 397.478 4.729 50 0 GJAARN CCCOc1ccccc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000029582200 570408820 /nfs/dbraw/zinc/40/88/20/570408820.db2.gz VJCJQYCEKACMHN-ZHACJKMWSA-N 0 0 375.900 4.942 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-n2ccnc2)nc1 ZINC000025249187 570409281 /nfs/dbraw/zinc/40/92/81/570409281.db2.gz QFEULDMRHFFWDQ-UHFFFAOYSA-N 0 0 390.830 4.965 50 0 GJAARN COc1cccc(CNc2ccc(NC(=O)c3cccc(C)c3)cc2)c1OC ZINC000004841699 570410686 /nfs/dbraw/zinc/41/06/86/570410686.db2.gz NNHJVVYKOOIOBJ-UHFFFAOYSA-N 0 0 376.456 4.877 50 0 GJAARN CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)c1 ZINC000004842026 570410917 /nfs/dbraw/zinc/41/09/17/570410917.db2.gz VIUWQIYFZVLYAY-UHFFFAOYSA-N 0 0 386.407 4.506 50 0 GJAARN Cc1cccc(Cc2c(C)nc(SCc3cc(F)ccc3F)n(C)c2=O)c1 ZINC000005074359 570411158 /nfs/dbraw/zinc/41/11/58/570411158.db2.gz CPLKQPFXJUBLEP-UHFFFAOYSA-N 0 0 386.467 4.558 50 0 GJAARN COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 ZINC000004843352 570411264 /nfs/dbraw/zinc/41/12/64/570411264.db2.gz VRTARDBAYNAIGR-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN O=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000004843367 570411303 /nfs/dbraw/zinc/41/13/03/570411303.db2.gz BBFVZWBXZREWHY-UHFFFAOYSA-N 0 0 388.536 4.941 50 0 GJAARN CCOc1ccccc1NC(=S)NC(=O)C=Cc1cccc2ccccc12 ZINC000035681273 570412667 /nfs/dbraw/zinc/41/26/67/570412667.db2.gz ZUUTUVIAAIMKFL-PFONDFGASA-N 0 0 376.481 4.765 50 0 GJAARN C[C@@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000006429103 570412703 /nfs/dbraw/zinc/41/27/03/570412703.db2.gz ROAONBIMZUFMDS-GCZGRYASSA-N 0 0 396.443 4.533 50 0 GJAARN COc1cc(Br)c(C[NH2+][C@H]2CCCc3ccccc32)cc1OC ZINC000025259684 570413065 /nfs/dbraw/zinc/41/30/65/570413065.db2.gz WAMGSOYNHBWRDX-KRWDZBQOSA-N 0 0 376.294 4.634 50 0 GJAARN CCOc1ccc(-c2nsc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 ZINC000035681823 570413313 /nfs/dbraw/zinc/41/33/13/570413313.db2.gz HPVSVYMWUFMSBL-UHFFFAOYSA-N 0 0 383.473 4.643 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000004880482 570414725 /nfs/dbraw/zinc/41/47/25/570414725.db2.gz DLVKKWVVFHDKLY-UHFFFAOYSA-N 0 0 390.418 4.595 50 0 GJAARN CC(=O)CCSC1=NN/C(=C2\C=Nc3ccccc32)N1c1ccc(Cl)cc1 ZINC000102899037 570416890 /nfs/dbraw/zinc/41/68/90/570416890.db2.gz CBQZPKRMYYNILD-ZPHPHTNESA-N 0 0 396.903 4.818 50 0 GJAARN Cc1ccc(Cl)cc1NC=C1N=C(c2ccccc2Br)OC1=O ZINC000006438839 570418541 /nfs/dbraw/zinc/41/85/41/570418541.db2.gz CKBMYBGTRFGGTE-DHDCSXOGSA-N 0 0 391.652 4.668 50 0 GJAARN CCc1nn2c(nc(CNc3ccc(-c4ccccc4)cc3Cl)cc2=O)s1 ZINC000025734146 570418894 /nfs/dbraw/zinc/41/88/94/570418894.db2.gz FXMAEIASLWOTBX-UHFFFAOYSA-N 0 0 396.903 4.646 50 0 GJAARN COc1cccc(NC(=O)c2c(C)nn(-c3cccc(C)c3)c2-n2cccc2)c1 ZINC000007005661 570420856 /nfs/dbraw/zinc/42/08/56/570420856.db2.gz FTCFJRCBNINJOL-UHFFFAOYSA-N 0 0 386.455 4.541 50 0 GJAARN CCCCCCOc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1 ZINC000004980510 570421273 /nfs/dbraw/zinc/42/12/73/570421273.db2.gz YRSMTFLVRYNVPP-UHFFFAOYSA-N 0 0 382.548 4.977 50 0 GJAARN CC(=O)Nc1cccc(-n2c(SCc3cccc(F)c3)nnc2C2CC2)c1 ZINC000026134038 570422654 /nfs/dbraw/zinc/42/26/54/570422654.db2.gz VVJAHBBPIAYIAM-UHFFFAOYSA-N 0 0 382.464 4.535 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cc1 ZINC000005131951 570423297 /nfs/dbraw/zinc/42/32/97/570423297.db2.gz NTZPPBBSMAHYMV-UHFFFAOYSA-N 0 0 388.448 4.858 50 0 GJAARN COc1ccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)CSC3)cc1 ZINC000006441604 570423692 /nfs/dbraw/zinc/42/36/92/570423692.db2.gz SUWRMVTZKGUBMO-UHFFFAOYSA-N 0 0 385.533 4.927 50 0 GJAARN COc1ccc(N2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 ZINC000005019175 570424233 /nfs/dbraw/zinc/42/42/33/570424233.db2.gz ZMJXVKVYSRESLY-XNTDXEJSSA-N 0 0 390.258 4.699 50 0 GJAARN Cn1c2ccccc2c2cc([C@H]3[NH2+][C@H](C(=O)[O-])Cc4c5ccccc5[nH]c43)ccc21 ZINC000001787665 570424669 /nfs/dbraw/zinc/42/46/69/570424669.db2.gz NGQNWWAYSMYTDE-NZQKXSOJSA-N 0 0 395.462 4.501 50 0 biogenic GJAARN COc1ccc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC ZINC000003431081 570425713 /nfs/dbraw/zinc/42/57/13/570425713.db2.gz JJBIMVBZRDWPEZ-UHFFFAOYSA-N 0 0 382.485 4.625 50 0 GJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2[C@H](C)CCC[C@H]2C)c1C ZINC000005053973 570426763 /nfs/dbraw/zinc/42/67/63/570426763.db2.gz HZEKQRONDLFFLR-IAGOWNOFSA-N 0 0 396.531 4.738 50 0 GJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(Cl)c4)csc3n2)cc1 ZINC000005146859 570427158 /nfs/dbraw/zinc/42/71/58/570427158.db2.gz ZTUCUYSJLXTXQS-UHFFFAOYSA-N 0 0 397.887 4.906 50 0 GJAARN CC(C)(C)[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2)C[C@@H](C(C)(C)C)C1 ZINC000239038454 570428011 /nfs/dbraw/zinc/42/80/11/570428011.db2.gz DFGGEBQYBYXKIC-PHZGNYQRSA-N 0 0 394.397 6.512 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)n1CC(C)C ZINC000005152043 570429110 /nfs/dbraw/zinc/42/91/10/570429110.db2.gz RHEZSBOYPMOAJK-CQSZACIVSA-N 0 0 395.956 4.937 50 0 GJAARN COc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000005152324 570429122 /nfs/dbraw/zinc/42/91/22/570429122.db2.gz IKTBQDYAPGJMCQ-UHFFFAOYSA-N 0 0 377.366 4.560 50 0 GJAARN Clc1ccc(-c2nnc3sc(COc4ccccc4)nn32)c(Cl)c1 ZINC000005100498 570429182 /nfs/dbraw/zinc/42/91/82/570429182.db2.gz WQLQTJHJODCINF-UHFFFAOYSA-N 0 0 377.256 4.739 50 0 GJAARN Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3\SC(=N)NC3=O)c2)c1 ZINC000005102277 570429571 /nfs/dbraw/zinc/42/95/71/570429571.db2.gz OQTXIWQYOILWFL-MOSHPQCFSA-N 0 0 396.512 4.715 50 0 GJAARN COC(CSc1ncnc2c3c4c(c(C(C)C)nc3sc21)CCC4)OC ZINC000005156758 570430468 /nfs/dbraw/zinc/43/04/68/570430468.db2.gz MFJGHEDUPLACTA-UHFFFAOYSA-N 0 0 389.546 4.563 50 0 GJAARN Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 ZINC000240444246 570430707 /nfs/dbraw/zinc/43/07/07/570430707.db2.gz FWWAAVPLFRUJKP-JENIJYKNSA-N 0 0 380.488 4.929 50 0 GJAARN COc1ccc(NC(=O)c2c3cc(C)ccc3nnc2-c2ccccc2)c(OC)c1 ZINC000032953290 570432837 /nfs/dbraw/zinc/43/28/37/570432837.db2.gz WZDBJKMXWSLIEB-UHFFFAOYSA-N 0 0 399.450 4.875 50 0 GJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000011751867 570432869 /nfs/dbraw/zinc/43/28/69/570432869.db2.gz WJPVMHCFMIPBEF-UHFFFAOYSA-N 0 0 384.388 4.514 50 0 GJAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1C ZINC000011760330 570433788 /nfs/dbraw/zinc/43/37/88/570433788.db2.gz NCVVSRNYOALEEL-LJQANCHMSA-N 0 0 390.483 4.528 50 0 GJAARN Cc1ccc(-n2c(=O)c3c[nH]nc3nc2SCc2ccccc2Cl)cc1C ZINC000005156382 570434372 /nfs/dbraw/zinc/43/43/72/570434372.db2.gz FWJMQGNFPPCIDU-UHFFFAOYSA-N 0 0 396.903 4.671 50 0 GJAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)C(C)C ZINC000027409001 570434501 /nfs/dbraw/zinc/43/45/01/570434501.db2.gz KPZPTUCRMSFCRI-JPYJTQIMSA-N 0 0 388.511 4.780 50 0 GJAARN O=S1(=O)N=C(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc21 ZINC000005338541 570434650 /nfs/dbraw/zinc/43/46/50/570434650.db2.gz LVDNBLFYXLKRFH-UHFFFAOYSA-N 0 0 384.844 4.693 50 0 GJAARN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1C ZINC000027581071 570436436 /nfs/dbraw/zinc/43/64/36/570436436.db2.gz KRXMHIIUGYWLGG-UHFFFAOYSA-N 0 0 380.875 4.964 50 0 GJAARN Cc1cccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c1 ZINC000005156534 570436545 /nfs/dbraw/zinc/43/65/45/570436545.db2.gz QHVLXLOOYDETSS-UHFFFAOYSA-N 0 0 395.253 4.745 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000026741444 570436608 /nfs/dbraw/zinc/43/66/08/570436608.db2.gz CNGYVULDENODEZ-KCQSEKJDSA-N 0 0 391.490 4.776 50 0 GJAARN CC(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 ZINC000027664329 570439685 /nfs/dbraw/zinc/43/96/85/570439685.db2.gz BDPQHQDPQXKJQE-UHFFFAOYSA-N 0 0 378.447 4.956 50 0 GJAARN O=C(Cc1ccccc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000005451944 570440328 /nfs/dbraw/zinc/44/03/28/570440328.db2.gz JHHNPGJMWOAGOV-UHFFFAOYSA-N 0 0 375.472 4.641 50 0 GJAARN CCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000248376071 570441530 /nfs/dbraw/zinc/44/15/30/570441530.db2.gz BXJRUGUVBIWBJI-QDUCJZRSSA-N 0 0 392.543 4.729 50 0 GJAARN COC(=O)CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000005481518 570441698 /nfs/dbraw/zinc/44/16/98/570441698.db2.gz SOENHQITFWRXDH-UHFFFAOYSA-N 0 0 394.562 4.771 50 0 GJAARN Cc1ccc2cc3c(NC(=O)c4ccc(F)cc4)nn(CC(C)C)c3nc2c1 ZINC000005158131 570442716 /nfs/dbraw/zinc/44/27/16/570442716.db2.gz LWSFVDIJEOWFFQ-UHFFFAOYSA-N 0 0 376.435 4.940 50 0 GJAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2cccs2)n1 ZINC000027795157 570443399 /nfs/dbraw/zinc/44/33/99/570443399.db2.gz PFYZHNZWPVOEQM-UHFFFAOYSA-N 0 0 393.873 4.653 50 0 GJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)C(C)(C)C)o1 ZINC000035765785 570443841 /nfs/dbraw/zinc/44/38/41/570443841.db2.gz UOYTYCCTZVQNBU-UHFFFAOYSA-N 0 0 398.547 4.648 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000027839004 570444439 /nfs/dbraw/zinc/44/44/39/570444439.db2.gz BKGXRKSVNNYPQC-JKSUJKDBSA-N 0 0 396.409 4.721 50 0 GJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@@H](c2ccccc2)C1 ZINC000027909492 570445251 /nfs/dbraw/zinc/44/52/51/570445251.db2.gz NVJQSDQGVAKMSQ-LJQANCHMSA-N 0 0 398.915 4.606 50 0 GJAARN COc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 ZINC000005573242 570446766 /nfs/dbraw/zinc/44/67/66/570446766.db2.gz ICAPHTFPJNOLKH-UHFFFAOYSA-N 0 0 391.283 4.619 50 0 GJAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(OC(C)C)cc4)no3)CC2=O)c(C)c1 ZINC000044435387 570446878 /nfs/dbraw/zinc/44/68/78/570446878.db2.gz WRFONXJTQQPUIB-GOSISDBHSA-N 0 0 391.471 4.661 50 0 GJAARN Cc1ccccc1OCc1nn(CN2CCCCC2)c(=S)n1-c1ccccc1 ZINC000005588618 570447902 /nfs/dbraw/zinc/44/79/02/570447902.db2.gz KBOLQVGOOKUVQI-UHFFFAOYSA-N 0 0 394.544 4.734 50 0 GJAARN CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F ZINC000001927013 570450070 /nfs/dbraw/zinc/45/00/70/570450070.db2.gz FPUHECHDLRPSFU-QFIPXVFZSA-N 0 0 387.458 4.644 50 0 GJAARN Cc1cccc(-n2c(S[C@@H]3CCCCCC3=O)nc3ccccc3c2=O)c1 ZINC000028188256 570451917 /nfs/dbraw/zinc/45/19/17/570451917.db2.gz MDTUDBOGFSCFBE-HXUWFJFHSA-N 0 0 378.497 4.688 50 0 GJAARN CCN(CC)C(=O)[C@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1Cl ZINC000012000397 570453450 /nfs/dbraw/zinc/45/34/50/570453450.db2.gz ZEWXCXOJRUFOFC-AWEZNQCLSA-N 0 0 399.874 4.749 50 0 GJAARN Cc1cccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)c1 ZINC000028404663 570459242 /nfs/dbraw/zinc/45/92/42/570459242.db2.gz HFSNEIYLNHOYDK-CQSZACIVSA-N 0 0 385.851 4.721 50 0 GJAARN O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 ZINC000028526976 570461192 /nfs/dbraw/zinc/46/11/92/570461192.db2.gz QIANUDADWJULCZ-UHFFFAOYSA-N 0 0 395.894 4.897 50 0 GJAARN FC(F)(F)[C@@H]1CCCN(Cn2nc(NC3CCCCC3)sc2=S)C1 ZINC000028710010 570463063 /nfs/dbraw/zinc/46/30/63/570463063.db2.gz OEIAQLHSMSIKHP-LLVKDONJSA-N 0 0 380.505 4.650 50 0 GJAARN OCc1cnc(SCc2cccc(F)c2)n1Cc1cccc(C(F)(F)F)c1 ZINC000035841299 570463703 /nfs/dbraw/zinc/46/37/03/570463703.db2.gz GAUFSNCPPCQFQC-UHFFFAOYSA-N 0 0 396.409 4.874 50 0 GJAARN COc1ccccc1Cn1c(C(=O)NCCc2ccccc2)cc2ccsc21 ZINC000035843923 570464521 /nfs/dbraw/zinc/46/45/21/570464521.db2.gz DDEAVTFEMDOIRN-UHFFFAOYSA-N 0 0 390.508 4.732 50 0 GJAARN CCOCCO[C@@H](C)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 ZINC000072280648 570464780 /nfs/dbraw/zinc/46/47/80/570464780.db2.gz QGLGJXBAORWQEC-AWEZNQCLSA-N 0 0 379.909 4.871 50 0 GJAARN O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCc1c[nH]c2ccccc12 ZINC000006062621 570465162 /nfs/dbraw/zinc/46/51/62/570465162.db2.gz WVXBCWGSQQPBGC-UHFFFAOYSA-N 0 0 396.849 4.661 50 0 GJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 ZINC000006522526 570465685 /nfs/dbraw/zinc/46/56/85/570465685.db2.gz DUOGESODBAWHES-VQIMIIECSA-N 0 0 394.540 4.634 50 0 GJAARN Cc1nn2c(-c3cccc(NC(=O)c4ccccc4)c3)nnc2c2ccccc12 ZINC000006527680 570466144 /nfs/dbraw/zinc/46/61/44/570466144.db2.gz MVLPQPXVWSLBMN-UHFFFAOYSA-N 0 0 379.423 4.505 50 0 GJAARN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2 ZINC000005163745 570468552 /nfs/dbraw/zinc/46/85/52/570468552.db2.gz DSZLDNLSRMILDY-FQFCXHBISA-N 0 0 392.502 4.895 50 0 GJAARN COc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1OC ZINC000006540554 570471474 /nfs/dbraw/zinc/47/14/74/570471474.db2.gz GHSJTEXJKSCMKJ-GOSISDBHSA-N 0 0 377.868 4.744 50 0 GJAARN Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000005164819 570473594 /nfs/dbraw/zinc/47/35/94/570473594.db2.gz AVBHSCRAVLHHQK-QFIPXVFZSA-N 0 0 396.446 4.863 50 0 GJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000006551119 570475143 /nfs/dbraw/zinc/47/51/43/570475143.db2.gz PGXQAOJKTOGVHE-UHFFFAOYSA-N 0 0 384.479 4.652 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2N2CCCCC2)sc2nc(C)nc(C)c12 ZINC000029573002 570476365 /nfs/dbraw/zinc/47/63/65/570476365.db2.gz CVHPRUDZRSMNDF-UHFFFAOYSA-N 0 0 380.517 4.859 50 0 GJAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)o2)cc1 ZINC000169293862 570476620 /nfs/dbraw/zinc/47/66/20/570476620.db2.gz XLVUKCDHZGQRQW-QLVVLBQJSA-N 0 0 387.545 4.591 50 0 GJAARN C[C@@H](SCc1cccc2cccnc21)c1nc(N)nc(Nc2ccccc2)n1 ZINC000029678747 570478121 /nfs/dbraw/zinc/47/81/21/570478121.db2.gz UCKMTSRKBZRPRO-CQSZACIVSA-N 0 0 388.500 4.740 50 0 GJAARN Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccccc2)n1 ZINC000006579376 570481337 /nfs/dbraw/zinc/48/13/37/570481337.db2.gz YDQDSFLYAJVFMG-UHFFFAOYSA-N 0 0 394.496 4.909 50 0 GJAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NC3CCCC3)cc2)ncn1 ZINC000064568542 570483679 /nfs/dbraw/zinc/48/36/79/570483679.db2.gz GLVHYKJDAHSZLT-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)[C@@H]1C ZINC000006586344 570484000 /nfs/dbraw/zinc/48/40/00/570484000.db2.gz ZZFHFFUXAZDPBV-LZJOCLMNSA-N 0 0 381.472 4.577 50 0 GJAARN O=C(Nc1cc(Cl)ccc1Cl)c1cccc(I)c1 ZINC000000822925 570485167 /nfs/dbraw/zinc/48/51/67/570485167.db2.gz IRYMWJSLOMRSTP-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN Cc1cccc(-c2cncc(C(=O)Nc3ccc(C)nc3Br)c2)c1 ZINC000128235122 570485684 /nfs/dbraw/zinc/48/56/84/570485684.db2.gz WBZCMSQBDAGBHM-UHFFFAOYSA-N 0 0 382.261 4.775 50 0 GJAARN CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C(C)=O)C1CC1 ZINC000035975960 570490588 /nfs/dbraw/zinc/49/05/88/570490588.db2.gz YVAABBZVSCTCAP-UHFFFAOYSA-N 0 0 393.462 4.877 50 0 GJAARN CCCc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000005170843 570491662 /nfs/dbraw/zinc/49/16/62/570491662.db2.gz OULKWLVRMGESMY-UHFFFAOYSA-N 0 0 398.484 4.681 50 0 GJAARN Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 ZINC000006759373 570492431 /nfs/dbraw/zinc/49/24/31/570492431.db2.gz HKGFYEXNNFEUQS-GDBMZVCRSA-N 0 0 390.365 4.697 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)o1 ZINC000005173082 570492510 /nfs/dbraw/zinc/49/25/10/570492510.db2.gz VIJCRYWPNFYBAN-UHFFFAOYSA-N 0 0 377.469 4.774 50 0 GJAARN CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(CC)CC)c3N2)cc1 ZINC000006759779 570492474 /nfs/dbraw/zinc/49/24/74/570492474.db2.gz VNEAOSQSBMZIFD-SJORKVTESA-N 0 0 394.441 4.588 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(SCc2cscn2)cc1 ZINC000030679204 570493904 /nfs/dbraw/zinc/49/39/04/570493904.db2.gz BZMSLQSMAKLUSU-UHFFFAOYSA-N 0 0 398.509 4.849 50 0 GJAARN CCc1ccc(-c2nc(S[C@H](C)C(=O)NCCC3=CCCCC3)n[nH]2)cc1 ZINC000005180051 570495018 /nfs/dbraw/zinc/49/50/18/570495018.db2.gz QYBNRIOLSRETQB-OAHLLOKOSA-N 0 0 384.549 4.521 50 0 GJAARN FC(F)(F)c1nc2c(cnn2Cc2ccccc2)c(NCc2ccccc2)n1 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/nfs/dbraw/zinc/56/00/31/570560031.db2.gz AWHLGHILXIXPLL-UHFFFAOYSA-N 0 0 380.835 4.949 50 0 GJAARN CCOc1ccccc1CNc1ncnc2c(-c3ccc(Cl)cc3)noc21 ZINC000064835116 570560303 /nfs/dbraw/zinc/56/03/03/570560303.db2.gz OFWMOKFLMPZPAG-UHFFFAOYSA-N 0 0 380.835 4.949 50 0 GJAARN CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000009668747 570560864 /nfs/dbraw/zinc/56/08/64/570560864.db2.gz XRZWEOHZULTBDQ-DTQAZKPQSA-N 0 0 388.442 4.750 50 0 GJAARN COc1cccc(CNc2nc3c(-c4ccc(C)cc4)nnn3c3ccccc32)c1 ZINC000006738887 570561138 /nfs/dbraw/zinc/56/11/38/570561138.db2.gz AVUDLTVVZKPERU-UHFFFAOYSA-N 0 0 395.466 4.874 50 0 GJAARN CC(C)Nc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12 ZINC000006738907 570561178 /nfs/dbraw/zinc/56/11/78/570561178.db2.gz ABBWFQZPEXLJCR-UHFFFAOYSA-N 0 0 382.265 4.527 50 0 GJAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000005359414 570563167 /nfs/dbraw/zinc/56/31/67/570563167.db2.gz HBHDJDWQVPFZBP-NSHDSACASA-N 0 0 388.493 4.600 50 0 GJAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1 ZINC000032975017 570563607 /nfs/dbraw/zinc/56/36/07/570563607.db2.gz UZCPTRAANQBYEI-UHFFFAOYSA-N 0 0 381.479 4.788 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(c1ccccc1)C(=O)C2 ZINC000006742743 570564759 /nfs/dbraw/zinc/56/47/59/570564759.db2.gz PUJWJHQVBBDRBG-QHCPKHFHSA-N 0 0 377.415 4.522 50 0 GJAARN O=C(Nc1ccccc1F)c1nc(SCc2ccccc2F)ncc1Cl ZINC000006748047 570566252 /nfs/dbraw/zinc/56/62/52/570566252.db2.gz OVWJHTQIBAHZGV-UHFFFAOYSA-N 0 0 391.830 4.953 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000006747995 570566933 /nfs/dbraw/zinc/56/69/33/570566933.db2.gz AXONJGNRSZWHOH-UHFFFAOYSA-N 0 0 391.830 4.953 50 0 GJAARN Cc1ccc(-c2cn3c4ccc(C(=O)NCc5ccccn5)cc4sc3n2)cc1 ZINC000006748636 570567029 /nfs/dbraw/zinc/56/70/29/570567029.db2.gz BVCPYVHMQGNDCV-UHFFFAOYSA-N 0 0 398.491 4.849 50 0 GJAARN CCCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OCC)c2O3)c1 ZINC000006748537 570567392 /nfs/dbraw/zinc/56/73/92/570567392.db2.gz UMDBZDCSUGTNLA-UHFFFAOYSA-N 0 0 378.428 4.733 50 0 GJAARN Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064858451 570567457 /nfs/dbraw/zinc/56/74/57/570567457.db2.gz MIUCSZJZOWFTKS-UHFFFAOYSA-N 0 0 391.902 4.996 50 0 biogenic GJAARN Clc1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)cc1Cl ZINC000032975332 570568136 /nfs/dbraw/zinc/56/81/36/570568136.db2.gz LRYGLTJRSIVXAJ-UHFFFAOYSA-N 0 0 376.243 4.547 50 0 GJAARN COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(SC)cc2)c1 ZINC000040287134 570568242 /nfs/dbraw/zinc/56/82/42/570568242.db2.gz KSQGJRNFULQBIJ-MRXNPFEDSA-N 0 0 395.484 4.735 50 0 GJAARN O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000032975199 570569973 /nfs/dbraw/zinc/56/99/73/570569973.db2.gz ZYTFVKXUVPFZMH-UHFFFAOYSA-N 0 0 388.899 4.612 50 0 GJAARN CN(Cc1ccco1)C(=O)c1ccccc1CSc1nc2ccccc2o1 ZINC000032976340 570570382 /nfs/dbraw/zinc/57/03/82/570570382.db2.gz FJHLZKDTXLFJRA-UHFFFAOYSA-N 0 0 378.453 4.985 50 0 GJAARN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000010469515 570571133 /nfs/dbraw/zinc/57/11/33/570571133.db2.gz CPOOIMNUDWAHLB-HTAPYJJXSA-N 0 0 383.488 4.774 50 0 GJAARN O=C(CCc1ccccc1Cl)Nc1ccccc1I ZINC000032980015 570571655 /nfs/dbraw/zinc/57/16/55/570571655.db2.gz USHVMKMONVVUTB-UHFFFAOYSA-N 0 0 385.632 4.516 50 0 GJAARN COc1ccccc1CNC(=O)COc1cc(-c2ccccc2)nc2ccccc21 ZINC000032985642 570573352 /nfs/dbraw/zinc/57/33/52/570573352.db2.gz RTMTZQKCXXMNRF-UHFFFAOYSA-N 0 0 398.462 4.606 50 0 GJAARN CCN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000036226682 570575614 /nfs/dbraw/zinc/57/56/14/570575614.db2.gz NJGWMQVLEIRNBM-QHCPKHFHSA-N 0 0 386.495 4.597 50 0 GJAARN CC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)Nc2ccccc2Cl)CC1 ZINC000006768953 570579074 /nfs/dbraw/zinc/57/90/74/570579074.db2.gz WNAGRFSTFBXFGN-UHFFFAOYSA-N 0 0 399.922 4.693 50 0 GJAARN COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000036247408 570581665 /nfs/dbraw/zinc/58/16/65/570581665.db2.gz NVWVULKOEHGALV-UHFFFAOYSA-N 0 0 387.888 4.744 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCc3ccccc3)c12 ZINC000006772786 570583151 /nfs/dbraw/zinc/58/31/51/570583151.db2.gz HHNJEZYIHKZSJA-UHFFFAOYSA-N 0 0 390.874 4.621 50 0 GJAARN COc1ccc(NC(=O)c2c(C)cc(C)n2Cc2ccc(C)cc2)cc1OC ZINC000006774326 570583577 /nfs/dbraw/zinc/58/35/77/570583577.db2.gz HKZYKJPKTZZPNO-UHFFFAOYSA-N 0 0 378.472 4.731 50 0 GJAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2c(C)cccc2C)C1 ZINC000011814711 570583848 /nfs/dbraw/zinc/58/38/48/570583848.db2.gz KXAMICYJTCLYJB-XMMPIXPASA-N 0 0 394.515 4.723 50 0 GJAARN CC(C)CNC(=O)CCN(c1nc(C2CC2)nc2cc(Cl)ccc21)C(C)C ZINC000006773833 570584495 /nfs/dbraw/zinc/58/44/95/570584495.db2.gz AZDRQAWNUQBNMH-UHFFFAOYSA-N 0 0 388.943 4.538 50 0 GJAARN Cc1ccc2nc(-c3ccccc3OS(=O)(=O)c3ccc(F)cc3)oc2c1 ZINC000006775992 570584898 /nfs/dbraw/zinc/58/48/98/570584898.db2.gz NJYRPESPLFMRCM-UHFFFAOYSA-N 0 0 383.400 4.710 50 0 GJAARN Cc1cc2sc(NC(=O)[C@@H](NC(=O)c3ccccc3C)C(C)C)nc2c(C)c1 ZINC000006779461 570585831 /nfs/dbraw/zinc/58/58/31/570585831.db2.gz XSKGJLISFUWFSH-SFHVURJKSA-N 0 0 395.528 4.615 50 0 GJAARN Cc1ccccc1[C@H](CC(=O)N(Cc1nccn1C)C(C)C)c1ccccc1 ZINC000011820007 570586090 /nfs/dbraw/zinc/58/60/90/570586090.db2.gz WCXWEUWKEBRLDV-JOCHJYFZSA-N 0 0 375.516 4.688 50 0 GJAARN CCc1ccc(CN2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)o1 ZINC000011821320 570586238 /nfs/dbraw/zinc/58/62/38/570586238.db2.gz WLKOSXVGTXCOAE-OAQYLSRUSA-N 0 0 391.471 4.632 50 0 GJAARN Cc1cc(C)c2c(n1)sc(C(=O)N(C)Cc1ccccc1)c2-n1cccc1 ZINC000006780424 570587033 /nfs/dbraw/zinc/58/70/33/570587033.db2.gz QCCRZRNJXNHMAX-UHFFFAOYSA-N 0 0 375.497 4.976 50 0 GJAARN Cc1csc(NC(=O)CSc2ccc(-c3cc(C)c(C)cc3C)nn2)n1 ZINC000005411948 570588454 /nfs/dbraw/zinc/58/84/54/570588454.db2.gz DPJHSKLBDJORLH-UHFFFAOYSA-N 0 0 384.530 4.565 50 0 GJAARN Cc1c(NC(=O)Cc2ccc(F)cc2)cccc1-c1nc2cccnc2s1 ZINC000006781387 570589015 /nfs/dbraw/zinc/58/90/15/570589015.db2.gz TWSDXLFRRAGGQF-UHFFFAOYSA-N 0 0 377.444 4.987 50 0 GJAARN COc1ccc([C@H](NC(=O)c2oc3c(cccc3F)c2C)c2ccncc2)cc1 ZINC000011873457 570589204 /nfs/dbraw/zinc/58/92/04/570589204.db2.gz MTFPAXBCHLZYCR-FQEVSTJZSA-N 0 0 390.414 4.803 50 0 GJAARN CCN(Cc1nc(-c2ccccc2)no1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000005423653 570589261 /nfs/dbraw/zinc/58/92/61/570589261.db2.gz FEEXCWGFGPAUGI-UHFFFAOYSA-N 0 0 397.478 4.917 50 0 GJAARN O=C(NCc1noc(-c2cccs2)n1)N(c1ccccc1)c1ccccc1 ZINC000225572451 570589765 /nfs/dbraw/zinc/58/97/65/570589765.db2.gz MJXRUUNJUNUKAN-UHFFFAOYSA-N 0 0 376.441 4.846 50 0 GJAARN Fc1cccc(OCc2noc([C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000225572549 570589816 /nfs/dbraw/zinc/58/98/16/570589816.db2.gz YCCWWDFFBFMJNF-KBXCAEBGSA-N 0 0 392.789 4.825 50 0 GJAARN C[C@H]1c2cc3c(cc2CCN1C(=O)c1cc(Cl)cc(Cl)c1)OCCCO3 ZINC000005425919 570590247 /nfs/dbraw/zinc/59/02/47/570590247.db2.gz UXGDUAYZFFZANA-LBPRGKRZSA-N 0 0 392.282 4.914 50 0 GJAARN c1ccc(-c2ccc(-c3nn4c(CN5CCCCC5)nnc4s3)cc2)cc1 ZINC000039389223 570590699 /nfs/dbraw/zinc/59/06/99/570590699.db2.gz HRJGSNUXEMWQNE-UHFFFAOYSA-N 0 0 375.501 4.506 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccccc3c2C)cc1 ZINC000011913980 570592389 /nfs/dbraw/zinc/59/23/89/570592389.db2.gz YJBHEBAKKBPZPQ-UHFFFAOYSA-N 0 0 377.400 4.832 50 0 GJAARN Cc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011933058 570592771 /nfs/dbraw/zinc/59/27/71/570592771.db2.gz QLZJVVROGIOVES-IBGZPJMESA-N 0 0 380.488 4.909 50 0 GJAARN CCCCc1nc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c[nH]1 ZINC000011935156 570593404 /nfs/dbraw/zinc/59/34/04/570593404.db2.gz FYGLDLMVLJEJLX-MRXNPFEDSA-N 0 0 393.453 4.866 50 0 GJAARN CCOP(=O)(OCC)[C@H](NC(=S)Nc1ccccc1)c1ccccc1 ZINC000003195087 570595902 /nfs/dbraw/zinc/59/59/02/570595902.db2.gz WRYROEXJSLVJRF-KRWDZBQOSA-N 0 0 378.434 4.938 50 0 GJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2cccnc2)N1 ZINC000005447021 570596523 /nfs/dbraw/zinc/59/65/23/570596523.db2.gz AYSVPOOUSGCNNT-HXUWFJFHSA-N 0 0 384.464 4.614 50 0 GJAARN CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Cc1cccc2ccccc21 ZINC000005452198 570597715 /nfs/dbraw/zinc/59/77/15/570597715.db2.gz NGWKEDCNJHROSS-UHFFFAOYSA-N 0 0 385.467 4.789 50 0 GJAARN C=C1C(NCc2ccc(Cl)cc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006797343 570597860 /nfs/dbraw/zinc/59/78/60/570597860.db2.gz KKROBQZIUDMRRO-UHFFFAOYSA-N 0 0 388.920 4.726 50 0 GJAARN CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799336 570599244 /nfs/dbraw/zinc/59/92/44/570599244.db2.gz MKMXQNVTEXGGJP-RRQGHBQHSA-N 0 0 397.544 4.566 50 0 GJAARN CCc1nn2c(nnc3c2ccn(CCC2=CCCCC2)c3=O)c1-c1ccccc1 ZINC000040388349 570599393 /nfs/dbraw/zinc/59/93/93/570599393.db2.gz DXEHQMCPGFZLNG-UHFFFAOYSA-N 0 0 399.498 4.559 50 0 GJAARN CC[C@H](C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000005455047 570600784 /nfs/dbraw/zinc/60/07/84/570600784.db2.gz VQVTVPLYBOPDBM-DLBZAZTESA-N 0 0 377.488 4.612 50 0 GJAARN Cc1ccccc1-c1noc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)n1 ZINC000064949974 570604572 /nfs/dbraw/zinc/60/45/72/570604572.db2.gz LQCMSMUVSPCPJN-UHFFFAOYSA-N 0 0 398.397 4.550 50 0 GJAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000003370706 570604817 /nfs/dbraw/zinc/60/48/17/570604817.db2.gz AQFGBWWCCWSEKS-FXAWDEMLSA-N 0 0 394.515 4.899 50 0 GJAARN CSc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1 ZINC000006807122 570607531 /nfs/dbraw/zinc/60/75/31/570607531.db2.gz RPZDLXDHNNJIMW-UHFFFAOYSA-N 0 0 388.496 4.946 50 0 GJAARN CCCCSc1nc2sc3c(c2c(N[C@@H](CC)CO)n1)CC(C)(C)OC3 ZINC000005477683 570607708 /nfs/dbraw/zinc/60/77/08/570607708.db2.gz QMPAUPFKLPTXEZ-LBPRGKRZSA-N 0 0 395.594 4.618 50 0 GJAARN COc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1 ZINC000005478579 570608549 /nfs/dbraw/zinc/60/85/49/570608549.db2.gz UQOBMYBPWXOKBY-HXUWFJFHSA-N 0 0 389.426 4.653 50 0 GJAARN Brc1ccc(OCCSc2nnc(-c3ccccc3)o2)cc1 ZINC000003378957 570609029 /nfs/dbraw/zinc/60/90/29/570609029.db2.gz UDKGBSVFLXLXKL-UHFFFAOYSA-N 0 0 377.263 4.670 50 0 GJAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)NCCc4ccccc4)oc3ccc2O1 ZINC000006808102 570609851 /nfs/dbraw/zinc/60/98/51/570609851.db2.gz ASBDZCFTQVFBOD-DEOSSOPVSA-N 0 0 391.467 4.848 50 0 GJAARN COc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C ZINC000006809073 570610982 /nfs/dbraw/zinc/61/09/82/570610982.db2.gz HXSOSCQSVQKCMZ-UHFFFAOYSA-N 0 0 394.519 4.691 50 0 GJAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1nonc1-c1ccccc1 ZINC000005484108 570612555 /nfs/dbraw/zinc/61/25/55/570612555.db2.gz VCUVOXLGXNLMKB-UHFFFAOYSA-N 0 0 398.216 4.806 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)sc2c1 ZINC000006811439 570616094 /nfs/dbraw/zinc/61/60/94/570616094.db2.gz BDTJDXBHPWPPOE-UHFFFAOYSA-N 0 0 394.452 4.671 50 0 GJAARN CCCCc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 ZINC000005507304 570616107 /nfs/dbraw/zinc/61/61/07/570616107.db2.gz NQKGBMXLJAHZTM-UHFFFAOYSA-N 0 0 376.456 4.629 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 ZINC000032999415 570616904 /nfs/dbraw/zinc/61/69/04/570616904.db2.gz LYPYOQPGWGPARH-CQSZACIVSA-N 0 0 376.456 4.722 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000032999416 570616907 /nfs/dbraw/zinc/61/69/07/570616907.db2.gz LYPYOQPGWGPARH-AWEZNQCLSA-N 0 0 376.456 4.722 50 0 GJAARN Cc1cccc(-c2nc3cc(NC(=O)COc4ccc(F)cc4)ccc3o2)c1 ZINC000033003968 570618141 /nfs/dbraw/zinc/61/81/41/570618141.db2.gz NNBWYHRBUAONRU-UHFFFAOYSA-N 0 0 376.387 4.960 50 0 GJAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(C)cc4)cc3o2)cc1 ZINC000064968419 570619380 /nfs/dbraw/zinc/61/93/80/570619380.db2.gz JBRCZCPCMHZETM-UHFFFAOYSA-N 0 0 386.451 4.666 50 0 GJAARN COc1cc(NC(=O)Nc2ccccc2Cl)cc2sc(NC(C)=O)nc21 ZINC000033008504 570620028 /nfs/dbraw/zinc/62/00/28/570620028.db2.gz WTGNNBZWYZYJBC-UHFFFAOYSA-N 0 0 390.852 4.561 50 0 GJAARN Cc1cc2nc3sc(C(=O)Nc4cc(Cl)ccc4C)cc(=O)n3c2cc1C ZINC000033008937 570620463 /nfs/dbraw/zinc/62/04/63/570620463.db2.gz OYOQHCKPQPGGSF-UHFFFAOYSA-N 0 0 397.887 4.740 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1cc2sc(NC(=O)CC)nc2c(C)c1 ZINC000033008290 570621343 /nfs/dbraw/zinc/62/13/43/570621343.db2.gz JQYNKTMVYPTUTP-UHFFFAOYSA-N 0 0 398.488 4.996 50 0 GJAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000004591785 570621898 /nfs/dbraw/zinc/62/18/98/570621898.db2.gz RGSJHKZRCLVYAJ-LJQANCHMSA-N 0 0 392.459 4.677 50 0 GJAARN COc1ccc(-c2nn(CNc3cccc(Cl)c3)c(=S)o2)cc1OC ZINC000005527357 570625349 /nfs/dbraw/zinc/62/53/49/570625349.db2.gz LOBKJFIGTAXLKK-UHFFFAOYSA-N 0 0 377.853 4.613 50 0 GJAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 ZINC000005533724 570627795 /nfs/dbraw/zinc/62/77/95/570627795.db2.gz GNTXSKDHPVCCEV-GFCCVEGCSA-N 0 0 378.501 4.863 50 0 GJAARN Cc1ccc(CNC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 ZINC000033012870 570627910 /nfs/dbraw/zinc/62/79/10/570627910.db2.gz FPHWYXQDGXRWCK-UHFFFAOYSA-N 0 0 399.450 4.554 50 0 GJAARN Clc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347442 570628708 /nfs/dbraw/zinc/62/87/08/570628708.db2.gz WIJYWKUMYXNWMJ-HSZRJFAPSA-N 0 0 394.902 4.908 50 0 GJAARN O=C(N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1)N1CCC2(CCC2)C1 ZINC000119368229 570629085 /nfs/dbraw/zinc/62/90/85/570629085.db2.gz VQUUIUWOXBDPCO-SFHVURJKSA-N 0 0 389.421 4.775 50 0 GJAARN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1OC ZINC000036347621 570629665 /nfs/dbraw/zinc/62/96/65/570629665.db2.gz RGLPOYZDSJQIDC-JOCHJYFZSA-N 0 0 380.463 4.640 50 0 GJAARN Fc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)c(Cl)c3)SC2)cc1 ZINC000004598364 570630211 /nfs/dbraw/zinc/63/02/11/570630211.db2.gz NKDFWWZSZFYAGW-UHFFFAOYSA-N 0 0 379.247 4.749 50 0 GJAARN O=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 ZINC000005545726 570630440 /nfs/dbraw/zinc/63/04/40/570630440.db2.gz ILEAEUHAYROCCJ-UHFFFAOYSA-N 0 0 375.859 4.668 50 0 GJAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(C)cc3)ccc12 ZINC000005546974 570630833 /nfs/dbraw/zinc/63/08/33/570630833.db2.gz BUNVXQWBXHHRNN-UHFFFAOYSA-N 0 0 379.456 4.770 50 0 GJAARN COc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000005549575 570631290 /nfs/dbraw/zinc/63/12/90/570631290.db2.gz YNKTYVNXQXBEFX-UHFFFAOYSA-N 0 0 375.453 4.543 50 0 GJAARN C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000004767836 570632576 /nfs/dbraw/zinc/63/25/76/570632576.db2.gz MXUCHKUPSQNSJH-NSHDSACASA-N 0 0 395.883 4.994 50 0 GJAARN Cc1cccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)c1 ZINC000064989865 570632635 /nfs/dbraw/zinc/63/26/35/570632635.db2.gz NCBNPMJGBMSKPX-SFHVURJKSA-N 0 0 384.479 4.516 50 0 GJAARN O=C(N[C@@H](CCO)c1cccc(F)c1)OCC1c2ccccc2-c2ccccc21 ZINC000044198178 570632648 /nfs/dbraw/zinc/63/26/48/570632648.db2.gz XXOROXCXAVIXNU-QHCPKHFHSA-N 0 0 391.442 4.788 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c1 ZINC000036353217 570634768 /nfs/dbraw/zinc/63/47/68/570634768.db2.gz OIQYTALZBPBMSH-INIZCTEOSA-N 0 0 383.835 4.667 50 0 GJAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)C(C)C)c2)n1 ZINC000006833045 570636507 /nfs/dbraw/zinc/63/65/07/570636507.db2.gz PCWUCOQBTMNQRD-UHFFFAOYSA-N 0 0 396.466 4.703 50 0 GJAARN COc1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2)cc1OC ZINC000036357054 570637164 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CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCC(C)C)C3)s1 ZINC000012329149 570644106 /nfs/dbraw/zinc/64/41/06/570644106.db2.gz XRAXCGGNYAJMJX-INIZCTEOSA-N 0 0 389.492 4.613 50 0 GJAARN O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 ZINC000036365270 570644130 /nfs/dbraw/zinc/64/41/30/570644130.db2.gz SOIOWUZAPSHFQC-OAQYLSRUSA-N 0 0 392.474 4.551 50 0 GJAARN COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(F)cc1 ZINC000033409965 570645767 /nfs/dbraw/zinc/64/57/67/570645767.db2.gz DLDYIIDVTPRSFS-UNOMPAQXSA-N 0 0 375.399 4.906 50 0 GJAARN O=C1c2cc(OC(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000045348296 570646985 /nfs/dbraw/zinc/64/69/85/570646985.db2.gz SPBGRXOPAXZSER-UHFFFAOYSA-N 0 0 397.352 4.982 50 0 in-vitro GJAARN Cc1ccc(NC(=O)CSCc2nc(-c3ccsc3)no2)cc1Cl ZINC000006850502 570648086 /nfs/dbraw/zinc/64/80/86/570648086.db2.gz NIZWCACSWNPPBZ-UHFFFAOYSA-N 0 0 379.894 4.632 50 0 GJAARN C=C1c2ccccc2N=C(SCC(=O)Nc2cc(Cl)ccc2OC)N1C ZINC000006851211 570648508 /nfs/dbraw/zinc/64/85/08/570648508.db2.gz 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570656831 /nfs/dbraw/zinc/65/68/31/570656831.db2.gz HTINKHVYGPQBKF-UHFFFAOYSA-N 0 0 387.220 4.626 50 0 GJAARN Cc1sc2[nH]c([C@@H](C)Oc3ccc(Br)cc3F)nc(=O)c2c1C ZINC000005173714 570659875 /nfs/dbraw/zinc/65/98/75/570659875.db2.gz WKLRSVLQCQYCHC-MRVPVSSYSA-N 0 0 397.269 4.643 50 0 GJAARN COC(=O)[C@](Nc1cccc(Cl)c1)(c1cc(C)c(O)c(C)c1)C(F)(F)F ZINC000005379088 570660710 /nfs/dbraw/zinc/66/07/10/570660710.db2.gz KBQVEKZRKZFNCN-QGZVFWFLSA-N 0 0 387.785 4.705 50 0 GJAARN Fc1ccccc1-c1nnc(SCc2nc(-c3ccccc3)no2)n1C1CC1 ZINC000005333877 570661990 /nfs/dbraw/zinc/66/19/90/570661990.db2.gz HDXNCYMBZOGJMG-UHFFFAOYSA-N 0 0 393.447 4.761 50 0 GJAARN Cc1nn(C)c(Cl)c1CN[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012438915 570662942 /nfs/dbraw/zinc/66/29/42/570662942.db2.gz DQFUZMYTDYOVQB-LJQANCHMSA-N 0 0 397.954 4.679 50 0 GJAARN Cc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1F ZINC000169759781 570663595 /nfs/dbraw/zinc/66/35/95/570663595.db2.gz BRJLWSPNFBOJBL-LJQANCHMSA-N 0 0 385.826 4.508 50 0 GJAARN CCN(C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1)C(=O)c1ccccc1F ZINC000006871035 570663979 /nfs/dbraw/zinc/66/39/79/570663979.db2.gz LKXZMGNBTVTDEY-ZDUSSCGKSA-N 0 0 395.261 4.788 50 0 GJAARN CC(C)C(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000006874573 570665313 /nfs/dbraw/zinc/66/53/13/570665313.db2.gz FZTWJKDVBJPCLX-QGZVFWFLSA-N 0 0 388.870 4.657 50 0 GJAARN c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000005603194 570667969 /nfs/dbraw/zinc/66/79/69/570667969.db2.gz WNSLONYGAURLOZ-IBGZPJMESA-N 0 0 376.456 4.662 50 0 GJAARN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCc2ccccc21 ZINC000005604759 570668551 /nfs/dbraw/zinc/66/85/51/570668551.db2.gz GPVSTQZXXDLITH-UHFFFAOYSA-N 0 0 376.692 4.788 50 0 GJAARN CCc1cccc(NC(=O)c2ccc3c(c2)N(CC)[C@H]2CCCCCN2C3=O)c1 ZINC000169765996 570672440 /nfs/dbraw/zinc/67/24/40/570672440.db2.gz PTYVXGQXAJYPMR-JOCHJYFZSA-N 0 0 391.515 4.684 50 0 GJAARN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(cccc3C(C)C)s2)on1 ZINC000012422355 570673001 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ZINC000036398679 570683391 /nfs/dbraw/zinc/68/33/91/570683391.db2.gz JSZPUCFHNWKMMK-NRFANRHFSA-N 0 0 398.553 4.795 50 0 GJAARN CC(C)CNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 ZINC000008854521 570683661 /nfs/dbraw/zinc/68/36/61/570683661.db2.gz IKQSOHUSMYDUKL-UHFFFAOYSA-N 0 0 399.379 4.513 50 0 GJAARN COc1ccc(OC)c(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)c1 ZINC000012581506 570684083 /nfs/dbraw/zinc/68/40/83/570684083.db2.gz URQARMKEOXBUIM-INIZCTEOSA-N 0 0 385.529 4.521 50 0 GJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1cccc(Cl)c1 ZINC000005660022 570684876 /nfs/dbraw/zinc/68/48/76/570684876.db2.gz KWJACDFDNBCEHS-UHFFFAOYSA-N 0 0 380.860 4.846 50 0 GJAARN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)O[C@@H](C)c1oc2ccccc2c1C ZINC000154704790 570685368 /nfs/dbraw/zinc/68/53/68/570685368.db2.gz DONAHVZNXFDXEW-AWEZNQCLSA-N 0 0 394.393 4.964 50 0 GJAARN COc1cccc2[nH]cc(CC(=O)N(CCC(F)(F)F)Cc3ccccc3)c21 ZINC000241588453 570687035 /nfs/dbraw/zinc/68/70/35/570687035.db2.gz PDHLRBDWRLMDOY-UHFFFAOYSA-N 0 0 390.405 4.700 50 0 GJAARN COC(=O)c1ccc(-c2nc(CN(C)[C@@H](C)c3ccc(OC)cc3)c(C)o2)cc1 ZINC000012592475 570687616 /nfs/dbraw/zinc/68/76/16/570687616.db2.gz WGWGCPTVZKIVKB-HNNXBMFYSA-N 0 0 394.471 4.638 50 0 GJAARN Cc1oc(-c2ccccc2Cl)nc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055228620 570688226 /nfs/dbraw/zinc/68/82/26/570688226.db2.gz MBHKUPBQPLGWAN-GOSISDBHSA-N 0 0 397.906 4.880 50 0 GJAARN O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCc2sccc2C1 ZINC000012595467 570689128 /nfs/dbraw/zinc/68/91/28/570689128.db2.gz FMTFTXIKLYJMGH-IBGZPJMESA-N 0 0 391.492 4.584 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000005786772 570689820 /nfs/dbraw/zinc/68/98/20/570689820.db2.gz GSCFOBIGTCHCFF-BPQIPLTHSA-N 0 0 387.549 4.578 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1c(-c2ccccc2)nc2sccn21 ZINC000012627229 570691918 /nfs/dbraw/zinc/69/19/18/570691918.db2.gz LSUMWVFGGMRAGM-UHFFFAOYSA-N 0 0 383.860 4.977 50 0 GJAARN CC(C)[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1nc2ccccc2[nH]1 ZINC000012628036 570692361 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CCOCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1cccc(C)c1 ZINC000006913661 570700455 /nfs/dbraw/zinc/70/04/55/570700455.db2.gz SMVPQUDYMFPACU-UHFFFAOYSA-N 0 0 378.516 4.771 50 0 GJAARN Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCc3cccnc3)cc12 ZINC000006913623 570700513 /nfs/dbraw/zinc/70/05/13/570700513.db2.gz ZWIFJWKPIWPGTP-UHFFFAOYSA-N 0 0 383.495 4.940 50 0 GJAARN COc1cc2c(cc1NC(=S)NC(=O)c1ccccc1F)oc1ccccc12 ZINC000004624077 570701178 /nfs/dbraw/zinc/70/11/78/570701178.db2.gz IIGLIVIUBMHKRZ-UHFFFAOYSA-N 0 0 394.427 4.861 50 0 GJAARN Cc1cc(NC(=O)NCc2cccn2Cc2ccccc2)ccc1Br ZINC000006917726 570703655 /nfs/dbraw/zinc/70/36/55/570703655.db2.gz BIKVJLLDQWRDOF-UHFFFAOYSA-N 0 0 398.304 4.929 50 0 GJAARN COc1ccc(Sc2ccc(NC(=O)[C@H](C)n3ccnc3)cc2Cl)cc1 ZINC000058004847 570706314 /nfs/dbraw/zinc/70/63/14/570706314.db2.gz YBZIAOFKFKCOFG-ZDUSSCGKSA-N 0 0 387.892 4.896 50 0 GJAARN COc1cc(CNC(=O)c2ccc(F)cc2Cl)ccc1OC1CCCC1 ZINC000058016082 570707392 /nfs/dbraw/zinc/70/73/92/570707392.db2.gz JHSUDQVDSYIQNZ-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/71/22/96/570712296.db2.gz JEJGJSKGKVBVOX-UHFFFAOYSA-N 0 0 396.668 4.800 50 0 GJAARN COc1ccc(C)cc1C=CC(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000058161374 570712790 /nfs/dbraw/zinc/71/27/90/570712790.db2.gz DHAXQYQKHBUWCM-ZRDIBKRKSA-N 0 0 376.460 4.564 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1ccccc1F ZINC000006940066 570713290 /nfs/dbraw/zinc/71/32/90/570713290.db2.gz QRIAGUUIYFRBOR-UHFFFAOYSA-N 0 0 378.382 4.502 50 0 GJAARN COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)cc1OC ZINC000012792206 570714353 /nfs/dbraw/zinc/71/43/53/570714353.db2.gz TWIIYIZVKUOITI-UHFFFAOYSA-N 0 0 394.496 4.712 50 0 GJAARN COc1ccccc1-c1nnc(SCCC(C)=O)n1-c1ccc(Cl)cc1 ZINC000018970432 570714490 /nfs/dbraw/zinc/71/44/90/570714490.db2.gz KWUMHUWRSYWCGJ-UHFFFAOYSA-N 0 0 387.892 4.668 50 0 GJAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012793795 570715206 /nfs/dbraw/zinc/71/52/06/570715206.db2.gz BDDBISXOUDNAGC-IBGZPJMESA-N 0 0 398.466 4.541 50 0 GJAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012793793 570715232 /nfs/dbraw/zinc/71/52/32/570715232.db2.gz BDDBISXOUDNAGC-LJQANCHMSA-N 0 0 398.466 4.541 50 0 GJAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1F ZINC000006943164 570715391 /nfs/dbraw/zinc/71/53/91/570715391.db2.gz XBJIDCAMIXNITN-UHFFFAOYSA-N 0 0 397.833 4.793 50 0 GJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012795625 570716065 /nfs/dbraw/zinc/71/60/65/570716065.db2.gz KBTJWQIEUYBEES-QGZVFWFLSA-N 0 0 391.389 4.844 50 0 GJAARN Cc1nc(NC(=O)c2ccc(C)c(C)c2)sc1Cc1ccc2c(c1)OCO2 ZINC000012798792 570717162 /nfs/dbraw/zinc/71/71/62/570717162.db2.gz VYEXIYYSFPIKCU-UHFFFAOYSA-N 0 0 380.469 4.640 50 0 GJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000017903476 570718481 /nfs/dbraw/zinc/71/84/81/570718481.db2.gz LVRVONPCTREFLH-UHFFFAOYSA-N 0 0 384.863 4.668 50 0 GJAARN CCOc1ccc(NC(=O)N(CC)Cc2cc(=O)[nH]c3c(C)cc(C)cc23)cc1 ZINC000041076925 570719138 /nfs/dbraw/zinc/71/91/38/570719138.db2.gz 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570725728 /nfs/dbraw/zinc/72/57/28/570725728.db2.gz FLQUCTQHJLRICJ-UHFFFAOYSA-N 0 0 390.443 4.670 50 0 GJAARN O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000004392128 570727689 /nfs/dbraw/zinc/72/76/89/570727689.db2.gz YIWRJLFBVKVFFI-UHFFFAOYSA-N 0 0 391.283 4.576 50 0 GJAARN Cc1c(C(=O)Nc2ccc(N3CCCC3)cc2C)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000032674604 570728173 /nfs/dbraw/zinc/72/81/73/570728173.db2.gz KEIMDBUDQIFACI-UHFFFAOYSA-N 0 0 379.504 4.639 50 0 GJAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)c1ccc(F)cc1 ZINC000004393787 570730006 /nfs/dbraw/zinc/73/00/06/570730006.db2.gz ILHKCJNXOXZSCZ-CQSZACIVSA-N 0 0 377.415 4.681 50 0 GJAARN COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000006995368 570732474 /nfs/dbraw/zinc/73/24/74/570732474.db2.gz YQFFOYPOAFSCPX-DEOSSOPVSA-N 0 0 375.468 4.542 50 0 GJAARN CN(C(=O)c1ccc(I)cc1)c1cccc2ccccc21 ZINC000058439505 570734175 /nfs/dbraw/zinc/73/41/75/570734175.db2.gz XPASGWMNASXBJE-UHFFFAOYSA-N 0 0 387.220 4.721 50 0 GJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)c1 ZINC000012976197 570734907 /nfs/dbraw/zinc/73/49/07/570734907.db2.gz VRLIQYDEVZVHPN-LLVKDONJSA-N 0 0 388.514 4.688 50 0 GJAARN COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000007003948 570735222 /nfs/dbraw/zinc/73/52/22/570735222.db2.gz CMLHDPAKHPQGMP-UHFFFAOYSA-N 0 0 386.455 4.607 50 0 GJAARN O=C(Cc1ccccc1F)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219080 570735265 /nfs/dbraw/zinc/73/52/65/570735265.db2.gz YUNQDUNCUBBLKO-UHFFFAOYSA-N 0 0 397.406 4.925 50 0 GJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N(C(C)C)C3CCCCC3)c2)on1 ZINC000007005332 570736599 /nfs/dbraw/zinc/73/65/99/570736599.db2.gz ATRYCIPGTLKMPD-UHFFFAOYSA-N 0 0 376.522 4.690 50 0 GJAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 ZINC000012993740 570738994 /nfs/dbraw/zinc/73/89/94/570738994.db2.gz OFRZDRWCBQOBAF-VXGBXAGGSA-N 0 0 381.904 4.666 50 0 GJAARN Cn1c(Sc2ncnc3scc(-c4ccccc4)c32)nnc1C(F)(F)F ZINC000007007548 570739807 /nfs/dbraw/zinc/73/98/07/570739807.db2.gz QGJFQGDMRFZULX-UHFFFAOYSA-N 0 0 393.419 4.657 50 0 GJAARN O=C(OCc1ccccc1)Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000000970481 570740920 /nfs/dbraw/zinc/74/09/20/570740920.db2.gz DXFUSHBGVSFNHV-UHFFFAOYSA-N 0 0 391.246 4.928 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000013002037 570741046 /nfs/dbraw/zinc/74/10/46/570741046.db2.gz MSRMMYFWSBROEJ-KRWDZBQOSA-N 0 0 397.906 4.568 50 0 GJAARN Cc1ccc([C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 ZINC000013010327 570741491 /nfs/dbraw/zinc/74/14/91/570741491.db2.gz ASIGPYWAITTYDL-MRXNPFEDSA-N 0 0 389.406 4.715 50 0 GJAARN Cc1ccc2c(COC(=O)c3csc(-c4ccsc4)n3)cc(=O)oc2c1 ZINC000025185578 570742134 /nfs/dbraw/zinc/74/21/34/570742134.db2.gz XTANBQJZTZVRLP-UHFFFAOYSA-N 0 0 383.450 4.643 50 0 GJAARN Cc1ccc(S(=O)(=O)/C(=C/N2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000001000239 570744503 /nfs/dbraw/zinc/74/45/03/570744503.db2.gz NVLYLLVEPHSIDC-HMMYKYKNSA-N 0 0 375.921 4.907 50 0 GJAARN O=C(Nc1ccc(F)cc1)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 ZINC000000999216 570744800 /nfs/dbraw/zinc/74/48/00/570744800.db2.gz XMBJZSULRRSWRF-XSFVSMFZSA-N 0 0 394.833 4.889 50 0 GJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)Nc1ccc(F)c(C)c1 ZINC000065240855 570745060 /nfs/dbraw/zinc/74/50/60/570745060.db2.gz NCMBKKMWMNSGDU-UHFFFAOYSA-N 0 0 380.448 4.705 50 0 GJAARN Cc1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C)c(F)c1 ZINC000065241312 570745377 /nfs/dbraw/zinc/74/53/77/570745377.db2.gz FTRCBULUVBMHJB-UHFFFAOYSA-N 0 0 393.443 4.523 50 0 GJAARN COCCc1noc(-c2cnc3nc(C)ccc3c2Nc2cccc(C)c2C)n1 ZINC000065250673 570749640 /nfs/dbraw/zinc/74/96/40/570749640.db2.gz PKPJPMHVKYSVHI-UHFFFAOYSA-N 0 0 389.459 4.538 50 0 GJAARN COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1Br ZINC000006736697 570750555 /nfs/dbraw/zinc/75/05/55/570750555.db2.gz HNBNKICNWBRDEW-UHFFFAOYSA-N 0 0 397.681 4.973 50 0 GJAARN COc1cccc(-c2cc(C(=O)Nc3ccccc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616037 570751493 /nfs/dbraw/zinc/75/14/93/570751493.db2.gz BESBINKIIGHXSW-UHFFFAOYSA-N 0 0 386.455 4.513 50 0 GJAARN CCN(Cc1ccncc1)C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccccc21 ZINC000063869981 570752173 /nfs/dbraw/zinc/75/21/73/570752173.db2.gz AZQFBYKHIKCZGN-UHFFFAOYSA-N 0 0 399.498 4.737 50 0 GJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccc(Cl)cc2)cs1 ZINC000065254876 570752452 /nfs/dbraw/zinc/75/24/52/570752452.db2.gz TTXHBRCHJGRCGL-UHFFFAOYSA-N 0 0 384.888 4.740 50 0 GJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N[C@@H]3CCCc4ccccc43)c12 ZINC000036616494 570752864 /nfs/dbraw/zinc/75/28/64/570752864.db2.gz RAECRLGBWCIDIS-JOCHJYFZSA-N 0 0 396.494 4.845 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000013326958 570752957 /nfs/dbraw/zinc/75/29/57/570752957.db2.gz CYUREUFLCVHZBQ-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CCCCCC1 ZINC000036616906 570753794 /nfs/dbraw/zinc/75/37/94/570753794.db2.gz BVPQYBCFKHNDQG-UHFFFAOYSA-N 0 0 376.504 4.751 50 0 GJAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)c4cc(C)ccc4C)sc3c2c1 ZINC000013520283 570756624 /nfs/dbraw/zinc/75/66/24/570756624.db2.gz PWAHDHCOWFBFTD-UHFFFAOYSA-N 0 0 376.481 4.945 50 0 GJAARN Cc1nn(C)cc1-c1nn(-c2ccc(C)c(Cl)c2)c(-c2cn(C)nc2C)c1C ZINC000036611600 570756844 /nfs/dbraw/zinc/75/68/44/570756844.db2.gz KXVDLUDSGDNIOF-UHFFFAOYSA-N 0 0 394.910 4.560 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 ZINC000025512111 570756919 /nfs/dbraw/zinc/75/69/19/570756919.db2.gz PBTMVXLRLACJHC-TZIWHRDSSA-N 0 0 396.918 4.556 50 0 GJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)no1 ZINC000064984724 570757455 /nfs/dbraw/zinc/75/74/55/570757455.db2.gz MPHBARQVMIZYLK-MRXNPFEDSA-N 0 0 393.871 4.667 50 0 GJAARN CCc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccnn3CC)n2)cc1 ZINC000036613862 570757593 /nfs/dbraw/zinc/75/75/93/570757593.db2.gz BNGIZCBXHKRHGZ-UHFFFAOYSA-N 0 0 375.398 4.553 50 0 GJAARN CC[C@@H](C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccccc1 ZINC000065257793 570758479 /nfs/dbraw/zinc/75/84/79/570758479.db2.gz VAUJFDZIWVLOSR-LJQANCHMSA-N 0 0 390.487 4.601 50 0 GJAARN CCn1ccc(-c2cc(C(=O)Nc3cccc4ccccc43)c3c(C)noc3n2)n1 ZINC000036618023 570758970 /nfs/dbraw/zinc/75/89/70/570758970.db2.gz QIIRKZPAHIGVOO-UHFFFAOYSA-N 0 0 397.438 4.820 50 0 GJAARN CC(C)c1noc(C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCCC2)n1 ZINC000065257852 570758995 /nfs/dbraw/zinc/75/89/95/570758995.db2.gz PLOICBFPBBRVJD-UHFFFAOYSA-N 0 0 381.398 4.801 50 0 GJAARN c1cc(-c2c(-c3ccccc3)ncn2Cc2noc([C@@H]3CCCO3)n2)cs1 ZINC000065387333 570763963 /nfs/dbraw/zinc/76/39/63/570763963.db2.gz KAQTXNUSGNITMQ-INIZCTEOSA-N 0 0 378.457 4.561 50 0 GJAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206991482 570767282 /nfs/dbraw/zinc/76/72/82/570767282.db2.gz XDDZQXZOZZPMGZ-SFHVURJKSA-N 0 0 387.892 4.644 50 0 GJAARN CCOc1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000004433497 570769857 /nfs/dbraw/zinc/76/98/57/570769857.db2.gz TZHXRWRQGKXSAS-UHFFFAOYSA-N 0 0 385.851 4.750 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@H](c2ccco2)CC1 ZINC000207007268 570770425 /nfs/dbraw/zinc/77/04/25/570770425.db2.gz RQPQIMQHRJVCRR-INIZCTEOSA-N 0 0 386.300 4.672 50 0 GJAARN CC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1ccco1 ZINC000096601972 570774268 /nfs/dbraw/zinc/77/42/68/570774268.db2.gz PUFCUISMGHQKQS-UHFFFAOYSA-N 0 0 376.437 4.881 50 0 GJAARN C[C@H]1CCCN(Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)C1 ZINC000036638661 570775888 /nfs/dbraw/zinc/77/58/88/570775888.db2.gz IGBLQQDUEWOXKB-AWEZNQCLSA-N 0 0 377.941 4.600 50 0 GJAARN COc1ccc(Cl)cc1C1=N/C(=C/c2cc(Br)cs2)C(=O)O1 ZINC000004644413 570776114 /nfs/dbraw/zinc/77/61/14/570776114.db2.gz UOQRYLABGYMNNB-WUXMJOGZSA-N 0 0 398.665 4.517 50 0 GJAARN COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2C(F)(F)F)C(=O)O1 ZINC000004644397 570776263 /nfs/dbraw/zinc/77/62/63/570776263.db2.gz LCLIZRAVDADVRR-ZSOIEALJSA-N 0 0 381.737 4.712 50 0 GJAARN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Br)cc1 ZINC000096675769 570776739 /nfs/dbraw/zinc/77/67/39/570776739.db2.gz NJIKCQOKQTWNQO-UHFFFAOYSA-N 0 0 377.259 4.678 50 0 GJAARN CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 ZINC000004646258 570778170 /nfs/dbraw/zinc/77/81/70/570778170.db2.gz 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GJAARN COc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)oc3C)nc21 ZINC000036691679 570791722 /nfs/dbraw/zinc/79/17/22/570791722.db2.gz HUAQEPXFOOXZML-UHFFFAOYSA-N 0 0 393.468 4.757 50 0 GJAARN CSc1cccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)CC(C)C)C3)cn2)c1 ZINC000067834274 570793593 /nfs/dbraw/zinc/79/35/93/570793593.db2.gz KBZJEMVHXYTDKA-LJQANCHMSA-N 0 0 396.556 4.938 50 0 GJAARN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1C ZINC000005847503 570796584 /nfs/dbraw/zinc/79/65/84/570796584.db2.gz DZGSLGGYROZFOZ-UHFFFAOYSA-N 0 0 385.464 4.515 50 0 GJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000032753904 570796893 /nfs/dbraw/zinc/79/68/93/570796893.db2.gz FGDQAWMOGYJOFH-JXFKEZNVSA-N 0 0 379.456 4.824 50 0 GJAARN CCN(CC)C(=S)NC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000018062400 570798061 /nfs/dbraw/zinc/79/80/61/570798061.db2.gz IBVYUZOVJZZCNK-WVKNIADZSA-N 0 0 384.589 4.576 50 0 GJAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Cl)c1Cl ZINC000005861697 570798097 /nfs/dbraw/zinc/79/80/97/570798097.db2.gz IRVYRRWSCKHLAJ-UHFFFAOYSA-N 0 0 380.271 4.587 50 0 GJAARN COc1ccc(N=C2NN=C(c3ccc(NC(=O)CC(C)C)cc3)CS2)cc1 ZINC000005862772 570798408 /nfs/dbraw/zinc/79/84/08/570798408.db2.gz CFLJGQIECKYSGX-UHFFFAOYSA-N 0 0 396.516 4.599 50 0 GJAARN CC[C@@H](C)n1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000005875340 570800085 /nfs/dbraw/zinc/80/00/85/570800085.db2.gz IDVXNGWYTGYUCU-RVZJCZPVSA-N 0 0 391.446 4.844 50 0 GJAARN Cc1nc2cc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)ccc2o1 ZINC000022191274 570801017 /nfs/dbraw/zinc/80/10/17/570801017.db2.gz RQSKOPRSWQWGGY-UHFFFAOYSA-N 0 0 384.395 4.834 50 0 GJAARN Cc1ccc(-n2ncc3c2ncn(Cc2ccc(Cl)cc2Cl)c3=O)c(C)c1 ZINC000004479321 570801565 /nfs/dbraw/zinc/80/15/65/570801565.db2.gz FTPMJMXDQQDMET-UHFFFAOYSA-N 0 0 399.281 4.554 50 0 GJAARN Cc1ccc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c(C)c1 ZINC000004479440 570801795 /nfs/dbraw/zinc/80/17/95/570801795.db2.gz JFYXXZPUNZAUTQ-UHFFFAOYSA-N 0 0 397.434 4.837 50 0 GJAARN O=C(NC1CCCCCCC1)C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000033071116 570802233 /nfs/dbraw/zinc/80/22/33/570802233.db2.gz BPJHGKYXDVQMGU-UHFFFAOYSA-N 0 0 388.943 4.662 50 0 GJAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071406 570803048 /nfs/dbraw/zinc/80/30/48/570803048.db2.gz RQUVNZKNJNMJKF-OAHLLOKOSA-N 0 0 388.943 4.662 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1OC ZINC000005930542 570804611 /nfs/dbraw/zinc/80/46/11/570804611.db2.gz AHUODCSZJWHORJ-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN Cc1ccc(-c2noc(C3C(C)=NC(=S)N[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000004483832 570805203 /nfs/dbraw/zinc/80/52/03/570805203.db2.gz LSGPMOWRTRMURN-QGZVFWFLSA-N 0 0 396.903 4.648 50 0 GJAARN COc1ccc(CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000036722710 570805591 /nfs/dbraw/zinc/80/55/91/570805591.db2.gz HLAWUFWVAMNENJ-ZDUSSCGKSA-N 0 0 375.419 4.642 50 0 GJAARN CCOC(=O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(C)cc1 ZINC000004653396 570805803 /nfs/dbraw/zinc/80/58/03/570805803.db2.gz 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COCCCNC(=O)Cc1c2ccccc2[nH]c1Sc1ccc(Cl)cc1 ZINC000033116243 570813900 /nfs/dbraw/zinc/81/39/00/570813900.db2.gz IFLTVJNBDRYINE-UHFFFAOYSA-N 0 0 388.920 4.668 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000006017030 570814510 /nfs/dbraw/zinc/81/45/10/570814510.db2.gz TXYTXBVZBVXVGE-UHFFFAOYSA-N 0 0 375.881 4.573 50 0 GJAARN COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 ZINC000005697007 570814560 /nfs/dbraw/zinc/81/45/60/570814560.db2.gz PCMSJSYHFYPSAU-UHFFFAOYSA-N 0 0 399.443 4.910 50 0 GJAARN CCOc1ccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)cc1 ZINC000006026647 570814707 /nfs/dbraw/zinc/81/47/07/570814707.db2.gz KVALVLSVHUOBME-UHFFFAOYSA-N 0 0 385.514 4.810 50 0 GJAARN Cc1noc(C)c1COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 ZINC000036803788 570815526 /nfs/dbraw/zinc/81/55/26/570815526.db2.gz KWTPCMPFJZWRJP-JOCHJYFZSA-N 0 0 376.456 4.630 50 0 GJAARN CCOCCn1c2ccccc2sc1=NC(=O)Cc1ccc(C(C)C)cc1 ZINC000101143274 570816025 /nfs/dbraw/zinc/81/60/25/570816025.db2.gz 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/nfs/dbraw/zinc/81/97/30/570819730.db2.gz JVBGJXZCGJKCGG-UHFFFAOYSA-N 0 0 380.400 4.747 50 0 GJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc2c(c1)CCC2 ZINC000031685266 570820164 /nfs/dbraw/zinc/82/01/64/570820164.db2.gz QVUAYROPAFYRSB-UHFFFAOYSA-N 0 0 375.453 4.682 50 0 GJAARN COc1cccc(CNC(=O)Nc2c3cc(F)ccc3[nH]c2-c2ccncc2)c1 ZINC000033130812 570821631 /nfs/dbraw/zinc/82/16/31/570821631.db2.gz QDORXYLXWQJCFI-UHFFFAOYSA-N 0 0 390.418 4.699 50 0 GJAARN CC(=O)Nc1ccccc1OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000007263203 570821854 /nfs/dbraw/zinc/82/18/54/570821854.db2.gz PWGCKFFHXAPRGN-HSZRJFAPSA-N 0 0 393.414 4.971 50 0 GJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000007268668 570822334 /nfs/dbraw/zinc/82/23/34/570822334.db2.gz AOUXNOWXSFPKKE-UHFFFAOYSA-N 0 0 396.796 4.734 50 0 GJAARN CC(=O)NCCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 ZINC000007275287 570823862 /nfs/dbraw/zinc/82/38/62/570823862.db2.gz CBWZRSIUAUKWLU-UHFFFAOYSA-N 0 0 393.537 4.689 50 0 GJAARN O=C(COc1ccccc1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000007281181 570824482 /nfs/dbraw/zinc/82/44/82/570824482.db2.gz VQMTZXKXUCELFL-OAQYLSRUSA-N 0 0 383.394 4.573 50 0 GJAARN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000033139654 570826466 /nfs/dbraw/zinc/82/64/66/570826466.db2.gz DVKRIGOMRKZLOO-UHFFFAOYSA-N 0 0 391.490 4.708 50 0 GJAARN Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc32)no1 ZINC000007298650 570826682 /nfs/dbraw/zinc/82/66/82/570826682.db2.gz PARFDVYQHIXUOZ-GFCCVEGCSA-N 0 0 396.497 4.774 50 0 GJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCC[C@H](C(F)(F)F)C1 ZINC000012521816 570827959 /nfs/dbraw/zinc/82/79/59/570827959.db2.gz RTHKQRPACYVNPV-HNNXBMFYSA-N 0 0 385.389 4.711 50 0 GJAARN COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@H]1C(=O)Nc2c1cccc2Cl ZINC000101626159 570828143 /nfs/dbraw/zinc/82/81/43/570828143.db2.gz WDZKLTQKJZTORR-AWEZNQCLSA-N 0 0 386.860 4.576 50 0 GJAARN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc2ccccc2c1 ZINC000012522019 570828424 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/nfs/dbraw/zinc/88/61/97/570886197.db2.gz LZLDEURLAGLMNN-UHFFFAOYSA-N 0 0 377.513 4.562 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)COCc3nc4ccccc4s3)c2)cs1 ZINC000009910005 570887006 /nfs/dbraw/zinc/88/70/06/570887006.db2.gz UIDXLVQBAYAVOS-UHFFFAOYSA-N 0 0 395.509 4.884 50 0 GJAARN Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 ZINC000071283412 570887272 /nfs/dbraw/zinc/88/72/72/570887272.db2.gz RWEUWNCBQIOXMP-FQEVSTJZSA-N 0 0 391.515 4.537 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000012602861 570887468 /nfs/dbraw/zinc/88/74/68/570887468.db2.gz MISIBCWJEVLHJG-SFHVURJKSA-N 0 0 397.837 4.787 50 0 GJAARN O=C(Nc1nc2c(cccc2Br)s1)Nc1c(F)cccc1F ZINC000042381221 570890898 /nfs/dbraw/zinc/89/08/98/570890898.db2.gz DOORUFFIJQODRS-UHFFFAOYSA-N 0 0 384.205 4.981 50 0 GJAARN COc1ccc(Cl)cc1N(C)C(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000004563494 570890944 /nfs/dbraw/zinc/89/09/44/570890944.db2.gz RBVHRWIMDXVXBM-UHFFFAOYSA-N 0 0 399.855 4.946 50 0 GJAARN O=C1SCC(c2ccc(Cl)s2)=NN1Cc1nnc(-c2ccccc2)o1 ZINC000004568432 570890981 /nfs/dbraw/zinc/89/09/81/570890981.db2.gz RRBJLADIMTXMQC-UHFFFAOYSA-N 0 0 390.877 4.525 50 0 GJAARN COc1ccc2c(CC(=O)N[C@@H](c3cccs3)c3ccccc3)coc2c1 ZINC000010220084 570892323 /nfs/dbraw/zinc/89/23/23/570892323.db2.gz CFEFMRUPGJKQDW-JOCHJYFZSA-N 0 0 377.465 4.951 50 0 GJAARN O=C(c1cc2cn(C3CC3)cc2s1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000097097216 570892452 /nfs/dbraw/zinc/89/24/52/570892452.db2.gz YESYJSCTEFAGRH-UHFFFAOYSA-N 0 0 385.920 4.654 50 0 GJAARN Cc1cc(C)nc(-c2cccc(C(=O)N3CC(Oc4c(C)cccc4C)C3)c2)c1 ZINC000299768098 570893519 /nfs/dbraw/zinc/89/35/19/570893519.db2.gz ITHYABUBEMRDGG-UHFFFAOYSA-N 0 0 386.495 4.886 50 0 GJAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000023053493 570894578 /nfs/dbraw/zinc/89/45/78/570894578.db2.gz CVBCNMGJNMRHFV-UHFFFAOYSA-N 0 0 395.484 4.748 50 0 GJAARN COc1cccc(-c2nc(-c3cccc(OCc4ccccc4OC)c3)no2)c1 ZINC000096281025 570895839 /nfs/dbraw/zinc/89/58/39/570895839.db2.gz BBJVZYAOSBGRIQ-UHFFFAOYSA-N 0 0 388.423 5.000 50 0 GJAARN CC(C)c1cc(CN(C)C(=O)c2ccc(CSc3ccccn3)cc2)no1 ZINC000299791250 570896391 /nfs/dbraw/zinc/89/63/91/570896391.db2.gz DMTXCTWQCDAQEI-UHFFFAOYSA-N 0 0 381.501 4.758 50 0 GJAARN Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)c1 ZINC000004561564 570896895 /nfs/dbraw/zinc/89/68/95/570896895.db2.gz WGGNTORPJHTUGN-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Cl)c1O ZINC000004571678 570899189 /nfs/dbraw/zinc/89/91/89/570899189.db2.gz CVPDIKIIJDGDON-VPTHRUTESA-N 0 0 378.881 4.669 50 0 GJAARN CC(C)c1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1 ZINC000012623605 570900202 /nfs/dbraw/zinc/90/02/02/570900202.db2.gz DQXCFABAJHSKBO-UHFFFAOYSA-N 0 0 389.322 4.841 50 0 GJAARN Cc1ccc(-n2ncc(C(=O)Nc3cc(F)c(F)cc3F)c2C(F)(F)F)cc1 ZINC000104479299 570900442 /nfs/dbraw/zinc/90/04/42/570900442.db2.gz GVMCENFXGWFNDB-UHFFFAOYSA-N 0 0 399.294 4.869 50 0 GJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000014802622 570900946 /nfs/dbraw/zinc/90/09/46/570900946.db2.gz TXZDROBRQDRPOV-UHFFFAOYSA-N 0 0 398.846 4.612 50 0 GJAARN CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCO4)[C@H]12 ZINC000004025654 570903921 /nfs/dbraw/zinc/90/39/21/570903921.db2.gz QICBLZXMSFTNCM-JKCUGDFGSA-N 0 0 388.573 4.936 50 0 biogenic GJAARN Cc1cccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000015778682 570904291 /nfs/dbraw/zinc/90/42/91/570904291.db2.gz LRXDHWPXIQAQHW-HXUWFJFHSA-N 0 0 387.414 4.704 50 0 GJAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(Cl)cc1F ZINC000014260055 570904679 /nfs/dbraw/zinc/90/46/79/570904679.db2.gz ZPPDDUKEUQUZKN-UHFFFAOYSA-N 0 0 386.648 4.522 50 0 GJAARN COc1cccc(Nc2nnc(SC[C@H](O)c3ccc(Cl)cc3)s2)c1 ZINC000032906268 570904838 /nfs/dbraw/zinc/90/48/38/570904838.db2.gz DOSHGRMLRVHJSO-HNNXBMFYSA-N 0 0 393.921 4.769 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1cccnc1SCC(F)(F)F ZINC000022522572 570906419 /nfs/dbraw/zinc/90/64/19/570906419.db2.gz FQQPNKZEMBDVOD-UHFFFAOYSA-N 0 0 376.787 4.650 50 0 GJAARN Cc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1C ZINC000051315356 570907107 /nfs/dbraw/zinc/90/71/07/570907107.db2.gz UAUATPFCKPCKDI-UHFFFAOYSA-N 0 0 392.333 4.609 50 0 GJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000001231982 570908474 /nfs/dbraw/zinc/90/84/74/570908474.db2.gz SBQJVYBXGXVGTI-UHFFFAOYSA-N 0 0 399.899 4.705 50 0 GJAARN COc1ccc(-c2nc(C)c(C(=O)N3CCc4cccc(C)c43)s2)cc1OC ZINC000089688973 570909259 /nfs/dbraw/zinc/90/92/59/570909259.db2.gz DWMCRCMLAYXPLU-UHFFFAOYSA-N 0 0 394.496 4.647 50 0 GJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2cc(C)ccc2C)[C@H](C)C(C)C)n1 ZINC000104961989 570910824 /nfs/dbraw/zinc/91/08/24/570910824.db2.gz DIXRHJWBHTZFDS-RTBURBONSA-N 0 0 385.552 4.866 50 0 GJAARN C[C@](O)(CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000089900567 570918744 /nfs/dbraw/zinc/91/87/44/570918744.db2.gz SVJBGCQAPJHYIS-GMAHTHKFSA-N 0 0 395.499 4.683 50 0 GJAARN CCCCc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000016263036 570919789 /nfs/dbraw/zinc/91/97/89/570919789.db2.gz MPWINSVHZKFDHU-FQEVSTJZSA-N 0 0 381.907 4.936 50 0 GJAARN O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCCCCC1 ZINC000046768361 570924886 /nfs/dbraw/zinc/92/48/86/570924886.db2.gz QDKOYJAZUQAMAT-UHFFFAOYSA-N 0 0 375.266 4.653 50 0 GJAARN COc1cc2ncnc(NCCSc3ccc(Cl)cc3)c2cc1OC ZINC000004060373 570926649 /nfs/dbraw/zinc/92/66/49/570926649.db2.gz JTRUUGDWAMOOIQ-UHFFFAOYSA-N 0 0 375.881 4.505 50 0 GJAARN Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)s1 ZINC000031951667 570927069 /nfs/dbraw/zinc/92/70/69/570927069.db2.gz BYMNOVJDXINBFN-SCLBCKFNSA-N 0 0 392.952 4.650 50 0 GJAARN Cc1cc(C)n(-c2ccc(Nc3nc(C(F)(F)F)nc4ccccc43)cn2)n1 ZINC000032916219 570927442 /nfs/dbraw/zinc/92/74/42/570927442.db2.gz HLWGFIAWZUPRAV-UHFFFAOYSA-N 0 0 384.365 4.590 50 0 GJAARN COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1N1CCCC1=O ZINC000170633808 570927498 /nfs/dbraw/zinc/92/74/98/570927498.db2.gz PIOSIDQSDGCFKO-QGZVFWFLSA-N 0 0 397.475 4.564 50 0 GJAARN O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000019800786 570929672 /nfs/dbraw/zinc/92/96/72/570929672.db2.gz MYGZLQGSPWOHPU-HNNXBMFYSA-N 0 0 392.113 4.556 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000000954886 570930470 /nfs/dbraw/zinc/93/04/70/570930470.db2.gz CMSUYUKEKDZATJ-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN Cc1ccc(OC[C@@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001140293 570931760 /nfs/dbraw/zinc/93/17/60/570931760.db2.gz WZGABRAYAVOTEF-QFIPXVFZSA-N 0 0 384.479 4.965 50 0 GJAARN CC(C)CNc1nc2nn(-c3ccccc3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037359078 570932232 /nfs/dbraw/zinc/93/22/32/570932232.db2.gz JXQYJMKKTMNCRM-UHFFFAOYSA-N 0 0 392.894 4.786 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1ccc(OCCOc2ccccc2)cc1 ZINC000001791544 570932707 /nfs/dbraw/zinc/93/27/07/570932707.db2.gz VKRQWBICKNJKOX-UHFFFAOYSA-N 0 0 377.440 4.714 50 0 GJAARN COc1ccc([C@H](C)NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1F ZINC000078413765 570933135 /nfs/dbraw/zinc/93/31/35/570933135.db2.gz ZQLDFKVNPQUUIQ-AWEZNQCLSA-N 0 0 394.450 4.780 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1ccc(Cl)cc1 ZINC000003017376 570934243 /nfs/dbraw/zinc/93/42/43/570934243.db2.gz PTBBDTRFPNVLDB-UHFFFAOYSA-N 0 0 383.922 4.926 50 0 GJAARN Cc1ccccc1NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003017213 570934285 /nfs/dbraw/zinc/93/42/85/570934285.db2.gz QHLBVRCRVRDMGL-UHFFFAOYSA-N 0 0 385.419 4.786 50 0 GJAARN Cn1c(=N)n(CC(=O)c2cccc(Cl)c2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000334157549 570934931 /nfs/dbraw/zinc/93/49/31/570934931.db2.gz KKUMGDAQKQROHE-UHFFFAOYSA-N 0 0 394.689 4.816 50 0 GJAARN COc1ccc(CCC(=O)NCc2ccccc2COCc2ccccc2)cc1 ZINC000032925090 570935301 /nfs/dbraw/zinc/93/53/01/570935301.db2.gz AFDRPPWPBUTLRD-UHFFFAOYSA-N 0 0 389.495 4.661 50 0 GJAARN COc1cccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)[nH]n3)n2)c1OC ZINC000046913922 570936493 /nfs/dbraw/zinc/93/64/93/570936493.db2.gz GMWFWWQTMPOBFA-UHFFFAOYSA-N 0 0 390.443 4.934 50 0 GJAARN COc1ccccc1[C@H](NC(=O)c1noc2c1CCCC2)c1ccccc1Cl ZINC000170638657 570939670 /nfs/dbraw/zinc/93/96/70/570939670.db2.gz AGZQPHKEFMKOBJ-HXUWFJFHSA-N 0 0 396.874 4.735 50 0 GJAARN COC(=O)Cc1c(C)c2ccc(OCc3cccc4ccccc43)cc2oc1=O ZINC000002092250 570939980 /nfs/dbraw/zinc/93/99/80/570939980.db2.gz GIUBLZDNGHSEDY-UHFFFAOYSA-N 0 0 388.419 4.549 50 0 biogenic GJAARN O=C(OCc1cc2c(c(Cl)c1)OCO2)c1ncoc1-c1ccccc1Cl ZINC000170640102 570945904 /nfs/dbraw/zinc/94/59/04/570945904.db2.gz PGAFCBOEVASCAG-UHFFFAOYSA-N 0 0 392.194 4.734 50 0 GJAARN CCN(CC)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cn1 ZINC000032933144 570946077 /nfs/dbraw/zinc/94/60/77/570946077.db2.gz WKPAECFDOYHIEM-UHFFFAOYSA-N 0 0 395.478 4.576 50 0 GJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@@H](CO)Cc1ccccc1 ZINC000004731426 570946660 /nfs/dbraw/zinc/94/66/60/570946660.db2.gz RVBXGOSYXHFXPE-CLOONOSVSA-N 0 0 396.490 4.625 50 0 GJAARN CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccco1 ZINC000002398484 570947601 /nfs/dbraw/zinc/94/76/01/570947601.db2.gz DGEKWRTZPSUOLP-UHFFFAOYSA-N 0 0 384.505 4.586 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1N1CCCC1=O ZINC000005440963 570947993 /nfs/dbraw/zinc/94/79/93/570947993.db2.gz QCMXGTBOFQFJDK-UHFFFAOYSA-N 0 0 386.451 4.741 50 0 GJAARN O[C@](Cn1cnc(Cl)c1Cl)(c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004105204 570950601 /nfs/dbraw/zinc/95/06/01/570950601.db2.gz XTHWQCQINJXNCB-KRWDZBQOSA-N 0 0 385.653 4.919 50 0 GJAARN CCCOc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1OCCC ZINC000071936162 570950763 /nfs/dbraw/zinc/95/07/63/570950763.db2.gz JOYLHWOZCLWKIR-UHFFFAOYSA-N 0 0 393.487 4.761 50 0 GJAARN COc1c(Br)cc(Cl)cc1NC(=O)[C@H](C)OCc1ccccc1 ZINC000032937979 570953633 /nfs/dbraw/zinc/95/36/33/570953633.db2.gz IKKYVGHYWIEPFP-NSHDSACASA-N 0 0 398.684 4.655 50 0 GJAARN Cc1ccc(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c(Cl)c1 ZINC000010642078 570953664 /nfs/dbraw/zinc/95/36/64/570953664.db2.gz RSZINJANBGOCCM-UHFFFAOYSA-N 0 0 386.908 4.577 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2ccc(CSc3ccccn3)cc2)c1 ZINC000004740031 570953997 /nfs/dbraw/zinc/95/39/97/570953997.db2.gz HIGHJJPWLWDJDF-UHFFFAOYSA-N 0 0 380.469 4.643 50 0 GJAARN Cc1cc(NC(=O)[C@H](Sc2c(F)cc(F)cc2F)c2ccccc2)no1 ZINC000054486762 570955295 /nfs/dbraw/zinc/95/52/95/570955295.db2.gz PMNOAFFRKPUSSQ-MRXNPFEDSA-N 0 0 378.375 4.872 50 0 GJAARN Cc1cc(C)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c(C)c1 ZINC000002120380 570955649 /nfs/dbraw/zinc/95/56/49/570955649.db2.gz XTLAODRWDUTLFZ-UHFFFAOYSA-N 0 0 375.468 4.954 50 0 biogenic GJAARN Cc1ccc(-c2cc(C(=O)N([C@@H](C)C3CC3)C3CC3)c3c(C)noc3n2)s1 ZINC000047449153 570957085 /nfs/dbraw/zinc/95/70/85/570957085.db2.gz SQGAOLJVNQTHSL-ZDUSSCGKSA-N 0 0 381.501 4.971 50 0 GJAARN Cc1nc2c(cc(OCC(=O)N(C)Cc3ccc(O)cc3)c3ccsc32)s1 ZINC000052963819 570958798 /nfs/dbraw/zinc/95/87/98/570958798.db2.gz RPNFHNMNHPIKHV-UHFFFAOYSA-N 0 0 398.509 4.562 50 0 GJAARN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000252457167 570959204 /nfs/dbraw/zinc/95/92/04/570959204.db2.gz ILIQCPUJGFTWBR-GUDVDZBRSA-N 0 0 387.524 4.531 50 0 GJAARN CCCCC(=O)NC(NC(=O)CCCC)c1cccc(OCc2ccccc2)c1 ZINC000004747644 570959451 /nfs/dbraw/zinc/95/94/51/570959451.db2.gz KDJVEGKQBVHBJH-UHFFFAOYSA-N 0 0 396.531 4.877 50 0 GJAARN O=C(CC(F)(F)F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208005536 570960716 /nfs/dbraw/zinc/96/07/16/570960716.db2.gz PBRAZOMCPLLFIX-UHFFFAOYSA-N 0 0 378.379 4.840 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3C)c(C)s2)n1 ZINC000033289975 570960730 /nfs/dbraw/zinc/96/07/30/570960730.db2.gz DPHWAXNUSYPRFF-UHFFFAOYSA-N 0 0 378.544 4.906 50 0 GJAARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000007596163 570963085 /nfs/dbraw/zinc/96/30/85/570963085.db2.gz GTKIDHRXZCOEPE-UHFFFAOYSA-N 0 0 399.418 4.506 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cccc(O)c3)C[C@H]21 ZINC000007596960 570963443 /nfs/dbraw/zinc/96/34/43/570963443.db2.gz UYNIDVCEECNRFJ-GCJKJVERSA-N 0 0 376.412 4.626 50 0 GJAARN O=C(c1ccc(NCc2cccc3ccccc32)cc1Cl)N1CCOCC1 ZINC000170643290 570964777 /nfs/dbraw/zinc/96/47/77/570964777.db2.gz HFFAOEFYAYEFAF-UHFFFAOYSA-N 0 0 380.875 4.578 50 0 GJAARN COc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(C)n1 ZINC000012225739 570968288 /nfs/dbraw/zinc/96/82/88/570968288.db2.gz HCTNJBROAPASRQ-UHFFFAOYSA-N 0 0 383.839 4.835 50 0 GJAARN COc1ccc(-c2nsc(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000004167525 570968982 /nfs/dbraw/zinc/96/89/82/570968982.db2.gz KHAVIDLIBNUJJK-UHFFFAOYSA-N 0 0 399.541 4.870 50 0 GJAARN Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(F)cc2F)n1 ZINC000004167452 570970725 /nfs/dbraw/zinc/97/07/25/570970725.db2.gz FSZUBFHCKRELPF-UHFFFAOYSA-N 0 0 377.441 4.523 50 0 GJAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1c[nH]c2ccccc12 ZINC000004766959 570972292 /nfs/dbraw/zinc/97/22/92/570972292.db2.gz DIBDEEOTIAQWPN-UHFFFAOYSA-N 0 0 383.618 4.563 50 0 GJAARN COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(C)c3)C2=S)cc1 ZINC000045933150 570972850 /nfs/dbraw/zinc/97/28/50/570972850.db2.gz ACMAEBANGSDRCH-UHFFFAOYSA-N 0 0 392.524 4.937 50 0 GJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000033317630 570973666 /nfs/dbraw/zinc/97/36/66/570973666.db2.gz 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212200154 /nfs/dbraw/zinc/20/01/54/212200154.db2.gz GBYVNICWNRYNCC-UHFFFAOYSA-N 0 0 388.467 4.827 50 0 GJAARN Cc1cccc(S(=O)(=O)N2CCS[C@@H]2c2ccc3c4c(cccc42)CC3)c1 ZINC000000855044 212189733 /nfs/dbraw/zinc/18/97/33/212189733.db2.gz DYLCUYDJKIHMFU-JOCHJYFZSA-N 0 0 395.549 4.683 50 0 GJAARN O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000000822915 212185049 /nfs/dbraw/zinc/18/50/49/212185049.db2.gz DIJLTXWDVDGLAC-UHFFFAOYSA-N 0 0 377.399 4.871 50 0 GJAARN CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@H](O)c2ccccc2F)cc1 ZINC000000724039 212178480 /nfs/dbraw/zinc/17/84/80/212178480.db2.gz LODQNKQWPYWQSD-RBISFHTESA-N 0 0 399.402 4.703 50 0 GJAARN O=C(N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000726100 212177951 /nfs/dbraw/zinc/17/79/51/212177951.db2.gz MXHXEDFBKLLCIS-LBPRGKRZSA-N 0 0 384.115 4.940 50 0 GJAARN CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000000727710 212177752 /nfs/dbraw/zinc/17/77/52/212177752.db2.gz ANYSNVIXMHPKQV-INIZCTEOSA-N 0 0 385.291 4.553 50 0 GJAARN C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 ZINC000000671269 212172405 /nfs/dbraw/zinc/17/24/05/212172405.db2.gz RINFENOMBNPDPR-AWEZNQCLSA-N 0 0 384.273 4.859 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4C)c(N)c3cc2C1 ZINC000000661932 212170975 /nfs/dbraw/zinc/17/09/75/212170975.db2.gz CHLFIBYULZWDEB-ZDUSSCGKSA-N 0 0 395.528 4.963 50 0 GJAARN COc1cc(OC)cc([C@H]2SCCN2C(=O)c2ccc3ccccc3c2)c1 ZINC000000690873 212175540 /nfs/dbraw/zinc/17/55/40/212175540.db2.gz RDQSQMKFFXSSQW-JOCHJYFZSA-N 0 0 379.481 4.745 50 0 GJAARN C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000678436 212173224 /nfs/dbraw/zinc/17/32/24/212173224.db2.gz QLUMTOGTQHGBPT-FEIQLAPHSA-N 0 0 383.422 4.612 50 0 GJAARN COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccco1 ZINC000000677715 212173199 /nfs/dbraw/zinc/17/31/99/212173199.db2.gz PDMRBSNNLYFDHY-UHFFFAOYSA-N 0 0 376.368 4.539 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000000622560 212165458 /nfs/dbraw/zinc/16/54/58/212165458.db2.gz YONGGHGDZFTBGO-UHFFFAOYSA-N 0 0 389.517 4.991 50 0 GJAARN O=C(NC1CCCCCC1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000000648903 212169898 /nfs/dbraw/zinc/16/98/98/212169898.db2.gz QOBDSTPTSGWACM-UHFFFAOYSA-N 0 0 384.430 4.787 50 0 GJAARN CC1(C)Cc2nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c3cc2C(=O)C1 ZINC000000643850 212168640 /nfs/dbraw/zinc/16/86/40/212168640.db2.gz HPILHPJBTCJLPF-UHFFFAOYSA-N 0 0 384.888 4.918 50 0 GJAARN CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000646318 212168054 /nfs/dbraw/zinc/16/80/54/212168054.db2.gz BYNJCSDQCOBNAI-UHFFFAOYSA-N 0 0 388.876 4.880 50 0 GJAARN Fc1ccc(F)c(-c2nnc3sc(-c4ccc(Br)cc4)nn32)c1 ZINC000009053773 212161774 /nfs/dbraw/zinc/16/17/74/212161774.db2.gz TUTQNAJHKICALT-UHFFFAOYSA-N 0 0 393.216 4.561 50 0 GJAARN Cc1nn(C)c(Cl)c1/C=C\C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000096401774 212155209 /nfs/dbraw/zinc/15/52/09/212155209.db2.gz BMHGFBAOSMFTHG-JZHDPFOFSA-N 0 0 375.875 4.582 50 0 GJAARN C/C=C/c1ccc(OCC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)c(OC)c1 ZINC000019310879 212149846 /nfs/dbraw/zinc/14/98/46/212149846.db2.gz FKGJGUZHRZKFDX-YQTDCCHMSA-N 0 0 383.488 4.629 50 0 GJAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)cc1 ZINC000013549511 212149109 /nfs/dbraw/zinc/14/91/09/212149109.db2.gz LEQRXAGVYXKQOD-UHFFFAOYSA-N 0 0 386.407 4.628 50 0 GJAARN COc1ccccc1-c1coc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O ZINC000001448167 212144424 /nfs/dbraw/zinc/14/44/24/212144424.db2.gz JIMYXRSKKMPFRV-UHFFFAOYSA-N 0 0 390.366 4.827 50 0 GJAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCC=C(C)C)cc21 ZINC000001810054 212144158 /nfs/dbraw/zinc/14/41/58/212144158.db2.gz NQNSTBLVGBGVDR-UHFFFAOYSA-N 0 0 397.265 4.652 50 0 GJAARN CCOC(=O)c1c2cc(OCC(=O)OC(C)(C)C)ccc2oc1-c1ccccc1 ZINC000001463418 212143879 /nfs/dbraw/zinc/14/38/79/212143879.db2.gz UTEYYLLEYHMYBU-UHFFFAOYSA-N 0 0 396.439 4.997 50 0 biogenic GJAARN COC(=O)c1c(C)oc2ccc(OCc3ccccc3Br)cc21 ZINC000000623712 212143337 /nfs/dbraw/zinc/14/33/37/212143337.db2.gz PGBWNVWYCUSRBB-UHFFFAOYSA-N 0 0 375.218 4.869 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)C1(c3ccccc3)CCCC1)CC2 ZINC000000820018 212143042 /nfs/dbraw/zinc/14/30/42/212143042.db2.gz BEFNZMLFQVKDCS-QGZVFWFLSA-N 0 0 379.500 4.662 50 0 biogenic GJAARN Clc1ccc([C@H]2Cn3nc(-c4nc(-c5ccsc5)no4)cc3CO2)cc1 ZINC000263619423 212142626 /nfs/dbraw/zinc/14/26/26/212142626.db2.gz YPKXZDSWAWAOQF-MRXNPFEDSA-N 0 0 384.848 4.587 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]21)C3(Cl)Cl ZINC000239275118 212133327 /nfs/dbraw/zinc/13/33/27/212133327.db2.gz BFBWEKPADQPKTF-IXRFVVGDSA-N 0 0 393.141 5.788 50 0 GJAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)CC[C@H]3c2ccccc2)c1 ZINC000239433523 212133015 /nfs/dbraw/zinc/13/30/15/212133015.db2.gz XVJHDDGBRLQPNR-OJJQZRKESA-N 0 0 395.502 5.462 50 0 GJAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(F)cc3Cl)n2)cc1 ZINC000169754592 212112354 /nfs/dbraw/zinc/11/23/54/212112354.db2.gz YJBXZDULPVIKLV-KRWDZBQOSA-N 0 0 385.826 4.815 50 0 GJAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3cccc(Cl)c3)c2n1 ZINC000003765476 209117733 /nfs/dbraw/zinc/11/77/33/209117733.db2.gz DQMCPZSEVLSKBR-UHFFFAOYSA-N 0 0 377.875 4.890 50 0 GJAARN CC[C@H](c1ccccc1)N1CC(=O)N(c2cccc(C(F)(F)F)c2C)C1=O ZINC000328595245 206230170 /nfs/dbraw/zinc/23/01/70/206230170.db2.gz OWPFQOGEIGSJGM-MRXNPFEDSA-N 0 0 376.378 4.934 50 0 GJAARN COc1cccc2cc([C@@H]3CC(c4cccc(F)c4)=NN3C(C)=O)c(Cl)nc21 ZINC000328598317 206231404 /nfs/dbraw/zinc/23/14/04/206231404.db2.gz LEYBZMUUWUXHQL-SFHVURJKSA-N 0 0 397.837 4.734 50 0 GJAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000229558477 206261159 /nfs/dbraw/zinc/26/11/59/206261159.db2.gz DQVSASKKSQRENK-SCLBCKFNSA-N 0 0 375.394 4.705 50 0 GJAARN CCSc1ccccc1C(=O)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000244986256 206279834 /nfs/dbraw/zinc/27/98/34/206279834.db2.gz JMYHZPIQQDLWLZ-IBGZPJMESA-N 0 0 389.567 4.588 50 0 GJAARN COC(=O)c1cc(COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)c(C)o1 ZINC000001151321 206290424 /nfs/dbraw/zinc/29/04/24/206290424.db2.gz KGWKQMKQJHCIKV-UHFFFAOYSA-N 0 0 390.391 4.727 50 0 biogenic GJAARN CCCc1cc2c(cc1OC(C)C)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630464 206290087 /nfs/dbraw/zinc/29/00/87/206290087.db2.gz NVPSRXIQWOOXQY-UHFFFAOYSA-N 0 0 380.440 4.971 50 0 biogenic GJAARN COC(=O)c1c(C)oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc21 ZINC000002289379 206292075 /nfs/dbraw/zinc/29/20/75/206292075.db2.gz FMUGTHCIEJIJOV-UHFFFAOYSA-N 0 0 386.272 4.802 50 0 GJAARN COc1ccc(-c2c(-c3ccc(OC)cc3O)ncnc2C(F)(F)F)cc1 ZINC000002194252 206292086 /nfs/dbraw/zinc/29/20/86/206292086.db2.gz OMNIJVGGDKGXQV-UHFFFAOYSA-N 0 0 376.334 4.552 50 0 GJAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000004023303 206292649 /nfs/dbraw/zinc/29/26/49/206292649.db2.gz OWDSQNAIMXYQHD-TXWMIOKHSA-N 0 0 386.532 4.669 50 0 biogenic GJAARN CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 ZINC000005163437 206293142 /nfs/dbraw/zinc/29/31/42/206293142.db2.gz MYQGRZNGONFWMX-UHFFFAOYSA-N 0 0 378.350 4.875 50 0 GJAARN CCCCN(C)C(=O)C1CCN(C(=O)/C=C\c2c(Cl)cccc2Cl)CC1 ZINC000096307669 206301182 /nfs/dbraw/zinc/30/11/82/206301182.db2.gz UDDKKSHKWPVDEJ-HJWRWDBZSA-N 0 0 397.346 4.504 50 0 GJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc2ccccc2c1 ZINC000000632529 206309085 /nfs/dbraw/zinc/30/90/85/206309085.db2.gz FHFASLUGZPOYFH-UHFFFAOYSA-N 0 0 383.234 4.739 50 0 GJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2Cl)NC(=O)N1 ZINC000000626444 206309137 /nfs/dbraw/zinc/30/91/37/206309137.db2.gz DUUIQLCVZDSIRH-GOSISDBHSA-N 0 0 376.884 4.624 50 0 GJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 ZINC000000631193 206309290 /nfs/dbraw/zinc/30/92/90/206309290.db2.gz AEKBBMOXLXIZAP-DLBZAZTESA-N 0 0 375.259 4.740 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)c1nn2c(Cc3ccccc3)nnc2s1 ZINC000000632787 206309605 /nfs/dbraw/zinc/30/96/05/206309605.db2.gz FXNJLXGHMNOBOS-UHFFFAOYSA-N 0 0 384.892 4.744 50 0 GJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2c(C)cccc2C)n1)CCC3 ZINC000000628751 206309654 /nfs/dbraw/zinc/30/96/54/206309654.db2.gz SYCFRTAPABSTRG-UHFFFAOYSA-N 0 0 383.542 4.836 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000000632248 206309947 /nfs/dbraw/zinc/30/99/47/206309947.db2.gz AESRNHRINLCZHF-UHFFFAOYSA-N 0 0 384.819 4.732 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)cc(=O)n1-c1ccccc1)c1ccccc1 ZINC000000636679 206310975 /nfs/dbraw/zinc/31/09/75/206310975.db2.gz IPNCJAOHNAKVEQ-UHFFFAOYSA-N 0 0 398.487 4.875 50 0 GJAARN Cc1cccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1C ZINC000000646279 206311511 /nfs/dbraw/zinc/31/15/11/206311511.db2.gz ZMYOMHLSDQEMMH-QGZVFWFLSA-N 0 0 386.757 4.766 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(OC)ccc4C)c(N)c3cc2C1 ZINC000000661854 206313546 /nfs/dbraw/zinc/31/35/46/206313546.db2.gz VNUCIKODVQQKFT-ZDUSSCGKSA-N 0 0 395.528 4.963 50 0 GJAARN COc1cccc2c1N(S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C=C2C ZINC000000663036 206314628 /nfs/dbraw/zinc/31/46/28/206314628.db2.gz XOFHBTJVXYRHLP-UHFFFAOYSA-N 0 0 377.893 4.739 50 0 GJAARN O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000674552 206315920 /nfs/dbraw/zinc/31/59/20/206315920.db2.gz KKZHCCRQXXPZLT-UHFFFAOYSA-N 0 0 389.691 4.539 50 0 GJAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NC2CCCCC2)cc1C ZINC000000689481 206317107 /nfs/dbraw/zinc/31/71/07/206317107.db2.gz UIPTWHFQWBWPLP-XSFVSMFZSA-N 0 0 382.529 4.585 50 0 GJAARN Cc1cccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)n1 ZINC000000710696 206317471 /nfs/dbraw/zinc/31/74/71/206317471.db2.gz CZTGVVKOQNWTHT-UHFFFAOYSA-N 0 0 397.272 4.984 50 0 GJAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 ZINC000000705165 206317530 /nfs/dbraw/zinc/31/75/30/206317530.db2.gz XBPOEYVBRMPMEA-XWYWGPMTSA-N 0 0 393.486 4.740 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C)ccc1NC(=O)c1ccco1 ZINC000000693065 206317724 /nfs/dbraw/zinc/31/77/24/206317724.db2.gz BHNAFYJFIUXFMY-UHFFFAOYSA-N 0 0 384.819 4.755 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)ccc21 ZINC000000702857 206317968 /nfs/dbraw/zinc/31/79/68/206317968.db2.gz FMQSFXLYUGDCOT-BJKOFHAPSA-N 0 0 390.483 4.875 50 0 GJAARN Cc1cccc(-n2c3nncn3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000000717321 206319207 /nfs/dbraw/zinc/31/92/07/206319207.db2.gz KPZGTLUVMFUIMT-UHFFFAOYSA-N 0 0 396.494 4.614 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2c(Cl)nc(Cl)c(Cl)c2Cl)c1 ZINC000000720578 206319347 /nfs/dbraw/zinc/31/93/47/206319347.db2.gz HCFWKAMIUJSVAT-UHFFFAOYSA-N 0 0 396.057 4.965 50 0 GJAARN O=C(/C=C/c1ccco1)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000711402 206319428 /nfs/dbraw/zinc/31/94/28/206319428.db2.gz ZAABPWLJOGVIQA-ONEGZZNKSA-N 0 0 375.664 4.766 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000000755057 206319955 /nfs/dbraw/zinc/31/99/55/206319955.db2.gz QWZIDJDSJNJVBQ-JOCHJYFZSA-N 0 0 385.463 4.808 50 0 GJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000000795414 206322114 /nfs/dbraw/zinc/32/21/14/206322114.db2.gz PFOIRNAWURPZNR-UHFFFAOYSA-N 0 0 381.457 4.514 50 0 GJAARN O=C(N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)c1cccnc1 ZINC000000808623 206322640 /nfs/dbraw/zinc/32/26/40/206322640.db2.gz YCRVTSMYKANZPZ-KRWDZBQOSA-N 0 0 394.689 4.773 50 0 GJAARN COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000820678 206324266 /nfs/dbraw/zinc/32/42/66/206324266.db2.gz XEWMMCNICIZVKZ-UHFFFAOYSA-N 0 0 382.463 4.883 50 0 GJAARN CC(C)CCn1nc(C(=O)Nc2ccccc2C(C)C)c2ccccc2c1=O ZINC000009365309 206324633 /nfs/dbraw/zinc/32/46/33/206324633.db2.gz QPPYPYBGQNVHKP-UHFFFAOYSA-N 0 0 377.488 4.818 50 0 GJAARN Cc1nnc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1CCc1ccccc1 ZINC000000891400 206331827 /nfs/dbraw/zinc/33/18/27/206331827.db2.gz YQSDAWLPZMQRED-KRWDZBQOSA-N 0 0 394.544 4.565 50 0 GJAARN Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Br ZINC000000850444 206327466 /nfs/dbraw/zinc/32/74/66/206327466.db2.gz DEYVHXUHZKVQPQ-UHFFFAOYSA-N 0 0 388.183 4.794 50 0 GJAARN COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000000866284 206329368 /nfs/dbraw/zinc/32/93/68/206329368.db2.gz JMKHLMUPDCXOES-UHFFFAOYSA-N 0 0 389.904 4.729 50 0 GJAARN CCOc1cc(C=O)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000873595 206330017 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O=C(Cn1c2ccccc2nc1C(F)(F)F)Oc1cccc(C(F)(F)F)c1 ZINC000001394809 206378464 /nfs/dbraw/zinc/37/84/64/206378464.db2.gz FHSADRSAANPXEL-UHFFFAOYSA-N 0 0 388.267 4.680 50 0 GJAARN CS(=O)(=O)c1cnc(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000001393337 206378468 /nfs/dbraw/zinc/37/84/68/206378468.db2.gz QZVKUAAJJZJCHR-UHFFFAOYSA-N 0 0 379.268 4.521 50 0 GJAARN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1F ZINC000001413840 206379264 /nfs/dbraw/zinc/37/92/64/206379264.db2.gz XWZALHBFOSHXIO-UHFFFAOYSA-N 0 0 391.427 4.761 50 0 GJAARN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc4c5c(cccc53)CC4)cc2)o1 ZINC000001427387 206380913 /nfs/dbraw/zinc/38/09/13/206380913.db2.gz MEHBWCLECSPYIQ-UHFFFAOYSA-N 0 0 390.464 4.703 50 0 GJAARN O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000001450868 206382545 /nfs/dbraw/zinc/38/25/45/206382545.db2.gz UBRGLRXPUPHGBK-CQSZACIVSA-N 0 0 378.086 4.878 50 0 GJAARN COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000010287121 206383332 /nfs/dbraw/zinc/38/33/32/206383332.db2.gz 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CCN(C(=O)CSc1nnc(NC(C)C)s1)c1cccc2ccccc21 ZINC000009722840 206798575 /nfs/dbraw/zinc/79/85/75/206798575.db2.gz YXLUMZLRWBPKMX-UHFFFAOYSA-N 0 0 386.546 4.657 50 0 GJAARN CCc1ccccc1NC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000009720345 206799619 /nfs/dbraw/zinc/79/96/19/206799619.db2.gz YJXGTTZGEXDWFW-LLVKDONJSA-N 0 0 397.327 4.836 50 0 GJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)OCO2 ZINC000009888792 206802658 /nfs/dbraw/zinc/80/26/58/206802658.db2.gz VSLIZQPVUJDARC-UHFFFAOYSA-N 0 0 377.440 4.630 50 0 GJAARN Cc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000010689947 206817144 /nfs/dbraw/zinc/81/71/44/206817144.db2.gz SHSPJZIQQHQSHD-QFIPXVFZSA-N 0 0 384.479 4.803 50 0 GJAARN Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000010817775 206817728 /nfs/dbraw/zinc/81/77/28/206817728.db2.gz RZUNZHJTROMRPZ-UHFFFAOYSA-N 0 0 395.315 4.648 50 0 GJAARN O=C(CSc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000010867602 206818079 /nfs/dbraw/zinc/81/80/79/206818079.db2.gz 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/nfs/dbraw/zinc/90/08/94/206900894.db2.gz ZEWLFRQOEWEZHI-UHFFFAOYSA-N 0 0 389.430 4.533 50 0 GJAARN Cc1sc2nc(CN3CCCC3)nc(N[C@H]3CCOc4ccccc43)c2c1C ZINC000012601476 206918797 /nfs/dbraw/zinc/91/87/97/206918797.db2.gz WTHAVTRZAMOJOU-KRWDZBQOSA-N 0 0 394.544 4.840 50 0 GJAARN O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012628902 206923045 /nfs/dbraw/zinc/92/30/45/206923045.db2.gz AQIVFJMIDWRAQB-HXUWFJFHSA-N 0 0 377.513 4.507 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012790560 206938410 /nfs/dbraw/zinc/93/84/10/206938410.db2.gz YLAJTZNZXKLALA-UHFFFAOYSA-N 0 0 384.867 4.804 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc2c(c1)OCCCO2 ZINC000012786168 206938983 /nfs/dbraw/zinc/93/89/83/206938983.db2.gz POUGOKCWLZBXKL-XBXARRHUSA-N 0 0 388.261 4.571 50 0 GJAARN CCc1ccc([C@H](C)NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)cc1 ZINC000012798955 206939429 /nfs/dbraw/zinc/93/94/29/206939429.db2.gz JHXZHFNBWITRFM-HRAATJIYSA-N 0 0 392.524 4.659 50 0 GJAARN COc1ccc(CCC(=O)Nc2c3ccccc3oc2C(=O)c2ccco2)cc1 ZINC000012799801 206940282 /nfs/dbraw/zinc/94/02/82/206940282.db2.gz VNUGAALMAGWRNR-UHFFFAOYSA-N 0 0 389.407 4.837 50 0 GJAARN CC(=O)Nc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)sc2C)cc1 ZINC000012927654 206953923 /nfs/dbraw/zinc/95/39/23/206953923.db2.gz MXQKPGJAGHHFJT-UHFFFAOYSA-N 0 0 379.485 4.567 50 0 GJAARN Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2c(F)cccc2Cl)no1 ZINC000012850356 206944775 /nfs/dbraw/zinc/94/47/75/206944775.db2.gz SSEGSIQAUKEWRQ-LJQANCHMSA-N 0 0 387.842 4.587 50 0 GJAARN CCCOc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000013320567 206972885 /nfs/dbraw/zinc/97/28/85/206972885.db2.gz RGWGJVOXIXSJLX-UHFFFAOYSA-N 0 0 380.532 4.557 50 0 GJAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(OCc2csc(C)n2)cc1 ZINC000012997495 206963188 /nfs/dbraw/zinc/96/31/88/206963188.db2.gz KFAPEZQTECHVCE-AWEZNQCLSA-N 0 0 382.485 4.530 50 0 GJAARN O=c1/c(=C/c2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 ZINC000013003538 206964840 /nfs/dbraw/zinc/96/48/40/206964840.db2.gz HDSXNEYBWBDJBL-SILNSSARSA-N 0 0 380.472 4.638 50 0 GJAARN CCOc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000013553117 206979958 /nfs/dbraw/zinc/97/99/58/206979958.db2.gz MZWNIFFSRTXYOW-UHFFFAOYSA-N 0 0 383.517 4.657 50 0 GJAARN Cc1cccc2cc(CN(CC(C)C)C(=O)c3cccc(Cl)c3)c(=O)[nH]c12 ZINC000013817516 207001733 /nfs/dbraw/zinc/00/17/33/207001733.db2.gz ICJYBLGWTQBBGQ-UHFFFAOYSA-N 0 0 382.891 4.788 50 0 GJAARN CCSc1ccccc1C(=O)Nc1nnc(CCc2ccc(OC)cc2)s1 ZINC000013856321 207002465 /nfs/dbraw/zinc/00/24/65/207002465.db2.gz LDQMYESEUBAUNG-UHFFFAOYSA-N 0 0 399.541 4.696 50 0 GJAARN COc1ccc2nc(NC(=O)CSCc3cccc(Cl)c3)sc2c1 ZINC000014077720 207009954 /nfs/dbraw/zinc/00/99/54/207009954.db2.gz JLKYMQPPNASSSM-UHFFFAOYSA-N 0 0 378.906 4.830 50 0 GJAARN CCn1c(SCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCO2 ZINC000013941874 207003662 /nfs/dbraw/zinc/00/36/62/207003662.db2.gz ACIDJOILVMXJDL-UHFFFAOYSA-N 0 0 387.892 4.682 50 0 GJAARN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000013939764 207004571 /nfs/dbraw/zinc/00/45/71/207004571.db2.gz JVIRMVXGMHIIKI-VCRXTVNUSA-N 0 0 384.863 4.610 50 0 GJAARN COC(=O)c1ccc(OC)c(CN(C(=O)c2ccc(C)cc2)C2CCCCC2)c1 ZINC000013961000 207006281 /nfs/dbraw/zinc/00/62/81/207006281.db2.gz ZCTZLAFVCHKXPI-UHFFFAOYSA-N 0 0 395.499 4.765 50 0 GJAARN CCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccccc1 ZINC000013961577 207006462 /nfs/dbraw/zinc/00/64/62/207006462.db2.gz ZFFVYYJVQXPLLU-QFIPXVFZSA-N 0 0 377.488 4.634 50 0 GJAARN COc1cc(C(=O)Nc2nnc(C3CC3)s2)cc(Cl)c1OCCC(C)C ZINC000013987749 207006980 /nfs/dbraw/zinc/00/69/80/207006980.db2.gz KTNOVDPWVZAQTA-UHFFFAOYSA-N 0 0 395.912 4.755 50 0 GJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000014242364 207017828 /nfs/dbraw/zinc/01/78/28/207017828.db2.gz LPPJBDHKUWVKPJ-SFHVURJKSA-N 0 0 393.414 4.834 50 0 GJAARN O=C(NCCSc1ccc(Br)cc1)c1cccc2cccnc21 ZINC000014233331 207016875 /nfs/dbraw/zinc/01/68/75/207016875.db2.gz KPDCVJKOHIZKNU-UHFFFAOYSA-N 0 0 387.302 4.519 50 0 GJAARN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000014428993 207022400 /nfs/dbraw/zinc/02/24/00/207022400.db2.gz QKLJODCXZMDOEO-SFHVURJKSA-N 0 0 392.886 4.984 50 0 GJAARN COc1cc(C(C)=O)ccc1Oc1nc2c(Cl)c(C)nn2c2ccccc21 ZINC000014247141 207018303 /nfs/dbraw/zinc/01/83/03/207018303.db2.gz LKLHEZMOIRTPEK-UHFFFAOYSA-N 0 0 381.819 4.848 50 0 GJAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(Cl)cc2)cc1 ZINC000014610584 207024744 /nfs/dbraw/zinc/02/47/44/207024744.db2.gz LHGCHRHIUNDJOW-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccccc2)cc1 ZINC000014609812 207025578 /nfs/dbraw/zinc/02/55/78/207025578.db2.gz XRLGWFRPYSIUPC-UHFFFAOYSA-N 0 0 398.466 4.812 50 0 GJAARN CSc1ccc(CNC(=O)c2oc3c(c2C)[C@@H]2N=C(C)S[C@H]2CC3)cc1 ZINC000015730020 207056545 /nfs/dbraw/zinc/05/65/45/207056545.db2.gz MGOSYLVPZZKGNA-FUHWJXTLSA-N 0 0 386.542 4.761 50 0 GJAARN O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000015539972 207053427 /nfs/dbraw/zinc/05/34/27/207053427.db2.gz BGWMKAWEKDGKSQ-QGZVFWFLSA-N 0 0 382.460 4.762 50 0 GJAARN CSc1cccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681264 207055220 /nfs/dbraw/zinc/05/52/20/207055220.db2.gz DQBVRGVMKAGBNB-UHFFFAOYSA-N 0 0 388.496 4.946 50 0 GJAARN Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)c1 ZINC000015833434 207063213 /nfs/dbraw/zinc/06/32/13/207063213.db2.gz RNLWXQWKXBBOKF-UHFFFAOYSA-N 0 0 398.528 4.776 50 0 GJAARN COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 ZINC000015831189 207064008 /nfs/dbraw/zinc/06/40/08/207064008.db2.gz XERNZQVJLGOZFK-UHFFFAOYSA-N 0 0 399.446 4.957 50 0 GJAARN Cc1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C)c1 ZINC000015860776 207064931 /nfs/dbraw/zinc/06/49/31/207064931.db2.gz SJTXGISMMJDFDI-NRFANRHFSA-N 0 0 386.495 4.684 50 0 GJAARN C[C@@H]1CCCN(C(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)C1 ZINC000015881096 207066126 /nfs/dbraw/zinc/06/61/26/207066126.db2.gz NUVQXJCYMKNHNO-QGZVFWFLSA-N 0 0 379.500 4.851 50 0 GJAARN CCN(C(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000015733447 207057715 /nfs/dbraw/zinc/05/77/15/207057715.db2.gz HACRMSHYMRQISR-UHFFFAOYSA-N 0 0 399.450 4.836 50 0 GJAARN C[C@H]1COc2ccc(C(=O)NC3CCCCCC3)cc2N1Cc1ccccc1 ZINC000015775274 207061219 /nfs/dbraw/zinc/06/12/19/207061219.db2.gz XTZPAMXWZJZAPS-SFHVURJKSA-N 0 0 378.516 4.927 50 0 GJAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccccc1 ZINC000016214264 207074891 /nfs/dbraw/zinc/07/48/91/207074891.db2.gz ZPIJKQJRJCEDBU-YPKPFQOOSA-N 0 0 385.492 4.930 50 0 GJAARN CN(C(=O)c1ccccc1C(=O)OCc1cccc(F)c1F)c1ccccc1 ZINC000016662796 207076395 /nfs/dbraw/zinc/07/63/95/207076395.db2.gz PRIPLNSQIKENBU-UHFFFAOYSA-N 0 0 381.378 4.598 50 0 GJAARN Cn1c(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 ZINC000016694806 207077870 /nfs/dbraw/zinc/07/78/70/207077870.db2.gz SYZUWDRUQOGBAG-QFIPXVFZSA-N 0 0 387.508 4.723 50 0 GJAARN CCOCc1c2ccccc2oc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000016054114 207071810 /nfs/dbraw/zinc/07/18/10/207071810.db2.gz CLEHPFLANFJSKA-UHFFFAOYSA-N 0 0 377.396 4.636 50 0 GJAARN Cc1cc(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)ccc1Cl ZINC000017124750 207085260 /nfs/dbraw/zinc/08/52/60/207085260.db2.gz UTTRUFDPANOQSP-UHFFFAOYSA-N 0 0 392.843 4.862 50 0 GJAARN O=C(Nc1nnc(SCc2ccccc2F)s1)Nc1ccc(F)cc1 ZINC000017123682 207085668 /nfs/dbraw/zinc/08/56/68/207085668.db2.gz SRSANNAONCWDDP-UHFFFAOYSA-N 0 0 378.429 4.753 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)NC4CCCCCC4)sc3n2)cc1 ZINC000016992494 207080918 /nfs/dbraw/zinc/08/09/18/207080918.db2.gz IASXCIFNOJVGAL-UHFFFAOYSA-N 0 0 383.517 4.832 50 0 GJAARN CCc1ccc(-c2nc(C)c(C(=O)Oc3ccc(NC(C)=O)cc3)s2)cc1 ZINC000017344037 207089579 /nfs/dbraw/zinc/08/95/79/207089579.db2.gz VKFUETZDCSJENR-UHFFFAOYSA-N 0 0 380.469 4.859 50 0 GJAARN C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(-n2ccnc2)cc1 ZINC000018047666 207092319 /nfs/dbraw/zinc/09/23/19/207092319.db2.gz RWJZZVHOMMDKSD-MRXNPFEDSA-N 0 0 384.483 4.723 50 0 GJAARN Cc1sc(NC(=O)c2cccc(N3CCCC3=O)c2)nc1-c1ccc(F)cc1 ZINC000018085936 207093090 /nfs/dbraw/zinc/09/30/90/207093090.db2.gz UWWWJAGQLPSYDB-UHFFFAOYSA-N 0 0 395.459 4.637 50 0 GJAARN CCC[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1 ZINC000018135089 207093772 /nfs/dbraw/zinc/09/37/72/207093772.db2.gz SSGIUOCDLYCAIQ-QGZVFWFLSA-N 0 0 390.512 4.817 50 0 GJAARN CCC(=O)N1CCCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 ZINC000017247843 207087878 /nfs/dbraw/zinc/08/78/78/207087878.db2.gz SFEOFDCEMUDYCE-UHFFFAOYSA-N 0 0 376.378 4.647 50 0 GJAARN Cc1ccccc1-n1cccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000017299880 207088235 /nfs/dbraw/zinc/08/82/35/207088235.db2.gz VLSYUSNNWMONGU-QGOAFFKASA-N 0 0 377.831 4.536 50 0 GJAARN O=C(CCC(=O)Nc1ccc(Cl)cc1)Nc1nnc(C2CCCCC2)s1 ZINC000017209095 207088460 /nfs/dbraw/zinc/08/84/60/207088460.db2.gz JAYUTPHBDVPAST-UHFFFAOYSA-N 0 0 392.912 4.597 50 0 GJAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1c(Cl)cccc1Cl ZINC000019352417 207117865 /nfs/dbraw/zinc/11/78/65/207117865.db2.gz REAGIYKNYQFTHI-UHFFFAOYSA-N 0 0 398.311 4.515 50 0 GJAARN Fc1cccc(Cl)c1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 ZINC000019836799 207166226 /nfs/dbraw/zinc/16/62/26/207166226.db2.gz ZXUVVYHMGGODJH-OAQYLSRUSA-N 0 0 380.854 4.831 50 0 GJAARN COc1ccc(-c2noc(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000019816440 207162115 /nfs/dbraw/zinc/16/21/15/207162115.db2.gz LFYKACLSFRXJCD-UHFFFAOYSA-N 0 0 379.460 4.632 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1cncc(-c2nc3ccccc3o2)c1 ZINC000020103016 207178062 /nfs/dbraw/zinc/17/80/62/207178062.db2.gz QSQPBGJGXWEABX-UHFFFAOYSA-N 0 0 379.803 4.561 50 0 GJAARN O=C(/C=C/c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020149350 207180372 /nfs/dbraw/zinc/18/03/72/207180372.db2.gz NAHRDNCUKYEBBI-BUHFOSPRSA-N 0 0 388.536 4.695 50 0 GJAARN FC(F)(F)c1cnc(N2CCc3nn(-c4ccccc4)cc3C2)c(Cl)c1 ZINC000020218500 207184614 /nfs/dbraw/zinc/18/46/14/207184614.db2.gz OCYCFODJJQRQTK-UHFFFAOYSA-N 0 0 378.785 4.502 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCCCCC2)cc1 ZINC000020381331 207189337 /nfs/dbraw/zinc/18/93/37/207189337.db2.gz JSYNSODJKFQBHO-UHFFFAOYSA-N 0 0 398.503 4.896 50 0 GJAARN CCOc1ccccc1CNC(=O)[C@H](C)n1nc(-c2ccccc2)c2ccccc21 ZINC000020355688 207189636 /nfs/dbraw/zinc/18/96/36/207189636.db2.gz KTRCFHBWBGNNDC-SFHVURJKSA-N 0 0 399.494 4.979 50 0 GJAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1Cl ZINC000020356933 207190249 /nfs/dbraw/zinc/19/02/49/207190249.db2.gz KSTYGYKAZVIUQV-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1C1CCCCC1 ZINC000020386765 207190566 /nfs/dbraw/zinc/19/05/66/207190566.db2.gz HGRPUBQIGCJBSE-DEOSSOPVSA-N 0 0 382.548 4.615 50 0 GJAARN Cc1ccc(-c2csc3ncc(C(=O)NC4CCCCCCC4)c(=O)n23)cc1 ZINC000020394117 207191497 /nfs/dbraw/zinc/19/14/97/207191497.db2.gz VSLTWYRGTSMKGO-UHFFFAOYSA-N 0 0 395.528 4.574 50 0 GJAARN C[C@H]1CCCCN1c1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000020464568 207196956 /nfs/dbraw/zinc/19/69/56/207196956.db2.gz UMAIHRHNLQCAKA-JTQLQIEISA-N 0 0 385.415 4.580 50 0 GJAARN CCOc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)cc1 ZINC000020578125 207204306 /nfs/dbraw/zinc/20/43/06/207204306.db2.gz XRHABKFQIPIUDB-UHFFFAOYSA-N 0 0 395.528 4.900 50 0 GJAARN CC(C)CCSc1nc2sc3c(c2c(N)n1)CCN(Cc1ccccc1)C3 ZINC000020827565 207215614 /nfs/dbraw/zinc/21/56/14/207215614.db2.gz STZQANZRKJAPKC-UHFFFAOYSA-N 0 0 398.601 4.970 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1Cl)SCC(=O)N2 ZINC000020892148 207217923 /nfs/dbraw/zinc/21/79/23/207217923.db2.gz WTKMGKDSJLXHIL-GOSISDBHSA-N 0 0 387.867 4.748 50 0 GJAARN COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000020892214 207217951 /nfs/dbraw/zinc/21/79/51/207217951.db2.gz DYPPGCWNIXTFKP-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(OC)cc2)cc1 ZINC000020898912 207217975 /nfs/dbraw/zinc/21/79/75/207217975.db2.gz GUYWFPKLMGDMPO-NRFANRHFSA-N 0 0 393.512 4.526 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(F)c1)SCC(=O)N2 ZINC000020892101 207218661 /nfs/dbraw/zinc/21/86/61/207218661.db2.gz NSQHJBVBWQRGRR-GOSISDBHSA-N 0 0 387.867 4.748 50 0 GJAARN C[C@@H](CNC(=O)c1ccc(N2CCOc3ccccc32)s1)c1ccccc1 ZINC000020992011 207222240 /nfs/dbraw/zinc/22/22/40/207222240.db2.gz OMMZAVMJEVPREX-INIZCTEOSA-N 0 0 378.497 4.812 50 0 GJAARN CCc1cccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000021034174 207224258 /nfs/dbraw/zinc/22/42/58/207224258.db2.gz GBNFWBLHXDMHKY-UHFFFAOYSA-N 0 0 382.485 4.891 50 0 GJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2)cc1 ZINC000021106768 207225508 /nfs/dbraw/zinc/22/55/08/207225508.db2.gz SAEFIHBOOUZJIF-FQEVSTJZSA-N 0 0 379.847 4.510 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000021089477 207225826 /nfs/dbraw/zinc/22/58/26/207225826.db2.gz BJRRFCRIAYWADN-UHFFFAOYSA-N 0 0 386.407 4.924 50 0 GJAARN COc1ccc(Cl)cc1Nc1c2[nH]cccc-2c(=O)n1-c1ccc(C)cc1 ZINC000021107902 207225854 /nfs/dbraw/zinc/22/58/54/207225854.db2.gz YHMNOEYARUYOFX-FQEVSTJZSA-N 0 0 379.847 4.823 50 0 GJAARN Cc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000021101273 207226055 /nfs/dbraw/zinc/22/60/55/207226055.db2.gz IZPOWJXLEDIOKL-UHFFFAOYSA-N 0 0 390.462 4.874 50 0 biogenic GJAARN Cc1cccc(-c2nc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n[nH]2)c1 ZINC000021099016 207226093 /nfs/dbraw/zinc/22/60/93/207226093.db2.gz BBRODKHDCFDXHY-UHFFFAOYSA-N 0 0 382.876 4.567 50 0 GJAARN COc1cc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)cc(OC)c1O ZINC000021158383 207227522 /nfs/dbraw/zinc/22/75/22/207227522.db2.gz CVUZVKUPFTVQID-UHFFFAOYSA-N 0 0 382.441 4.534 50 0 GJAARN CCCCOc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2)ns1 ZINC000021175550 207228024 /nfs/dbraw/zinc/22/80/24/207228024.db2.gz CBCREFWZFBLSBK-UHFFFAOYSA-N 0 0 383.473 4.645 50 0 GJAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)c(OC)c1 ZINC000021890622 207241745 /nfs/dbraw/zinc/24/17/45/207241745.db2.gz USIHULBBDWGXOA-OAHLLOKOSA-N 0 0 377.444 4.603 50 0 GJAARN CCOc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021639120 207232865 /nfs/dbraw/zinc/23/28/65/207232865.db2.gz USTUABNDYHQSSM-OAQYLSRUSA-N 0 0 399.450 4.655 50 0 GJAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)NCc3ccccc3)n2)cc1 ZINC000021656778 207233740 /nfs/dbraw/zinc/23/37/40/207233740.db2.gz BBWSQVIOQOJRNW-UHFFFAOYSA-N 0 0 387.508 4.903 50 0 GJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1ccc(F)cc1Cl)CC(=O)N2 ZINC000021660912 207233909 /nfs/dbraw/zinc/23/39/09/207233909.db2.gz MAINONIXGFFGPK-CYBMUJFWSA-N 0 0 396.809 4.589 50 0 GJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccnc2)cc1 ZINC000021715821 207234783 /nfs/dbraw/zinc/23/47/83/207234783.db2.gz NASZWNRTPPVFDZ-DEOSSOPVSA-N 0 0 397.478 4.750 50 0 GJAARN CC(C)(C)c1cc([C@H](c2ccncc2)N2CCOCC2)cc(C(C)(C)C)c1O ZINC000021673405 207234810 /nfs/dbraw/zinc/23/48/10/207234810.db2.gz BKNZBXOKANILIF-NRFANRHFSA-N 0 0 382.548 4.804 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000021794146 207238740 /nfs/dbraw/zinc/23/87/40/207238740.db2.gz IBFAULGJBSFLAY-UHFFFAOYSA-N 0 0 387.487 4.690 50 0 GJAARN CCn1c(Sc2ncnc3sc4c(c32)CC[C@H](C)C4)nnc1-c1ccco1 ZINC000022061334 207246487 /nfs/dbraw/zinc/24/64/87/207246487.db2.gz QPWYSFHBVKEYEK-NSHDSACASA-N 0 0 397.529 4.839 50 0 GJAARN Cc1nc2nc(Cc3cccc(F)c3)nn2c(NCc2ccccc2Cl)c1C ZINC000021941645 207243864 /nfs/dbraw/zinc/24/38/64/207243864.db2.gz NJKBKBNHNVBYBZ-UHFFFAOYSA-N 0 0 395.869 4.737 50 0 GJAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022381975 207253899 /nfs/dbraw/zinc/25/38/99/207253899.db2.gz CNQZONCZGSJRJK-UHFFFAOYSA-N 0 0 391.805 4.604 50 0 GJAARN COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C)CC2)cc1 ZINC000022437081 207254327 /nfs/dbraw/zinc/25/43/27/207254327.db2.gz ZFJBNRDWJUOPOI-UHFFFAOYSA-N 0 0 391.519 4.805 50 0 GJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccc3c(c2)OCO3)CC1 ZINC000022623087 207258642 /nfs/dbraw/zinc/25/86/42/207258642.db2.gz DFUYVWRYRBAEIW-UHFFFAOYSA-N 0 0 392.282 4.817 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccccc1C)CC2 ZINC000023058109 207268306 /nfs/dbraw/zinc/26/83/06/207268306.db2.gz IYQRSSKXNCEBQJ-DEOSSOPVSA-N 0 0 387.479 4.800 50 0 GJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023058383 207269062 /nfs/dbraw/zinc/26/90/62/207269062.db2.gz SHXIOOCEDGUAGU-AWEZNQCLSA-N 0 0 384.863 4.655 50 0 GJAARN O=C(c1cccc(F)c1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023312564 207273630 /nfs/dbraw/zinc/27/36/30/207273630.db2.gz UDGGHVAUPLRQGF-HSZRJFAPSA-N 0 0 392.449 4.512 50 0 GJAARN CCCCc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 ZINC000023362796 207274499 /nfs/dbraw/zinc/27/44/99/207274499.db2.gz LYNBXRMWONXOFF-UHFFFAOYSA-N 0 0 381.501 4.625 50 0 GJAARN CC[C@@H](CNC(=O)c1ccc(SCc2nc(C)no2)cc1)c1ccccc1 ZINC000023007365 207266716 /nfs/dbraw/zinc/26/67/16/207266716.db2.gz MZEBGCPQJFQLDA-INIZCTEOSA-N 0 0 381.501 4.594 50 0 GJAARN Cc1c(C(=O)N[C@@H](C)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022990261 207267700 /nfs/dbraw/zinc/26/77/00/207267700.db2.gz NFEKZNYGEBTAAY-NSHDSACASA-N 0 0 379.407 4.752 50 0 GJAARN O=C(CSc1nccn1-c1ccccc1)NC1c2ccccc2-c2ccccc21 ZINC000024928172 207298259 /nfs/dbraw/zinc/29/82/59/207298259.db2.gz SSPIPKIRBNWIID-UHFFFAOYSA-N 0 0 397.503 4.851 50 0 GJAARN CNc1nc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc21 ZINC000024977958 207298545 /nfs/dbraw/zinc/29/85/45/207298545.db2.gz UHSAQTSXRDVIJQ-GFCCVEGCSA-N 0 0 386.908 4.753 50 0 GJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2ccc(C(F)(F)F)cc2)c1Cl ZINC000024762967 207294195 /nfs/dbraw/zinc/29/41/95/207294195.db2.gz VSBSAUFVTFZYPE-UHFFFAOYSA-N 0 0 399.583 5.000 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 ZINC000024775829 207294448 /nfs/dbraw/zinc/29/44/48/207294448.db2.gz AZBAXVCRYWDPCY-UHFFFAOYSA-N 0 0 375.852 4.933 50 0 GJAARN C[C@@H](Sc1nncc2ccccc21)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000024771982 207295271 /nfs/dbraw/zinc/29/52/71/207295271.db2.gz WSTGHCHDMCJQHB-LLVKDONJSA-N 0 0 393.390 4.648 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(OCc2ccc(F)cc2)c1 ZINC000024859145 207295732 /nfs/dbraw/zinc/29/57/32/207295732.db2.gz PPKIXKXBUPOXLD-UHFFFAOYSA-N 0 0 393.414 4.818 50 0 GJAARN Cc1sc2nc(SCc3ncc(-c4ccc(F)cc4)o3)nc(N)c2c1C ZINC000024834044 207295761 /nfs/dbraw/zinc/29/57/61/207295761.db2.gz MDVNZUKBIOWOLV-UHFFFAOYSA-N 0 0 386.477 4.977 50 0 GJAARN CC(C)c1ccc(/C=C/C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000025700687 207306103 /nfs/dbraw/zinc/30/61/03/207306103.db2.gz LZYIUKVERYZKDG-NTEUORMPSA-N 0 0 377.484 4.803 50 0 GJAARN CC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000025637393 207306185 /nfs/dbraw/zinc/30/61/85/207306185.db2.gz RNJIPFSILZHZJW-UHFFFAOYSA-N 0 0 388.486 4.940 50 0 GJAARN C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000025105077 207301081 /nfs/dbraw/zinc/30/10/81/207301081.db2.gz XFKXFXWRKPORCE-ZDUSSCGKSA-N 0 0 381.530 4.868 50 0 GJAARN Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000025400590 207303362 /nfs/dbraw/zinc/30/33/62/207303362.db2.gz QGWDBZVQLKCHII-MRXNPFEDSA-N 0 0 388.496 4.848 50 0 GJAARN O[C@H](c1ccccc1)C1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000025454410 207304746 /nfs/dbraw/zinc/30/47/46/207304746.db2.gz PWYDVZKUZVVGQG-GOSISDBHSA-N 0 0 387.405 4.599 50 0 GJAARN CC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccccc3F)on2)cc1 ZINC000038754236 207318353 /nfs/dbraw/zinc/31/83/53/207318353.db2.gz CJLSPQULJNTNCH-UHFFFAOYSA-N 0 0 384.476 4.840 50 0 GJAARN O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000027153951 207321918 /nfs/dbraw/zinc/32/19/18/207321918.db2.gz UDZZJLJGJXATLD-GOSISDBHSA-N 0 0 383.513 4.766 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NC2CCCCC2)[nH]n1 ZINC000038651919 207313449 /nfs/dbraw/zinc/31/34/49/207313449.db2.gz QFEFBLBZDSCAEI-UHFFFAOYSA-N 0 0 384.480 4.710 50 0 GJAARN Cc1ccc(NC(=O)Cc2ccc(SC(C)C)cc2)cc1N1CCCC1=O ZINC000038677645 207316256 /nfs/dbraw/zinc/31/62/56/207316256.db2.gz MKQHPQLYOVLTIQ-UHFFFAOYSA-N 0 0 382.529 4.804 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)cc1 ZINC000027851369 207331324 /nfs/dbraw/zinc/33/13/24/207331324.db2.gz LGUOCGUVDDCKII-LSDHHAIUSA-N 0 0 382.451 4.898 50 0 GJAARN Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cs2)cc1 ZINC000027851377 207331330 /nfs/dbraw/zinc/33/13/30/207331330.db2.gz LGUOCGUVDDCKII-GJZGRUSLSA-N 0 0 382.451 4.898 50 0 GJAARN Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccccc3F)cc(=O)c2c1 ZINC000027992852 207332742 /nfs/dbraw/zinc/33/27/42/207332742.db2.gz LNLZLTGTTSIBMN-UHFFFAOYSA-N 0 0 391.398 4.676 50 0 GJAARN CCOc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1OC ZINC000027994097 207333379 /nfs/dbraw/zinc/33/33/79/207333379.db2.gz AOHZQYBNWBUBNR-UHFFFAOYSA-N 0 0 389.864 4.518 50 0 GJAARN Cc1csc(-c2ccc(OS(=O)(=O)c3cccc4cc(C)cnc43)cc2)n1 ZINC000028046945 207334534 /nfs/dbraw/zinc/33/45/34/207334534.db2.gz OLSBGMYABISEBN-UHFFFAOYSA-N 0 0 396.493 4.743 50 0 GJAARN Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cc(C)ccn3)n2)c1 ZINC000027663795 207328450 /nfs/dbraw/zinc/32/84/50/207328450.db2.gz AONPILGXLFBKEZ-UHFFFAOYSA-N 0 0 384.892 4.686 50 0 GJAARN Cc1cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(C)n1Cc1ccco1 ZINC000040062952 207336298 /nfs/dbraw/zinc/33/62/98/207336298.db2.gz OYUVFVLBFASASN-OAQYLSRUSA-N 0 0 394.471 4.556 50 0 GJAARN O[C@H](CSc1nnc(Nc2ccccc2F)s1)c1ccc(Cl)cc1 ZINC000040050238 207336545 /nfs/dbraw/zinc/33/65/45/207336545.db2.gz BQXSRKQKOZVBIY-CQSZACIVSA-N 0 0 381.885 4.900 50 0 GJAARN CC(C)(C)c1nc2cc(NC(=O)CCc3nnc(-c4ccccc4)o3)ccc2o1 ZINC000040081643 207338355 /nfs/dbraw/zinc/33/83/55/207338355.db2.gz LPFDZFIHWYBNCQ-UHFFFAOYSA-N 0 0 390.443 4.747 50 0 GJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028293746 207339235 /nfs/dbraw/zinc/33/92/35/207339235.db2.gz HTJFTBKDTQRZPB-OAHLLOKOSA-N 0 0 384.838 4.875 50 0 GJAARN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2)c1 ZINC000028291334 207339827 /nfs/dbraw/zinc/33/98/27/207339827.db2.gz RCJJILXARBGJOI-GOSISDBHSA-N 0 0 377.488 4.769 50 0 GJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(Cc1cccnc1)C1CC1 ZINC000028517227 207342386 /nfs/dbraw/zinc/34/23/86/207342386.db2.gz BORSVMNPEHNAGT-UHFFFAOYSA-N 0 0 383.904 4.972 50 0 GJAARN O=C(Nc1nccs1)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000040140108 207348789 /nfs/dbraw/zinc/34/87/89/207348789.db2.gz SNYXQUVDLCYHEU-OAHLLOKOSA-N 0 0 389.274 4.664 50 0 GJAARN CC(C)N(Cc1cnn(C)c1)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000040157044 207357796 /nfs/dbraw/zinc/35/77/96/207357796.db2.gz ZMNZMOBLYCOQPJ-PKNBQFBNSA-N 0 0 383.492 4.738 50 0 GJAARN O=C(OC[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1cccc(Cl)c1 ZINC000040158877 207359449 /nfs/dbraw/zinc/35/94/49/207359449.db2.gz PODJCQWGVMRAAJ-AWEZNQCLSA-N 0 0 392.282 4.703 50 0 GJAARN Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)c(C)c1 ZINC000029584978 207364615 /nfs/dbraw/zinc/36/46/15/207364615.db2.gz RDCGQWWZVCYARY-LBPRGKRZSA-N 0 0 397.422 4.546 50 0 GJAARN COc1cccc(-c2nc(C(=O)N(C)[C@H]3CCc4ccccc43)cs2)c1OC ZINC000029648454 207364754 /nfs/dbraw/zinc/36/47/54/207364754.db2.gz ZBSQGRPWHKVMRW-SFHVURJKSA-N 0 0 394.496 4.587 50 0 GJAARN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000030835916 207375498 /nfs/dbraw/zinc/37/54/98/207375498.db2.gz RAVABGJRVOVNKO-UHFFFAOYSA-N 0 0 387.460 4.872 50 0 GJAARN O=C(c1cccc(OCc2cscn2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000031335173 207381356 /nfs/dbraw/zinc/38/13/56/207381356.db2.gz UMFDWZXHGBOLBF-UHFFFAOYSA-N 0 0 392.524 4.817 50 0 GJAARN CC(C)[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccs1 ZINC000031708063 207383502 /nfs/dbraw/zinc/38/35/02/207383502.db2.gz ARRWOVAKUDSIEQ-QGZVFWFLSA-N 0 0 375.519 4.696 50 0 GJAARN Cc1ccc(C(=O)c2c(N)c(-c3nc4cc(C)ccc4[nH]3)c3ccccn32)cc1 ZINC000031848425 207385993 /nfs/dbraw/zinc/38/59/93/207385993.db2.gz MVPVSDPXKGXSCK-UHFFFAOYSA-N 0 0 380.451 4.913 50 0 GJAARN O=C(Nc1cccc(Br)c1)c1ccc(OCc2cccnc2)cc1 ZINC000032034504 207389558 /nfs/dbraw/zinc/38/95/58/207389558.db2.gz ARZFWBFDLJQYJK-UHFFFAOYSA-N 0 0 383.245 4.675 50 0 GJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000032095837 207390394 /nfs/dbraw/zinc/39/03/94/207390394.db2.gz MIHXJJVTNJZUJO-MRXNPFEDSA-N 0 0 398.825 4.823 50 0 GJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(OC(C)C)c1)CC(=O)N2 ZINC000032093769 207390595 /nfs/dbraw/zinc/39/05/95/207390595.db2.gz OLSSVEUHUDSLPD-HNNXBMFYSA-N 0 0 397.866 4.535 50 0 GJAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1 ZINC000032074422 207391444 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C[C@@H](NC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)c1ccco1 ZINC000064956043 207821828 /nfs/dbraw/zinc/82/18/28/207821828.db2.gz XLSRBUNMIRWRHD-CQSZACIVSA-N 0 0 379.847 4.822 50 0 GJAARN CCCn1cc(-c2nc(-c3ccc(OCC)cc3)no2)c(=O)c2ccccc21 ZINC000064963666 207823435 /nfs/dbraw/zinc/82/34/35/207823435.db2.gz SWTZLRHAVSFGRP-UHFFFAOYSA-N 0 0 375.428 4.527 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1cccc[n+]1[O-] ZINC000065123473 207836205 /nfs/dbraw/zinc/83/62/05/207836205.db2.gz STUJJMZTQWOWCG-UHFFFAOYSA-N 0 0 392.308 4.523 50 0 GJAARN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCc1cccs1 ZINC000064820251 207814098 /nfs/dbraw/zinc/81/40/98/207814098.db2.gz OJVKDELPZDFICD-UHFFFAOYSA-N 0 0 397.319 4.508 50 0 GJAARN C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccc(F)cc1 ZINC000064955864 207820679 /nfs/dbraw/zinc/82/06/79/207820679.db2.gz HJNBYAFYKCNPBS-HNNXBMFYSA-N 0 0 391.421 4.854 50 0 GJAARN O=c1c2ccccc2c(-c2cccs2)nn1Cc1cccc(OC(F)F)c1 ZINC000065233632 207847835 /nfs/dbraw/zinc/84/78/35/207847835.db2.gz 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GJAARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(F)cccc1Cl)SCC(=O)N2 ZINC000079474984 208075540 /nfs/dbraw/zinc/07/55/40/208075540.db2.gz INNRLNRBOFZGEW-KRWDZBQOSA-N 0 0 388.855 4.792 50 0 GJAARN CCCc1cc(C(=O)N(Cc2cccnc2)[C@H]2CCCc3ccccc32)no1 ZINC000082158533 208082371 /nfs/dbraw/zinc/08/23/71/208082371.db2.gz XFPRVVAFGGBBRD-QFIPXVFZSA-N 0 0 375.472 4.742 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)n1 ZINC000082230638 208084808 /nfs/dbraw/zinc/08/48/08/208084808.db2.gz IQCONMMUOIQIEV-UHFFFAOYSA-N 0 0 392.463 4.613 50 0 GJAARN Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1cccc2ccccc21)C(F)(F)F ZINC000084011917 208087642 /nfs/dbraw/zinc/08/76/42/208087642.db2.gz DXHQHJHVUWHCIC-KRWDZBQOSA-N 0 0 376.382 4.615 50 0 GJAARN COc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3nc4ccccc4n3C)oc2c1 ZINC000091519278 208122455 /nfs/dbraw/zinc/12/24/55/208122455.db2.gz RWAAXDWMJJDJMR-LJQANCHMSA-N 0 0 389.455 4.614 50 0 GJAARN Cc1nc2cc(OCc3nc(C(=O)NCCCC(C)(C)C)co3)ccc2s1 ZINC000091757330 208135033 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O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(F)c(Cl)cc1Cl ZINC000014198949 221304106 /nfs/dbraw/zinc/30/41/06/221304106.db2.gz VJTKOTPGFDLTCH-INIZCTEOSA-N 0 0 385.266 4.683 50 0 GJAARN COc1ccc(CN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C2CC2)cc1 ZINC000014252227 221307354 /nfs/dbraw/zinc/30/73/54/221307354.db2.gz RLRRRWCLMUJROQ-UHFFFAOYSA-N 0 0 383.488 4.543 50 0 GJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2cccs2)cc1 ZINC000014461724 221311101 /nfs/dbraw/zinc/31/11/01/221311101.db2.gz HWNCVEKYSJCUMN-CRAIPNDOSA-N 0 0 397.525 4.636 50 0 GJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000014609529 221313504 /nfs/dbraw/zinc/31/35/04/221313504.db2.gz HIGUMDDJOFVAAM-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(F)cc3)s2)c1C ZINC000014608843 221313783 /nfs/dbraw/zinc/31/37/83/221313783.db2.gz HVVUZXSXOQGVLN-UHFFFAOYSA-N 0 0 386.496 4.988 50 0 GJAARN COc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 ZINC000014676162 221314375 /nfs/dbraw/zinc/31/43/75/221314375.db2.gz 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221336737 /nfs/dbraw/zinc/33/67/37/221336737.db2.gz GBTDRRNZQLYGRP-XMMPIXPASA-N 0 0 388.467 4.784 50 0 GJAARN Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)C2CCCC2)CC3)cc1 ZINC000015063638 221327813 /nfs/dbraw/zinc/32/78/13/221327813.db2.gz ULBILSRSIRQCMN-UHFFFAOYSA-N 0 0 390.527 4.641 50 0 GJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)Cc1cccs1 ZINC000015063976 221328383 /nfs/dbraw/zinc/32/83/83/221328383.db2.gz XAMZHROOJYFNKH-SFHVURJKSA-N 0 0 379.529 4.615 50 0 GJAARN Cc1nc2cc(OCc3nc(C(=O)N4CCCCCCC4)co3)ccc2s1 ZINC000015072365 221331612 /nfs/dbraw/zinc/33/16/12/221331612.db2.gz KPIAGABFDSWVGE-UHFFFAOYSA-N 0 0 385.489 4.578 50 0 GJAARN COc1cccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000015620248 221337458 /nfs/dbraw/zinc/33/74/58/221337458.db2.gz MCOOXHGQBBLHEX-MDZDMXLPSA-N 0 0 378.497 4.724 50 0 GJAARN Cc1cc(C)c2c(n1)sc1c2NCN(c2ccccc2Br)C1=O ZINC000015670719 221338723 /nfs/dbraw/zinc/33/87/23/221338723.db2.gz PMWONUUOPDFVBP-UHFFFAOYSA-N 0 0 388.290 4.705 50 0 GJAARN COc1ccc(NC(=O)c2cnc(SC)nc2-c2ccccc2)cc1Cl ZINC000015681109 221340262 /nfs/dbraw/zinc/34/02/62/221340262.db2.gz OQXRGQKNHATDFQ-UHFFFAOYSA-N 0 0 385.876 4.780 50 0 GJAARN Cc1ccc(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c(Cl)c1 ZINC000015681681 221340534 /nfs/dbraw/zinc/34/05/34/221340534.db2.gz MNIBOUZBHAOCGU-UHFFFAOYSA-N 0 0 399.853 4.658 50 0 GJAARN O=C(NC1CCCC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000015724643 221341081 /nfs/dbraw/zinc/34/10/81/221341081.db2.gz UUDKSNWTQREQBF-JOCHJYFZSA-N 0 0 377.463 4.907 50 0 GJAARN CCOc1ccc(-c2nc(CNC(=O)Nc3cccc(C)c3C)c(C)o2)cc1 ZINC000015774845 221344325 /nfs/dbraw/zinc/34/43/25/221344325.db2.gz QVJBOLXLNWDELW-UHFFFAOYSA-N 0 0 379.460 4.987 50 0 GJAARN Cc1c(C[NH2+]C[C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776856 221344869 /nfs/dbraw/zinc/34/48/69/221344869.db2.gz OSPPMCWMUUIEBH-MRXNPFEDSA-N 0 0 394.490 4.884 50 0 GJAARN CCCCCSc1nn(C)c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000015839257 221346691 /nfs/dbraw/zinc/34/66/91/221346691.db2.gz MTDDGGBUWNPOEX-QFIPXVFZSA-N 0 0 396.560 4.601 50 0 GJAARN Cc1ccc([C@@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1C ZINC000015839761 221346996 /nfs/dbraw/zinc/34/69/96/221346996.db2.gz WYBHNFZSOPWHQQ-HXUWFJFHSA-N 0 0 395.300 4.980 50 0 GJAARN Cc1ccc([C@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1 ZINC000015839694 221347211 /nfs/dbraw/zinc/34/72/11/221347211.db2.gz XUVOAYATKDXEFT-IBGZPJMESA-N 0 0 381.273 4.672 50 0 GJAARN CN1c2ccc(NC(=O)/C=C/c3ccco3)cc2Sc2ccccc2C1=O ZINC000015826052 221347222 /nfs/dbraw/zinc/34/72/22/221347222.db2.gz LXAJJPCVIDRSOK-PKNBQFBNSA-N 0 0 376.437 4.673 50 0 GJAARN CCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)c2cccnc12 ZINC000015841027 221347487 /nfs/dbraw/zinc/34/74/87/221347487.db2.gz WSPGLHLIAZCVFL-INIZCTEOSA-N 0 0 378.472 4.992 50 0 GJAARN Cc1ccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)cc1 ZINC000015840425 221347770 /nfs/dbraw/zinc/34/77/70/221347770.db2.gz CTOKMTRSTNVISF-UHFFFAOYSA-N 0 0 382.916 4.975 50 0 GJAARN 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/nfs/dbraw/zinc/75/46/14/221754614.db2.gz BTEAWTWDDAZYCQ-UHFFFAOYSA-N 0 0 388.558 4.902 50 0 GJAARN CCOc1ccc(C(=O)c2sc(Nc3cccc(SC)c3)nc2N)cc1 ZINC000032947769 221755173 /nfs/dbraw/zinc/75/51/73/221755173.db2.gz RSNPJDJUYKSWRH-UHFFFAOYSA-N 0 0 385.514 4.821 50 0 GJAARN Cc1ccc(C(=O)c2sc(Nc3ccc(Br)cc3)nc2N)cc1 ZINC000032947436 221755307 /nfs/dbraw/zinc/75/53/07/221755307.db2.gz OVVFZVHXSJTYAJ-UHFFFAOYSA-N 0 0 388.290 4.771 50 0 GJAARN Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4c(C)cc(C)cc4C)C3)c2c1C ZINC000032959982 221757898 /nfs/dbraw/zinc/75/78/98/221757898.db2.gz ASFOUYXEIGKWOZ-SFHVURJKSA-N 0 0 392.503 4.620 50 0 GJAARN COc1cc(-c2nc(C(=O)NCCC(C)C)cs2)ccc1OCC(C)C ZINC000034712620 221803406 /nfs/dbraw/zinc/80/34/06/221803406.db2.gz GZPBERRPRAIAMH-UHFFFAOYSA-N 0 0 376.522 4.629 50 0 GJAARN CC[C@H]1CN(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2S1 ZINC000033059356 221766879 /nfs/dbraw/zinc/76/68/79/221766879.db2.gz BYPFLVSGFSLPOI-AWEZNQCLSA-N 0 0 376.909 4.678 50 0 GJAARN COc1ccc2[nH]c(CSCC(=O)Nc3ccc(C(C)C)cc3)cc(=O)c2c1 ZINC000033064240 221768883 /nfs/dbraw/zinc/76/88/83/221768883.db2.gz HISQKUNHCWOPTD-UHFFFAOYSA-N 0 0 396.512 4.532 50 0 GJAARN O=C(NC1CCCC1)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1 ZINC000033130931 221774539 /nfs/dbraw/zinc/77/45/39/221774539.db2.gz NIITWIKCNDVHJU-UHFFFAOYSA-N 0 0 377.419 4.747 50 0 GJAARN COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2ccc(F)cc2)s1 ZINC000033251778 221778573 /nfs/dbraw/zinc/77/85/73/221778573.db2.gz LDQHYPPQQZBJDD-UHFFFAOYSA-N 0 0 377.828 4.501 50 0 GJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCc3cccc(Cl)c3)C2)s1 ZINC000033299542 221785190 /nfs/dbraw/zinc/78/51/90/221785190.db2.gz IHUDKBBGBDXFAN-INIZCTEOSA-N 0 0 399.947 4.791 50 0 GJAARN Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3F)n2)c1 ZINC000035319199 221818595 /nfs/dbraw/zinc/81/85/95/221818595.db2.gz GYVRCNVCKMRNLM-KRWDZBQOSA-N 0 0 384.386 4.692 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429964 221822065 /nfs/dbraw/zinc/82/20/65/221822065.db2.gz KPVWXMFVGJEDLE-UHFFFAOYSA-N 0 0 384.439 4.943 50 0 GJAARN COCCNC(=O)c1sc2c(cnc3c(F)cccc23)c1-c1ccccc1 ZINC000035481645 221826301 /nfs/dbraw/zinc/82/63/01/221826301.db2.gz DAWDBTYXRHXBQI-UHFFFAOYSA-N 0 0 380.444 4.632 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000035684662 221832511 /nfs/dbraw/zinc/83/25/11/221832511.db2.gz KMMYMKJFWDUYKI-INIZCTEOSA-N 0 0 384.798 4.514 50 0 GJAARN Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000036104101 221842348 /nfs/dbraw/zinc/84/23/48/221842348.db2.gz RUOVADTYGGUNNG-JOCHJYFZSA-N 0 0 397.465 4.715 50 0 GJAARN COc1cccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248780 221848391 /nfs/dbraw/zinc/84/83/91/221848391.db2.gz SIZMOINPCITZPT-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)[C@@H]1c1ccccc1 ZINC000036366342 221854879 /nfs/dbraw/zinc/85/48/79/221854879.db2.gz DJABWDIXJBYBJW-PKTZIBPZSA-N 0 0 395.462 4.717 50 0 GJAARN CCn1ncc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1C ZINC000036614120 221860885 /nfs/dbraw/zinc/86/08/85/221860885.db2.gz RJDKMMWXSJJYBU-UHFFFAOYSA-N 0 0 395.816 4.953 50 0 GJAARN COc1cc(COC(=O)CCc2ccc3ccccc3n2)ccc1OC(F)F ZINC000036776733 221867683 /nfs/dbraw/zinc/86/76/83/221867683.db2.gz VEIWIWUBJDHTRR-UHFFFAOYSA-N 0 0 387.382 4.521 50 0 GJAARN C[C@H](NC(=O)/C=C1/Sc2ccccc2N(C)C1=O)c1cccc2ccccc21 ZINC000037384381 221869579 /nfs/dbraw/zinc/86/95/79/221869579.db2.gz MXUSAQTWRBXVCN-HBBMIWKISA-N 0 0 388.492 4.670 50 0 GJAARN Cc1cc2c(cc(C(=O)N3CCOCC3)n2Cc2ccc(C(C)(C)C)cc2)s1 ZINC000037526691 221873480 /nfs/dbraw/zinc/87/34/80/221873480.db2.gz ZOJGSMDLZOUDJB-UHFFFAOYSA-N 0 0 396.556 4.829 50 0 GJAARN COc1cccc(NC(=S)N(Cc2ccc(C)cc2)Cc2ccccn2)c1 ZINC000037868522 221874469 /nfs/dbraw/zinc/87/44/69/221874469.db2.gz UXWFYIPACUBMRR-UHFFFAOYSA-N 0 0 377.513 4.798 50 0 GJAARN COc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC ZINC000038671362 221882529 /nfs/dbraw/zinc/88/25/29/221882529.db2.gz WRIDOWUBKIATRZ-UHFFFAOYSA-N 0 0 397.456 4.674 50 0 GJAARN COc1ccccc1[C@@H](O)CNC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000040098561 221904237 /nfs/dbraw/zinc/90/42/37/221904237.db2.gz GIWJIHPJBLXEOM-AWEZNQCLSA-N 0 0 389.666 4.511 50 0 GJAARN CCCCCNC(=O)C1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000040108102 221906832 /nfs/dbraw/zinc/90/68/32/221906832.db2.gz VMKBBFTUDRDJPD-UHFFFAOYSA-N 0 0 390.911 4.553 50 0 GJAARN CN(c1ccccc1)c1ccccc1NC(=O)CCCNC(=O)c1cccs1 ZINC000040114516 221908052 /nfs/dbraw/zinc/90/80/52/221908052.db2.gz BJEHPWWFILLAEI-UHFFFAOYSA-N 0 0 393.512 4.665 50 0 GJAARN O=C(COCC(F)(F)F)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000040132232 221910845 /nfs/dbraw/zinc/91/08/45/221910845.db2.gz ZAWPSOZTADFXAV-UHFFFAOYSA-N 0 0 399.319 4.616 50 0 GJAARN O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000040141083 221911862 /nfs/dbraw/zinc/91/18/62/221911862.db2.gz AUWXDCMKFORHNW-KGLIPLIRSA-N 0 0 382.426 4.666 50 0 GJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(-c2nc(C3CC3)no2)c1 ZINC000040153012 221914380 /nfs/dbraw/zinc/91/43/80/221914380.db2.gz RWMHGMAJDCFJTL-LBPRGKRZSA-N 0 0 383.835 4.673 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)Cc2ccccc2C)c1 ZINC000040155943 221914844 /nfs/dbraw/zinc/91/48/44/221914844.db2.gz NZHJDKBSRAFZRY-INIZCTEOSA-N 0 0 378.472 4.540 50 0 GJAARN Cc1nn2c(nnc3c2ccn(C2CCCCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395985 221921203 /nfs/dbraw/zinc/92/12/03/221921203.db2.gz NYJLIMBQPXTPHB-UHFFFAOYSA-N 0 0 393.878 4.573 50 0 GJAARN CCOc1c(Cl)cc(C(=O)NCCOc2cccc(C)c2C)cc1Cl ZINC000041156578 221940140 /nfs/dbraw/zinc/94/01/40/221940140.db2.gz YDFNCCMMRDUFCQ-UHFFFAOYSA-N 0 0 382.287 4.818 50 0 GJAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(F)cc2)cc1 ZINC000044087101 221951514 /nfs/dbraw/zinc/95/15/14/221951514.db2.gz UTJAJPVAUJEGOI-UHFFFAOYSA-N 0 0 383.492 4.604 50 0 GJAARN COc1ccccc1N(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C ZINC000055744861 222024236 /nfs/dbraw/zinc/02/42/36/222024236.db2.gz QOISJGFXDWLEHM-UHFFFAOYSA-N 0 0 392.503 4.657 50 0 GJAARN COc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)ccc1O ZINC000056719159 222026378 /nfs/dbraw/zinc/02/63/78/222026378.db2.gz MUABVBOEIDLRKO-UHFFFAOYSA-N 0 0 396.418 4.996 50 0 GJAARN COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2ccccc2F)cc1Cl ZINC000046018523 221969330 /nfs/dbraw/zinc/96/93/30/221969330.db2.gz ZEIVJNBYXJCHQQ-MRXNPFEDSA-N 0 0 378.831 4.865 50 0 GJAARN O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccccc1Cc1ccccc1 ZINC000048343837 221988276 /nfs/dbraw/zinc/98/82/76/221988276.db2.gz GNUUNRKMLYEHQP-UHFFFAOYSA-N 0 0 396.494 4.844 50 0 GJAARN Cc1ccc2c(ncc(-c3nc(C4CC4)no3)c2Nc2ccc(F)c(F)c2)n1 ZINC000049420762 221999062 /nfs/dbraw/zinc/99/90/62/221999062.db2.gz IBKRVBNKRATSMV-UHFFFAOYSA-N 0 0 379.370 4.887 50 0 GJAARN Cc1ccccc1COc1ccccc1[C@H]1SCC(=O)Nc2c1cnn2C ZINC000049545783 222000394 /nfs/dbraw/zinc/00/03/94/222000394.db2.gz JWXDLCLKISMRIJ-HXUWFJFHSA-N 0 0 379.485 4.732 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2)ccc1OC(F)F ZINC000049546176 222000399 /nfs/dbraw/zinc/00/03/99/222000399.db2.gz AQFYMZITHCLFLM-HNNXBMFYSA-N 0 0 399.397 4.665 50 0 GJAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)NC3CCCCC3)n2)c1 ZINC000049734278 222000572 /nfs/dbraw/zinc/00/05/72/222000572.db2.gz SXLVSEXKFTYNGP-UHFFFAOYSA-N 0 0 391.471 4.540 50 0 GJAARN COC(=O)CCNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000051330974 222004084 /nfs/dbraw/zinc/00/40/84/222004084.db2.gz RHWNIVWSGQBRNQ-UHFFFAOYSA-N 0 0 376.243 4.579 50 0 GJAARN Cc1nc(SCc2csc(-c3ncccn3)n2)[nH]c1Cc1ccccc1 ZINC000053269126 222009306 /nfs/dbraw/zinc/00/93/06/222009306.db2.gz BMCSNWHXGNQLPI-UHFFFAOYSA-N 0 0 379.514 4.515 50 0 GJAARN O=C(CNc1ccccc1N1CCCCCC1)N1CCC[C@@H]1c1cccs1 ZINC000057722639 222036050 /nfs/dbraw/zinc/03/60/50/222036050.db2.gz OBKSUYTZVDVDLB-HXUWFJFHSA-N 0 0 383.561 4.904 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000064984110 222092615 /nfs/dbraw/zinc/09/26/15/222092615.db2.gz PERSXYBFUQPXOY-IBGZPJMESA-N 0 0 397.899 4.794 50 0 GJAARN Clc1ccc(Cc2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cc1 ZINC000064980060 222092749 /nfs/dbraw/zinc/09/27/49/222092749.db2.gz OTRNSGPKKNQRLL-UHFFFAOYSA-N 0 0 379.851 4.841 50 0 GJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccccc4)cc3)ccc21 ZINC000065026821 222094847 /nfs/dbraw/zinc/09/48/47/222094847.db2.gz KGAVQQYJRKQCKR-UHFFFAOYSA-N 0 0 384.479 4.583 50 0 GJAARN Cc1cc(C)cc(C(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)c1 ZINC000065076760 222097915 /nfs/dbraw/zinc/09/79/15/222097915.db2.gz XSWLZPDTRDMQRI-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)c1cccn1Cc1ccc(F)cc1 ZINC000065084589 222099729 /nfs/dbraw/zinc/09/97/29/222099729.db2.gz AGZLASRWJVECMT-UHFFFAOYSA-N 0 0 390.336 4.516 50 0 GJAARN CCc1ccc(CNC(=O)CSc2nccnc2Oc2ccccc2C)cc1 ZINC000065111225 222100901 /nfs/dbraw/zinc/10/09/01/222100901.db2.gz UGHAIMIMMLEPPE-UHFFFAOYSA-N 0 0 393.512 4.548 50 0 GJAARN O=C(c1ccc(Cl)s1)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135283 222102030 /nfs/dbraw/zinc/10/20/30/222102030.db2.gz GTSDRCVZONFGOR-HNNXBMFYSA-N 0 0 383.904 4.878 50 0 GJAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc1 ZINC000065135522 222102622 /nfs/dbraw/zinc/10/26/22/222102622.db2.gz BAQBKEYVJZOJPZ-IBGZPJMESA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC000065148157 222103153 /nfs/dbraw/zinc/10/31/53/222103153.db2.gz YHVZKNKNXNDELE-QGZVFWFLSA-N 0 0 392.528 4.539 50 0 GJAARN O=C(c1ccccc1Cl)N1CCC[C@@H](c2ccnc(Nc3ccccc3)n2)C1 ZINC000065147902 222103192 /nfs/dbraw/zinc/10/31/92/222103192.db2.gz QLEDJTIECPEUIB-MRXNPFEDSA-N 0 0 392.890 4.893 50 0 GJAARN Cc1cccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4F)n3)C2)c1 ZINC000065148563 222103609 /nfs/dbraw/zinc/10/36/09/222103609.db2.gz ILMXTEBGOCFPHM-GOSISDBHSA-N 0 0 390.462 4.688 50 0 GJAARN Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 ZINC000065148070 222103619 /nfs/dbraw/zinc/10/36/19/222103619.db2.gz HLNOOWADDOSISN-KRWDZBQOSA-N 0 0 392.528 4.539 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000065153646 222104574 /nfs/dbraw/zinc/10/45/74/222104574.db2.gz CHWSVRHYHJIZDJ-UHFFFAOYSA-N 0 0 394.434 4.661 50 0 GJAARN Cc1ccccc1NC(=O)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168877 222104667 /nfs/dbraw/zinc/10/46/67/222104667.db2.gz UBQCWWCANRMYOU-UHFFFAOYSA-N 0 0 378.863 4.696 50 0 GJAARN CCOc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153669 222104828 /nfs/dbraw/zinc/10/48/28/222104828.db2.gz GEHBOIIJNGDOCA-UHFFFAOYSA-N 0 0 396.450 4.857 50 0 GJAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)NCc2ccccc2C)c1 ZINC000065172823 222106485 /nfs/dbraw/zinc/10/64/85/222106485.db2.gz XHOHIDLNKRYIQO-UHFFFAOYSA-N 0 0 384.483 4.747 50 0 GJAARN CCOc1ccccc1Nc1nc(C)c(C(=O)Nc2cccc(OC)c2)s1 ZINC000065184667 222107545 /nfs/dbraw/zinc/10/75/45/222107545.db2.gz ATLDVMOSWLHJOZ-UHFFFAOYSA-N 0 0 383.473 4.855 50 0 GJAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(-c2nc(C(C)C)no2)s1 ZINC000065196037 222108475 /nfs/dbraw/zinc/10/84/75/222108475.db2.gz YAHLCJGECYYGGO-UHFFFAOYSA-N 0 0 391.880 4.514 50 0 GJAARN Cc1cc(-c2nc(-c3ccccc3)no2)c(C)n1CC(=O)Nc1ccc(F)cc1 ZINC000065195012 222109143 /nfs/dbraw/zinc/10/91/43/222109143.db2.gz YUUKDQRFPYPSMU-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN CC(C)Cn1ccc2cc(NC(=O)c3ccc(N4CCCC4=O)cc3)ccc21 ZINC000058139038 222040816 /nfs/dbraw/zinc/04/08/16/222040816.db2.gz YEBAJPXCAWKUHR-UHFFFAOYSA-N 0 0 375.472 4.676 50 0 GJAARN COc1ccc(CCC(=O)Oc2cccc(-c3nc(C)cs3)c2)cc1OC ZINC000058246169 222047496 /nfs/dbraw/zinc/04/74/96/222047496.db2.gz CMROMCBAKMZWTE-UHFFFAOYSA-N 0 0 383.469 4.674 50 0 GJAARN COc1c(C)cnc(CN(C)C(=O)Nc2ccc3c4c(cccc42)CC3)c1C ZINC000058616307 222053488 /nfs/dbraw/zinc/05/34/88/222053488.db2.gz XLBJXQIGHZDIGP-UHFFFAOYSA-N 0 0 375.472 4.623 50 0 GJAARN CCOC(=O)c1cc2cc(NC(=O)N3CCc4ccccc4C3)ccc2s1 ZINC000059041594 222055469 /nfs/dbraw/zinc/05/54/69/222055469.db2.gz RJTFOWDQHMSQCE-UHFFFAOYSA-N 0 0 380.469 4.668 50 0 GJAARN CC(C)Oc1ccccc1COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000060682252 222060173 /nfs/dbraw/zinc/06/01/73/222060173.db2.gz URLAZRAVSSGVOP-UHFFFAOYSA-N 0 0 389.666 4.768 50 0 GJAARN CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCc1ccccc1)CC(=O)N2 ZINC000061719106 222060870 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/nfs/dbraw/zinc/36/56/46/222365646.db2.gz AUWFPVSJXOSDOA-DOTOQJQBSA-N 0 0 384.382 4.537 50 0 GJAARN O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000095959310 222365775 /nfs/dbraw/zinc/36/57/75/222365775.db2.gz ICDMIUVQLOZDFF-UHFFFAOYSA-N 0 0 395.484 4.640 50 0 GJAARN O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)C1CCC(F)(F)CC1 ZINC000095976061 222366730 /nfs/dbraw/zinc/36/67/30/222366730.db2.gz UAJFCWXFZJJWFZ-UHFFFAOYSA-N 0 0 393.821 4.751 50 0 GJAARN Cc1sc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)nc1-c1ccc(F)cc1 ZINC000095970865 222367123 /nfs/dbraw/zinc/36/71/23/222367123.db2.gz HSOCTCUDFQTSKP-UHFFFAOYSA-N 0 0 399.422 4.534 50 0 GJAARN O=C(c1ccc(Cl)s1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096594 222378894 /nfs/dbraw/zinc/37/88/94/222378894.db2.gz QFHFVSQBMSTRMJ-UHFFFAOYSA-N 0 0 379.894 4.533 50 0 GJAARN CCc1noc(-c2cccc(NC(=O)N3CCCC[C@@H]3c3nccs3)c2)n1 ZINC000096136618 222386236 /nfs/dbraw/zinc/38/62/36/222386236.db2.gz OPHPEVPCLUAKMQ-OAHLLOKOSA-N 0 0 383.477 4.515 50 0 GJAARN CN(CCC[C@H]1CCCO1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000096137611 222386393 /nfs/dbraw/zinc/38/63/93/222386393.db2.gz UZVQGIXEGXFOET-SFHVURJKSA-N 0 0 379.460 4.918 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)N(Cc3ccsc3)C3CCCC3)c2)n[nH]1 ZINC000096149653 222390106 /nfs/dbraw/zinc/39/01/06/222390106.db2.gz WQRVHYGVWSNAQF-UHFFFAOYSA-N 0 0 381.505 4.818 50 0 GJAARN Cc1cc(C)n(C[C@H](C)NC(=O)Nc2ccc(SCc3ccco3)cc2)n1 ZINC000096154099 222391940 /nfs/dbraw/zinc/39/19/40/222391940.db2.gz JZBWBPDAXRCEQL-HNNXBMFYSA-N 0 0 384.505 4.595 50 0 GJAARN CSCC[C@H](NC(=O)c1ccc2nc(C)sc2c1)c1nc2ccccc2[nH]1 ZINC000096223489 222399861 /nfs/dbraw/zinc/39/98/61/222399861.db2.gz REDPMVREHAMLJW-KRWDZBQOSA-N 0 0 396.541 4.705 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1)c1ccco1 ZINC000096276231 222407377 /nfs/dbraw/zinc/40/73/77/222407377.db2.gz CQDZAUBPVVKJJB-QGZVFWFLSA-N 0 0 393.830 4.697 50 0 GJAARN O=C(C1CCC1)N(CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000096293208 222410745 /nfs/dbraw/zinc/41/07/45/222410745.db2.gz YRZCYRNRVDLQCJ-UHFFFAOYSA-N 0 0 387.911 4.894 50 0 GJAARN CCOc1ccccc1C(=O)N1CCC(c2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000096372501 222415083 /nfs/dbraw/zinc/41/50/83/222415083.db2.gz RGHSURJUSHYXER-UHFFFAOYSA-N 0 0 389.499 4.599 50 0 GJAARN CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C)c(NC(=O)C2CCCC2)c1 ZINC000097307405 222442944 /nfs/dbraw/zinc/44/29/44/222442944.db2.gz RWKWKUHMTVMFAC-IBGZPJMESA-N 0 0 387.524 4.547 50 0 GJAARN COC(=O)c1cc(NC(=O)c2oc3c(cccc3Cl)c2C)c(F)cc1F ZINC000122866514 533890152 /nfs/dbraw/zinc/89/01/52/533890152.db2.gz PNWMMPJEHYXGQV-UHFFFAOYSA-N 0 0 379.746 4.712 50 0 GJAARN COc1ccccc1COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000095349977 534093442 /nfs/dbraw/zinc/09/34/42/534093442.db2.gz MZZUGARFBMVPCS-UHFFFAOYSA-N 0 0 376.456 4.642 50 0 GJAARN COc1cccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)c1 ZINC000004715792 518167035 /nfs/dbraw/zinc/16/70/35/518167035.db2.gz BHLDUPXQVPUYBV-WMZHIEFXSA-N 0 0 390.439 4.848 50 0 GJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC(C1CC1)C1CC1 ZINC000022385515 518192197 /nfs/dbraw/zinc/19/21/97/518192197.db2.gz NPNLWURWMOMYBB-UHFFFAOYSA-N 0 0 385.305 4.738 50 0 GJAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=S)NCc1ccccc1 ZINC000008274453 518193771 /nfs/dbraw/zinc/19/37/71/518193771.db2.gz ZBUCPBJBNKNQJH-UHFFFAOYSA-N 0 0 384.936 4.688 50 0 GJAARN COc1ccc(-c2nc3c(s2)CN(C(=O)CCCc2ccccc2)CC3)cc1 ZINC000005427241 523227753 /nfs/dbraw/zinc/22/77/53/523227753.db2.gz DREOAZLXDPSLAU-UHFFFAOYSA-N 0 0 392.524 4.726 50 0 GJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3cc(C)ccc3C)o2)cc1OC ZINC000008231604 523265403 /nfs/dbraw/zinc/26/54/03/523265403.db2.gz FDDCADHCCVAIHK-AWEZNQCLSA-N 0 0 398.484 4.734 50 0 GJAARN C[C@H](CNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000241231136 524450166 /nfs/dbraw/zinc/45/01/66/524450166.db2.gz KSJHQVXTFYGNND-NZSAHSFTSA-N 0 0 378.541 5.490 50 0 GJAARN Cc1ncsc1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000006527619 534787349 /nfs/dbraw/zinc/78/73/49/534787349.db2.gz OIZJCHPDEZKCGO-INIZCTEOSA-N 0 0 385.876 4.618 50 0 GJAARN O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1 ZINC000003448147 526503743 /nfs/dbraw/zinc/50/37/43/526503743.db2.gz AMFSMQKIUYGSEW-UHFFFAOYSA-N 0 0 392.886 4.689 50 0 GJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccco1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409413754 526525531 /nfs/dbraw/zinc/52/55/31/526525531.db2.gz HEPAUMLGVUSALM-HXUWFJFHSA-N 0 0 375.428 4.665 50 0 GJAARN Cc1nc2ccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3C)cc2s1 ZINC000008185693 527147533 /nfs/dbraw/zinc/14/75/33/527147533.db2.gz DRNUAIBTXDCZMA-UHFFFAOYSA-N 0 0 376.485 4.719 50 0 GJAARN CC(=O)c1ccc(F)cc1-c1ccc(C(=O)NCCCOC2CCCC2)cc1 ZINC000426523523 527284779 /nfs/dbraw/zinc/28/47/79/527284779.db2.gz ORDMCVFMONRXLU-UHFFFAOYSA-N 0 0 383.463 4.774 50 0 GJAARN CCOC(=O)c1cc2cc(-c3coc4cc(OCC)ccc4c3=O)ccc2o1 ZINC000002087157 528192455 /nfs/dbraw/zinc/19/24/55/528192455.db2.gz HHDQNKZOROQVMC-UHFFFAOYSA-N 0 0 378.380 4.782 50 0 biogenic GJAARN CCC(C)(C)NC(=O)c1ccc(-c2cnc(Oc3ccc(OC)cc3)nc2)cc1 ZINC000065057684 528560615 /nfs/dbraw/zinc/56/06/15/528560615.db2.gz ICIBHRBAXLMCDZ-UHFFFAOYSA-N 0 0 391.471 4.863 50 0 GJAARN CC1(C)CN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@]1(C)O ZINC000091770420 529100558 /nfs/dbraw/zinc/10/05/58/529100558.db2.gz FOKZZPCMPDBMIU-QFIPXVFZSA-N 0 0 382.891 4.721 50 0 GJAARN CCOC(=O)N1CCC(Nc2nc(-c3oc4ccccc4c3C)cs2)CC1 ZINC000071971742 570211889 /nfs/dbraw/zinc/21/18/89/570211889.db2.gz SHHCBVJEJYBYDK-UHFFFAOYSA-N 0 0 385.489 4.898 50 0 GJAARN Cc1ccc(Cn2c3ccccc3n(CC(=O)c3ccc(Cl)cc3)c2=N)cc1 ZINC000019733138 570211900 /nfs/dbraw/zinc/21/19/00/570211900.db2.gz BGMSKSAUKGQNRB-UHFFFAOYSA-N 0 0 389.886 4.815 50 0 GJAARN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000000681074 570216703 /nfs/dbraw/zinc/21/67/03/570216703.db2.gz FGXMFODMIMZXND-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN Cc1sc(NC(=O)c2ccc([S@@](C)=O)cc2)nc1-c1ccc(Cl)cc1 ZINC000047983122 570217401 /nfs/dbraw/zinc/21/74/01/570217401.db2.gz CURIWIZHVOYQTJ-VWLOTQADSA-N 0 0 390.917 4.762 50 0 GJAARN Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3C)c2)c1 ZINC000000683230 570217472 /nfs/dbraw/zinc/21/74/72/570217472.db2.gz LQBPEGWXWZMFQR-UHFFFAOYSA-N 0 0 379.847 4.856 50 0 GJAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC(n2ccnc2)CC1 ZINC000111739173 570220268 /nfs/dbraw/zinc/22/02/68/570220268.db2.gz QOFKQWUYQTXYIZ-UHFFFAOYSA-N 0 0 397.866 4.593 50 0 GJAARN Fc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Cl)cc5)nn43)[nH]n2)cc1 ZINC000019827272 570223326 /nfs/dbraw/zinc/22/33/26/570223326.db2.gz FKXIVYGOXSBQPV-UHFFFAOYSA-N 0 0 396.838 4.702 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCCCC2 ZINC000006047441 570223787 /nfs/dbraw/zinc/22/37/87/570223787.db2.gz IGQYBUSGIJSCBB-UHFFFAOYSA-N 0 0 387.501 4.845 50 0 GJAARN COc1cc2cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)[nH]c2c(OC)c1 ZINC000048264083 570225312 /nfs/dbraw/zinc/22/53/12/570225312.db2.gz SWGPRANVKZRCBH-ZDUSSCGKSA-N 0 0 378.428 4.765 50 0 GJAARN CCOC(=O)Oc1cc(OC(=O)OCC)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001448137 570225388 /nfs/dbraw/zinc/22/53/88/570225388.db2.gz DGSVCZPYLOTLCB-UHFFFAOYSA-N 0 0 398.367 4.531 50 0 biogenic GJAARN CC(C)N(C)c1nc(-c2ccc(F)cc2)ncc1C(=O)N(C)C1CCCCC1 ZINC000096290056 570227914 /nfs/dbraw/zinc/22/79/14/570227914.db2.gz JKWCOVJWYPSLCF-UHFFFAOYSA-N 0 0 384.499 4.532 50 0 GJAARN O=C(O/C(c1ccccc1)=C1/CCCC[C@H]1N1CCOCC1)c1ccccc1 ZINC000019897752 570228237 /nfs/dbraw/zinc/22/82/37/570228237.db2.gz FTUJSFRVSGWROP-RKKARLDVSA-N 0 0 377.484 4.530 50 0 GJAARN CSc1nc(-c2cccs2)nc(C)c1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012814103 570229304 /nfs/dbraw/zinc/22/93/04/570229304.db2.gz NJDXJCUNSBLWEY-NSHDSACASA-N 0 0 387.505 4.866 50 0 GJAARN Cc1cc(C)cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019920494 570229546 /nfs/dbraw/zinc/22/95/46/570229546.db2.gz OUGJLTLLSHIGLJ-UHFFFAOYSA-N 0 0 384.523 4.851 50 0 GJAARN O=C(NCc1ccc(F)cc1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000019926627 570230053 /nfs/dbraw/zinc/23/00/53/570230053.db2.gz XWOYUMRZBZZJHO-FQEVSTJZSA-N 0 0 391.471 4.852 50 0 GJAARN CCn1c(Sc2ncnc3sc(C)c(C)c32)nnc1-c1ccccc1OC ZINC000048286600 570231628 /nfs/dbraw/zinc/23/16/28/570231628.db2.gz LNJHCEBCRPWHOA-UHFFFAOYSA-N 0 0 397.529 4.746 50 0 GJAARN Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 ZINC000004816519 570232827 /nfs/dbraw/zinc/23/28/27/570232827.db2.gz PLRMZPUORWIHTI-GOTSBHOMSA-N 0 0 394.478 4.968 50 0 GJAARN C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 ZINC000012820137 570233280 /nfs/dbraw/zinc/23/32/80/570233280.db2.gz STEPRARXALCIHD-MRXNPFEDSA-N 0 0 389.499 4.523 50 0 GJAARN CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816545 570233376 /nfs/dbraw/zinc/23/33/76/570233376.db2.gz ZRZDPLORGRRJMZ-MOPGFXCFSA-N 0 0 380.879 4.717 50 0 GJAARN Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816595 570233672 /nfs/dbraw/zinc/23/36/72/570233672.db2.gz UJKPDXJMGINFQU-SFTDATJTSA-N 0 0 392.478 4.839 50 0 GJAARN Cc1sc2nc(SCC(=O)C(C)(C)C)n(-c3ccccc3)c(=O)c2c1C ZINC000006078611 570235370 /nfs/dbraw/zinc/23/53/70/570235370.db2.gz PZGRBVIUGDSIKT-UHFFFAOYSA-N 0 0 386.542 4.771 50 0 GJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000023309802 570237012 /nfs/dbraw/zinc/23/70/12/570237012.db2.gz XJGPXXBRHYJUOJ-XMMPIXPASA-N 0 0 388.486 4.682 50 0 GJAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C/c1ccccc1OC(F)F ZINC000048356247 570242610 /nfs/dbraw/zinc/24/26/10/570242610.db2.gz SESVYHDSJHWZHW-JXMROGBWSA-N 0 0 397.381 4.831 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc2n1CCCCC2 ZINC000006097443 570242819 /nfs/dbraw/zinc/24/28/19/570242819.db2.gz DXOLMWJCCPGUDB-UHFFFAOYSA-N 0 0 386.565 4.982 50 0 GJAARN C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000026040129 570245649 /nfs/dbraw/zinc/24/56/49/570245649.db2.gz GXAJHHJLVFPCCP-GFCCVEGCSA-N 0 0 396.493 4.505 50 0 GJAARN Cc1cccc(-n2cc(CN(C)Cc3ccno3)c(-c3cccc(F)c3)n2)c1 ZINC000020201326 570247360 /nfs/dbraw/zinc/24/73/60/570247360.db2.gz OSIHMIMUZQQURG-UHFFFAOYSA-N 0 0 376.435 4.607 50 0 GJAARN O=C(CCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)c1cccs1 ZINC000048374369 570247614 /nfs/dbraw/zinc/24/76/14/570247614.db2.gz ORTVQPNGIXLVKB-OAHLLOKOSA-N 0 0 392.318 4.837 50 0 GJAARN CCOC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccc(C(C)C)cc1)c2=O ZINC000001155509 570249916 /nfs/dbraw/zinc/24/99/16/570249916.db2.gz MUHKAMSHBVPWAH-UHFFFAOYSA-N 0 0 396.439 4.959 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl ZINC000001155894 570249944 /nfs/dbraw/zinc/24/99/44/570249944.db2.gz MASJMDDFIVLWTQ-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN CCOC(=O)c1ccc2nc(C(F)(F)F)cc(N3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000020443957 570256114 /nfs/dbraw/zinc/25/61/14/570256114.db2.gz WSEPIXNDXURIQW-STQMWFEESA-N 0 0 380.410 4.913 50 0 GJAARN Cc1ccc(-c2ccnc3c(C(=O)NCc4ccc(Cl)cc4)cnn32)cc1C ZINC000048989019 570256702 /nfs/dbraw/zinc/25/67/02/570256702.db2.gz ZPGKQUKHKHZHCF-UHFFFAOYSA-N 0 0 390.874 4.597 50 0 GJAARN COc1ccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc32)cc1 ZINC000049005382 570257205 /nfs/dbraw/zinc/25/72/05/570257205.db2.gz SVSXQXZYAJGCQB-OAHLLOKOSA-N 0 0 390.487 4.563 50 0 GJAARN COc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)cc1 ZINC000049005244 570257227 /nfs/dbraw/zinc/25/72/27/570257227.db2.gz NNUSGXYKRKKYJP-MRXNPFEDSA-N 0 0 390.487 4.705 50 0 GJAARN COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004733 570262096 /nfs/dbraw/zinc/26/20/96/570262096.db2.gz SGCAQPIZCXQGEO-UHFFFAOYSA-N 0 0 390.487 4.707 50 0 GJAARN CCc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3o2)cc1 ZINC000098086918 570263156 /nfs/dbraw/zinc/26/31/56/570263156.db2.gz QHPRDJQJMYCGJY-UHFFFAOYSA-N 0 0 378.453 4.858 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C[C@@H](C)c1ccccc1)CO2 ZINC000020502149 570264647 /nfs/dbraw/zinc/26/46/47/570264647.db2.gz GIOFOOIUXPGYSL-OAHLLOKOSA-N 0 0 375.468 4.546 50 0 GJAARN COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(SC)cc2)cc1Cl ZINC000085988228 570264864 /nfs/dbraw/zinc/26/48/64/570264864.db2.gz NJDWFDNZWJRSDX-PKOBYXMFSA-N 0 0 388.920 4.580 50 0 GJAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H](Sc2nc3ccccc3s2)C1=O ZINC000100112792 570266287 /nfs/dbraw/zinc/26/62/87/570266287.db2.gz YFECCSZCAFMGJW-OAHLLOKOSA-N 0 0 388.901 4.682 50 0 GJAARN O=C(COc1cccc2cccnc21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006127954 570267754 /nfs/dbraw/zinc/26/77/54/570267754.db2.gz CVYRZHSPDWYTRX-UHFFFAOYSA-N 0 0 380.753 4.925 50 0 GJAARN C[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000006128206 570268254 /nfs/dbraw/zinc/26/82/54/570268254.db2.gz HLJYOBVBFNEWPL-SBNSQYLKSA-N 0 0 388.511 4.521 50 0 GJAARN Cc1ccccc1-c1noc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 ZINC000006128530 570268489 /nfs/dbraw/zinc/26/84/89/570268489.db2.gz DYIYSBFBSRTSRA-UHFFFAOYSA-N 0 0 389.484 4.795 50 0 GJAARN C[S@](=O)(=NC(=O)c1cccnc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000100218550 570269181 /nfs/dbraw/zinc/26/91/81/570269181.db2.gz ISJMWXVLCLFEHG-AREMUKBSSA-N 0 0 386.860 4.824 50 0 GJAARN COc1cccc(C(=O)[C@H]2CCCN(Cc3nc(-c4ccccc4)cs3)C2)c1 ZINC000020601044 570270011 /nfs/dbraw/zinc/27/00/11/570270011.db2.gz JCQYJVFHGAYNMY-IBGZPJMESA-N 0 0 392.524 4.914 50 0 GJAARN CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c(C)n1 ZINC000020603513 570270600 /nfs/dbraw/zinc/27/06/00/570270600.db2.gz JVWHXCCBYAHNRR-UHFFFAOYSA-N 0 0 385.393 4.997 50 0 GJAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1(c2ccccc2)CC1 ZINC000049580942 570271149 /nfs/dbraw/zinc/27/11/49/570271149.db2.gz DVZNRQVOOVCHHY-JOCHJYFZSA-N 0 0 381.479 4.695 50 0 GJAARN C[C@@H]1CCC2=C(C3(CC2)SCCS3)[C@@]1(C)[C@@H](O)CCC1OCCCO1 ZINC000071786195 570272124 /nfs/dbraw/zinc/27/21/24/570272124.db2.gz OMMSCPDCVWIERB-SIXWZSSISA-N 0 0 384.607 4.593 50 0 GJAARN COC(=O)[C@@]1(Cc2ccccc2)[C@@H]2[C@@H]3CCC4=C5[C@@H]6CC[C@@H]7[C@@H]6[C@@H]6[C@@H]5[C@H]([C@@H]43)[C@@H]2[C@H]6[C@H]71 ZINC000257358267 570273563 /nfs/dbraw/zinc/27/35/63/570273563.db2.gz SMXBRNWVWVAOTE-XBXZVCHLSA-N 0 0 398.546 4.749 50 0 GJAARN CC(C)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 ZINC000006141235 570276381 /nfs/dbraw/zinc/27/63/81/570276381.db2.gz MTVUMXOZXLOHOZ-UHFFFAOYSA-N 0 0 393.306 4.548 50 0 GJAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc2ccccc2c1 ZINC000006559986 570277202 /nfs/dbraw/zinc/27/72/02/570277202.db2.gz RICXVZNJDGVQQW-UHFFFAOYSA-N 0 0 380.469 4.538 50 0 GJAARN COc1cc(OC)c(NC(=O)OCCOc2cc(C)c(C)c(C)c2)cc1Cl ZINC000002173808 570277335 /nfs/dbraw/zinc/27/73/35/570277335.db2.gz JAEPCRPZSVKVRR-UHFFFAOYSA-N 0 0 393.867 4.910 50 0 GJAARN Nn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1ccccc1Cl ZINC000002181055 570277556 /nfs/dbraw/zinc/27/75/56/570277556.db2.gz RXBQJIIZXGBUHP-UHFFFAOYSA-N 0 0 399.928 4.785 50 0 GJAARN CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(OC)cc3)s2)c1 ZINC000002213468 570279047 /nfs/dbraw/zinc/27/90/47/570279047.db2.gz XGZNYOWDORCQHD-UHFFFAOYSA-N 0 0 384.461 4.647 50 0 GJAARN O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccccc1Br ZINC000020745030 570279073 /nfs/dbraw/zinc/27/90/73/570279073.db2.gz BTXGYHSIIIACSZ-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 ZINC000002218704 570279473 /nfs/dbraw/zinc/27/94/73/570279473.db2.gz PYOKVKXNEDBWRF-UHFFFAOYSA-N 0 0 377.425 4.523 50 0 GJAARN 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382.514 4.876 50 0 GJAARN CC(C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000002429126 570286558 /nfs/dbraw/zinc/28/65/58/570286558.db2.gz ZUKUXHVDAOXWFK-UHFFFAOYSA-N 0 0 383.473 4.503 50 0 GJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(Cc1ccco1)C3=O ZINC000002440094 570287053 /nfs/dbraw/zinc/28/70/53/570287053.db2.gz DUXITLWMNVUUFO-FQEVSTJZSA-N 0 0 389.382 4.579 50 0 GJAARN COc1ccc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)cc1OC ZINC000002458856 570287455 /nfs/dbraw/zinc/28/74/55/570287455.db2.gz JFKNWMPNNUIAFZ-UHFFFAOYSA-N 0 0 395.406 4.853 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1F)c1cccc(F)c1 ZINC000021037886 570287509 /nfs/dbraw/zinc/28/75/09/570287509.db2.gz CLFJOWZEBWQCIE-LJQANCHMSA-N 0 0 391.377 4.534 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000021037829 570287606 /nfs/dbraw/zinc/28/76/06/570287606.db2.gz DHIYLPSYPKPDSD-HXUWFJFHSA-N 0 0 387.414 4.704 50 0 GJAARN CCOc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccco2)cc1 ZINC000002450351 570287629 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COc1ccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012917484 570293697 /nfs/dbraw/zinc/29/36/97/570293697.db2.gz GSBSYSLNIAUAGS-MRXNPFEDSA-N 0 0 386.300 4.528 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1occc1COc1ccccc1 ZINC000010777012 570293747 /nfs/dbraw/zinc/29/37/47/570293747.db2.gz OMXPZYPMXRZUPB-UHFFFAOYSA-N 0 0 387.439 4.913 50 0 GJAARN Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)n1C1CC1 ZINC000014185222 570295035 /nfs/dbraw/zinc/29/50/35/570295035.db2.gz POBPDOCJHGUWGH-UHFFFAOYSA-N 0 0 389.503 4.677 50 0 GJAARN CC(C)n1c(SCc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723331 570295283 /nfs/dbraw/zinc/29/52/83/570295283.db2.gz FZLHNLXIVRZRSY-UHFFFAOYSA-N 0 0 381.501 4.980 50 0 GJAARN CCCOc1cccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)c1 ZINC000021785873 570295837 /nfs/dbraw/zinc/29/58/37/570295837.db2.gz WOJUAXXVLZHPLF-UHFFFAOYSA-N 0 0 382.485 4.538 50 0 GJAARN C[C@@H](NC(=O)c1ccccc1I)c1cc2ccccc2o1 ZINC000012924923 570295960 /nfs/dbraw/zinc/29/59/60/570295960.db2.gz BMZRLITWRKGAOG-LLVKDONJSA-N 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/nfs/dbraw/zinc/29/83/86/570298386.db2.gz SOKPUGSBFXUGNO-UHFFFAOYSA-N 0 0 389.776 4.687 50 0 GJAARN O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1ccc(Cl)cc1Cl ZINC000002755861 570298876 /nfs/dbraw/zinc/29/88/76/570298876.db2.gz UMORCVHJKYAGEC-UHFFFAOYSA-N 0 0 390.160 4.546 50 0 GJAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000034680061 570299110 /nfs/dbraw/zinc/29/91/10/570299110.db2.gz VZCBNYXPLLSXAB-UHFFFAOYSA-N 0 0 390.483 4.504 50 0 GJAARN CCCC(CCC)C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 ZINC000005240113 570299220 /nfs/dbraw/zinc/29/92/20/570299220.db2.gz YYBCQKRINAPNAD-UHFFFAOYSA-N 0 0 377.488 4.849 50 0 GJAARN O=C(NC1CC1)c1csc(-c2cccc(OCc3cc(F)ccc3F)c2)n1 ZINC000034713005 570303706 /nfs/dbraw/zinc/30/37/06/570303706.db2.gz WYOSOJZVIHJFSJ-UHFFFAOYSA-N 0 0 386.423 4.560 50 0 GJAARN CCC(=O)Oc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000002807383 570303769 /nfs/dbraw/zinc/30/37/69/570303769.db2.gz VUSURAMGBDSARJ-XMHGGMMESA-N 0 0 377.440 4.644 50 0 GJAARN COc1cc(NCc2ccc(OCc3ccccc3)c(OC)c2)cc(OC)c1 ZINC000023283131 570303981 /nfs/dbraw/zinc/30/39/81/570303981.db2.gz BBASAOBFRUBMIN-UHFFFAOYSA-N 0 0 379.456 4.904 50 0 GJAARN O=P1([C@H](Nc2ccc(O)cc2)c2ccc(Br)cc2)OCCCO1 ZINC000002810170 570304113 /nfs/dbraw/zinc/30/41/13/570304113.db2.gz NNCJCLOFCUEUJV-INIZCTEOSA-N 0 0 398.193 4.895 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000007000654 570305554 /nfs/dbraw/zinc/30/55/54/570305554.db2.gz KQTRGRKCZDYEMP-UHFFFAOYSA-N 0 0 399.878 4.964 50 0 GJAARN O=C(c1ccccc1Cl)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035289797 570306256 /nfs/dbraw/zinc/30/62/56/570306256.db2.gz DHPWRBOYTXVCDF-UHFFFAOYSA-N 0 0 385.826 4.549 50 0 GJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2Cl)cc1 ZINC000002845157 570307610 /nfs/dbraw/zinc/30/76/10/570307610.db2.gz FJUYHJCGXWVBCD-UHFFFAOYSA-N 0 0 395.842 4.958 50 0 GJAARN COc1ccc(OC)c(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000002851437 570308645 /nfs/dbraw/zinc/30/86/45/570308645.db2.gz UGFOETWUSAPKCM-UHFFFAOYSA-N 0 0 388.823 4.768 50 0 GJAARN CCc1cc(C(=O)OC)c(NC(=S)N[C@@H](C)c2cc(C)ccc2C)s1 ZINC000002858363 570310403 /nfs/dbraw/zinc/31/04/03/570310403.db2.gz LTEFYOIMTMLUNN-ZDUSSCGKSA-N 0 0 376.547 4.762 50 0 GJAARN CCC(NCc1ccccc1Cl)=C1N=C(c2ccc(Cl)cc2)OC1=O ZINC000100158055 570311179 /nfs/dbraw/zinc/31/11/79/570311179.db2.gz KYDAOYRLSYXCKC-WUKNDPDISA-N 0 0 375.255 4.708 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1)c1cccs1 ZINC000024837075 570311233 /nfs/dbraw/zinc/31/12/33/570311233.db2.gz BTUFOPZUVCZKJY-UHFFFAOYSA-N 0 0 388.492 4.930 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)c3c(C)noc3n2)s1 ZINC000022311220 570312613 /nfs/dbraw/zinc/31/26/13/570312613.db2.gz MDDOOFONFCQEOJ-UHFFFAOYSA-N 0 0 399.501 4.795 50 0 GJAARN O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000024839659 570312905 /nfs/dbraw/zinc/31/29/05/570312905.db2.gz HJGFGHHAMPXRDM-UHFFFAOYSA-N 0 0 375.424 4.532 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000014567015 570313386 /nfs/dbraw/zinc/31/33/86/570313386.db2.gz RVRJQYDLKOXFTK-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN O=S(=O)(c1cccs1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 ZINC000575443142 570313802 /nfs/dbraw/zinc/31/38/02/570313802.db2.gz PLIBTBHAHNYJQU-UHFFFAOYSA-N 0 0 396.497 4.669 50 0 GJAARN COc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1NC(=O)C(C)C ZINC000002873764 570314100 /nfs/dbraw/zinc/31/41/00/570314100.db2.gz CYGRKVGVIIVBQE-UHFFFAOYSA-N 0 0 384.476 4.577 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 ZINC000002873180 570314191 /nfs/dbraw/zinc/31/41/91/570314191.db2.gz PCLLZLZUMICMGN-UHFFFAOYSA-N 0 0 387.439 4.808 50 0 GJAARN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cc2ccccc2oc1=O ZINC000002879581 570315655 /nfs/dbraw/zinc/31/56/55/570315655.db2.gz SMXYJLDAXYUXPW-UHFFFAOYSA-N 0 0 393.402 4.656 50 0 GJAARN COc1cc(OC)cc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)c1 ZINC000023330660 570316174 /nfs/dbraw/zinc/31/61/74/570316174.db2.gz CDUJHWIJXASZEA-XMMPIXPASA-N 0 0 387.479 4.800 50 0 GJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002886819 570316761 /nfs/dbraw/zinc/31/67/61/570316761.db2.gz QKTVILYRHZYFMF-HOTGVXAUSA-N 0 0 384.907 4.924 50 0 GJAARN O=C(CSc1ccc(Cl)cc1)NCCSc1nc2ccccc2s1 ZINC000002898602 570317268 /nfs/dbraw/zinc/31/72/68/570317268.db2.gz USLQMTNAWXDRGM-UHFFFAOYSA-N 0 0 394.974 4.950 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)n1)Nc1ccccc1-2 ZINC000002918966 570318510 /nfs/dbraw/zinc/31/85/10/570318510.db2.gz MHYRXDRRVNZTJZ-SFHVURJKSA-N 0 0 379.489 4.637 50 0 GJAARN COc1cccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@@H]4C)c1 ZINC000575473066 570319941 /nfs/dbraw/zinc/31/99/41/570319941.db2.gz CCIACLPIRNOEKC-AWEZNQCLSA-N 0 0 391.467 4.755 50 0 GJAARN Nc1c2ncn(-c3ccccc3)c2nc2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 ZINC000575473052 570320052 /nfs/dbraw/zinc/32/00/52/570320052.db2.gz AKKACAXOBDZGHJ-AWEZNQCLSA-N 0 0 388.858 4.569 50 0 GJAARN COc1ccc2c(c1)c(C(=O)NCc1ccccc1)c(C)n2Cc1ccccc1 ZINC000000762816 570320346 /nfs/dbraw/zinc/32/03/46/570320346.db2.gz WDDDZAPLUAIRJS-UHFFFAOYSA-N 0 0 384.479 4.937 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccn4)n3)n2)s1 ZINC000014635340 570320471 /nfs/dbraw/zinc/32/04/71/570320471.db2.gz QXOBUSHTEGNNPK-UHFFFAOYSA-N 0 0 398.538 4.880 50 0 GJAARN O=C(/C=C/c1cccs1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000006589958 570321303 /nfs/dbraw/zinc/32/13/03/570321303.db2.gz LZEHYJNTLXLTKU-MDZDMXLPSA-N 0 0 385.876 4.656 50 0 GJAARN O=C(Cc1ccccc1)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC000002977905 570321611 /nfs/dbraw/zinc/32/16/11/570321611.db2.gz AZHCLXPEJGYIFZ-UHFFFAOYSA-N 0 0 378.859 4.702 50 0 GJAARN COc1cc(C=O)ccc1OCCCOc1c(C)cc(Br)cc1C ZINC000002983594 570322739 /nfs/dbraw/zinc/32/27/39/570322739.db2.gz MSVSODYDSYZMQO-UHFFFAOYSA-N 0 0 393.277 4.735 50 0 GJAARN O=C([O-])[C@@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000020717983 570324492 /nfs/dbraw/zinc/32/44/92/570324492.db2.gz LPTCXUNKCOMXID-JLTOFOAXSA-N 0 0 391.496 4.783 50 0 GJAARN O=C(Nc1cccc(Cl)c1)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000002999112 570325122 /nfs/dbraw/zinc/32/51/22/570325122.db2.gz IKRXYMORYZTTCL-UHFFFAOYSA-N 0 0 399.800 4.839 50 0 GJAARN CCOc1cc(/C=C/C(=O)Nc2ccc(Br)cc2)ccc1OC ZINC000007609504 570326755 /nfs/dbraw/zinc/32/67/55/570326755.db2.gz ZJGBWBVCIQJBCI-VZUCSPMQSA-N 0 0 376.250 4.508 50 0 GJAARN CC(C)c1ccc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000026436551 570327093 /nfs/dbraw/zinc/32/70/93/570327093.db2.gz XVCVPFWOZKXVIB-LJQANCHMSA-N 0 0 396.468 4.681 50 0 GJAARN Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N2CCC(C)CC2)cc1 ZINC000003055549 570327287 /nfs/dbraw/zinc/32/72/87/570327287.db2.gz BOSXHNXWTFLXBP-RCCKNPSSSA-N 0 0 396.918 4.678 50 0 GJAARN Clc1ccc(C2OCC3(CO2)COC(c2ccc(Cl)cc2)OC3)cc1 ZINC000004843910 570327421 /nfs/dbraw/zinc/32/74/21/570327421.db2.gz ZAEVKLCAOLFYDP-UHFFFAOYSA-N 0 0 381.255 4.771 50 0 GJAARN COc1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1NC(C)=O ZINC000050027781 570328521 /nfs/dbraw/zinc/32/85/21/570328521.db2.gz VMQLEFWTAHYKMC-UHFFFAOYSA-N 0 0 389.864 4.616 50 0 GJAARN Cc1cc(C)c(CN2CCCN(c3ccc(NC(=O)C4CC4)cc3)C2=O)c(C)c1 ZINC000034736803 570328655 /nfs/dbraw/zinc/32/86/55/570328655.db2.gz AUWIARBAHPVELH-UHFFFAOYSA-N 0 0 391.515 4.793 50 0 GJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1N(C)C(=O)C1CC1 ZINC000120123888 570328936 /nfs/dbraw/zinc/32/89/36/570328936.db2.gz YPPKWCIARKEMHX-UHFFFAOYSA-N 0 0 391.298 4.638 50 0 GJAARN COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1Br ZINC000023764838 570332849 /nfs/dbraw/zinc/33/28/49/570332849.db2.gz TVXRSHOEZBKFEA-JTQLQIEISA-N 0 0 384.220 4.569 50 0 GJAARN COC(=O)c1cc(NC(=O)c2cc(C(C)C)nc3ccccc32)c(F)cc1F ZINC000022889862 570332882 /nfs/dbraw/zinc/33/28/82/570332882.db2.gz LOCMCSMIAREVRZ-UHFFFAOYSA-N 0 0 384.382 4.675 50 0 GJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1N1CCCC1 ZINC000023866661 570333640 /nfs/dbraw/zinc/33/36/40/570333640.db2.gz BRVYGVRPRUEZMA-UHFFFAOYSA-N 0 0 385.511 4.634 50 0 GJAARN CC(C)(C)c1cc2nc(C(=O)NC3CCCCC3)cc(-c3ccccc3F)n2n1 ZINC000034832379 570335443 /nfs/dbraw/zinc/33/54/43/570335443.db2.gz IFLVJABTFHRFTO-UHFFFAOYSA-N 0 0 394.494 4.895 50 0 GJAARN COc1ccc(CC(=O)Nc2c(-c3ccc(C)cc3C)n[nH]c2C2CC2)cc1 ZINC000034794844 570337086 /nfs/dbraw/zinc/33/70/86/570337086.db2.gz CABJOJOQTWJCPX-UHFFFAOYSA-N 0 0 375.472 4.761 50 0 GJAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccc(F)cc1F ZINC000034795255 570337437 /nfs/dbraw/zinc/33/74/37/570337437.db2.gz WWORMDGJKHGERB-UHFFFAOYSA-N 0 0 399.441 4.687 50 0 GJAARN O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1C1CC1)Nc1ccc(F)cc1F ZINC000034796606 570338299 /nfs/dbraw/zinc/33/82/99/570338299.db2.gz KATMAMAVGODIMT-UHFFFAOYSA-N 0 0 398.369 4.605 50 0 GJAARN CCCn1c2ccccc2nc1N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000034906591 570339123 /nfs/dbraw/zinc/33/91/23/570339123.db2.gz RPWVFZWOTWODLB-UHFFFAOYSA-N 0 0 390.531 4.918 50 0 GJAARN Cc1cc(NC(=O)c2ccccc2Br)nn1-c1cccc(Cl)c1 ZINC000034907572 570339761 /nfs/dbraw/zinc/33/97/61/570339761.db2.gz WZILDDILQFMXIF-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN CCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1-c1ccc(OC)cc1 ZINC000034907342 570339845 /nfs/dbraw/zinc/33/98/45/570339845.db2.gz SHEZPLRTBSRWJK-UHFFFAOYSA-N 0 0 377.488 4.993 50 0 GJAARN CC[C@@H](CNC(=O)c1ccccc1SCc1noc(C)n1)c1ccccc1 ZINC000023007357 570340241 /nfs/dbraw/zinc/34/02/41/570340241.db2.gz OCEKSOUDCQYJRY-INIZCTEOSA-N 0 0 381.501 4.594 50 0 GJAARN O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000011692688 570340432 /nfs/dbraw/zinc/34/04/32/570340432.db2.gz ZUMBCVREGBSWRD-HSZRJFAPSA-N 0 0 396.425 4.760 50 0 GJAARN O=C(Nc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000023054912 570342067 /nfs/dbraw/zinc/34/20/67/570342067.db2.gz ZFDARWGDVMDZKG-STQMWFEESA-N 0 0 396.434 4.851 50 0 GJAARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1F ZINC000006219357 570343009 /nfs/dbraw/zinc/34/30/09/570343009.db2.gz LWJCFWPZKADZPR-UHFFFAOYSA-N 0 0 381.404 4.500 50 0 GJAARN O=C(c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1 ZINC000034898935 570343327 /nfs/dbraw/zinc/34/33/27/570343327.db2.gz TZUGGYIBZBVWEM-LJQANCHMSA-N 0 0 387.483 4.641 50 0 GJAARN CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@@H](C)c2ccccc2)c1 ZINC000034921573 570345211 /nfs/dbraw/zinc/34/52/11/570345211.db2.gz XLNBJHZWLVKLCB-KRWDZBQOSA-N 0 0 395.547 4.847 50 0 GJAARN C[C@H](NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004846830 570345740 /nfs/dbraw/zinc/34/57/40/570345740.db2.gz AEVGVYCDNMQEQY-IBGZPJMESA-N 0 0 387.479 4.629 50 0 GJAARN COc1ccc(C(=O)Nc2c(-c3cccc(F)c3)nc3cc(C)ccn32)cc1 ZINC000034913280 570346798 /nfs/dbraw/zinc/34/67/98/570346798.db2.gz XPUNRKVGQPAZRM-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN COc1cccc(C(=O)Nc2c(-c3cccc(F)c3)nc3cc(C)ccn32)c1 ZINC000034913310 570347118 /nfs/dbraw/zinc/34/71/18/570347118.db2.gz DYSNDMBIAOYOIN-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN COc1cccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1 ZINC000007904753 570347235 /nfs/dbraw/zinc/34/72/35/570347235.db2.gz UQJOSRFSLZRBPJ-UHFFFAOYSA-N 0 0 384.530 4.915 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399456 570350020 /nfs/dbraw/zinc/35/00/20/570350020.db2.gz DSERKCIKHURLMK-UHFFFAOYSA-N 0 0 395.865 4.827 50 0 biogenic GJAARN COc1ccccc1-c1noc(CSc2nc(C)c(Cc3ccccc3)[nH]2)n1 ZINC000023220808 570350532 /nfs/dbraw/zinc/35/05/32/570350532.db2.gz SCQZUABSKPBVDF-UHFFFAOYSA-N 0 0 392.484 4.660 50 0 GJAARN CCc1c(C)sc(NC(=O)/C=C\c2ccc(F)cc2)c1C(=O)OC(C)C ZINC000033449027 570350560 /nfs/dbraw/zinc/35/05/60/570350560.db2.gz XJWBIUBCHLRGDI-FLIBITNWSA-N 0 0 375.465 4.975 50 0 GJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc2c(s1)CCCC2 ZINC000006278054 570358872 /nfs/dbraw/zinc/35/88/72/570358872.db2.gz NPGOJELZZIPWHC-UHFFFAOYSA-N 0 0 392.528 4.864 50 0 GJAARN CCN(C(=O)c1cc2cc3cc(OC)ccc3nc2o1)c1ccc(OC)cc1 ZINC000004907702 570361269 /nfs/dbraw/zinc/36/12/69/570361269.db2.gz FHMYEMBFKXEIDQ-UHFFFAOYSA-N 0 0 376.412 4.665 50 0 GJAARN COC(=O)c1c(NC(=S)N2CCCc3ccccc32)sc2c1CCCC2 ZINC000006288184 570361885 /nfs/dbraw/zinc/36/18/85/570361885.db2.gz ZJJRXFNJDHGDBW-UHFFFAOYSA-N 0 0 386.542 4.563 50 0 GJAARN CCc1ccc(-c2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)n[nH]2)cc1 ZINC000008265868 570366051 /nfs/dbraw/zinc/36/60/51/570366051.db2.gz BFIYINCYILKAHE-NSHDSACASA-N 0 0 383.502 4.999 50 0 GJAARN COc1ccc(OC)c2c(C)cc(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000023633995 570367265 /nfs/dbraw/zinc/36/72/65/570367265.db2.gz DRLOSKINHMWNBO-UHFFFAOYSA-N 0 0 397.906 4.540 50 0 GJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000023621086 570367267 /nfs/dbraw/zinc/36/72/67/570367267.db2.gz MPNKCBFZZYZWBC-SFHVURJKSA-N 0 0 382.463 4.788 50 0 GJAARN FC(F)(F)c1cc(/C=C/c2noc(CN3CCCC3)n2)cc(C(F)(F)F)c1 ZINC000004322721 570367734 /nfs/dbraw/zinc/36/77/34/570367734.db2.gz RMVGFADCNWCYGC-ONEGZZNKSA-N 0 0 391.315 4.873 50 0 GJAARN COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CCCCCCCCCCC1 ZINC000004324528 570367759 /nfs/dbraw/zinc/36/77/59/570367759.db2.gz QVBSNPMNNYAXHT-UHFFFAOYSA-N 0 0 399.553 4.635 50 0 GJAARN O=C(NCc1nccnc1-c1ccsc1)Nc1ccc(C(F)(F)F)cc1 ZINC000575619690 570368532 /nfs/dbraw/zinc/36/85/32/570368532.db2.gz OVWVBFWFXQKPDF-UHFFFAOYSA-N 0 0 378.379 4.546 50 0 GJAARN O=C(Nc1ccccc1)[C@@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000022614622 570369005 /nfs/dbraw/zinc/36/90/05/570369005.db2.gz CFHVZWUREHFPSA-INIZCTEOSA-N 0 0 389.402 4.968 50 0 GJAARN C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc2ccccc2o1 ZINC000023695208 570369196 /nfs/dbraw/zinc/36/91/96/570369196.db2.gz SRJSMKJDVKYTQX-LBPRGKRZSA-N 0 0 380.425 4.831 50 0 GJAARN CC(C)N(C(C)C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O ZINC000004336618 570369373 /nfs/dbraw/zinc/36/93/73/570369373.db2.gz VPUHAFIOZRIUGE-NRFANRHFSA-N 0 0 383.923 4.599 50 0 GJAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cc(-c2cccs2)on1 ZINC000575621097 570370776 /nfs/dbraw/zinc/37/07/76/570370776.db2.gz VEFWWOWSVORRPV-UHFFFAOYSA-N 0 0 390.468 4.855 50 0 GJAARN CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)n1 ZINC000023792486 570372839 /nfs/dbraw/zinc/37/28/39/570372839.db2.gz DLJCZRYTLIIGGS-SNVBAGLBSA-N 0 0 398.359 4.932 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1cccc(C)c1)S2 ZINC000004932145 570373027 /nfs/dbraw/zinc/37/30/27/570373027.db2.gz DHXXOULNUPVNIX-DKNZLLBESA-N 0 0 380.513 4.633 50 0 GJAARN COc1ccc(OC)c(NC(=O)Nc2cccc(-c3noc(C4CCC4)n3)c2)c1 ZINC000035481914 570373480 /nfs/dbraw/zinc/37/34/80/570373480.db2.gz KEQCLACVLDXKFQ-UHFFFAOYSA-N 0 0 394.431 4.665 50 0 GJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)Nc1ccccc1F ZINC000004935199 570373814 /nfs/dbraw/zinc/37/38/14/570373814.db2.gz GYCMYXIOBDSIIC-UHFFFAOYSA-N 0 0 388.446 4.724 50 0 GJAARN CCCCCCNC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000004935794 570374169 /nfs/dbraw/zinc/37/41/69/570374169.db2.gz LPFISDSRJIGQRK-UHFFFAOYSA-N 0 0 392.547 4.951 50 0 GJAARN CCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 ZINC000004413645 570374451 /nfs/dbraw/zinc/37/44/51/570374451.db2.gz RGAMJXFTRJQHBD-UHFFFAOYSA-N 0 0 389.495 4.897 50 0 GJAARN COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccccc3)oc21 ZINC000004937792 570374700 /nfs/dbraw/zinc/37/47/00/570374700.db2.gz MHKVZBAJWJOLOX-FCQUAONHSA-N 0 0 391.448 4.507 50 0 GJAARN COc1ccc(CSc2nnc([C@@H](C)Oc3ccccc3F)o2)cc1F ZINC000004937982 570374800 /nfs/dbraw/zinc/37/48/00/570374800.db2.gz UQOABZOIDVRSHY-LLVKDONJSA-N 0 0 378.400 4.789 50 0 GJAARN CCn1c(=O)cc(SCC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc21 ZINC000004936495 570375562 /nfs/dbraw/zinc/37/55/62/570375562.db2.gz ZVDFGCYTVVIOOC-UHFFFAOYSA-N 0 0 390.867 4.545 50 0 GJAARN Cc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000004937139 570375942 /nfs/dbraw/zinc/37/59/42/570375942.db2.gz RLXMVIBRLYUEBU-UHFFFAOYSA-N 0 0 389.401 4.867 50 0 GJAARN Cc1cccc(CCNC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)c1 ZINC000004939581 570375958 /nfs/dbraw/zinc/37/59/58/570375958.db2.gz KNEXMBJNMREASN-UHFFFAOYSA-N 0 0 377.465 4.597 50 0 GJAARN COc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc32)cc1 ZINC000004937237 570376018 /nfs/dbraw/zinc/37/60/18/570376018.db2.gz ILDARMRRMXAAPG-UHFFFAOYSA-N 0 0 397.474 4.906 50 0 GJAARN CCOc1cc2c(cc1OCC)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000004488956 570378361 /nfs/dbraw/zinc/37/83/61/570378361.db2.gz TZIQOKGIHOUJET-ZDUSSCGKSA-N 0 0 379.378 4.977 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000024190988 570380459 /nfs/dbraw/zinc/38/04/59/570380459.db2.gz AXDHGJVHGZNHLS-UHFFFAOYSA-N 0 0 391.540 4.991 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024221151 570381239 /nfs/dbraw/zinc/38/12/39/570381239.db2.gz ZWHQHPWLFIWEEE-LSDHHAIUSA-N 0 0 380.469 4.938 50 0 GJAARN O=C(NCCc1ccccc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 ZINC000090607089 570382279 /nfs/dbraw/zinc/38/22/79/570382279.db2.gz NZQLFCGXHAZSOK-UHFFFAOYSA-N 0 0 394.544 4.769 50 0 GJAARN CN(C)c1cccc(C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)c1 ZINC000090607068 570382356 /nfs/dbraw/zinc/38/23/56/570382356.db2.gz WWKTZFPYUWWEBD-UHFFFAOYSA-N 0 0 394.544 4.723 50 0 GJAARN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 ZINC000023017259 570382667 /nfs/dbraw/zinc/38/26/67/570382667.db2.gz OYYVJSCYQSEGSK-SXQONABPSA-N 0 0 376.412 4.900 50 0 GJAARN COc1ccc(OC)c(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)c1 ZINC000004960843 570382767 /nfs/dbraw/zinc/38/27/67/570382767.db2.gz AUJLHWGFNDHMGQ-FQEVSTJZSA-N 0 0 395.846 4.523 50 0 GJAARN O[C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 ZINC000004551349 570383781 /nfs/dbraw/zinc/38/37/81/570383781.db2.gz IIDXTANDCIHAPJ-INIZCTEOSA-N 0 0 397.809 4.815 50 0 GJAARN O=C(CSc1ccc(F)cc1)N1CCC(CSCc2ccco2)CC1 ZINC000090608390 570384343 /nfs/dbraw/zinc/38/43/43/570384343.db2.gz AHJLYWOIDZWGGU-UHFFFAOYSA-N 0 0 379.522 4.683 50 0 GJAARN COc1ccc(NC(=O)CCCCCCCCCC[C@H]2COCCO2)cc1 ZINC000004577760 570385668 /nfs/dbraw/zinc/38/56/68/570385668.db2.gz XYOKDQCCBRNXQN-NRFANRHFSA-N 0 0 377.525 4.950 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](CC)C2 ZINC000004576719 570385682 /nfs/dbraw/zinc/38/56/82/570385682.db2.gz KHPWRZPMPFIEDX-ZDUSSCGKSA-N 0 0 387.501 4.701 50 0 GJAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cccc(C(F)(F)F)c1 ZINC000090613616 570387276 /nfs/dbraw/zinc/38/72/76/570387276.db2.gz DZLZCNCPJPIYQC-MRXNPFEDSA-N 0 0 397.443 4.840 50 0 GJAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000024640085 570388433 /nfs/dbraw/zinc/38/84/33/570388433.db2.gz HUXNZWYTOOBXSQ-UHFFFAOYSA-N 0 0 383.831 4.991 50 0 GJAARN O=C(NCc1ccc(Br)cc1)c1ccc(-c2ccc(F)cc2)nc1 ZINC000035514780 570389232 /nfs/dbraw/zinc/38/92/32/570389232.db2.gz WLNQLMGNBDCHBC-UHFFFAOYSA-N 0 0 385.236 4.580 50 0 GJAARN O=C(NC1CCCC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000035514322 570389340 /nfs/dbraw/zinc/38/93/40/570389340.db2.gz DIVHHHZBGIUBRP-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN Cc1cccc(CNC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000035515038 570389485 /nfs/dbraw/zinc/38/94/85/570389485.db2.gz OEVHUMLCWXGNNQ-SFHVURJKSA-N 0 0 397.478 4.689 50 0 GJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccccc1Cl ZINC000035537637 570390896 /nfs/dbraw/zinc/39/08/96/570390896.db2.gz WZLAGFTXRJGOTI-KRWDZBQOSA-N 0 0 399.922 4.681 50 0 GJAARN COc1cccc(NC(=O)c2c(C)onc2-c2ccc(Br)cc2)c1 ZINC000035536622 570390901 /nfs/dbraw/zinc/39/09/01/570390901.db2.gz ZRZDDXFVYFVSLC-UHFFFAOYSA-N 0 0 387.233 4.673 50 0 GJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(F)cc1 ZINC000035522834 570392084 /nfs/dbraw/zinc/39/20/84/570392084.db2.gz DSCJMLAQYFNYLP-UHFFFAOYSA-N 0 0 392.455 4.826 50 0 GJAARN O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Br)o1 ZINC000006329875 570392161 /nfs/dbraw/zinc/39/21/61/570392161.db2.gz NNNCYPMREVOZCB-UHFFFAOYSA-N 0 0 385.189 4.696 50 0 GJAARN O=C(NCCc1ccccc1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000035527311 570392515 /nfs/dbraw/zinc/39/25/15/570392515.db2.gz ZFVQXKVWAOIFAD-UHFFFAOYSA-N 0 0 395.462 4.908 50 0 biogenic GJAARN COC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000004703253 570395470 /nfs/dbraw/zinc/39/54/70/570395470.db2.gz ZFZJMVMQWCKNTQ-UHFFFAOYSA-N 0 0 384.284 4.652 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1 ZINC000004703082 570395426 /nfs/dbraw/zinc/39/54/26/570395426.db2.gz DHQVSDMXAVUVRS-HNNXBMFYSA-N 0 0 384.907 4.938 50 0 GJAARN Cc1nc(-c2ccc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)cc2)cs1 ZINC000035557770 570396530 /nfs/dbraw/zinc/39/65/30/570396530.db2.gz WZFZRSHDPGOMSY-CYBMUJFWSA-N 0 0 390.468 4.660 50 0 GJAARN Cn1c(=O)c2cc(C(=O)Nc3ccccc3F)sc2c2ccc(Cl)cc21 ZINC000005022197 570398521 /nfs/dbraw/zinc/39/85/21/570398521.db2.gz FEEADNPGLUITSG-UHFFFAOYSA-N 0 0 386.835 4.798 50 0 GJAARN CSc1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)c1 ZINC000035592879 570398837 /nfs/dbraw/zinc/39/88/37/570398837.db2.gz ACKWXJPXDDZNGD-CYBMUJFWSA-N 0 0 380.469 4.568 50 0 GJAARN CCCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000004733318 570399155 /nfs/dbraw/zinc/39/91/55/570399155.db2.gz NCNXKGDOUIJZEX-UHFFFAOYSA-N 0 0 387.439 4.609 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@H](c2cccc(OC)c2)C1C(=O)OCC ZINC000004735573 570399600 /nfs/dbraw/zinc/39/96/00/570399600.db2.gz TYLZEJFEYXULHU-OAQYLSRUSA-N 0 0 391.471 4.677 50 0 GJAARN CC(=O)n1c(S[C@@H](C)C(=O)Nc2cccc3ccccc32)nc2ccccc21 ZINC000004741817 570400982 /nfs/dbraw/zinc/40/09/82/570400982.db2.gz SIPWMOLQEWEKGW-AWEZNQCLSA-N 0 0 389.480 4.969 50 0 GJAARN Cc1ccc(Sc2nccnc2Oc2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000033139948 570402253 /nfs/dbraw/zinc/40/22/53/570402253.db2.gz NFEDNYKTYPTHTC-UHFFFAOYSA-N 0 0 377.469 4.621 50 0 GJAARN CC[C@H](C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O)c1ccccc1 ZINC000004750424 570402786 /nfs/dbraw/zinc/40/27/86/570402786.db2.gz AKJAGEMKCFRLTN-KRWDZBQOSA-N 0 0 378.497 4.955 50 0 GJAARN Cc1cc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)ccc1Br ZINC000033254307 570403272 /nfs/dbraw/zinc/40/32/72/570403272.db2.gz YEQAGLWQTWGGDR-UHFFFAOYSA-N 0 0 398.260 4.937 50 0 GJAARN CCc1ccc2nc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)sc2c1 ZINC000004757376 570403814 /nfs/dbraw/zinc/40/38/14/570403814.db2.gz WITCRVOSHGGFRD-INIZCTEOSA-N 0 0 393.556 4.953 50 0 GJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c1 ZINC000005035350 570403970 /nfs/dbraw/zinc/40/39/70/570403970.db2.gz WIVRAOORWRZXMS-UHFFFAOYSA-N 0 0 376.368 4.539 50 0 GJAARN COc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1 ZINC000004777229 570405016 /nfs/dbraw/zinc/40/50/16/570405016.db2.gz ZITHJEQVXURXAU-UHFFFAOYSA-N 0 0 397.481 4.691 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2)csc1N1C(=O)Nc2ccccc2N1O ZINC000005047657 570405936 /nfs/dbraw/zinc/40/59/36/570405936.db2.gz XGXSVCNPTXUVMD-UHFFFAOYSA-N 0 0 395.440 4.755 50 0 GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000033312565 570406290 /nfs/dbraw/zinc/40/62/90/570406290.db2.gz WIMYMMWMOXGNKM-UHFFFAOYSA-N 0 0 380.517 4.859 50 0 GJAARN COc1cccc(CNc2nc3ccc(C)cc3cc2-c2noc(C)n2)c1OC ZINC000033331403 570406716 /nfs/dbraw/zinc/40/67/16/570406716.db2.gz UAVPKFRRUMVQEB-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000012982207 570406926 /nfs/dbraw/zinc/40/69/26/570406926.db2.gz SSGJFHLYPPBOOR-YJBOKZPZSA-N 0 0 392.952 4.757 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(OC)c1 ZINC000004809598 570407060 /nfs/dbraw/zinc/40/70/60/570407060.db2.gz MTVWCBVRUZBAOK-UHFFFAOYSA-N 0 0 387.439 4.579 50 0 GJAARN CCN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2OCC(C)(C)C1=O ZINC000010972168 570407279 /nfs/dbraw/zinc/40/72/79/570407279.db2.gz JJHNSPLFHURTCP-UHFFFAOYSA-N 0 0 396.531 4.613 50 0 GJAARN Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000004810796 570407355 /nfs/dbraw/zinc/40/73/55/570407355.db2.gz PLZRRHUXTBJLQL-UHFFFAOYSA-N 0 0 396.221 4.841 50 0 GJAARN O[C@@H](CSc1nnc(Nc2ccccc2F)s1)c1ccc(Cl)cc1 ZINC000040050237 570409525 /nfs/dbraw/zinc/40/95/25/570409525.db2.gz BQXSRKQKOZVBIY-AWEZNQCLSA-N 0 0 381.885 4.900 50 0 GJAARN O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(Oc2ccccc2)cc1 ZINC000012996842 570410773 /nfs/dbraw/zinc/41/07/73/570410773.db2.gz KAXNZQLBVOURSY-UHFFFAOYSA-N 0 0 379.485 4.784 50 0 GJAARN CCCOc1ccc(NC(=O)c2cc(=O)c3cccc(C)c3o2)c2cccnc12 ZINC000035671042 570411481 /nfs/dbraw/zinc/41/14/81/570411481.db2.gz UZFWGCIKBASISF-UHFFFAOYSA-N 0 0 388.423 4.691 50 0 GJAARN COc1cc(CN(Cc2ccco2)C(=O)Nc2ccccc2)cc(OC)c1OC ZINC000006421622 570412533 /nfs/dbraw/zinc/41/25/33/570412533.db2.gz BBRYDDQZIDYHDB-UHFFFAOYSA-N 0 0 396.443 4.540 50 0 GJAARN CCOc1ccc(CNc2ccc(NC(=O)c3ccco3)cc2)cc1OCC ZINC000004865858 570413624 /nfs/dbraw/zinc/41/36/24/570413624.db2.gz UHJFBYUWYPEHAA-UHFFFAOYSA-N 0 0 380.444 4.941 50 0 GJAARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000004881064 570415101 /nfs/dbraw/zinc/41/51/01/570415101.db2.gz JOBDJKSECTUUJC-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000005100287 570416733 /nfs/dbraw/zinc/41/67/33/570416733.db2.gz CFSHSZBJCCTXPY-OSPHWJPCSA-N 0 0 388.231 4.690 50 0 GJAARN CCOc1ccc(C(=O)CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000006434107 570418112 /nfs/dbraw/zinc/41/81/12/570418112.db2.gz MTWDRRINZWFRJM-UHFFFAOYSA-N 0 0 380.271 4.671 50 0 GJAARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2C(F)(F)F)CC(=O)N1 ZINC000004916848 570418323 /nfs/dbraw/zinc/41/83/23/570418323.db2.gz PZDBEAQDQRYKKF-MRXNPFEDSA-N 0 0 395.421 4.849 50 0 GJAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NCc4ccccc4F)C3)nc2c(C)c1 ZINC000005107805 570418477 /nfs/dbraw/zinc/41/84/77/570418477.db2.gz AZIRWWWFNTXGBI-QGZVFWFLSA-N 0 0 397.519 4.585 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(F)c(F)c1 ZINC000005108245 570418702 /nfs/dbraw/zinc/41/87/02/570418702.db2.gz BCXMFFPVMGLPNQ-UHFFFAOYSA-N 0 0 376.403 4.508 50 0 GJAARN Cc1csc(SCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)n1 ZINC000005101562 570419130 /nfs/dbraw/zinc/41/91/30/570419130.db2.gz RSOAXTABAFRNSO-KRWDZBQOSA-N 0 0 397.525 4.823 50 0 GJAARN O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1C[C@H]1CCCO1 ZINC000005129774 570422677 /nfs/dbraw/zinc/42/26/77/570422677.db2.gz SOPQHCBKFVKOFC-MRXNPFEDSA-N 0 0 386.904 4.521 50 0 GJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C)c2ccccc2)cc1 ZINC000005013328 570423813 /nfs/dbraw/zinc/42/38/13/570423813.db2.gz HLWJMNNGVHUTSC-INIZCTEOSA-N 0 0 375.424 4.866 50 0 GJAARN O=c1c2cc(-c3ccccc3)sc2nnn1Cc1ccc(Cl)c(Cl)c1 ZINC000001785061 570423936 /nfs/dbraw/zinc/42/39/36/570423936.db2.gz MHKNBKKBOBPFSQ-UHFFFAOYSA-N 0 0 388.279 4.875 50 0 GJAARN O=c1c2cc(-c3ccccc3)sc2nnn1Cc1c(Cl)cccc1Cl ZINC000001785056 570423966 /nfs/dbraw/zinc/42/39/66/570423966.db2.gz MZUCYDQBLCUGHH-UHFFFAOYSA-N 0 0 388.279 4.875 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c4c(cccc42)CC3)c1C ZINC000026274387 570424094 /nfs/dbraw/zinc/42/40/94/570424094.db2.gz UUVBUNRJGOFTJZ-OAHLLOKOSA-N 0 0 389.451 4.514 50 0 GJAARN C[C@@H]1CCC[C@H](C)N1c1nnc(NC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000005135354 570424100 /nfs/dbraw/zinc/42/41/00/570424100.db2.gz SDZBFBFLGJSANK-PHIMTYICSA-N 0 0 399.442 4.968 50 0 GJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026295632 570424498 /nfs/dbraw/zinc/42/44/98/570424498.db2.gz ZTFCLPNPYSPQIJ-KBPBESRZSA-N 0 0 382.348 4.968 50 0 GJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3)c(C)c2C(=O)[O-])cc1 ZINC000005138260 570425158 /nfs/dbraw/zinc/42/51/58/570425158.db2.gz VTROSBJVSBSZJN-UHFFFAOYSA-N 0 0 392.499 4.540 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000005042453 570425517 /nfs/dbraw/zinc/42/55/17/570425517.db2.gz ONTRMXCEWLQVED-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN COc1ccccc1-c1cc(C(=O)NCc2ccccc2F)c2ccccc2n1 ZINC000005048803 570426204 /nfs/dbraw/zinc/42/62/04/570426204.db2.gz GZPWZNKNDCDEAG-UHFFFAOYSA-N 0 0 386.426 4.980 50 0 GJAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1ccc(F)cc1 ZINC000005053319 570426464 /nfs/dbraw/zinc/42/64/64/570426464.db2.gz PPIHYQFCEOOTHT-LJQANCHMSA-N 0 0 396.443 4.628 50 0 GJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@H]2CCCC[C@H]2C)c1C ZINC000005054055 570426728 /nfs/dbraw/zinc/42/67/28/570426728.db2.gz MIZCPRKIOUIVDP-UZLBHIALSA-N 0 0 396.531 4.644 50 0 GJAARN Cc1c(C[NH2+]CCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146341 570426760 /nfs/dbraw/zinc/42/67/60/570426760.db2.gz KTHHRNHHNRMFRG-UHFFFAOYSA-N 0 0 396.918 4.837 50 0 GJAARN CC(C)Cc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)s1 ZINC000006459378 570426870 /nfs/dbraw/zinc/42/68/70/570426870.db2.gz WZBSWHZBPHRZHB-UHFFFAOYSA-N 0 0 389.484 4.599 50 0 GJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cc(C)cc(C)c4)csc3n2)cc1 ZINC000005146854 570427091 /nfs/dbraw/zinc/42/70/91/570427091.db2.gz JSPORDACFIWBCQ-UHFFFAOYSA-N 0 0 391.496 4.869 50 0 GJAARN O=C(CCc1ccco1)Nc1ncc(Cc2ccccc2Br)s1 ZINC000026624007 570427485 /nfs/dbraw/zinc/42/74/85/570427485.db2.gz LTMLDIGBRZQCJS-UHFFFAOYSA-N 0 0 391.290 4.661 50 0 GJAARN Cc1ccc(C(=O)C2CCN([C@H](C)c3nc(-c4ccco4)no3)CC2)c(C)c1 ZINC000026644479 570427591 /nfs/dbraw/zinc/42/75/91/570427591.db2.gz ORWXBRAVHGABHZ-MRXNPFEDSA-N 0 0 379.460 4.602 50 0 GJAARN COc1ccc2nc(NC(=O)c3cccc4c3-c3ccccc3C4=O)sc2c1 ZINC000005063823 570427898 /nfs/dbraw/zinc/42/78/98/570427898.db2.gz CHQQXOARVYCIAK-UHFFFAOYSA-N 0 0 386.432 4.769 50 0 GJAARN COc1cccc(OC)c1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000005077822 570428344 /nfs/dbraw/zinc/42/83/44/570428344.db2.gz WITXCMLSLYVUED-OAQYLSRUSA-N 0 0 381.859 4.877 50 0 GJAARN CCCCOCCCn1c2nc3ccccc3nc2nc1-c1ccc(F)cc1 ZINC000005151221 570428546 /nfs/dbraw/zinc/42/85/46/570428546.db2.gz TYTTYHDKPCZBDS-UHFFFAOYSA-N 0 0 378.451 4.992 50 0 GJAARN Cc1ccc(NC(=O)/C(=C\c2ccc(Cl)cc2)NC(=O)c2ccco2)cc1 ZINC000005092065 570428647 /nfs/dbraw/zinc/42/86/47/570428647.db2.gz KRMDLARPOXRORI-QGOAFFKASA-N 0 0 380.831 4.651 50 0 GJAARN C[C@H]1CN(C(=O)c2ccc(COc3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000005127332 570430085 /nfs/dbraw/zinc/43/00/85/570430085.db2.gz NNTUSYMOTQWYOW-ROUUACIJSA-N 0 0 375.468 4.668 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1ncnc2ccsc21 ZINC000026963709 570430579 /nfs/dbraw/zinc/43/05/79/570430579.db2.gz BHFIQYJPPNQABM-JTQLQIEISA-N 0 0 393.921 4.781 50 0 GJAARN CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000005187165 570430887 /nfs/dbraw/zinc/43/08/87/570430887.db2.gz YBOZXCCDYWBYLK-QGZVFWFLSA-N 0 0 381.284 4.730 50 0 GJAARN Cc1cc(N2CCOCC2)nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc12 ZINC000032953823 570433710 /nfs/dbraw/zinc/43/37/10/570433710.db2.gz JUWLZBLMCZFWHM-UHFFFAOYSA-N 0 0 396.878 4.677 50 0 GJAARN Cc1nc2cc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)ccc2o1 ZINC000027390274 570434213 /nfs/dbraw/zinc/43/42/13/570434213.db2.gz LDLKZRGKMRQMRS-UHFFFAOYSA-N 0 0 380.835 4.844 50 0 GJAARN Cc1ccccc1CSc1nc2n[nH]cc2c(=O)n1-c1ccc(Cl)c(C)c1 ZINC000005156379 570434298 /nfs/dbraw/zinc/43/42/98/570434298.db2.gz BAWUOPRMNZTGGH-UHFFFAOYSA-N 0 0 396.903 4.671 50 0 GJAARN Cc1cc(C)n(-c2ccc(NC(=O)c3occc3COc3ccccc3)cc2)n1 ZINC000027488549 570434733 /nfs/dbraw/zinc/43/47/33/570434733.db2.gz NFGKEPSLFXEUPU-UHFFFAOYSA-N 0 0 387.439 4.913 50 0 GJAARN Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1C ZINC000027583038 570436810 /nfs/dbraw/zinc/43/68/10/570436810.db2.gz CZOJTKRDUCIRLL-INIZCTEOSA-N 0 0 379.460 4.883 50 0 GJAARN Cc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)c1C ZINC000011835126 570436917 /nfs/dbraw/zinc/43/69/17/570436917.db2.gz NXTWKBCKRQZTFV-UHFFFAOYSA-N 0 0 397.475 4.723 50 0 GJAARN Cc1noc(C)c1CN(C)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000044348552 570437704 /nfs/dbraw/zinc/43/77/04/570437704.db2.gz ZOQZFNNOVVESOI-UHFFFAOYSA-N 0 0 376.460 4.650 50 0 GJAARN COc1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)cc1 ZINC000027744963 570441180 /nfs/dbraw/zinc/44/11/80/570441180.db2.gz SSIUNNMMLOSKNX-UHFFFAOYSA-N 0 0 397.272 4.700 50 0 GJAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000006464121 570441897 /nfs/dbraw/zinc/44/18/97/570441897.db2.gz UNGCOFPGVYJPEW-UHFFFAOYSA-N 0 0 394.283 4.762 50 0 GJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCO[C@H](c2ccccc2)C1 ZINC000027909000 570444873 /nfs/dbraw/zinc/44/48/73/570444873.db2.gz HSGPJUNMNIHSPU-DEOSSOPVSA-N 0 0 395.462 4.511 50 0 GJAARN CC(C)(C)c1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 ZINC000044420192 570445236 /nfs/dbraw/zinc/44/52/36/570445236.db2.gz BSOOLNVDUSKKSU-HNNXBMFYSA-N 0 0 379.435 4.694 50 0 GJAARN CCn1c(CSc2nc3cc(Br)ccc3[nH]2)nc2ccccc21 ZINC000005569532 570446800 /nfs/dbraw/zinc/44/68/00/570446800.db2.gz IBKHKHSCCRVHGG-UHFFFAOYSA-N 0 0 387.306 4.987 50 0 GJAARN CCc1ccc(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000005569375 570446836 /nfs/dbraw/zinc/44/68/36/570446836.db2.gz QCYBTIGOJKMWCD-UHFFFAOYSA-N 0 0 383.300 4.691 50 0 GJAARN CC[C@@H](C)[C@@H](C(=O)Nc1c(C)cc(C)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001910527 570446982 /nfs/dbraw/zinc/44/69/82/570446982.db2.gz CNNMRPJXAJIPCW-YJYMSZOUSA-N 0 0 398.890 4.606 50 0 GJAARN Cc1cc(O[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)ccc1Cl ZINC000011916741 570447418 /nfs/dbraw/zinc/44/74/18/570447418.db2.gz ZPGDAYFMXGTTDU-LLVKDONJSA-N 0 0 391.855 4.712 50 0 GJAARN CCN(CC)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3 ZINC000005585259 570447699 /nfs/dbraw/zinc/44/76/99/570447699.db2.gz OBLWELNGAMRGAS-UHFFFAOYSA-N 0 0 385.558 4.968 50 0 GJAARN COC(=O)c1sc(NN=c2cc(-c3ccccc3)oc3ccccc32)nc1C ZINC000001915156 570448213 /nfs/dbraw/zinc/44/82/13/570448213.db2.gz KJSUWWJWSCTHNC-XQNSMLJCSA-N 0 0 391.452 4.579 50 0 GJAARN Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2c1 ZINC000027990845 570448362 /nfs/dbraw/zinc/44/83/62/570448362.db2.gz MUULUYWRUFQOTC-UHFFFAOYSA-N 0 0 393.464 4.907 50 0 GJAARN Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc(F)cc3)cc(=O)c2c1 ZINC000027990929 570448421 /nfs/dbraw/zinc/44/84/21/570448421.db2.gz FCZPUEFSPOOPBQ-UHFFFAOYSA-N 0 0 391.398 4.676 50 0 GJAARN CSCC[C@@H](NC(=O)c1nc(C)sc1C(C)C)c1nc2ccccc2[nH]1 ZINC000223228598 570451574 /nfs/dbraw/zinc/45/15/74/570451574.db2.gz ZEHISNAOMQLGET-OAHLLOKOSA-N 0 0 388.562 4.675 50 0 GJAARN CCCCCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c2ccccc12 ZINC000028251891 570453185 /nfs/dbraw/zinc/45/31/85/570453185.db2.gz DRPFDQLLAOIEBS-QGZVFWFLSA-N 0 0 375.534 4.829 50 0 GJAARN CCSc1ncc(Br)c(-c2nnc(-c3ccccc3Cl)o2)n1 ZINC000028287109 570454072 /nfs/dbraw/zinc/45/40/72/570454072.db2.gz QRLPGJZALNCJDH-UHFFFAOYSA-N 0 0 397.685 4.722 50 0 GJAARN COc1ccc2c(c1)CCc1cc(C(=O)Nc3nnc(CC(C)C)s3)sc1-2 ZINC000006508306 570461135 /nfs/dbraw/zinc/46/11/35/570461135.db2.gz HQMGZFOMSVFZOU-UHFFFAOYSA-N 0 0 399.541 4.825 50 0 GJAARN C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000006509489 570461848 /nfs/dbraw/zinc/46/18/48/570461848.db2.gz ULOODFOBKRBGEW-ZDUSSCGKSA-N 0 0 384.328 4.983 50 0 GJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)CCc3ccccc3Cl)n2)C1 ZINC000028685326 570463016 /nfs/dbraw/zinc/46/30/16/570463016.db2.gz MDFXTGKRMVZEJT-CQSZACIVSA-N 0 0 377.941 4.600 50 0 GJAARN CCn1c(=S)[nH]nc1-c1cccc(COc2ccccc2Br)c1 ZINC000005967888 570463406 /nfs/dbraw/zinc/46/34/06/570463406.db2.gz MNWKCOUCCCAIFD-UHFFFAOYSA-N 0 0 390.306 4.969 50 0 GJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000035843533 570464020 /nfs/dbraw/zinc/46/40/20/570464020.db2.gz DIONUXIYAOUMFH-UHFFFAOYSA-N 0 0 377.488 4.774 50 0 GJAARN Cc1cc(C)cc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)c1 ZINC000064471703 570467123 /nfs/dbraw/zinc/46/71/23/570467123.db2.gz KDPRHBWLLROHFK-UHFFFAOYSA-N 0 0 395.503 4.923 50 0 GJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)cc1 ZINC000005163266 570467870 /nfs/dbraw/zinc/46/78/70/570467870.db2.gz YPPJZKUHUKOMQJ-IBGZPJMESA-N 0 0 397.478 4.614 50 0 GJAARN CCc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1 ZINC000006143676 570469526 /nfs/dbraw/zinc/46/95/26/570469526.db2.gz MPVUPCXXEPASHN-UHFFFAOYSA-N 0 0 391.496 4.673 50 0 GJAARN CCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1 ZINC000006539646 570470649 /nfs/dbraw/zinc/47/06/49/570470649.db2.gz NMLOLGFPPXUPMY-UHFFFAOYSA-N 0 0 391.855 4.674 50 0 GJAARN C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000029239169 570470930 /nfs/dbraw/zinc/47/09/30/570470930.db2.gz ZPMKWNLEJJRUQO-NSHDSACASA-N 0 0 386.211 4.888 50 0 GJAARN CCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1ccc(OC)c(OC)c1 ZINC000035888767 570472152 /nfs/dbraw/zinc/47/21/52/570472152.db2.gz GYFGJMRIRHSERZ-IBGZPJMESA-N 0 0 394.515 4.796 50 0 GJAARN Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000006547897 570472727 /nfs/dbraw/zinc/47/27/27/570472727.db2.gz LIDCAHLQLOVJJU-UHFFFAOYSA-N 0 0 378.664 4.812 50 0 GJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000006549668 570472938 /nfs/dbraw/zinc/47/29/38/570472938.db2.gz FQICQADDJIUQMY-OAHLLOKOSA-N 0 0 378.501 4.572 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 ZINC000005164807 570473654 /nfs/dbraw/zinc/47/36/54/570473654.db2.gz OYPVOPCWDLCKSV-FJIJXJHWSA-N 0 0 397.490 4.733 50 0 GJAARN CCc1cccc(C)c1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000006543924 570473814 /nfs/dbraw/zinc/47/38/14/570473814.db2.gz ABWSEHHTRUODAK-UHFFFAOYSA-N 0 0 387.479 4.949 50 0 GJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccccc1F ZINC000006543713 570473943 /nfs/dbraw/zinc/47/39/43/570473943.db2.gz FYMNOZWEGGLGAI-UHFFFAOYSA-N 0 0 377.491 4.533 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cn1 ZINC000029461499 570474274 /nfs/dbraw/zinc/47/42/74/570474274.db2.gz RMKZHDBYOGSRNP-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN CCc1nc2sc3c(c2c(N2CCN(c4ccc(F)cc4)CC2)n1)CCCC3 ZINC000035892692 570474297 /nfs/dbraw/zinc/47/42/97/570474297.db2.gz UWNLCAQDLLRFGP-UHFFFAOYSA-N 0 0 396.535 4.598 50 0 GJAARN CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1 ZINC000006552117 570474719 /nfs/dbraw/zinc/47/47/19/570474719.db2.gz UAEBFJYBJAOUMC-UHFFFAOYSA-N 0 0 380.296 4.967 50 0 GJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccccc1C(F)(F)F ZINC000006558103 570477047 /nfs/dbraw/zinc/47/70/47/570477047.db2.gz HSRMQRMNMYAYBO-UHFFFAOYSA-N 0 0 378.394 4.505 50 0 GJAARN CN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2ccccc2n1 ZINC000072288052 570478412 /nfs/dbraw/zinc/47/84/12/570478412.db2.gz PNBKLLRBUSFNHH-UHFFFAOYSA-N 0 0 392.846 4.534 50 0 GJAARN C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nc(-c2ccco2)no1 ZINC000029738787 570478888 /nfs/dbraw/zinc/47/88/88/570478888.db2.gz ZBZVOMPNIPMCIW-LBPRGKRZSA-N 0 0 379.445 4.641 50 0 GJAARN COc1ccc(C=C2CCCC3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000006404145 570478939 /nfs/dbraw/zinc/47/89/39/570478939.db2.gz LWRQTWWJJNMEKW-PVGBUVFQSA-N 0 0 392.524 4.744 50 0 GJAARN CCOc1ccc2nc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)sc2c1 ZINC000006420032 570479546 /nfs/dbraw/zinc/47/95/46/570479546.db2.gz SSEUEQOLYPDVLX-UHFFFAOYSA-N 0 0 398.513 4.611 50 0 GJAARN O=C(Nc1cc(-c2cccc(Br)c2)ncn1)C1(c2ccccc2)CC1 ZINC000072290550 570482402 /nfs/dbraw/zinc/48/24/02/570482402.db2.gz IUQGXRSTFDABJK-UHFFFAOYSA-N 0 0 394.272 4.576 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F ZINC000006586440 570484106 /nfs/dbraw/zinc/48/41/06/570484106.db2.gz BNEFUQKHPFWCNJ-JKIFEVAISA-N 0 0 386.410 4.866 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000002444293 570485884 /nfs/dbraw/zinc/48/58/84/570485884.db2.gz QHCCSYAPPFSZHJ-UHFFFAOYSA-N 0 0 394.544 4.819 50 0 GJAARN Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1CCc1cccs1 ZINC000006589884 570487808 /nfs/dbraw/zinc/48/78/08/570487808.db2.gz NIMLCBUFSUDTFM-UHFFFAOYSA-N 0 0 391.496 4.614 50 0 GJAARN O=C(Nc1ccc(-c2noc(-c3ccccn3)n2)cc1)c1cccc(Cl)c1 ZINC000006701751 570488990 /nfs/dbraw/zinc/48/89/90/570488990.db2.gz SCYOWKVHCZUDAF-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN O=C(COc1ccccc1)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000006704953 570489274 /nfs/dbraw/zinc/48/92/74/570489274.db2.gz CBHKURODQPSXDK-UHFFFAOYSA-N 0 0 391.905 4.501 50 0 GJAARN CCN(CC)c1cc(C)c2cc(NC(=O)CCc3ccc(OC)cc3)ccc2n1 ZINC000006725126 570490248 /nfs/dbraw/zinc/49/02/48/570490248.db2.gz NFELTTJKPVUNMK-UHFFFAOYSA-N 0 0 391.515 4.969 50 0 GJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccccc1 ZINC000005168951 570490647 /nfs/dbraw/zinc/49/06/47/570490647.db2.gz APBRYIIAVFMORR-UHFFFAOYSA-N 0 0 397.463 4.772 50 0 GJAARN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C ZINC000089548271 570492838 /nfs/dbraw/zinc/49/28/38/570492838.db2.gz JCPAMNVCOYFEIJ-PKOBYXMFSA-N 0 0 390.549 4.744 50 0 GJAARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(C)c3)C2)cc1OC ZINC000004813495 570498157 /nfs/dbraw/zinc/49/81/57/570498157.db2.gz CFNPVSBYOGZSSJ-LJQANCHMSA-N 0 0 390.439 4.597 50 0 GJAARN CCN(CC)c1ccc(Nc2c(=O)c(=O)c2-c2cc(C)c(C)cc2C)c(C)c1 ZINC000006901751 570498662 /nfs/dbraw/zinc/49/86/62/570498662.db2.gz QBJIVKPMBZSZHU-UHFFFAOYSA-N 0 0 376.500 4.773 50 0 GJAARN CC(=O)Oc1c(C)cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1C ZINC000002059356 570501644 /nfs/dbraw/zinc/50/16/44/570501644.db2.gz FBSMVHNZESZMGK-DEDYPNTBSA-N 0 0 391.467 4.871 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000043170966 570501753 /nfs/dbraw/zinc/50/17/53/570501753.db2.gz CYSBNSDSYSSEHW-UHFFFAOYSA-N 0 0 389.446 4.972 50 0 GJAARN CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCc3ccccc3)c1)CC(=O)N2 ZINC000061719821 570502508 /nfs/dbraw/zinc/50/25/08/570502508.db2.gz FHNSWIJDJNFUJA-OAHLLOKOSA-N 0 0 395.484 4.896 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)o1 ZINC000006612438 570504514 /nfs/dbraw/zinc/50/45/14/570504514.db2.gz MEHVONZGZDJCBX-RYUDHWBXSA-N 0 0 394.265 4.740 50 0 GJAARN CCOC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)nc1C ZINC000002696850 570504907 /nfs/dbraw/zinc/50/49/07/570504907.db2.gz SKAODYSNOWETBN-UHFFFAOYSA-N 0 0 382.247 4.826 50 0 GJAARN C[S@](=O)C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000072301695 570505378 /nfs/dbraw/zinc/50/53/78/570505378.db2.gz PCCVNMSMHVOKTI-LYZGTLIUSA-N 0 0 387.508 4.829 50 0 GJAARN CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 ZINC000006617350 570505669 /nfs/dbraw/zinc/50/56/69/570505669.db2.gz XNPKOBXBPDQORK-UHFFFAOYSA-N 0 0 398.484 4.543 50 0 GJAARN Cc1ccc(-n2c(=O)c3c(nc2SCc2cccc(F)c2)CCS3)cc1 ZINC000002719776 570507971 /nfs/dbraw/zinc/50/79/71/570507971.db2.gz CDKOJMZIPFJDPF-UHFFFAOYSA-N 0 0 384.501 4.621 50 0 GJAARN CC[C@@H](C)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000006623904 570508042 /nfs/dbraw/zinc/50/80/42/570508042.db2.gz GJDUCWZRVXQANU-CQSZACIVSA-N 0 0 389.451 4.972 50 0 biogenic GJAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc32)cc1 ZINC000002723184 570508890 /nfs/dbraw/zinc/50/88/90/570508890.db2.gz CYEMEJVSYLBGSC-UHFFFAOYSA-N 0 0 389.480 4.765 50 0 GJAARN Cc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3ccco3)no2)c(C)c1 ZINC000036011954 570509084 /nfs/dbraw/zinc/50/90/84/570509084.db2.gz RVEWXVUTXIIENP-UHFFFAOYSA-N 0 0 376.412 4.987 50 0 GJAARN Cc1cc(C)c2c3ccccc3n(CCNC(=S)NC3CCCCC3)c2n1 ZINC000006626695 570509898 /nfs/dbraw/zinc/50/98/98/570509898.db2.gz RATUQEFOTYNJHU-UHFFFAOYSA-N 0 0 380.561 4.603 50 0 GJAARN O=c1c2c(nc(SCc3ccccc3Cl)n1-c1ccccc1)CCS2 ZINC000002719728 570510137 /nfs/dbraw/zinc/51/01/37/570510137.db2.gz CNHKZLMUPYSTDR-UHFFFAOYSA-N 0 0 386.929 4.826 50 0 GJAARN Cc1noc(C)c1CSc1nc2cc(Cl)ccc2c(=O)n1CC(C)C ZINC000005212525 570511703 /nfs/dbraw/zinc/51/17/03/570511703.db2.gz IHJSRMPRBJPNQU-UHFFFAOYSA-N 0 0 377.897 4.603 50 0 GJAARN O=C(Nc1ccnn1Cc1cccs1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032593421 570511754 /nfs/dbraw/zinc/51/17/54/570511754.db2.gz LFHUIEFQKILKJT-UHFFFAOYSA-N 0 0 384.848 4.554 50 0 GJAARN O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1c(F)cccc1F ZINC000002760951 570511857 /nfs/dbraw/zinc/51/18/57/570511857.db2.gz FEIBDYNSMWOJBI-UHFFFAOYSA-N 0 0 382.197 4.769 50 0 GJAARN CCOCCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657708 570512228 /nfs/dbraw/zinc/51/22/28/570512228.db2.gz SOLGEEYKPQLEDC-UHFFFAOYSA-N 0 0 376.909 4.566 50 0 GJAARN CCOc1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000006638440 570512413 /nfs/dbraw/zinc/51/24/13/570512413.db2.gz AOMYHOXYLJCTAW-UHFFFAOYSA-N 0 0 390.814 4.883 50 0 GJAARN COC(=O)c1cc2ccsc2n1[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000064659234 570513167 /nfs/dbraw/zinc/51/31/67/570513167.db2.gz FICLTBVQMIFQTA-LLVKDONJSA-N 0 0 376.865 4.651 50 0 GJAARN CC(=C\c1ccccc1)/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O ZINC000002782968 570514112 /nfs/dbraw/zinc/51/41/12/570514112.db2.gz UZWVXKZLHYJKMM-UBSBAQTRSA-N 0 0 392.480 4.616 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(CC2CCCC2)s1 ZINC000002789313 570514572 /nfs/dbraw/zinc/51/45/72/570514572.db2.gz QBXDCHOSLITMIN-UHFFFAOYSA-N 0 0 386.304 4.595 50 0 GJAARN O=C(Nc1cccc2ccccc21)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002779026 570515727 /nfs/dbraw/zinc/51/57/27/570515727.db2.gz RQKIRDRVOOAZSS-UHFFFAOYSA-N 0 0 378.382 4.950 50 0 GJAARN COc1ccc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1OC ZINC000002776015 570515787 /nfs/dbraw/zinc/51/57/87/570515787.db2.gz QGSKYAVQQLPZTN-UHFFFAOYSA-N 0 0 386.407 4.533 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C1CCC1 ZINC000006648201 570517466 /nfs/dbraw/zinc/51/74/66/570517466.db2.gz CVHQKPZPMMGGME-UHFFFAOYSA-N 0 0 379.891 4.951 50 0 GJAARN Cc1cc2ncn(Cc3nc(-c4cccc(Br)c4)no3)c2cc1C ZINC000006648008 570517487 /nfs/dbraw/zinc/51/74/87/570517487.db2.gz ITVASNAZIBUOKI-UHFFFAOYSA-N 0 0 383.249 4.514 50 0 GJAARN O=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1ccccc1Cl ZINC000002794455 570518168 /nfs/dbraw/zinc/51/81/68/570518168.db2.gz UIPQNYZVLIIKFA-UHFFFAOYSA-N 0 0 381.650 4.539 50 0 GJAARN Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000033086882 570519343 /nfs/dbraw/zinc/51/93/43/570519343.db2.gz WFKQFFBGJCNLRP-FQEVSTJZSA-N 0 0 388.533 4.865 50 0 GJAARN COc1ccccc1[C@H](CNC(=S)Nc1ccc(Cl)cc1Cl)N(C)C ZINC000006650782 570519626 /nfs/dbraw/zinc/51/96/26/570519626.db2.gz MELBTYIIJRBKQW-INIZCTEOSA-N 0 0 398.359 4.591 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccccc1F ZINC000033266248 570521734 /nfs/dbraw/zinc/52/17/34/570521734.db2.gz WCZUDWUECDJCQB-LJQANCHMSA-N 0 0 391.377 4.534 50 0 GJAARN O=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258023 570521799 /nfs/dbraw/zinc/52/17/99/570521799.db2.gz GVRGFKVXUAJYKM-UHFFFAOYSA-N 0 0 394.478 4.860 50 0 GJAARN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccccc1Cl ZINC000008072123 570522118 /nfs/dbraw/zinc/52/21/18/570522118.db2.gz IGDVEEJAMGFHRU-UHFFFAOYSA-N 0 0 384.819 4.511 50 0 GJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C)c3)oc21 ZINC000002951366 570523252 /nfs/dbraw/zinc/52/32/52/570523252.db2.gz YRZVUZALTKNQEO-ATJXCDBQSA-N 0 0 391.452 4.691 50 0 GJAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCCCC3)co2)[C@H](C)C(C)C)cc1 ZINC000036063927 570526303 /nfs/dbraw/zinc/52/63/03/570526303.db2.gz ALXRYPQLZALUSQ-LJQANCHMSA-N 0 0 383.536 4.656 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)c2c1C ZINC000032960210 570527009 /nfs/dbraw/zinc/52/70/09/570527009.db2.gz HKIQWJRCKSYAOG-HNNXBMFYSA-N 0 0 398.894 4.657 50 0 GJAARN Cc1ccccc1OCCOc1cccc(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000002991032 570527079 /nfs/dbraw/zinc/52/70/79/570527079.db2.gz VFQPRNMBHPWRAB-OQKWZONESA-N 0 0 399.446 4.797 50 0 GJAARN Cc1ccc(NC(=O)CCc2nc3cc(Cl)ccc3n(CC(C)C)c2=O)cc1 ZINC000006670172 570527922 /nfs/dbraw/zinc/52/79/22/570527922.db2.gz BNAKYJFRUPVNRT-UHFFFAOYSA-N 0 0 397.906 4.586 50 0 GJAARN CCOc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@@H]1C)OCO3 ZINC000033701660 570528541 /nfs/dbraw/zinc/52/85/41/570528541.db2.gz LPWYMVXRDVBDOS-QQTNTEGQSA-N 0 0 395.499 4.786 50 0 GJAARN CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036073700 570528517 /nfs/dbraw/zinc/52/85/17/570528517.db2.gz LOWDZOYGXDOLRK-UHFFFAOYSA-N 0 0 391.515 4.750 50 0 GJAARN Cc1nc2cc(C)ccn2c1-c1nnc(SCc2ccc(Cl)cc2)n1C ZINC000008382937 570530125 /nfs/dbraw/zinc/53/01/25/570530125.db2.gz XYBMFSKPEQVPTA-UHFFFAOYSA-N 0 0 383.908 4.692 50 0 GJAARN COc1ccc(Cl)c2sc(NC(=O)c3ccc4ncsc4c3)nc21 ZINC000005256618 570531298 /nfs/dbraw/zinc/53/12/98/570531298.db2.gz JCBZRLOGZMYFPX-UHFFFAOYSA-N 0 0 375.862 4.820 50 0 GJAARN Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)n(CC(C)C)c1C ZINC000005262889 570531672 /nfs/dbraw/zinc/53/16/72/570531672.db2.gz MRNWBOMUVKWLGK-GFCCVEGCSA-N 0 0 385.455 4.693 50 0 GJAARN O=C(NC1CCCC1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747423 570531834 /nfs/dbraw/zinc/53/18/34/570531834.db2.gz LRXQGAOHBIMSOT-OAHLLOKOSA-N 0 0 394.397 4.545 50 0 GJAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2ccccc2Cl)n1 ZINC000064748027 570532749 /nfs/dbraw/zinc/53/27/49/570532749.db2.gz OHGDEZGWTYZUFX-UHFFFAOYSA-N 0 0 395.890 4.721 50 0 GJAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000008499282 570532842 /nfs/dbraw/zinc/53/28/42/570532842.db2.gz KCYXBAYADBJTCT-UHFFFAOYSA-N 0 0 382.504 4.530 50 0 GJAARN Cc1ccc(C(=O)N(Cc2nccn2Cc2ccc(F)c(F)c2)CC(C)C)cc1 ZINC000006688967 570533679 /nfs/dbraw/zinc/53/36/79/570533679.db2.gz SSCUYDMTXUQXBU-UHFFFAOYSA-N 0 0 397.469 4.816 50 0 GJAARN CCC(=O)Nc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)nc1 ZINC000064754538 570533855 /nfs/dbraw/zinc/53/38/55/570533855.db2.gz YQYQRVFRXLXQLL-UHFFFAOYSA-N 0 0 377.419 4.797 50 0 GJAARN CC(C)NC(=O)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000006689289 570533999 /nfs/dbraw/zinc/53/39/99/570533999.db2.gz VBEWMRISQUFHGD-UHFFFAOYSA-N 0 0 383.323 4.567 50 0 GJAARN COc1ccc(Br)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000001218352 570535830 /nfs/dbraw/zinc/53/58/30/570535830.db2.gz OZZCPYKIJZNVFX-UHFFFAOYSA-N 0 0 390.155 4.609 50 0 GJAARN O=C(c1ccc(Cl)cc1)N(Cc1nccn1Cc1cccc(F)c1)C1CC1 ZINC000006690804 570537895 /nfs/dbraw/zinc/53/78/95/570537895.db2.gz QSCFFCQUZWNIOY-UHFFFAOYSA-N 0 0 383.854 4.529 50 0 GJAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(C)cc3)=NO2)C(=O)CC(C)C)c1 ZINC000006695008 570538599 /nfs/dbraw/zinc/53/85/99/570538599.db2.gz KATWDEOZABBHMH-QFIPXVFZSA-N 0 0 394.515 4.572 50 0 GJAARN COc1ccc(Br)cc1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000004803422 570540054 /nfs/dbraw/zinc/54/00/54/570540054.db2.gz SAXCZROTHMEMSY-UHFFFAOYSA-N 0 0 388.305 4.700 50 0 GJAARN COc1ccc(/C=C(/C(=O)NCCc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000004819087 570540561 /nfs/dbraw/zinc/54/05/61/570540561.db2.gz NPKPHADPHJGQDB-HKOYGPOVSA-N 0 0 387.479 4.603 50 0 GJAARN COc1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1NC(=O)C(C)C ZINC000006357765 570541294 /nfs/dbraw/zinc/54/12/94/570541294.db2.gz NZFIWZOTYRJDGP-UHFFFAOYSA-N 0 0 392.455 4.704 50 0 GJAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccco3)C3CC3)cs2)cc1C ZINC000036106989 570542318 /nfs/dbraw/zinc/54/23/18/570542318.db2.gz PKQIROUMMJYQRI-UHFFFAOYSA-N 0 0 382.485 4.737 50 0 GJAARN Cc1cccc(OCc2nc(CN(C(=O)c3ccccc3)C3CC3)cs2)c1 ZINC000036106508 570542415 /nfs/dbraw/zinc/54/24/15/570542415.db2.gz FWUFLGFQRKXBBG-UHFFFAOYSA-N 0 0 378.497 4.835 50 0 GJAARN Cc1ccccc1OCc1nc(CN(CC(C)C)C(=O)NC(C)C)cs1 ZINC000036115237 570543612 /nfs/dbraw/zinc/54/36/12/570543612.db2.gz FKVHCCLOXSXORU-UHFFFAOYSA-N 0 0 375.538 4.607 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cnc3ccccc3c2)cc1OC ZINC000193164192 570543730 /nfs/dbraw/zinc/54/37/30/570543730.db2.gz ZUYGWKOHVHPLQA-LJQANCHMSA-N 0 0 377.444 4.621 50 0 GJAARN CC(C)(C)C(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000006704683 570544540 /nfs/dbraw/zinc/54/45/40/570544540.db2.gz PZJGGAZOWTUTOS-SFHVURJKSA-N 0 0 390.455 4.728 50 0 GJAARN CCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000006705010 570544754 /nfs/dbraw/zinc/54/47/54/570544754.db2.gz UIYOGTAOAIQHOV-SFHVURJKSA-N 0 0 394.418 4.833 50 0 GJAARN CCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000006704990 570544822 /nfs/dbraw/zinc/54/48/22/570544822.db2.gz GYYKXUYLBNRWJR-GOSISDBHSA-N 0 0 380.488 4.623 50 0 GJAARN O=C(Nc1nnc(SCc2cc(F)ccc2F)s1)c1ccccc1F ZINC000006705633 570545294 /nfs/dbraw/zinc/54/52/94/570545294.db2.gz YOPCXOAFFMTZHM-UHFFFAOYSA-N 0 0 381.404 4.500 50 0 GJAARN CCC(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000036124445 570545592 /nfs/dbraw/zinc/54/55/92/570545592.db2.gz IHIDSKLCBUXRKL-UHFFFAOYSA-N 0 0 385.316 4.930 50 0 GJAARN CCC(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)CC(C)C ZINC000006709212 570546042 /nfs/dbraw/zinc/54/60/42/570546042.db2.gz UPFSGNNGKAURKF-UHFFFAOYSA-N 0 0 375.557 4.522 50 0 GJAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)CC(C)(C)C)no1 ZINC000034922217 570547648 /nfs/dbraw/zinc/54/76/48/570547648.db2.gz NBLUJOBZBDGCHU-UHFFFAOYSA-N 0 0 382.460 4.908 50 0 GJAARN O=c1c2ccccc2nc(-c2ccccc2)n1CCc1c[nH]c2ccc(F)cc12 ZINC000005275051 570547888 /nfs/dbraw/zinc/54/78/88/570547888.db2.gz UYRKKUKUBQAJAF-UHFFFAOYSA-N 0 0 383.426 4.927 50 0 GJAARN CC(C)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1 ZINC000005304404 570550546 /nfs/dbraw/zinc/55/05/46/570550546.db2.gz QZXMERKKPDMVAJ-UHFFFAOYSA-N 0 0 397.478 4.821 50 0 GJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C1CC1 ZINC000006722132 570550677 /nfs/dbraw/zinc/55/06/77/570550677.db2.gz APWMJLQPTPLKSA-UHFFFAOYSA-N 0 0 399.579 4.809 50 0 GJAARN Fc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCO4)o2)cc1 ZINC000005315936 570552523 /nfs/dbraw/zinc/55/25/23/570552523.db2.gz ILWWHQWIKBPQRY-UHFFFAOYSA-N 0 0 378.812 4.593 50 0 GJAARN COc1ccccc1-c1nnc(SCCCOc2ccc(Cl)cc2)n1C ZINC000005319415 570553188 /nfs/dbraw/zinc/55/31/88/570553188.db2.gz PFVWKYACSJRIRQ-UHFFFAOYSA-N 0 0 389.908 4.705 50 0 GJAARN Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn32)c(Br)c1 ZINC000035616549 570556776 /nfs/dbraw/zinc/55/67/76/570556776.db2.gz FABNEFBWGWUSLP-UHFFFAOYSA-N 0 0 395.260 4.916 50 0 GJAARN CC1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1 ZINC000040142820 570557782 /nfs/dbraw/zinc/55/77/82/570557782.db2.gz BKXVPALWCFWSLK-UHFFFAOYSA-N 0 0 375.266 4.509 50 0 GJAARN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)c1 ZINC000005343504 570558035 /nfs/dbraw/zinc/55/80/35/570558035.db2.gz LPWLQBZXXCSVMZ-UHFFFAOYSA-N 0 0 375.350 4.670 50 0 GJAARN CCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OCC)cc2)c1 ZINC000006734352 570558937 /nfs/dbraw/zinc/55/89/37/570558937.db2.gz VOZGOUFUELVYSS-JOCHJYFZSA-N 0 0 398.528 4.993 50 0 GJAARN CCn1c2ccccc2c2sc(C(=O)N(C)Cc3ccccc3)cc2c1=O ZINC000006736895 570559332 /nfs/dbraw/zinc/55/93/32/570559332.db2.gz RRWIPQYYNOUAQN-UHFFFAOYSA-N 0 0 376.481 4.508 50 0 GJAARN Cc1ccc(-c2nc(CCN(C)C(=O)Nc3cccc(Cl)c3C)no2)cc1 ZINC000064839874 570560578 /nfs/dbraw/zinc/56/05/78/570560578.db2.gz HLLQDWRTVRLTEV-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN CCN(CC)c1nc2c(-c3cccc(Br)c3)nnn2c2ccccc21 ZINC000006738905 570561127 /nfs/dbraw/zinc/56/11/27/570561127.db2.gz HCFMLEVANCZGOW-UHFFFAOYSA-N 0 0 396.292 4.553 50 0 GJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NC(C)C)c(=O)oc12 ZINC000005346170 570561183 /nfs/dbraw/zinc/56/11/83/570561183.db2.gz MIWRHFBSPYOQOA-UHFFFAOYSA-N 0 0 383.488 4.911 50 0 GJAARN O=S(=O)(c1ccccc1)N(Cc1cccc(F)c1)c1cccc(Cl)c1 ZINC000036246288 570561554 /nfs/dbraw/zinc/56/15/54/570561554.db2.gz RECWYSIRYOJXRF-UHFFFAOYSA-N 0 0 375.852 4.875 50 0 GJAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1ccccc1)c1ccccn1 ZINC000005348335 570562515 /nfs/dbraw/zinc/56/25/15/570562515.db2.gz UZPUDGUFRPVODG-UHFFFAOYSA-N 0 0 390.826 4.688 50 0 GJAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1 ZINC000001175336 570563884 /nfs/dbraw/zinc/56/38/84/570563884.db2.gz QZDHENCRGDQQPQ-WUKNDPDISA-N 0 0 379.463 4.869 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000036620744 570565734 /nfs/dbraw/zinc/56/57/34/570565734.db2.gz OKUYMKNQBIRTIJ-QGZVFWFLSA-N 0 0 375.266 4.827 50 0 GJAARN Cc1cc(N2CCc3ccccc3C2)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1 ZINC000006748186 570566449 /nfs/dbraw/zinc/56/64/49/570566449.db2.gz OTEXSUWEPTUYKU-UHFFFAOYSA-N 0 0 397.526 4.960 50 0 GJAARN O=C(NCc1ccco1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000006748807 570567254 /nfs/dbraw/zinc/56/72/54/570567254.db2.gz JVPBYSRUWPBWLI-UHFFFAOYSA-N 0 0 391.427 4.878 50 0 GJAARN O=C(Cc1ccccc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858493 570567444 /nfs/dbraw/zinc/56/74/44/570567444.db2.gz PMOVJQVKZSCTHK-UHFFFAOYSA-N 0 0 391.902 4.617 50 0 biogenic GJAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3c(F)cccc3Cl)NC(=O)CCN21 ZINC000005377094 570569685 /nfs/dbraw/zinc/56/96/85/570569685.db2.gz LAOHKVKGJQBJDZ-XBFAEUMISA-N 0 0 384.882 4.815 50 0 GJAARN CCOc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)sc2C)cc1 ZINC000032981888 570570957 /nfs/dbraw/zinc/57/09/57/570570957.db2.gz MMYQTBBUPUMFJK-UHFFFAOYSA-N 0 0 386.448 4.674 50 0 GJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(CC)cc1 ZINC000006752983 570571813 /nfs/dbraw/zinc/57/18/13/570571813.db2.gz ROWZOLYLKCJFJL-JOCHJYFZSA-N 0 0 375.472 4.690 50 0 GJAARN CCOc1ccc(C(=O)N(C[C@H]2COc3ccccc3C2)C(C)C)cc1OCC ZINC000032985083 570572975 /nfs/dbraw/zinc/57/29/75/570572975.db2.gz LZNSXYUFBNBVSB-SFHVURJKSA-N 0 0 397.515 4.586 50 0 GJAARN COc1ccccc1Oc1cc(N2CCC(Cc3ccccc3)CC2)ncn1 ZINC000037623778 570573397 /nfs/dbraw/zinc/57/33/97/570573397.db2.gz LMZUBJJVCHJJDI-UHFFFAOYSA-N 0 0 375.472 4.737 50 0 GJAARN CCNC(=O)N(C)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000225432062 570573405 /nfs/dbraw/zinc/57/34/05/570573405.db2.gz MMYZBLYWQHDUNH-QGZVFWFLSA-N 0 0 397.519 4.690 50 0 GJAARN C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000004332073 570575728 /nfs/dbraw/zinc/57/57/28/570575728.db2.gz YKHWRDOSDSLPOC-SNVBAGLBSA-N 0 0 378.211 4.924 50 0 GJAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)CC(C)C)C2)cc1 ZINC000006764805 570576367 /nfs/dbraw/zinc/57/63/67/570576367.db2.gz MGTMETAJIMGPOS-NRFANRHFSA-N 0 0 382.479 4.702 50 0 GJAARN CCN(Cc1ccncc1)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000011664367 570578299 /nfs/dbraw/zinc/57/82/99/570578299.db2.gz YYDUJDRMBGWODP-UHFFFAOYSA-N 0 0 396.903 4.774 50 0 GJAARN Cc1oc(-c2cccs2)nc1CN1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000011703392 570580103 /nfs/dbraw/zinc/58/01/03/570580103.db2.gz DCZQSSWQASELPJ-FQEVSTJZSA-N 0 0 382.529 4.527 50 0 GJAARN CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)CC2=CCCCC2)CC1 ZINC000011713131 570580589 /nfs/dbraw/zinc/58/05/89/570580589.db2.gz LRJZOQQOZBHBTC-UHFFFAOYSA-N 0 0 399.531 4.518 50 0 GJAARN COc1ccccc1[C@@H](C)N(c1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000036247029 570581221 /nfs/dbraw/zinc/58/12/21/570581221.db2.gz NVPWADHGHJVLIB-MRXNPFEDSA-N 0 0 385.460 4.791 50 0 GJAARN Cc1ccc(Nc2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)cc1 ZINC000005397297 570581552 /nfs/dbraw/zinc/58/15/52/570581552.db2.gz PMUDSDFOMKSFFJ-UHFFFAOYSA-N 0 0 377.469 4.962 50 0 GJAARN Cc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000036248240 570582017 /nfs/dbraw/zinc/58/20/17/570582017.db2.gz YUMXNMZILPXJDY-UHFFFAOYSA-N 0 0 387.451 4.977 50 0 GJAARN Cc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2cccc(F)c2)cc1F ZINC000036248283 570582416 /nfs/dbraw/zinc/58/24/16/570582416.db2.gz RURQNUQYOQZAEA-UHFFFAOYSA-N 0 0 391.414 4.808 50 0 GJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C(=O)C1CC1 ZINC000036248897 570582672 /nfs/dbraw/zinc/58/26/72/570582672.db2.gz FGSKKOJCAQMFDA-UHFFFAOYSA-N 0 0 383.536 4.973 50 0 GJAARN O=C(NCCc1cscn1)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000011813684 570583337 /nfs/dbraw/zinc/58/33/37/570583337.db2.gz YDBHGCZCYAWQAH-UHFFFAOYSA-N 0 0 397.887 4.501 50 0 GJAARN CCCN(CCC(=O)NCC(C)C)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000006775373 570584786 /nfs/dbraw/zinc/58/47/86/570584786.db2.gz ZRGVYIRNEBWXCL-UHFFFAOYSA-N 0 0 388.943 4.539 50 0 GJAARN CCN(C(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000064919330 570590537 /nfs/dbraw/zinc/59/05/37/570590537.db2.gz FOLVSDWNKNVEOR-UHFFFAOYSA-N 0 0 386.430 4.740 50 0 GJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000005442765 570594850 /nfs/dbraw/zinc/59/48/50/570594850.db2.gz XZHIWXNACOTRRE-ZEQRLZLVSA-N 0 0 398.506 4.742 50 0 GJAARN CC(=O)c1ccc(OCCCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005443929 570594871 /nfs/dbraw/zinc/59/48/71/570594871.db2.gz UDZNSNIQNANZCK-OQOKOFKUSA-N 0 0 383.532 4.769 50 0 GJAARN CC(C)CN(CC(C)C)c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 ZINC000006792370 570596969 /nfs/dbraw/zinc/59/69/69/570596969.db2.gz JDXYQZBXLHFQPM-UHFFFAOYSA-N 0 0 381.933 4.954 50 0 GJAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000003216400 570598004 /nfs/dbraw/zinc/59/80/04/570598004.db2.gz LUACVDNUEAEVBI-UHFFFAOYSA-N 0 0 379.843 4.731 50 0 GJAARN Cc1nn(CC(=O)Nc2cccc(Cl)c2C)c(=O)c2c3ccccc3sc21 ZINC000006798975 570599051 /nfs/dbraw/zinc/59/90/51/570599051.db2.gz UYALACWVIBUZRA-UHFFFAOYSA-N 0 0 397.887 4.520 50 0 GJAARN Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2cccs2)c(C)c1 ZINC000005451508 570599373 /nfs/dbraw/zinc/59/93/73/570599373.db2.gz KYZSCKKPUBHCAG-QHCPKHFHSA-N 0 0 390.508 4.944 50 0 GJAARN CCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000003263789 570600381 /nfs/dbraw/zinc/60/03/81/570600381.db2.gz OLSHUCJDRUTYHM-UHFFFAOYSA-N 0 0 396.270 4.968 50 0 GJAARN O=C(CCc1nnc(C2CCCCC2)o1)N[C@@H](c1ccco1)c1ccccc1 ZINC000012049805 570600855 /nfs/dbraw/zinc/60/08/55/570600855.db2.gz FTNUSITVWCZFOA-OAQYLSRUSA-N 0 0 379.460 4.549 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cn2)cc1 ZINC000064942503 570601500 /nfs/dbraw/zinc/60/15/00/570601500.db2.gz TWDHRVLCDSKAFL-UHFFFAOYSA-N 0 0 394.496 4.599 50 0 GJAARN Cc1cccc(NC(=O)CSc2ccc(NCc3ccc(Cl)cc3)nn2)c1 ZINC000064945137 570602910 /nfs/dbraw/zinc/60/29/10/570602910.db2.gz KFIYBELKHRLDMN-UHFFFAOYSA-N 0 0 398.919 4.781 50 0 GJAARN C[C@H](NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000003297273 570603642 /nfs/dbraw/zinc/60/36/42/570603642.db2.gz KYXMDSYBKPJZCC-KRWDZBQOSA-N 0 0 375.424 4.513 50 0 GJAARN O=C([C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1)N1CCCCC1 ZINC000005472509 570604944 /nfs/dbraw/zinc/60/49/44/570604944.db2.gz HZHAXVPSKDLDOL-GOSISDBHSA-N 0 0 379.485 4.583 50 0 GJAARN O=C([O-])c1c(C[NH2+]CCc2cccs2)c2ccccc2n1Cc1ccccc1 ZINC000006803404 570605649 /nfs/dbraw/zinc/60/56/49/570605649.db2.gz HWDPENZRNXFHMR-UHFFFAOYSA-N 0 0 390.508 4.782 50 0 GJAARN O=C([O-])c1c(C[NH2+]C2CCCCC2)c2ccccc2n1Cc1ccccc1F ZINC000006803621 570605787 /nfs/dbraw/zinc/60/57/87/570605787.db2.gz UKBJPVPIGZAWEH-UHFFFAOYSA-N 0 0 380.463 4.949 50 0 GJAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Oc3c(C)cccc3C)cc2C1=O ZINC000003422519 570607079 /nfs/dbraw/zinc/60/70/79/570607079.db2.gz ZPWBRSOHIJDKME-UHFFFAOYSA-N 0 0 385.419 4.632 50 0 GJAARN Cc1ccc(OCc2cc(C(=O)N3CC[C@@H](c4ccccc4F)C3)no2)cc1C ZINC000012112280 570609134 /nfs/dbraw/zinc/60/91/34/570609134.db2.gz XYLFJBAXBCHSFN-QGZVFWFLSA-N 0 0 394.446 4.639 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000003504028 570609995 /nfs/dbraw/zinc/60/99/95/570609995.db2.gz NYMSDORSVGVVAB-UHFFFAOYSA-N 0 0 395.532 4.640 50 0 GJAARN Cc1nc2sc3c(c2c(S[C@@H](C)C(=O)N(C)c2ccccc2)n1)CCC3 ZINC000003521845 570610411 /nfs/dbraw/zinc/61/04/11/570610411.db2.gz OHNBWYWFZLKARV-LBPRGKRZSA-N 0 0 383.542 4.632 50 0 GJAARN COc1ccc(C)cc1NC(=O)CCCOc1cccc(Br)c1 ZINC000003567202 570611408 /nfs/dbraw/zinc/61/14/08/570611408.db2.gz FKSKYEYLXGCVEX-UHFFFAOYSA-N 0 0 378.266 4.564 50 0 GJAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000005485235 570612955 /nfs/dbraw/zinc/61/29/55/570612955.db2.gz LSVKKAVBCMXEEP-QGZVFWFLSA-N 0 0 399.487 4.838 50 0 GJAARN Cc1ccccc1-c1noc(COc2cc3oc(=O)cc(C)c3cc2Cl)n1 ZINC000005498083 570614255 /nfs/dbraw/zinc/61/42/55/570614255.db2.gz CFKAAWDGRNZSQW-UHFFFAOYSA-N 0 0 382.803 4.692 50 0 GJAARN CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000012137919 570614503 /nfs/dbraw/zinc/61/45/03/570614503.db2.gz BOYQEXSKOWOHRM-SFHVURJKSA-N 0 0 389.879 4.937 50 0 GJAARN Cc1c(Cl)ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1C ZINC000012138053 570614578 /nfs/dbraw/zinc/61/45/78/570614578.db2.gz CCESUHTXXKXSAC-SFHVURJKSA-N 0 0 389.879 4.532 50 0 GJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(Nc2ccc(C)cc2)n1 ZINC000064960330 570615109 /nfs/dbraw/zinc/61/51/09/570615109.db2.gz KZPRJDMAAUWXQQ-UHFFFAOYSA-N 0 0 392.390 4.653 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000169685685 570615354 /nfs/dbraw/zinc/61/53/54/570615354.db2.gz RWFBLRXAVJDUKE-CVDCTZTESA-N 0 0 390.439 4.929 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)c2cccs2)cc1OCCC ZINC000006811505 570616197 /nfs/dbraw/zinc/61/61/97/570616197.db2.gz JVPACXWEDQEMIL-UHFFFAOYSA-N 0 0 387.461 4.628 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3ccco3)C[C@@H]21 ZINC000169689920 570616216 /nfs/dbraw/zinc/61/62/16/570616216.db2.gz JKTMJVUCRNZIOJ-CVDCTZTESA-N 0 0 390.439 4.929 50 0 GJAARN Cc1cccc(Cc2cnc(N3C(=N)S[C@H](c4ccccc4)C3=O)s2)c1 ZINC000006812543 570616605 /nfs/dbraw/zinc/61/66/05/570616605.db2.gz XKRCEMUFQGJNOM-QGZVFWFLSA-N 0 0 379.510 4.798 50 0 aggregator GJAARN Cc1cc2nc3sc(C(=O)Nc4cccc(Cl)c4C)cc(=O)n3c2cc1C ZINC000033008976 570620447 /nfs/dbraw/zinc/62/04/47/570620447.db2.gz CFPVLNBXZCXOFZ-UHFFFAOYSA-N 0 0 397.887 4.740 50 0 GJAARN CCOc1ccc([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)cc1OCC ZINC000005510618 570621954 /nfs/dbraw/zinc/62/19/54/570621954.db2.gz VACCGJCRGIHCCL-CYBMUJFWSA-N 0 0 379.859 4.696 50 0 GJAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1Cl ZINC000006821499 570623679 /nfs/dbraw/zinc/62/36/79/570623679.db2.gz HYBRNGGDVNTEOD-CQSZACIVSA-N 0 0 396.965 4.763 50 0 GJAARN CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)C1=CCCC1 ZINC000006821875 570623704 /nfs/dbraw/zinc/62/37/04/570623704.db2.gz RTTLROLVQNNEKV-UHFFFAOYSA-N 0 0 394.500 4.536 50 0 GJAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000013645112 570624200 /nfs/dbraw/zinc/62/42/00/570624200.db2.gz CVDFRFHUIAQDNK-UHFFFAOYSA-N 0 0 377.831 4.812 50 0 GJAARN CCOC(=O)c1sc(Br)nc1-c1ccc(C(F)(F)F)cc1 ZINC000043220514 570626304 /nfs/dbraw/zinc/62/63/04/570626304.db2.gz GJROTGCXQSNRKG-UHFFFAOYSA-N 0 0 380.185 4.768 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3C)n2)cc1 ZINC000033012672 570627499 /nfs/dbraw/zinc/62/74/99/570627499.db2.gz RCHLDRYTJWWGIX-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCc1ccccc1 ZINC000005533049 570627916 /nfs/dbraw/zinc/62/79/16/570627916.db2.gz NDFIYZKIUDHTBA-QFIPXVFZSA-N 0 0 381.431 4.581 50 0 GJAARN Cc1ccc(Nc2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)s2)cc1 ZINC000006830449 570629192 /nfs/dbraw/zinc/62/91/92/570629192.db2.gz KKHQFCZADUXJLZ-MRXNPFEDSA-N 0 0 384.530 4.512 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1 ZINC000004548635 570630273 /nfs/dbraw/zinc/63/02/73/570630273.db2.gz 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/nfs/dbraw/zinc/70/77/96/570707796.db2.gz JUOCWADFHXBYAO-KRWDZBQOSA-N 0 0 389.515 4.689 50 0 GJAARN C[C@H](CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 ZINC000058115209 570709849 /nfs/dbraw/zinc/70/98/49/570709849.db2.gz IEKWQAVNCSKMQW-LJQANCHMSA-N 0 0 383.495 4.895 50 0 GJAARN O=C(C1CCCCC1)N1CCC[C@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148339 570710451 /nfs/dbraw/zinc/71/04/51/570710451.db2.gz PHYINDJPZGUVTN-KRWDZBQOSA-N 0 0 382.483 4.646 50 0 GJAARN O=C(Nc1ccccc1)c1cccc(CS(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000058143260 570710877 /nfs/dbraw/zinc/71/08/77/570710877.db2.gz YAQUHJPVPQCEEL-UHFFFAOYSA-N 0 0 399.899 4.707 50 0 GJAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1c(F)cccc1F ZINC000036446804 570712095 /nfs/dbraw/zinc/71/20/95/570712095.db2.gz BQSFDQVODOCHNO-IBGZPJMESA-N 0 0 390.480 4.674 50 0 GJAARN CC(C)c1ccc(CN(C)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000012787257 570712264 /nfs/dbraw/zinc/71/22/64/570712264.db2.gz SMYZOAMTMJXHSX-UHFFFAOYSA-N 0 0 398.507 4.685 50 0 GJAARN CCCOc1c(Cl)cc(C(=O)Nc2nnc(C(C)C)s2)cc1OCC ZINC000012778638 570712496 /nfs/dbraw/zinc/71/24/96/570712496.db2.gz QAZRZESSQWVQPQ-UHFFFAOYSA-N 0 0 383.901 4.755 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1cc(C)ccc1C ZINC000006940088 570713416 /nfs/dbraw/zinc/71/34/16/570713416.db2.gz GHFFCKDLNPRTAI-UHFFFAOYSA-N 0 0 388.446 4.980 50 0 GJAARN CSc1ccccc1NC(=O)c1ccc(C)c(I)c1 ZINC000006946153 570716212 /nfs/dbraw/zinc/71/62/12/570716212.db2.gz WICCVDBXYITXJO-UHFFFAOYSA-N 0 0 383.254 4.574 50 0 GJAARN COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1OC ZINC000012796818 570716509 /nfs/dbraw/zinc/71/65/09/570716509.db2.gz KUWNZQYTODWGOG-UHFFFAOYSA-N 0 0 394.452 4.504 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000065153667 570716828 /nfs/dbraw/zinc/71/68/28/570716828.db2.gz XIJBAUVPLRRJTH-UHFFFAOYSA-N 0 0 394.434 4.661 50 0 GJAARN Cc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc1 ZINC000065153980 570717329 /nfs/dbraw/zinc/71/73/29/570717329.db2.gz ZDGLFMAEBOPVRL-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN O=C(CSc1nc2ccccc2s1)OCc1cc(-c2ccccc2)on1 ZINC000019038647 570722093 /nfs/dbraw/zinc/72/20/93/570722093.db2.gz PIHNQPSSGKHAJW-UHFFFAOYSA-N 0 0 382.466 4.787 50 0 GJAARN CCn1nc(C)c(NC(=S)Nc2ccc(Br)cc2Cl)c1C ZINC000006961213 570722234 /nfs/dbraw/zinc/72/22/34/570722234.db2.gz OZEXBNSGRMJQLA-UHFFFAOYSA-N 0 0 387.734 4.745 50 0 GJAARN CC(C)Oc1ccc(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)nn1 ZINC000065185870 570724439 /nfs/dbraw/zinc/72/44/39/570724439.db2.gz HLJXPBAHRRUCHB-UHFFFAOYSA-N 0 0 385.826 4.976 50 0 GJAARN Cc1cccc2c(SCC(=O)N3CCCCC3)nc(-c3ccccc3)nc12 ZINC000000907693 570724632 /nfs/dbraw/zinc/72/46/32/570724632.db2.gz YFRRRIBAVMVTHT-UHFFFAOYSA-N 0 0 377.513 4.710 50 0 GJAARN COc1ccc([C@H](C)NC(=O)[C@H](SCc2ccccc2)C(C)C)c(OC)c1 ZINC000058306772 570725823 /nfs/dbraw/zinc/72/58/23/570725823.db2.gz SDSDTYMSTRRWTF-HRAATJIYSA-N 0 0 387.545 4.839 50 0 GJAARN Cc1nc(-c2ccc(NC(=O)C3CC3)cc2)sc1C(=O)Nc1ccccc1 ZINC000011181081 570726892 /nfs/dbraw/zinc/72/68/92/570726892.db2.gz XPCBNBANYGTLAM-UHFFFAOYSA-N 0 0 377.469 4.719 50 0 GJAARN CC(C)[C@@H](NC(=O)Nc1cccc2ccccc21)c1nc(-c2cccnc2)no1 ZINC000058357024 570728780 /nfs/dbraw/zinc/72/87/80/570728780.db2.gz GXWKPFVONACUPC-LJQANCHMSA-N 0 0 387.443 4.804 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccco2)n1C(C)C ZINC000004736099 570729207 /nfs/dbraw/zinc/72/92/07/570729207.db2.gz ABWUUIMWCZXPIU-UHFFFAOYSA-N 0 0 390.896 4.812 50 0 GJAARN O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1 ZINC000006988850 570729835 /nfs/dbraw/zinc/72/98/35/570729835.db2.gz WGNDPNBLCKEONR-INIZCTEOSA-N 0 0 380.669 4.501 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1cc3ccccc3o1)c2=O ZINC000000939015 570730756 /nfs/dbraw/zinc/73/07/56/570730756.db2.gz NBOBCRQLUIFNQV-CYBMUJFWSA-N 0 0 378.380 4.537 50 0 biogenic GJAARN O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1Br ZINC000000939669 570731201 /nfs/dbraw/zinc/73/12/01/570731201.db2.gz JKTZPHUPNBGZLN-RMKNXTFCSA-N 0 0 382.051 4.830 50 0 GJAARN COc1ccc(Br)cc1CN(C)C(=O)c1cccc2ccccc21 ZINC000006993523 570732596 /nfs/dbraw/zinc/73/25/96/570732596.db2.gz YDCOKBYUZOFWDJ-UHFFFAOYSA-N 0 0 384.273 4.883 50 0 GJAARN O=C(CCc1conc1-c1cccc(F)c1)NCc1ccc(C(F)(F)F)cc1 ZINC000065213523 570733908 /nfs/dbraw/zinc/73/39/08/570733908.db2.gz OQAZAISMFDOLKA-UHFFFAOYSA-N 0 0 392.352 4.749 50 0 GJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3F)o2)c(C)c1 ZINC000012980686 570735980 /nfs/dbraw/zinc/73/59/80/570735980.db2.gz RRLYOZKMCCHESI-UHFFFAOYSA-N 0 0 394.446 4.722 50 0 GJAARN CN(C(=O)c1ccc(-c2ccccn2)[nH]c1=O)c1ccc(Oc2ccccc2)cc1 ZINC000058881928 570736484 /nfs/dbraw/zinc/73/64/84/570736484.db2.gz NTXKAXZBQAWUIA-UHFFFAOYSA-N 0 0 397.434 4.506 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 ZINC000012993291 570738895 /nfs/dbraw/zinc/73/88/95/570738895.db2.gz XCPJSYITEOHYBE-UHFFFAOYSA-N 0 0 390.487 4.713 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000059746073 570739435 /nfs/dbraw/zinc/73/94/35/570739435.db2.gz IVLXMXYEEYVLET-AEFFLSMTSA-N 0 0 382.479 4.830 50 0 GJAARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)N(C)Cc1cccc(F)c1 ZINC000012997525 570739965 /nfs/dbraw/zinc/73/99/65/570739965.db2.gz JETZGAWSIHILJX-UHFFFAOYSA-N 0 0 384.476 4.750 50 0 GJAARN C[C@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000032687951 570740698 /nfs/dbraw/zinc/74/06/98/570740698.db2.gz UAGIKDGRBFACCQ-ZDUSSCGKSA-N 0 0 377.893 4.591 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000000976501 570741661 /nfs/dbraw/zinc/74/16/61/570741661.db2.gz QQSKRIPDWPVODG-QGZVFWFLSA-N 0 0 390.270 4.568 50 0 GJAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cc(F)ccc1F ZINC000007014640 570742268 /nfs/dbraw/zinc/74/22/68/570742268.db2.gz CAKZCVFEKLVXOA-UHFFFAOYSA-N 0 0 399.777 4.768 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585148221 570742360 /nfs/dbraw/zinc/74/23/60/570742360.db2.gz SCRDTLCONHUKRM-IBGZPJMESA-N 0 0 399.874 4.607 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013058381 570744156 /nfs/dbraw/zinc/74/41/56/570744156.db2.gz UDTOISRLGPLELZ-LBPRGKRZSA-N 0 0 379.287 4.655 50 0 GJAARN COc1ccc(C2=NNC(=Nc3ccc(Cl)c(Cl)c3)SC2)cc1OC ZINC000013063386 570744591 /nfs/dbraw/zinc/74/45/91/570744591.db2.gz JJTSJVYHKSVXLT-UHFFFAOYSA-N 0 0 396.299 4.930 50 0 GJAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)N1CCC[C@H](C)C1 ZINC000065240963 570744995 /nfs/dbraw/zinc/74/49/95/570744995.db2.gz XKUGCEXLUGDBQG-AWEZNQCLSA-N 0 0 382.533 4.921 50 0 GJAARN Cc1ccccc1[C@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000013071620 570745010 /nfs/dbraw/zinc/74/50/10/570745010.db2.gz HYZGASFQIMKVHW-IBGZPJMESA-N 0 0 399.494 4.801 50 0 GJAARN C[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1F ZINC000013122497 570747362 /nfs/dbraw/zinc/74/73/62/570747362.db2.gz SCHCVAYLURUHGR-CJTWTEFWSA-N 0 0 389.430 4.707 50 0 GJAARN CCc1ccccc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000033064119 570749354 /nfs/dbraw/zinc/74/93/54/570749354.db2.gz OVMBWEARBKPGDR-UHFFFAOYSA-N 0 0 380.513 4.579 50 0 GJAARN COc1cc2nc(SCc3nnc(C)o3)cc(-c3ccccc3)c2c(OC)c1 ZINC000007040289 570750312 /nfs/dbraw/zinc/75/03/12/570750312.db2.gz GQQVTHNYDYXNLV-UHFFFAOYSA-N 0 0 393.468 4.903 50 0 GJAARN CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(C(C)=O)c1 ZINC000036615831 570751617 /nfs/dbraw/zinc/75/16/17/570751617.db2.gz OIUDGCJZOAMGFX-UHFFFAOYSA-N 0 0 390.487 4.872 50 0 GJAARN CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@@H](C)C3)c2C)cn1 ZINC000063884284 570752787 /nfs/dbraw/zinc/75/27/87/570752787.db2.gz OFSPDXYADGEODR-MRXNPFEDSA-N 0 0 376.504 4.607 50 0 GJAARN Cc1cc(C(=O)Nc2nnc(-c3ccncc3)s2)sc1-c1ccccc1 ZINC000013324090 570752985 /nfs/dbraw/zinc/75/29/85/570752985.db2.gz GJWZMZSHLAZFKA-UHFFFAOYSA-N 0 0 378.482 4.889 50 0 GJAARN CCCCc1ccc(-c2csc(NC(=O)c3cccnc3)c2C(N)=O)cc1 ZINC000013328662 570753077 /nfs/dbraw/zinc/75/30/77/570753077.db2.gz OAXBHHWBEAJAAP-UHFFFAOYSA-N 0 0 379.485 4.504 50 0 GJAARN FC(F)(Cl)[C@@](F)(Cl)[C@@](F)(Br)C(F)(F)Br ZINC000064370156 570754062 /nfs/dbraw/zinc/75/40/62/570754062.db2.gz FCMYQABQAFPAEV-NHYDCYSISA-N 0 0 392.746 4.771 50 0 GJAARN COc1ccc(-c2nc(CC(=O)N3CCSc4ccccc43)cs2)cc1 ZINC000032716624 570754440 /nfs/dbraw/zinc/75/44/40/570754440.db2.gz KXXCLPAJQDRHKL-UHFFFAOYSA-N 0 0 382.510 4.500 50 0 GJAARN CCOC(=O)c1sc(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CC2)nc1C ZINC000036612120 570756876 /nfs/dbraw/zinc/75/68/76/570756876.db2.gz UTIFGEUIGYGZBX-UHFFFAOYSA-N 0 0 399.299 4.744 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1 ZINC000064894053 570757081 /nfs/dbraw/zinc/75/70/81/570757081.db2.gz AJNJLGDXJWVDPW-UHFFFAOYSA-N 0 0 396.805 4.688 50 0 GJAARN Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 ZINC000007036857 570757175 /nfs/dbraw/zinc/75/71/75/570757175.db2.gz PKBRMZAXTDJNDM-UHFFFAOYSA-N 0 0 377.469 4.564 50 0 GJAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)c1C ZINC000032718954 570758873 /nfs/dbraw/zinc/75/88/73/570758873.db2.gz XUDOFFIEYWIRRF-UHFFFAOYSA-N 0 0 396.487 4.882 50 0 GJAARN COc1ccc(-c2noc(C3(NC(=O)c4cccc(C)c4)CCCCC3)n2)cc1 ZINC000065257870 570758986 /nfs/dbraw/zinc/75/89/86/570758986.db2.gz SMKMCUOQYYWUOS-UHFFFAOYSA-N 0 0 391.471 4.643 50 0 GJAARN CCn1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c2ccccc21 ZINC000007459202 570759320 /nfs/dbraw/zinc/75/93/20/570759320.db2.gz QKMGTPMZRJDEBK-UHFFFAOYSA-N 0 0 394.475 4.571 50 0 GJAARN CN1c2ccc(NC(=O)c3ccccc3Cl)cc2Sc2ncccc2C1=O ZINC000065258433 570760201 /nfs/dbraw/zinc/76/02/01/570760201.db2.gz QAAZFYCMWZXETP-UHFFFAOYSA-N 0 0 395.871 4.729 50 0 GJAARN CC(C)N1c2ccc(NC(=O)c3cccs3)cc2Sc2ncccc2C1=O ZINC000065258550 570760425 /nfs/dbraw/zinc/76/04/25/570760425.db2.gz HFDZTIPSWHPSHF-UHFFFAOYSA-N 0 0 395.509 4.915 50 0 GJAARN COc1cc(OC)cc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)c1 ZINC000013624918 570763779 /nfs/dbraw/zinc/76/37/79/570763779.db2.gz GDZCWDYTSRHWCE-UHFFFAOYSA-N 0 0 396.450 4.553 50 0 GJAARN Cc1ccn2c(c1)nc1c2[C@@H](c2cccc(Oc3ccccc3)c2)CC(=O)NC1 ZINC000065394304 570765105 /nfs/dbraw/zinc/76/51/05/570765105.db2.gz CBGICWLTQQKCTB-HXUWFJFHSA-N 0 0 383.451 4.587 50 0 GJAARN CC(C)c1ccc(CCC(=O)Nc2cc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000013641912 570765985 /nfs/dbraw/zinc/76/59/85/570765985.db2.gz YWYBWHSSHIEANW-UHFFFAOYSA-N 0 0 378.428 4.765 50 0 GJAARN COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2)c1 ZINC000013645969 570766157 /nfs/dbraw/zinc/76/61/57/570766157.db2.gz XADGEDMVPPHNRH-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)cc1 ZINC000013647628 570766443 /nfs/dbraw/zinc/76/64/43/570766443.db2.gz GRVBIOZOTWGZSO-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN Cc1ccc2cc(CN(C(=O)c3ccccc3)c3ccccc3C)c(=O)[nH]c2c1 ZINC000013659864 570767750 /nfs/dbraw/zinc/76/77/50/570767750.db2.gz LVBFMDQVTCZDEE-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN O=C(c1ccc2nsnc2c1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206994826 570767744 /nfs/dbraw/zinc/76/77/44/570767744.db2.gz CZMGCJFKVJVASZ-QGZVFWFLSA-N 0 0 389.933 4.665 50 0 GJAARN O=C(c1cc(-c2cccnc2)on1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206997809 570768587 /nfs/dbraw/zinc/76/85/87/570768587.db2.gz GKCSTLRRRJIETJ-LJQANCHMSA-N 0 0 399.903 4.710 50 0 GJAARN O=S(=O)(/C=C/c1ccccc1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000207001320 570770442 /nfs/dbraw/zinc/77/04/42/570770442.db2.gz RATMYVBMHVPNPH-LSSBLYJVSA-N 0 0 393.961 4.821 50 0 GJAARN COc1ccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1 ZINC000021944895 570772976 /nfs/dbraw/zinc/77/29/76/570772976.db2.gz NHXVSBAMMYMGBT-UHFFFAOYSA-N 0 0 387.414 4.939 50 0 GJAARN Clc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000100834936 570776363 /nfs/dbraw/zinc/77/63/63/570776363.db2.gz YHSBPJJYYPNROD-INIZCTEOSA-N 0 0 387.668 4.750 50 0 GJAARN Cc1cc2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[nH]3)nc(C)c2cc1C ZINC000013693418 570776888 /nfs/dbraw/zinc/77/68/88/570776888.db2.gz RWLPZLBSPYHBCQ-UHFFFAOYSA-N 0 0 391.862 4.702 50 0 GJAARN COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(OC)c1OC ZINC000013713679 570778495 /nfs/dbraw/zinc/77/84/95/570778495.db2.gz KXCNIFMAXYQPCY-QFIPXVFZSA-N 0 0 387.439 4.702 50 0 GJAARN O=C(COc1ccc(Cl)cc1Br)N[C@@H](c1ccccc1)C1CC1 ZINC000011212233 570779019 /nfs/dbraw/zinc/77/90/19/570779019.db2.gz BSMDSTDQGHKSLB-SFHVURJKSA-N 0 0 394.696 4.749 50 0 GJAARN Clc1ccccc1OCc1nn2c(nnc2-c2cc3ccccc3[nH]2)s1 ZINC000013726851 570781840 /nfs/dbraw/zinc/78/18/40/570781840.db2.gz KUBVIWFNTMVJRP-UHFFFAOYSA-N 0 0 381.848 4.567 50 0 GJAARN CC(C)Cc1cc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn32)n[nH]1 ZINC000013726782 570781862 /nfs/dbraw/zinc/78/18/62/570781862.db2.gz TXNWYPOQIGLLGO-UHFFFAOYSA-N 0 0 393.303 4.748 50 0 GJAARN COc1cccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1OC ZINC000007061432 570781904 /nfs/dbraw/zinc/78/19/04/570781904.db2.gz RAGLKZUMQNLIHM-UHFFFAOYSA-N 0 0 399.487 4.746 50 0 GJAARN Cc1ccc2[nH]c(CN3CCc4onc(-c5ccc(Cl)cc5)c4C3)nc2c1 ZINC000067713063 570787416 /nfs/dbraw/zinc/78/74/16/570787416.db2.gz CIWAOBGLDGXLML-UHFFFAOYSA-N 0 0 378.863 4.738 50 0 GJAARN Cc1ccc(C(=O)N2CCc3onc(-c4cccc5ccccc54)c3C2)c(O)c1 ZINC000067772846 570790605 /nfs/dbraw/zinc/79/06/05/570790605.db2.gz NXUGFARVZSZNAP-UHFFFAOYSA-N 0 0 384.435 4.707 50 0 GJAARN Cc1nn(CC(C)C)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000007112969 570792730 /nfs/dbraw/zinc/79/27/30/570792730.db2.gz WAEVTRCPDRJVNT-FQEVSTJZSA-N 0 0 398.894 4.861 50 0 GJAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1F ZINC000010860382 570792821 /nfs/dbraw/zinc/79/28/21/570792821.db2.gz FYEPDJBRSZKIEK-UHFFFAOYSA-N 0 0 392.146 4.625 50 0 GJAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067894405 570796174 /nfs/dbraw/zinc/79/61/74/570796174.db2.gz RARJGJRIBMIFAY-GOSISDBHSA-N 0 0 382.467 4.645 50 0 GJAARN CCN(C(=O)c1csc(-c2cccc(OC)c2OC)n1)c1ccccc1C ZINC000032753833 570796523 /nfs/dbraw/zinc/79/65/23/570796523.db2.gz ABBWNUNUKOQASY-UHFFFAOYSA-N 0 0 382.485 4.802 50 0 GJAARN O=C(/C=C/c1ccc(Br)cc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000005671576 570796776 /nfs/dbraw/zinc/79/67/76/570796776.db2.gz TZRNJHVVBVBFMH-ZZXKWVIFSA-N 0 0 392.121 4.797 50 0 GJAARN Cc1ccc([C@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000032754140 570796929 /nfs/dbraw/zinc/79/69/29/570796929.db2.gz YHTRCDHGYPYMOL-OAQYLSRUSA-N 0 0 389.499 4.716 50 0 GJAARN C[C@H]1CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccccc2)O1 ZINC000063177105 570797711 /nfs/dbraw/zinc/79/77/11/570797711.db2.gz XHUSSOFEBLKTHW-GUYCJALGSA-N 0 0 396.434 4.744 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1c[nH]c2ccccc12 ZINC000005861433 570798181 /nfs/dbraw/zinc/79/81/81/570798181.db2.gz JLHUQBIHJMCBBS-HGHGUNKESA-N 0 0 385.504 4.648 50 0 GJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CCC3 ZINC000007124117 570799678 /nfs/dbraw/zinc/79/96/78/570799678.db2.gz XMXZBBAWJZWECC-CYBMUJFWSA-N 0 0 383.542 4.916 50 0 GJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-n3ccnc3)cc2)cc1 ZINC000007128375 570799842 /nfs/dbraw/zinc/79/98/42/570799842.db2.gz CHVAMZZYDWJYCX-QHCPKHFHSA-N 0 0 396.450 4.652 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 ZINC000036718699 570800835 /nfs/dbraw/zinc/80/08/35/570800835.db2.gz YCSUGQNHPHHQBU-UHFFFAOYSA-N 0 0 385.423 4.745 50 0 GJAARN CSc1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000005886119 570801357 /nfs/dbraw/zinc/80/13/57/570801357.db2.gz BIZONTZRLHRBME-UHFFFAOYSA-N 0 0 394.525 4.644 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005903060 570802722 /nfs/dbraw/zinc/80/27/22/570802722.db2.gz VWUKSHRPRGKTNH-UHFFFAOYSA-N 0 0 387.508 4.884 50 0 GJAARN O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccccc1C(F)(F)F ZINC000007141105 570804046 /nfs/dbraw/zinc/80/40/46/570804046.db2.gz FVZMGSXSTFOZGQ-UHFFFAOYSA-N 0 0 392.160 4.808 50 0 GJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000033078137 570804529 /nfs/dbraw/zinc/80/45/29/570804529.db2.gz SQQKOGGSOCZYBL-UHFFFAOYSA-N 0 0 391.450 4.520 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c(OC)c1 ZINC000005930298 570804569 /nfs/dbraw/zinc/80/45/69/570804569.db2.gz UPQRUIUPWZPQSQ-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN CCN1c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583648871 570804965 /nfs/dbraw/zinc/80/49/65/570804965.db2.gz ABUCYMXLYCJTAF-FQEVSTJZSA-N 0 0 397.906 4.693 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000032772750 570806132 /nfs/dbraw/zinc/80/61/32/570806132.db2.gz HVUHWZBDOSBXEK-MRXNPFEDSA-N 0 0 394.689 4.900 50 0 GJAARN COc1cccc(NC(=O)c2sc3nc(C)nc(N4CCCCC4)c3c2C)c1 ZINC000033084326 570806581 /nfs/dbraw/zinc/80/65/81/570806581.db2.gz AXGJIFSSGYDHLY-UHFFFAOYSA-N 0 0 396.516 4.559 50 0 GJAARN CC(C)c1ccccc1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 ZINC000005938170 570806572 /nfs/dbraw/zinc/80/65/72/570806572.db2.gz FIGQVJDIPGCDGU-LJQANCHMSA-N 0 0 378.501 4.916 50 0 GJAARN Cc1c(C(=O)NC2CCCCCC2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084344 570806820 /nfs/dbraw/zinc/80/68/20/570806820.db2.gz PWYZVRNDFPNOCQ-UHFFFAOYSA-N 0 0 386.565 4.751 50 0 GJAARN Cc1c(C(=O)NCc2ccccc2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084407 570807021 /nfs/dbraw/zinc/80/70/21/570807021.db2.gz SAZSEURWQHFCDE-UHFFFAOYSA-N 0 0 394.544 4.537 50 0 GJAARN C[C@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)[C@H]1CCCO1 ZINC000036758244 570808826 /nfs/dbraw/zinc/80/88/26/570808826.db2.gz WYVPAHPKCOCIIY-MAUKXSAKSA-N 0 0 378.497 4.774 50 0 GJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)o1 ZINC000007167315 570809179 /nfs/dbraw/zinc/80/91/79/570809179.db2.gz DMAGIXGZIZOASX-LLVKDONJSA-N 0 0 377.853 4.719 50 0 GJAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C)s1)c1ccccc1 ZINC000005974508 570811030 /nfs/dbraw/zinc/81/10/30/570811030.db2.gz ZPUODTGFVAQYGN-FQEVSTJZSA-N 0 0 395.480 4.992 50 0 GJAARN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 ZINC000005981140 570811458 /nfs/dbraw/zinc/81/14/58/570811458.db2.gz QMICBVDQVQTDHM-UHFFFAOYSA-N 0 0 382.725 4.766 50 0 GJAARN O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2c(c1)CCC2 ZINC000032779107 570812102 /nfs/dbraw/zinc/81/21/02/570812102.db2.gz VBTMZGPCIHSISE-UHFFFAOYSA-N 0 0 399.903 4.751 50 0 GJAARN O=C(Nc1ccc(F)cc1)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000101095877 570812277 /nfs/dbraw/zinc/81/22/77/570812277.db2.gz RKJFGTCRRLNRLF-UHFFFAOYSA-N 0 0 381.407 4.931 50 0 GJAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCCC1)c1ccc(F)cc1 ZINC000101096013 570812334 /nfs/dbraw/zinc/81/23/34/570812334.db2.gz POMHRXKMOXBKPL-UHFFFAOYSA-N 0 0 380.419 4.929 50 0 GJAARN Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 ZINC000007195548 570813791 /nfs/dbraw/zinc/81/37/91/570813791.db2.gz QIHKFWSIHMQQLG-XNRPHZJLSA-N 0 0 378.494 4.734 50 0 GJAARN CCOCCCNC(=O)Cc1c2ccccc2[nH]c1Sc1ccc(F)cc1 ZINC000033116253 570814116 /nfs/dbraw/zinc/81/41/16/570814116.db2.gz RDGCXKLYTJFIFD-UHFFFAOYSA-N 0 0 386.492 4.544 50 0 GJAARN Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000032795340 570815644 /nfs/dbraw/zinc/81/56/44/570815644.db2.gz YVKIOXOUFYJENN-BTYIYWSLSA-N 0 0 394.496 4.935 50 0 GJAARN COc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1OCc1ccccc1 ZINC000007215580 570816296 /nfs/dbraw/zinc/81/62/96/570816296.db2.gz NKKGGJAYYIIBBY-FQEVSTJZSA-N 0 0 389.451 4.528 50 0 GJAARN O=C(c1cc(Cl)ccc1Cl)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505525 570818049 /nfs/dbraw/zinc/81/80/49/570818049.db2.gz HDMYKZUETYCZIE-UHFFFAOYSA-N 0 0 390.266 4.634 50 0 GJAARN COc1ccc2oc(C(=O)NCCCCOc3ccc(Cl)cc3)c(C)c2c1 ZINC000032797094 570819017 /nfs/dbraw/zinc/81/90/17/570819017.db2.gz QJXZTWVYZBGUAG-UHFFFAOYSA-N 0 0 387.863 4.992 50 0 GJAARN Cc1nn(C)c2ncc(C(=O)NCc3ccc(C)cc3)c(Nc3ccc(C)cc3)c12 ZINC000033126576 570819156 /nfs/dbraw/zinc/81/91/56/570819156.db2.gz IIKBCSLXBZNWOU-UHFFFAOYSA-N 0 0 399.498 4.567 50 0 GJAARN CC(C)Cn1cnc2c(c1=N)[C@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000101351690 570819762 /nfs/dbraw/zinc/81/97/62/570819762.db2.gz RQDCNBCALOYSQP-GOSISDBHSA-N 0 0 381.863 4.663 50 0 GJAARN CC(C)CCNC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000033129550 570819894 /nfs/dbraw/zinc/81/98/94/570819894.db2.gz ICQWCYFLSFTTHK-UHFFFAOYSA-N 0 0 388.537 4.983 50 0 GJAARN CC(=O)Nc1cccc(-n2c(S[C@@H](C)c3ccccc3)nnc2C2CC2)c1 ZINC000032801734 570820258 /nfs/dbraw/zinc/82/02/58/570820258.db2.gz KUOUTAUODCOTST-AWEZNQCLSA-N 0 0 378.501 4.956 50 0 GJAARN Cc1oc(-c2ccccc2)nc1COC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000012483883 570821371 /nfs/dbraw/zinc/82/13/71/570821371.db2.gz NGJSTKRKUPKDIX-UHFFFAOYSA-N 0 0 381.815 4.823 50 0 GJAARN CSCC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1nc2ccccc2[nH]1 ZINC000012506850 570822650 /nfs/dbraw/zinc/82/26/50/570822650.db2.gz GBYNZLOKBRKTEY-DNVCBOLYSA-N 0 0 399.585 4.963 50 0 GJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cnc2ccccc2n1 ZINC000007269319 570823006 /nfs/dbraw/zinc/82/30/06/570823006.db2.gz ICPWYGXVCQHNIC-UHFFFAOYSA-N 0 0 380.860 4.583 50 0 GJAARN COc1cccc(-c2cn3cc(-c4ccc(Br)cc4)n(C)c3n2)c1 ZINC000004678160 570823526 /nfs/dbraw/zinc/82/35/26/570823526.db2.gz IHCBJWVQOPPQQA-UHFFFAOYSA-N 0 0 382.261 4.778 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1CCc1ccc(F)cc1 ZINC000007288972 570825448 /nfs/dbraw/zinc/82/54/48/570825448.db2.gz JDUKLZCUMYQTGT-UHFFFAOYSA-N 0 0 399.491 4.722 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000007279049 570825816 /nfs/dbraw/zinc/82/58/16/570825816.db2.gz WVYJBZNFFJHCFO-HSZRJFAPSA-N 0 0 384.435 4.975 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1cccs1)N1CC=C(c2ccccc2)CC1 ZINC000007291951 570826232 /nfs/dbraw/zinc/82/62/32/570826232.db2.gz VRUUZRRXBLJPCW-UHFFFAOYSA-N 0 0 392.524 4.659 50 0 GJAARN CCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(F)cc2)cc1 ZINC000033139924 570826377 /nfs/dbraw/zinc/82/63/77/570826377.db2.gz QPEYVPIMBZIRMP-UHFFFAOYSA-N 0 0 383.448 4.699 50 0 GJAARN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007306986 570827842 /nfs/dbraw/zinc/82/78/42/570827842.db2.gz VBNGMIOVFOWNOF-CYBMUJFWSA-N 0 0 392.933 4.518 50 0 GJAARN CCOc1ccc([C@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 ZINC000007317571 570828843 /nfs/dbraw/zinc/82/88/43/570828843.db2.gz QQDWIMMCLWBPKI-OAQYLSRUSA-N 0 0 394.544 4.905 50 0 GJAARN O=C(CSc1ncnc2sccc21)N[C@H](c1cccs1)c1ccccc1 ZINC000007329436 570830062 /nfs/dbraw/zinc/83/00/62/570830062.db2.gz VVSHQDZMASQUIU-KRWDZBQOSA-N 0 0 397.550 4.751 50 0 GJAARN CCc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 ZINC000004685330 570830795 /nfs/dbraw/zinc/83/07/95/570830795.db2.gz 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570834292 /nfs/dbraw/zinc/83/42/92/570834292.db2.gz ZEEFRGXNTRGEAF-QHCPKHFHSA-N 0 0 380.451 4.754 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000004689072 570834758 /nfs/dbraw/zinc/83/47/58/570834758.db2.gz MVAMHNFLTCLBSF-UHFFFAOYSA-N 0 0 383.488 4.959 50 0 GJAARN O=C(Nc1ccc(-c2nc(-c3ccccc3)co2)cc1)c1ccc2c(c1)OCO2 ZINC000033169273 570835318 /nfs/dbraw/zinc/83/53/18/570835318.db2.gz ALEBYITVNMVIIL-UHFFFAOYSA-N 0 0 384.391 4.990 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)N(C)C3CCCCC3)c(C)s2)sc1C ZINC000033169477 570838118 /nfs/dbraw/zinc/83/81/18/570838118.db2.gz KLWMYXFCJCKYIP-UHFFFAOYSA-N 0 0 384.592 4.750 50 0 GJAARN O=c1c2ccccc2nc(SCc2cccnc2)n1-c1ccc(F)c(Cl)c1 ZINC000012539385 570838314 /nfs/dbraw/zinc/83/83/14/570838314.db2.gz BSPRRLHKGATBMP-UHFFFAOYSA-N 0 0 397.862 4.866 50 0 GJAARN CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000007419707 570839292 /nfs/dbraw/zinc/83/92/92/570839292.db2.gz UNXFJPDBQCNERL-CYBMUJFWSA-N 0 0 381.303 4.851 50 0 GJAARN 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COc1ccc2c(Cl)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)sc2c1 ZINC000000675040 212172121 /nfs/dbraw/zinc/17/21/21/212172121.db2.gz XQYIBEZUVYKKGP-UHFFFAOYSA-N 0 0 388.876 4.798 50 0 GJAARN Cc1ccc(CNC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1 ZINC000000661697 212170566 /nfs/dbraw/zinc/17/05/66/212170566.db2.gz ROWGDOHNVBSFGV-UHFFFAOYSA-N 0 0 391.471 4.923 50 0 GJAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1 ZINC000000703874 212175653 /nfs/dbraw/zinc/17/56/53/212175653.db2.gz SGSCIFKCECPHPZ-SFHVURJKSA-N 0 0 385.442 4.744 50 0 GJAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000000637593 212167240 /nfs/dbraw/zinc/16/72/40/212167240.db2.gz CHQURUJKEPAPBM-PGAZUGQPSA-N 0 0 393.486 4.874 50 0 GJAARN COC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000000633026 212166959 /nfs/dbraw/zinc/16/69/59/212166959.db2.gz JHWJFEWIVZBWFO-UHFFFAOYSA-N 0 0 397.434 4.578 50 0 GJAARN CCOc1ccc(NC(=O)CSCc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000000646349 212170011 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Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)no1 ZINC000009203998 212164103 /nfs/dbraw/zinc/16/41/03/212164103.db2.gz UXYJRMSYGVHNHR-UHFFFAOYSA-N 0 0 389.436 4.590 50 0 GJAARN O=c1[nH]c(C(Cl)=Cc2cnn(-c3ccc(Cl)cc3)c2)nc2ccccc12 ZINC000097147331 212158804 /nfs/dbraw/zinc/15/88/04/212158804.db2.gz CUSNJVCSSCEIDK-CXUHLZMHSA-N 0 0 383.238 4.911 50 0 GJAARN Cc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)s1 ZINC000097003060 212158332 /nfs/dbraw/zinc/15/83/32/212158332.db2.gz RRWJRGBMSFMOLE-RIYZIHGNSA-N 0 0 393.896 4.714 50 0 GJAARN CCOC(=O)/C=C\c1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cc1 ZINC000096035574 212153132 /nfs/dbraw/zinc/15/31/32/212153132.db2.gz YFWXPIMPMNZKEM-YFHOEESVSA-N 0 0 380.831 4.717 50 0 GJAARN COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2Br)c(O)c1 ZINC000005164816 212146774 /nfs/dbraw/zinc/14/67/74/212146774.db2.gz COYBSBOVKOGNBP-UHFFFAOYSA-N 0 0 375.222 4.654 50 0 GJAARN COc1ccc(-c2c(-c3ccc(OC)cc3O)nc(C)nc2C(F)(F)F)cc1 ZINC000012478190 212150456 /nfs/dbraw/zinc/15/04/56/212150456.db2.gz VFEHLPJMPAIDSP-UHFFFAOYSA-N 0 0 390.361 4.861 50 0 GJAARN COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2)cc1O ZINC000005576222 212148658 /nfs/dbraw/zinc/14/86/58/212148658.db2.gz SDENPZLARXOFAY-UHFFFAOYSA-N 0 0 399.450 4.686 50 0 GJAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccco4)cc3c2C)cc1 ZINC000009052963 212148402 /nfs/dbraw/zinc/14/84/02/212148402.db2.gz IOEBHMQEDATDJD-UHFFFAOYSA-N 0 0 375.380 4.826 50 0 GJAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)c1 ZINC000263619557 212142747 /nfs/dbraw/zinc/14/27/47/212142747.db2.gz ZFGCZDKFIZWHDH-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 ZINC000263615562 212141513 /nfs/dbraw/zinc/14/15/13/212141513.db2.gz DAWWOGJHXWMGDV-IBGZPJMESA-N 0 0 392.846 4.833 50 0 GJAARN CCOC(=O)c1ccc(N2C[C@H]3CCCCN3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000252427946 212134866 /nfs/dbraw/zinc/13/48/66/212134866.db2.gz LGTQIXLILPASPB-NHCUHLMSSA-N 0 0 384.907 4.890 50 0 GJAARN O=C(CSc1ccc2ccccc2n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000005627342 209124634 /nfs/dbraw/zinc/12/46/34/209124634.db2.gz OXFAEVLWDHKGMS-UHFFFAOYSA-N 0 0 378.375 4.864 50 0 GJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000002130708 209118868 /nfs/dbraw/zinc/11/88/68/209118868.db2.gz UOGVUQZHAFLJIR-AYAXAGRZSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN FC(F)Sc1ccc(C2=NN3C(Cc4ccccc4)=NSC3=NC2)cc1 ZINC000005244616 209122546 /nfs/dbraw/zinc/12/25/46/209122546.db2.gz VQYXIVHYBGJKFQ-UHFFFAOYSA-N 0 0 388.468 4.680 50 0 GJAARN COc1ccc(-c2nsc(NC(=O)c3cc(C)c(F)cc3Cl)n2)cc1 ZINC000129688954 209112386 /nfs/dbraw/zinc/11/23/86/209112386.db2.gz FEWNVFVURVPGOI-UHFFFAOYSA-N 0 0 377.828 4.567 50 0 GJAARN O=c1c2cc(Br)ccc2ncn1Cc1c(Cl)cccc1Cl ZINC000004542318 206227467 /nfs/dbraw/zinc/22/74/67/206227467.db2.gz GPBMRVUYZHDIAH-UHFFFAOYSA-N 0 0 384.060 4.514 50 0 GJAARN COC(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 ZINC000005576544 206229029 /nfs/dbraw/zinc/22/90/29/206229029.db2.gz YFSJAZVHIYDTDO-UHFFFAOYSA-N 0 0 388.217 4.543 50 0 GJAARN CO[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000244950793 206280076 /nfs/dbraw/zinc/28/00/76/206280076.db2.gz FLTUOZXTHADILG-LJQANCHMSA-N 0 0 387.863 4.748 50 0 GJAARN O=C1C[C@@H](c2ccc(O)cc2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253408286 206282921 /nfs/dbraw/zinc/28/29/21/206282921.db2.gz KOSIEDCADVRVOJ-SFHVURJKSA-N 0 0 384.387 4.607 50 0 biogenic GJAARN CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000257173717 206287291 /nfs/dbraw/zinc/28/72/91/206287291.db2.gz VOGZOQZBHKOREB-RYGJVYDSSA-N 0 0 384.545 4.600 50 0 GJAARN Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 ZINC000263617262 206289571 /nfs/dbraw/zinc/28/95/71/206289571.db2.gz MZACHYGDYILPLM-SFHVURJKSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1ccc(C)n1CCCCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000263588424 206289692 /nfs/dbraw/zinc/28/96/92/206289692.db2.gz UBTQRRPEJHGNEL-NRFANRHFSA-N 0 0 378.520 4.905 50 0 GJAARN Clc1ccc([C@@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 ZINC000263617657 206289019 /nfs/dbraw/zinc/28/90/19/206289019.db2.gz OWPQIJVUBCJDOC-SFHVURJKSA-N 0 0 384.867 4.906 50 0 GJAARN CCCc1cc(=O)oc2c(C)c(OCc3cc(OC)c(OC)c(OC)c3)ccc12 ZINC000001156114 206290697 /nfs/dbraw/zinc/29/06/97/206290697.db2.gz ZNFKHNYFLZUXDC-UHFFFAOYSA-N 0 0 398.455 4.659 50 0 biogenic GJAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)OCc1ccccc1 ZINC000001447915 206290319 /nfs/dbraw/zinc/29/03/19/206290319.db2.gz UWOUHJVIBZPSPJ-UHFFFAOYSA-N 0 0 386.403 4.582 50 0 GJAARN CCC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O ZINC000001132457 206291034 /nfs/dbraw/zinc/29/10/34/206291034.db2.gz GZTRLAIFRPSJCT-UHFFFAOYSA-N 0 0 387.229 4.846 50 0 GJAARN COc1cccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)c1 ZINC000020759897 206297583 /nfs/dbraw/zinc/29/75/83/206297583.db2.gz UDIXEWUVNGKGCF-UHFFFAOYSA-N 0 0 399.446 4.821 50 0 biogenic GJAARN C[C@H]1CNC(=O)N1c1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000096316145 206300188 /nfs/dbraw/zinc/30/01/88/206300188.db2.gz VMNPABPWKSONSW-VFFGBVLKSA-N 0 0 390.270 4.563 50 0 GJAARN O=C(/C=C\c1ccsc1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000096179949 206300400 /nfs/dbraw/zinc/30/04/00/206300400.db2.gz ZZLBFXMPDAAPFB-PLNGDYQASA-N 0 0 387.302 4.590 50 0 GJAARN O=C(NCC(F)(F)F)c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000096297767 206300589 /nfs/dbraw/zinc/30/05/89/206300589.db2.gz APDGCHPFJPCUBP-ACCUITESSA-N 0 0 386.373 4.997 50 0 GJAARN Cn1cc(/C=C\C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 ZINC000096809480 206301450 /nfs/dbraw/zinc/30/14/50/206301450.db2.gz LZYAVVIXPJLWLP-DJWKRKHSSA-N 0 0 379.272 4.502 50 0 GJAARN O=C(Nc1ccccc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009071631 206307356 /nfs/dbraw/zinc/30/73/56/206307356.db2.gz INCJQMZIZJGUCZ-UHFFFAOYSA-N 0 0 383.451 4.763 50 0 GJAARN COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000000622338 206307748 /nfs/dbraw/zinc/30/77/48/206307748.db2.gz CZVVUPCMTBOGOE-UHFFFAOYSA-N 0 0 390.483 4.942 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4C)c(N)c3cc2C1 ZINC000000661935 206313192 /nfs/dbraw/zinc/31/31/92/206313192.db2.gz CHLFIBYULZWDEB-CYBMUJFWSA-N 0 0 395.528 4.963 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1C ZINC000000663987 206314055 /nfs/dbraw/zinc/31/40/55/206314055.db2.gz BRXWNTRPPHOCSB-UHFFFAOYSA-N 0 0 394.544 4.949 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000000670375 206314282 /nfs/dbraw/zinc/31/42/82/206314282.db2.gz BHGQQGOESDFXLR-NSHDSACASA-N 0 0 382.243 4.576 50 0 GJAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000000669812 206314625 /nfs/dbraw/zinc/31/46/25/206314625.db2.gz VTBATXMCMNPRRB-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000000664050 206314918 /nfs/dbraw/zinc/31/49/18/206314918.db2.gz RBIAJAHXHOYAEX-ZIAGYGMSSA-N 0 0 392.956 4.500 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 ZINC000000672852 206315622 /nfs/dbraw/zinc/31/56/22/206315622.db2.gz YXCYWGIJYNIHPW-UHFFFAOYSA-N 0 0 383.391 4.685 50 0 GJAARN CC(C)(C)NC(=O)COc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000000679425 206315893 /nfs/dbraw/zinc/31/58/93/206315893.db2.gz RKIORVQXLARCJA-UHFFFAOYSA-N 0 0 381.303 4.899 50 0 GJAARN CCc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000000693010 206317571 /nfs/dbraw/zinc/31/75/71/206317571.db2.gz ISZJCJLXAFORTL-UHFFFAOYSA-N 0 0 399.450 4.984 50 0 GJAARN O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1-c1ccccc1 ZINC000000705079 206317766 /nfs/dbraw/zinc/31/77/66/206317766.db2.gz KDTVUNPLEAFKGX-UHFFFAOYSA-N 0 0 377.241 4.815 50 0 GJAARN COC(=O)c1c(C)n(CCOc2cc(C)ccc2C(C)C)c2ccc(O)cc21 ZINC000000718967 206318598 /nfs/dbraw/zinc/31/85/98/206318598.db2.gz MSXYGABTWBGUTB-UHFFFAOYSA-N 0 0 381.472 4.953 50 0 GJAARN COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1OC ZINC000000717656 206318924 /nfs/dbraw/zinc/31/89/24/206318924.db2.gz BWOPPJMQJQVCGD-ZDUSSCGKSA-N 0 0 398.528 4.820 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)c1ncc(-c2ccc(F)cc2)o1 ZINC000009321927 206320189 /nfs/dbraw/zinc/32/01/89/206320189.db2.gz BXNPKHOOZHBUQF-UHFFFAOYSA-N 0 0 375.197 4.804 50 0 GJAARN CC1(C)Cc2nc3sc4c(ncnc4NCc4ccccc4)c3cc2CO1 ZINC000000755411 206320500 /nfs/dbraw/zinc/32/05/00/206320500.db2.gz KZYWGNRGKVCTGV-UHFFFAOYSA-N 0 0 376.485 4.703 50 0 GJAARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000759184 206320526 /nfs/dbraw/zinc/32/05/26/206320526.db2.gz KJMQJUDHLSJUIY-KRWDZBQOSA-N 0 0 397.302 4.745 50 0 GJAARN COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000000792875 206321685 /nfs/dbraw/zinc/32/16/85/206321685.db2.gz NPTVLHMKAKJQBI-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN COc1ccc(-c2csc3ncn(-c4cccc(Cl)c4)c(=O)c23)cc1OC ZINC000000798314 206321904 /nfs/dbraw/zinc/32/19/04/206321904.db2.gz LHQLDLRHQXGVDR-UHFFFAOYSA-N 0 0 398.871 4.785 50 0 GJAARN c1ccc(CSc2nnc3c(n2)O[C@@H](c2ccccn2)Nc2ccccc2-3)cc1 ZINC000000795586 206322059 /nfs/dbraw/zinc/32/20/59/206322059.db2.gz ZHKRAIURCCWPOG-FQEVSTJZSA-N 0 0 399.479 4.729 50 0 GJAARN O=C(CN1CCCCCC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000000793423 206322192 /nfs/dbraw/zinc/32/21/92/206322192.db2.gz UOLADZKUKLSGPG-UHFFFAOYSA-N 0 0 396.556 4.672 50 0 GJAARN O=C(Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccco1 ZINC000000802355 206322551 /nfs/dbraw/zinc/32/25/51/206322551.db2.gz VRFSWWXPKUQVRP-UHFFFAOYSA-N 0 0 390.317 4.683 50 0 GJAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCCCC4)c3n2)cc1 ZINC000000815317 206324421 /nfs/dbraw/zinc/32/44/21/206324421.db2.gz AZKDQWOTDJJVBM-UHFFFAOYSA-N 0 0 384.430 4.659 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccco1 ZINC000000887476 206331853 /nfs/dbraw/zinc/33/18/53/206331853.db2.gz HNCHWANAOOMCDY-UHFFFAOYSA-N 0 0 382.872 4.984 50 0 GJAARN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000157673474 206304968 /nfs/dbraw/zinc/30/49/68/206304968.db2.gz FAHHBFDCQKRPGH-UHFFFAOYSA-N 0 0 394.224 4.575 50 0 GJAARN CC(C)c1cccc2sc(N3CCN(C(=O)CCc4ccccc4)CC3)nc21 ZINC000009034594 206305314 /nfs/dbraw/zinc/30/53/14/206305314.db2.gz OKWPXXDZZDXRFZ-UHFFFAOYSA-N 0 0 393.556 4.701 50 0 GJAARN Cc1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c(C)c1 ZINC000000911074 206333472 /nfs/dbraw/zinc/33/34/72/206333472.db2.gz IPKDIPVXHDLAEQ-CQSZACIVSA-N 0 0 377.724 4.903 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(C)c1 ZINC000000936136 206334099 /nfs/dbraw/zinc/33/40/99/206334099.db2.gz JKEJCTHPPHHZPJ-UHFFFAOYSA-N 0 0 391.496 4.727 50 0 GJAARN CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000009625533 206334900 /nfs/dbraw/zinc/33/49/00/206334900.db2.gz JDNOVYLATJZMAN-UHFFFAOYSA-N 0 0 394.500 4.839 50 0 GJAARN O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000000939913 206335644 /nfs/dbraw/zinc/33/56/44/206335644.db2.gz VOHNMHSEMMHPMR-UHFFFAOYSA-N 0 0 385.609 4.568 50 0 GJAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000000941285 206336171 /nfs/dbraw/zinc/33/61/71/206336171.db2.gz NDUFJZIBUVOLAC-UHFFFAOYSA-N 0 0 381.646 4.738 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)ccc1C(C)C ZINC000000946922 206336372 /nfs/dbraw/zinc/33/63/72/206336372.db2.gz ASMPRMOXKPJIGM-UHFFFAOYSA-N 0 0 383.488 4.949 50 0 GJAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)OC1CCCCC1 ZINC000000952282 206336636 /nfs/dbraw/zinc/33/66/36/206336636.db2.gz BLFQLZXCKJDWGL-UHFFFAOYSA-N 0 0 378.424 4.715 50 0 biogenic GJAARN CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(C)cccc32)c1 ZINC000000949559 206336826 /nfs/dbraw/zinc/33/68/26/206336826.db2.gz KHISIDQXZCSNFM-UHFFFAOYSA-N 0 0 378.428 4.640 50 0 GJAARN O=C(Nc1ccccc1NC(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000000973888 206338946 /nfs/dbraw/zinc/33/89/46/206338946.db2.gz XXGFQWSLNNZPKM-UHFFFAOYSA-N 0 0 391.393 4.976 50 0 GJAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)o1 ZINC000000990827 206339549 /nfs/dbraw/zinc/33/95/49/206339549.db2.gz ZZYQZRJAEBORKT-GOSISDBHSA-N 0 0 385.213 4.823 50 0 GJAARN O=C(Oc1cccc2ccccc21)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000991724 206339986 /nfs/dbraw/zinc/33/99/86/206339986.db2.gz NIVCXFTUNNFSDN-UHFFFAOYSA-N 0 0 393.398 4.860 50 0 GJAARN COc1cc(NC(=O)c2c(C)onc2-c2ccccc2)cc(C(F)(F)F)c1 ZINC000001024250 206341844 /nfs/dbraw/zinc/34/18/44/206341844.db2.gz 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COc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)C(C)C)C2 ZINC000014988897 207039488 /nfs/dbraw/zinc/03/94/88/207039488.db2.gz PXICRLRKYYOJRQ-UHFFFAOYSA-N 0 0 381.497 4.954 50 0 GJAARN CCOc1ccc(-c2nc(CSc3nc4cccnc4[nH]3)c(C)o2)cc1OC ZINC000015679851 207055515 /nfs/dbraw/zinc/05/55/15/207055515.db2.gz NOQORQPTVKJYIQ-UHFFFAOYSA-N 0 0 396.472 4.621 50 0 GJAARN Cc1cc(C2=NNC(=Nc3ccccc3C)SC2)c(C)n1-c1nccs1 ZINC000015403856 207051794 /nfs/dbraw/zinc/05/17/94/207051794.db2.gz RSKFUUWMBUFUEL-UHFFFAOYSA-N 0 0 381.530 4.778 50 0 GJAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccccc2)cc1 ZINC000015412196 207052064 /nfs/dbraw/zinc/05/20/64/207052064.db2.gz JXCHOWLNSMTJCH-XMMPIXPASA-N 0 0 384.479 4.733 50 0 GJAARN O=C(Cc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000015640432 207053492 /nfs/dbraw/zinc/05/34/92/207053492.db2.gz PMRZCUXNVLNPTI-UHFFFAOYSA-N 0 0 384.361 4.554 50 0 GJAARN COC(=O)c1c(Nc2ccc(OC)c(OC)c2)onc1-c1ccc(Cl)cc1 ZINC000015821629 207062546 /nfs/dbraw/zinc/06/25/46/207062546.db2.gz 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/nfs/dbraw/zinc/06/05/00/207060500.db2.gz XRXNZWMCFOXABA-UHFFFAOYSA-N 0 0 388.446 4.973 50 0 GJAARN COc1ccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)cc1OC ZINC000015826108 207061954 /nfs/dbraw/zinc/06/19/54/207061954.db2.gz LRGCLQBCZKXZFF-UHFFFAOYSA-N 0 0 390.443 4.886 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2nccn2Cc2ccccc2Cl)c1 ZINC000015825447 207062087 /nfs/dbraw/zinc/06/20/87/207062087.db2.gz UFEGMVOJSKVMEK-UHFFFAOYSA-N 0 0 385.920 4.932 50 0 GJAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000016193514 207074840 /nfs/dbraw/zinc/07/48/40/207074840.db2.gz CESVFIDHJYDIMH-ULBZPVTCSA-N 0 0 379.459 4.700 50 0 GJAARN COc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)NC3=O)cc2c1 ZINC000017137741 207086282 /nfs/dbraw/zinc/08/62/82/207086282.db2.gz FUEHZFLPFAUAEI-WJDWOHSUSA-N 0 0 385.514 4.563 50 0 GJAARN Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2c(=O)n1C ZINC000016840549 207078662 /nfs/dbraw/zinc/07/86/62/207078662.db2.gz QEZUVNIHRJTTTR-UHFFFAOYSA-N 0 0 397.887 4.843 50 0 GJAARN COc1ccc(-c2cc3c(SCc4cccc(OC)c4)nccn3n2)cc1 ZINC000016842581 207079988 /nfs/dbraw/zinc/07/99/88/207079988.db2.gz NFKACERRFJYXTF-UHFFFAOYSA-N 0 0 377.469 4.706 50 0 GJAARN CC(C)(C)CC(C)(C)NC(=O)c1cc2cc(Br)ccc2oc1=N ZINC000017077522 207082362 /nfs/dbraw/zinc/08/23/62/207082362.db2.gz RPDJCHCIPCZOHW-UHFFFAOYSA-N 0 0 379.298 4.619 50 0 GJAARN Cc1cccn(C(=O)c2ccc(Cl)cc2)/c1=N/C(=O)c1ccc(Cl)cc1 ZINC000017078639 207083938 /nfs/dbraw/zinc/08/39/38/207083938.db2.gz WYXZAWSHPURRKR-PTGBLXJZSA-N 0 0 385.250 4.533 50 0 GJAARN COc1cc(/C=C/C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(OC)c1OC ZINC000017525268 207089935 /nfs/dbraw/zinc/08/99/35/207089935.db2.gz FVUAHICKUPFDHQ-BOLDSZDNSA-N 0 0 399.512 4.643 50 0 GJAARN Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000018005891 207090567 /nfs/dbraw/zinc/09/05/67/207090567.db2.gz VHLWKIYZAGDUKH-UHFFFAOYSA-N 0 0 390.414 4.744 50 0 GJAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1CCCC2 ZINC000017729286 207091037 /nfs/dbraw/zinc/09/10/37/207091037.db2.gz 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ZINC000017246510 207088392 /nfs/dbraw/zinc/08/83/92/207088392.db2.gz ZBEKBTZUTWQCBD-UHFFFAOYSA-N 0 0 388.471 4.810 50 0 GJAARN CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2)cc1 ZINC000019595478 207143219 /nfs/dbraw/zinc/14/32/19/207143219.db2.gz XPTKEXDXFMFORE-QHCPKHFHSA-N 0 0 388.540 4.771 50 0 GJAARN Cc1c(C(=O)Nc2cccc3ccccc32)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911321 207169171 /nfs/dbraw/zinc/16/91/71/207169171.db2.gz GPTNCDOOFOLXJY-UHFFFAOYSA-N 0 0 394.381 4.583 50 0 GJAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCOCC2)c1C ZINC000020192380 207181178 /nfs/dbraw/zinc/18/11/78/207181178.db2.gz AUAJXLSDIXCUHX-FQEVSTJZSA-N 0 0 396.512 4.632 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000020283749 207185444 /nfs/dbraw/zinc/18/54/44/207185444.db2.gz YNNFPMLIPVCIBZ-ZIAGYGMSSA-N 0 0 396.922 4.809 50 0 GJAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1ccccc1C(F)(F)F ZINC000020285378 207186772 /nfs/dbraw/zinc/18/67/72/207186772.db2.gz SNBSERCUFSOQBF-UHFFFAOYSA-N 0 0 394.324 4.655 50 0 GJAARN CCOc1cccc2c1Oc1nc(-c3cc(Cl)ccc3O)[nH]c(=S)c1C2 ZINC000020380514 207190321 /nfs/dbraw/zinc/19/03/21/207190321.db2.gz IVHWEAMDPWLFFN-UHFFFAOYSA-N 0 0 386.860 4.887 50 0 GJAARN Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCc1cccc(F)c1)CO3 ZINC000020479123 207195816 /nfs/dbraw/zinc/19/58/16/207195816.db2.gz VVEXEGGTTWNNQC-UHFFFAOYSA-N 0 0 387.838 4.597 50 0 GJAARN CCCOc1ccc(C(=O)Nc2nc([C@@H]3COc4ccccc4O3)cs2)cc1 ZINC000020462961 207196742 /nfs/dbraw/zinc/19/67/42/207196742.db2.gz UEBAIELJMNRJGH-IBGZPJMESA-N 0 0 396.468 4.697 50 0 GJAARN CCCN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1ccc(F)cc1 ZINC000020485057 207197199 /nfs/dbraw/zinc/19/71/99/207197199.db2.gz FSPTVNKCPXXYKY-UHFFFAOYSA-N 0 0 381.476 4.889 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)N3CCc4ccccc43)c12 ZINC000020516758 207201524 /nfs/dbraw/zinc/20/15/24/207201524.db2.gz QWMPFFPHKLRIAP-UHFFFAOYSA-N 0 0 382.467 4.549 50 0 GJAARN O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020602431 207205496 /nfs/dbraw/zinc/20/54/96/207205496.db2.gz RLTUUJAUKIOZRM-QHCPKHFHSA-N 0 0 388.442 4.548 50 0 GJAARN COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2onc(-c3ccccc3)c21 ZINC000020605861 207206138 /nfs/dbraw/zinc/20/61/38/207206138.db2.gz SOXQIGDJMBNXBW-UHFFFAOYSA-N 0 0 396.349 4.945 50 0 GJAARN CC(C)c1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cc1 ZINC000020604027 207206179 /nfs/dbraw/zinc/20/61/79/207206179.db2.gz GYXSTUCVIZLZLG-UHFFFAOYSA-N 0 0 379.407 4.800 50 0 GJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000020892185 207218133 /nfs/dbraw/zinc/21/81/33/207218133.db2.gz XVHDZVZAUKPPPB-LJQANCHMSA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000020892181 207218601 /nfs/dbraw/zinc/21/86/01/207218601.db2.gz DPGBASSAMKCTGT-GOSISDBHSA-N 0 0 387.867 4.748 50 0 GJAARN COc1ccc([C@@H]2SCC(=O)Nc3n[nH]cc32)cc1OCc1ccc(F)cc1 ZINC000020739386 207213098 /nfs/dbraw/zinc/21/30/98/207213098.db2.gz SWUSYDCSAFGXOL-IBGZPJMESA-N 0 0 399.447 4.561 50 0 GJAARN COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000020738442 207213142 /nfs/dbraw/zinc/21/31/42/207213142.db2.gz QNCPMJBPCJZYDS-LAUBAEHRSA-N 0 0 382.366 4.809 50 0 GJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(F)cc2)cc1 ZINC000020761528 207213827 /nfs/dbraw/zinc/21/38/27/207213827.db2.gz YFSLLZZQTVOQKQ-UHFFFAOYSA-N 0 0 394.446 4.843 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)no2)cc1C ZINC000021524266 207230217 /nfs/dbraw/zinc/23/02/17/207230217.db2.gz XVUZVODBHUIHQP-UHFFFAOYSA-N 0 0 376.412 4.987 50 0 GJAARN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(Cl)cc1)n2C ZINC000020934059 207221138 /nfs/dbraw/zinc/22/11/38/207221138.db2.gz FRTXAMZLGBHIOU-UHFFFAOYSA-N 0 0 381.863 4.519 50 0 GJAARN COc1cccc([C@H](CC(=O)Nc2cc(Cl)ccc2OC)n2cccc2)c1 ZINC000020998482 207222550 /nfs/dbraw/zinc/22/25/50/207222550.db2.gz QOKRAPFCXHOLOD-IBGZPJMESA-N 0 0 384.863 4.777 50 0 GJAARN COc1ccc(NC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1 ZINC000021537874 207230871 /nfs/dbraw/zinc/23/08/71/207230871.db2.gz LOZFWMSFCDKDDC-UHFFFAOYSA-N 0 0 386.455 4.582 50 0 GJAARN CSc1ccc(C[NH2+]Cc2c(C)n(-c3ccccc3)c(C)c2C(=O)[O-])cc1 ZINC000021025853 207223979 /nfs/dbraw/zinc/22/39/79/207223979.db2.gz WRRODYOUWKRNPO-UHFFFAOYSA-N 0 0 380.513 4.804 50 0 GJAARN Cc1c(C[NH2+]C[C@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025263 207224157 /nfs/dbraw/zinc/22/41/57/207224157.db2.gz KNAZDZZPMBGBBC-KRWDZBQOSA-N 0 0 376.500 4.994 50 0 GJAARN Cc1c(C[NH2+]Cc2ccc(F)cc2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024773 207224314 /nfs/dbraw/zinc/22/43/14/207224314.db2.gz PSXJLOWXJZIQNP-UHFFFAOYSA-N 0 0 386.854 4.875 50 0 GJAARN C[C@H]1CCc2c(CCNC(=O)Nc3ccc(Br)cc3)csc2C1 ZINC000021088453 207225358 /nfs/dbraw/zinc/22/53/58/207225358.db2.gz UHBXJSDUNBTIIW-LBPRGKRZSA-N 0 0 393.350 5.000 50 0 GJAARN CC(=O)N1N=C(c2ccccc2)O[C@@H]1CCCOc1ccc(Cl)cc1Cl ZINC000021091741 207225726 /nfs/dbraw/zinc/22/57/26/207225726.db2.gz RGFCPYYDQMLTJV-GOSISDBHSA-N 0 0 393.270 4.719 50 0 GJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2C)c1 ZINC000021104720 207226014 /nfs/dbraw/zinc/22/60/14/207226014.db2.gz RZDODVYCEBQBLS-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN CC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)cc1 ZINC000021117001 207227284 /nfs/dbraw/zinc/22/72/84/207227284.db2.gz OHEWRDPNKYENHU-UHFFFAOYSA-N 0 0 387.443 4.827 50 0 GJAARN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)sc2ncnc(N3CCCC3)c12 ZINC000021115891 207227550 /nfs/dbraw/zinc/22/75/50/207227550.db2.gz CAHJQYKOZLQZMD-UHFFFAOYSA-N 0 0 380.517 4.777 50 0 GJAARN Cc1cc(C)c(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c(C)c1 ZINC000021529802 207231350 /nfs/dbraw/zinc/23/13/50/207231350.db2.gz UMRJSHVZNPZKGE-UHFFFAOYSA-N 0 0 393.462 4.622 50 0 GJAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1csc(-c2ccsc2)n1 ZINC000021588246 207232273 /nfs/dbraw/zinc/23/22/73/207232273.db2.gz WOOHLSDXRYKEJT-UHFFFAOYSA-N 0 0 384.511 4.566 50 0 GJAARN Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccccc2Cl)C3)c(F)c1 ZINC000021639532 207232614 /nfs/dbraw/zinc/23/26/14/207232614.db2.gz AYMCXSYMMKBKPM-UHFFFAOYSA-N 0 0 386.833 4.710 50 0 GJAARN Cc1nc(SCc2cc(=O)oc3c(C)c(C)ccc23)n(C[C@H]2CCCO2)c1C ZINC000021568758 207233090 /nfs/dbraw/zinc/23/30/90/207233090.db2.gz NNWBEVMDNQBORK-GOSISDBHSA-N 0 0 398.528 4.694 50 0 GJAARN Cc1cc(NC(=O)N2CCn3cccc3[C@@H]2C(C)C)ccc1Br ZINC000021643533 207233969 /nfs/dbraw/zinc/23/39/69/207233969.db2.gz UFICJVWNRKKNGA-KRWDZBQOSA-N 0 0 376.298 4.804 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1c(F)cccc1F)CC(=O)N2 ZINC000021661090 207234245 /nfs/dbraw/zinc/23/42/45/207234245.db2.gz CCTYQQQXYHPRRB-LLVKDONJSA-N 0 0 396.422 4.543 50 0 GJAARN CN1c2ccc(NC(=O)c3ccccc3F)cc2Sc2ccccc2C1=O ZINC000021653093 207234281 /nfs/dbraw/zinc/23/42/81/207234281.db2.gz RHBIVPITNHFISZ-UHFFFAOYSA-N 0 0 378.428 4.819 50 0 GJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccnc2)cc1 ZINC000021715823 207234592 /nfs/dbraw/zinc/23/45/92/207234592.db2.gz NASZWNRTPPVFDZ-XMMPIXPASA-N 0 0 397.478 4.750 50 0 GJAARN COc1ccc(OC)c(CNc2ncnc3onc(-c4cccc(Cl)c4)c32)c1 ZINC000021714596 207234854 /nfs/dbraw/zinc/23/48/54/207234854.db2.gz GOKDZTOGFMAXED-UHFFFAOYSA-N 0 0 396.834 4.568 50 0 GJAARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 ZINC000021724007 207236456 /nfs/dbraw/zinc/23/64/56/207236456.db2.gz WRUPBDDHQZMJHM-UHFFFAOYSA-N 0 0 387.892 4.879 50 0 GJAARN Cc1ccccc1-c1nc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)no1 ZINC000021806649 207237890 /nfs/dbraw/zinc/23/78/90/207237890.db2.gz GPEGMFCPIGESER-AWEZNQCLSA-N 0 0 385.851 4.721 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc(N2CCCC2)n1 ZINC000021794142 207238608 /nfs/dbraw/zinc/23/86/08/207238608.db2.gz KKUVFMJLENARPG-UHFFFAOYSA-N 0 0 379.508 4.648 50 0 GJAARN COc1ccccc1-n1c(C)c(C)c2c3nc(-c4ccc(C)cc4)nn3cnc21 ZINC000021801244 207238758 /nfs/dbraw/zinc/23/87/58/207238758.db2.gz VCDBWUXFXQNDDH-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCCSc2ccccc21 ZINC000021844329 207239285 /nfs/dbraw/zinc/23/92/85/207239285.db2.gz OANJACMASLMUHN-UHFFFAOYSA-N 0 0 383.904 4.727 50 0 GJAARN Cc1ccc(S(=O)(=O)N(C)Cc2csc(-c3ccccc3Cl)n2)cc1 ZINC000022006247 207245165 /nfs/dbraw/zinc/24/51/65/207245165.db2.gz LGAYOHNKKMOTRB-UHFFFAOYSA-N 0 0 392.933 4.593 50 0 GJAARN Clc1ccc(-c2csc3ncnc(Sc4nc5ncccn5n4)c23)cc1 ZINC000022089269 207247634 /nfs/dbraw/zinc/24/76/34/207247634.db2.gz YXIAYDOBYMIWOC-UHFFFAOYSA-N 0 0 396.888 4.601 50 0 GJAARN C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccccc1F ZINC000022241847 207250514 /nfs/dbraw/zinc/25/05/14/207250514.db2.gz SKNBPRYJQNNTTH-AWEZNQCLSA-N 0 0 376.431 4.818 50 0 GJAARN CC1CCC(C(=O)N[C@H]2CCc3[nH]c4ccc(Br)cc4c3C2)CC1 ZINC000022347903 207252266 /nfs/dbraw/zinc/25/22/66/207252266.db2.gz BPELQZQQWMKPLI-PIMMBPRGSA-N 0 0 389.337 4.730 50 0 GJAARN CCC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 ZINC000022648352 207257735 /nfs/dbraw/zinc/25/77/35/207257735.db2.gz XJJDCUNGYFSOCK-QRQCRPRQSA-N 0 0 385.479 4.753 50 0 GJAARN CCCN(CCC)c1nc(-c2cccc(C(F)(F)F)c2)ncc1C(=O)OCC ZINC000022653538 207258753 /nfs/dbraw/zinc/25/87/53/207258753.db2.gz XRQDJQPSOGBYKC-UHFFFAOYSA-N 0 0 395.425 4.966 50 0 GJAARN Cc1cc(C)n(CCCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000023246349 207272102 /nfs/dbraw/zinc/27/21/02/207272102.db2.gz FDGLZKSMJXZUCT-UHFFFAOYSA-N 0 0 397.906 4.552 50 0 GJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccccc1F ZINC000023324217 207273459 /nfs/dbraw/zinc/27/34/59/207273459.db2.gz NUAVYZWGOMWFKH-UHFFFAOYSA-N 0 0 383.444 4.907 50 0 GJAARN O=C(NCc1ccoc1)c1ccc([C@H]2CCCN2Cc2ccccc2F)s1 ZINC000023367970 207275315 /nfs/dbraw/zinc/27/53/15/207275315.db2.gz RNIWONAUBOKIGA-GOSISDBHSA-N 0 0 384.476 4.747 50 0 GJAARN O=C(c1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000024001948 207285370 /nfs/dbraw/zinc/28/53/70/207285370.db2.gz WYOMSLYSUVAWAV-UHFFFAOYSA-N 0 0 395.506 4.715 50 0 GJAARN C[C@H](OC(=O)c1cc2c(cccc2F)s1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000024899342 207297883 /nfs/dbraw/zinc/29/78/83/207297883.db2.gz FJEFHANSOUZRFB-RYUDHWBXSA-N 0 0 389.423 4.602 50 0 GJAARN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000024980565 207299082 /nfs/dbraw/zinc/29/90/82/207299082.db2.gz GUTJSNIWSQKVPU-UHFFFAOYSA-N 0 0 395.455 4.934 50 0 GJAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C ZINC000024218235 207289247 /nfs/dbraw/zinc/28/92/47/207289247.db2.gz JEXONCRJKIZKJZ-ZDUSSCGKSA-N 0 0 380.444 4.530 50 0 GJAARN CSc1ccc(Cl)c(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 ZINC000024226410 207289703 /nfs/dbraw/zinc/28/97/03/207289703.db2.gz AJNDBFVJBXZYCJ-UHFFFAOYSA-N 0 0 385.920 4.579 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cncc(Br)c2)cc1 ZINC000024392256 207291008 /nfs/dbraw/zinc/29/10/08/207291008.db2.gz IHQOLURABFLJGS-SFHVURJKSA-N 0 0 389.293 4.610 50 0 GJAARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F ZINC000024562753 207292263 /nfs/dbraw/zinc/29/22/63/207292263.db2.gz IBFIYNINBCSPHU-LJQANCHMSA-N 0 0 383.854 4.531 50 0 GJAARN CCc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cnn1-c1cccc(Cl)c1 ZINC000024631203 207293556 /nfs/dbraw/zinc/29/35/56/207293556.db2.gz UKSWZWUXUPNSEW-GFCCVEGCSA-N 0 0 385.817 4.503 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000024828365 207295703 /nfs/dbraw/zinc/29/57/03/207295703.db2.gz GGZPJRAQIMVUEF-JOCHJYFZSA-N 0 0 393.849 4.804 50 0 GJAARN Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1N1CCCC1=O ZINC000038489772 207308557 /nfs/dbraw/zinc/30/85/57/207308557.db2.gz VRCHEAFPECIBAM-UHFFFAOYSA-N 0 0 377.366 4.785 50 0 GJAARN CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C ZINC000038545660 207308742 /nfs/dbraw/zinc/30/87/42/207308742.db2.gz FCPKYEAPHJRRQX-IBMWBZEQSA-N 0 0 385.548 4.987 50 0 biogenic GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)Nc1ccccc1C(F)(F)F ZINC000038489822 207309320 /nfs/dbraw/zinc/30/93/20/207309320.db2.gz WZYZTGOKOKASGP-UHFFFAOYSA-N 0 0 389.377 4.649 50 0 GJAARN COc1ccc(CN(C(=O)c2cc(Cl)ccc2Cl)C2CC2)c(OC)c1 ZINC000025292001 207302845 /nfs/dbraw/zinc/30/28/45/207302845.db2.gz LKEXKNRHVIRQQN-UHFFFAOYSA-N 0 0 380.271 4.815 50 0 GJAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnn(-c2ccccc2)c1C1CC1)CC3 ZINC000025547985 207303828 /nfs/dbraw/zinc/30/38/28/207303828.db2.gz PGJFQUCGDGJKFB-UHFFFAOYSA-N 0 0 396.494 4.738 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000026765207 207319794 /nfs/dbraw/zinc/31/97/94/207319794.db2.gz VFSIHZSFYJUJHM-UHFFFAOYSA-N 0 0 388.496 4.794 50 0 GJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)on1 ZINC000026931585 207321169 /nfs/dbraw/zinc/32/11/69/207321169.db2.gz KFUAGRUMPMFIOP-UHFFFAOYSA-N 0 0 380.322 4.995 50 0 GJAARN Fc1cc2nc(SCCCc3nc(-c4cccs4)no3)[nH]c2cc1F ZINC000027078894 207322207 /nfs/dbraw/zinc/32/22/07/207322207.db2.gz BAXBPVAJVTWYFM-UHFFFAOYSA-N 0 0 378.429 4.678 50 0 GJAARN COc1cccc2cc(C(=O)Nc3ccc(C)c(N4CCCCC4=O)c3)oc21 ZINC000038698980 207316623 /nfs/dbraw/zinc/31/66/23/207316623.db2.gz DVAFVWJNUQBNPV-UHFFFAOYSA-N 0 0 378.428 4.519 50 0 GJAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000026543217 207316698 /nfs/dbraw/zinc/31/66/98/207316698.db2.gz NEFOLSCLJXNOHV-UHFFFAOYSA-N 0 0 393.555 4.831 50 0 GJAARN CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1 ZINC000027778883 207330432 /nfs/dbraw/zinc/33/04/32/207330432.db2.gz WUHAAIMSPZPVFE-ZDUSSCGKSA-N 0 0 384.505 4.871 50 0 GJAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCO[C@H](c2ccccc2)C1 ZINC000027899805 207331650 /nfs/dbraw/zinc/33/16/50/207331650.db2.gz PABGWWMFLVAQEF-DEOSSOPVSA-N 0 0 395.462 4.511 50 0 GJAARN Cc1c(C(=O)N[C@H]2CCSc3c(F)cccc32)sc2nc(C)nc(C)c12 ZINC000028044773 207334651 /nfs/dbraw/zinc/33/46/51/207334651.db2.gz WSYAFQWJGJOJON-AWEZNQCLSA-N 0 0 387.505 4.723 50 0 GJAARN COc1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)cc1 ZINC000027664448 207328544 /nfs/dbraw/zinc/32/85/44/207328544.db2.gz RNCCRJKRUNCUNP-UHFFFAOYSA-N 0 0 390.483 4.826 50 0 GJAARN CCc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 ZINC000027662001 207328669 /nfs/dbraw/zinc/32/86/69/207328669.db2.gz MEGCVOGBGLYXRU-UHFFFAOYSA-N 0 0 380.875 4.910 50 0 GJAARN CSc1ccc([C@H](C)NC(=O)Cc2csc(-n3c(C)ccc3C)n2)cc1 ZINC000040133772 207344624 /nfs/dbraw/zinc/34/46/24/207344624.db2.gz ZMCYLDLCJQADCP-HNNXBMFYSA-N 0 0 385.558 4.692 50 0 GJAARN CC(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 ZINC000040138964 207345998 /nfs/dbraw/zinc/34/59/98/207345998.db2.gz UYHBYDUQOYPDOS-JOCHJYFZSA-N 0 0 398.466 4.871 50 0 GJAARN C[C@H]1CCCN(Cc2csc(NC(=O)COc3ccc4ccccc4c3)n2)C1 ZINC000028683500 207347031 /nfs/dbraw/zinc/34/70/31/207347031.db2.gz PTWINOFEHVKKKJ-INIZCTEOSA-N 0 0 395.528 4.546 50 0 GJAARN O=C(c1ccccc1)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 ZINC000028048002 207335503 /nfs/dbraw/zinc/33/55/03/207335503.db2.gz PEFSDAQKMNMEPG-NRFANRHFSA-N 0 0 376.843 4.524 50 0 GJAARN COc1cccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 ZINC000040142980 207347572 /nfs/dbraw/zinc/34/75/72/207347572.db2.gz RUOWLIQWNZCFSZ-UHFFFAOYSA-N 0 0 379.641 4.845 50 0 GJAARN CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000040103184 207339331 /nfs/dbraw/zinc/33/93/31/207339331.db2.gz DYMDTZCGOCMQAC-UHFFFAOYSA-N 0 0 385.208 4.714 50 0 GJAARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4Br)no3)ccc2O1 ZINC000028286980 207339512 /nfs/dbraw/zinc/33/95/12/207339512.db2.gz PUJWXVJNOKPPCX-NSHDSACASA-N 0 0 399.244 4.680 50 0 GJAARN O=C(CCc1ccc(Cl)cc1)NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000040106747 207340605 /nfs/dbraw/zinc/34/06/05/207340605.db2.gz QTPLGYLGHPYYFR-UHFFFAOYSA-N 0 0 392.886 4.841 50 0 GJAARN CCc1nc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2nc1CC ZINC000029256868 207357202 /nfs/dbraw/zinc/35/72/02/207357202.db2.gz JUNCPWJNYKNPSQ-UHFFFAOYSA-N 0 0 389.484 4.525 50 0 GJAARN O=C(OC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1cccc(Cl)c1 ZINC000040158878 207359484 /nfs/dbraw/zinc/35/94/84/207359484.db2.gz PODJCQWGVMRAAJ-CQSZACIVSA-N 0 0 392.282 4.703 50 0 GJAARN CCc1ccc(Cn2nccc2NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000029766177 207367000 /nfs/dbraw/zinc/36/70/00/207367000.db2.gz QVJJZSDSNXTRJD-UHFFFAOYSA-N 0 0 386.455 4.710 50 0 GJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(=O)c2ccccc2o1 ZINC000030317218 207368510 /nfs/dbraw/zinc/36/85/10/207368510.db2.gz VLNADXURRCOIPN-NSHDSACASA-N 0 0 376.239 4.933 50 0 GJAARN C[C@H](C(=O)Nc1ccc(SC2CCCC2)cc1)n1c2ccccc2oc1=O ZINC000030182415 207369242 /nfs/dbraw/zinc/36/92/42/207369242.db2.gz PMQBGGAZSVYBCB-CQSZACIVSA-N 0 0 382.485 4.829 50 0 GJAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(CSC(F)F)o3)sc2c1 ZINC000030762995 207374298 /nfs/dbraw/zinc/37/42/98/207374298.db2.gz CQYFHPYAYYVZPC-UHFFFAOYSA-N 0 0 397.428 4.556 50 0 GJAARN O=C(c1cccs1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031164919 207379343 /nfs/dbraw/zinc/37/93/43/207379343.db2.gz AGQOZHYITRQVEV-UHFFFAOYSA-N 0 0 386.517 4.574 50 0 GJAARN O=C(c1cccc(Br)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000031128503 207380717 /nfs/dbraw/zinc/38/07/17/207380717.db2.gz NARBFHAFECKTSE-AWEZNQCLSA-N 0 0 385.261 4.610 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2cccs2)o1 ZINC000031345315 207381514 /nfs/dbraw/zinc/38/15/14/207381514.db2.gz PVSWXPJBLIIRDW-UHFFFAOYSA-N 0 0 377.469 4.774 50 0 GJAARN COc1ccc(-c2nc(CSCC(=O)NC3CCCCC3)cs2)cc1 ZINC000031413229 207381586 /nfs/dbraw/zinc/38/15/86/207381586.db2.gz MPUNFJPXPQRCFI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/39/63/78/207396378.db2.gz AIFUOSOREFXTJH-UHFFFAOYSA-N 0 0 392.455 4.827 50 0 GJAARN Cc1cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)ccc1Cl ZINC000032594067 207396736 /nfs/dbraw/zinc/39/67/36/207396736.db2.gz GPNPQZOBSPGBDH-UHFFFAOYSA-N 0 0 397.862 4.595 50 0 GJAARN CCc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 ZINC000033064086 207435014 /nfs/dbraw/zinc/43/50/14/207435014.db2.gz VZCXIZQESLYVJF-UHFFFAOYSA-N 0 0 380.513 4.579 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078946 207437381 /nfs/dbraw/zinc/43/73/81/207437381.db2.gz GSEAYNVJLMPELY-UHFFFAOYSA-N 0 0 380.517 4.777 50 0 GJAARN C[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1cccnc1 ZINC000032928344 207421450 /nfs/dbraw/zinc/42/14/50/207421450.db2.gz IZFYQIDATNYXDA-ZDUSSCGKSA-N 0 0 398.260 4.522 50 0 GJAARN Cc1cccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000032950726 207423568 /nfs/dbraw/zinc/42/35/68/207423568.db2.gz ZCUWKPJRMLXJRZ-UHFFFAOYSA-N 0 0 388.446 4.973 50 0 GJAARN 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/nfs/dbraw/zinc/74/10/15/220741015.db2.gz XQMZAZDWRCUITK-UHFFFAOYSA-N 0 0 382.485 4.592 50 0 GJAARN Cc1coc2c1cc1c(C)c(CC(=O)NCc3ccc(C)cc3)c(=O)oc1c2C ZINC000004743945 220759870 /nfs/dbraw/zinc/75/98/70/220759870.db2.gz KOBSVDCUGMZPKW-UHFFFAOYSA-N 0 0 389.451 4.632 50 0 GJAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000004854498 220776920 /nfs/dbraw/zinc/77/69/20/220776920.db2.gz IBGDNOLYMMXLPK-QFIPXVFZSA-N 0 0 375.472 4.751 50 0 GJAARN C[C@@H](C(=O)NCc1ccccn1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000004909351 220789563 /nfs/dbraw/zinc/78/95/63/220789563.db2.gz DZRXKOBAQHPHMJ-HNNXBMFYSA-N 0 0 390.874 4.629 50 0 GJAARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1ccccn1 ZINC000004914747 220791456 /nfs/dbraw/zinc/79/14/56/220791456.db2.gz LJJMQQNEROBCDS-BUHFOSPRSA-N 0 0 378.435 4.741 50 0 GJAARN Cc1nn2c(nc(C)c(CCC(=O)NCCC(C)C)c2C)c1-c1ccc(F)cc1 ZINC000004935431 220794291 /nfs/dbraw/zinc/79/42/91/220794291.db2.gz XANPURLKZMSLQT-UHFFFAOYSA-N 0 0 396.510 4.556 50 0 GJAARN CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N[C@@H](C)CC)C2=O)cc1 ZINC000004932965 220794325 /nfs/dbraw/zinc/79/43/25/220794325.db2.gz NPSVFHJDPHDUBK-YIRPMMGJSA-N 0 0 394.540 4.644 50 0 GJAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CCCCC1 ZINC000005057526 220820943 /nfs/dbraw/zinc/82/09/43/220820943.db2.gz HTBAOSGRQPXDKP-UHFFFAOYSA-N 0 0 378.925 4.986 50 0 GJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NC2CCCCCC2)c1C ZINC000005054124 220820959 /nfs/dbraw/zinc/82/09/59/220820959.db2.gz PTJLHFWUVOMUAH-UHFFFAOYSA-N 0 0 396.531 4.788 50 0 GJAARN CC[C@@H](C)NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccc(C)cc2)c1C ZINC000005151949 220836529 /nfs/dbraw/zinc/83/65/29/220836529.db2.gz IFOKMBOPUGHNID-OAHLLOKOSA-N 0 0 378.520 4.501 50 0 GJAARN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccc(F)cc1 ZINC000005146523 220837107 /nfs/dbraw/zinc/83/71/07/220837107.db2.gz FOXMBUJERARWTN-UHFFFAOYSA-N 0 0 399.878 4.714 50 0 GJAARN COc1ccc(C(=O)NCC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1 ZINC000005175821 220839820 /nfs/dbraw/zinc/83/98/20/220839820.db2.gz PBPFMHHDSPIBLX-DEOSSOPVSA-N 0 0 381.516 4.651 50 0 GJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000005101451 220830137 /nfs/dbraw/zinc/83/01/37/220830137.db2.gz QJQZIGVQEFQEBV-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000005256092 220851216 /nfs/dbraw/zinc/85/12/16/220851216.db2.gz HHUHHARVLVVHFZ-HXUWFJFHSA-N 0 0 395.846 4.507 50 0 GJAARN C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 ZINC000005235442 220848329 /nfs/dbraw/zinc/84/83/29/220848329.db2.gz ILYIPBDYXZTXCT-QFYYESIMSA-N 0 0 377.669 4.992 50 0 GJAARN Cc1noc(Cc2ccccc2NC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000096097086 209007183 /nfs/dbraw/zinc/00/71/83/209007183.db2.gz LPXQSLWLZVNFEE-UHFFFAOYSA-N 0 0 376.338 4.632 50 0 GJAARN O=C(NC[C@H]1CCCO1)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000005446845 220870680 /nfs/dbraw/zinc/87/06/80/220870680.db2.gz LZENDHFABKVEAA-CQSZACIVSA-N 0 0 378.444 4.654 50 0 GJAARN COCCOc1ccc(N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000123586809 209008038 /nfs/dbraw/zinc/00/80/38/209008038.db2.gz DYAYFVOEICVKJO-GFCCVEGCSA-N 0 0 391.830 4.727 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cs2)cc1 ZINC000005971692 220910555 /nfs/dbraw/zinc/91/05/55/220910555.db2.gz FIRXDEPAXUJWRX-CYBMUJFWSA-N 0 0 397.525 4.888 50 0 GJAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000006052701 220915538 /nfs/dbraw/zinc/91/55/38/220915538.db2.gz QMLGUHIBBNSQSF-UHFFFAOYSA-N 0 0 391.267 4.520 50 0 GJAARN CCCNC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000006204450 220924143 /nfs/dbraw/zinc/92/41/43/220924143.db2.gz FNMGRJLDSZIZRU-UHFFFAOYSA-N 0 0 389.517 4.682 50 0 GJAARN O=C(Nc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096102973 209009337 /nfs/dbraw/zinc/00/93/37/209009337.db2.gz OOFPOIFABFCQIA-UHFFFAOYSA-N 0 0 389.390 4.506 50 0 GJAARN CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)nc2ccccc2c1=O ZINC000006094118 220919479 /nfs/dbraw/zinc/91/94/79/220919479.db2.gz GPXKUJBZHWBHML-CQSZACIVSA-N 0 0 391.496 4.570 50 0 GJAARN O=C(CCSc1ccccc1)NCc1ccc(C(=O)c2ccccc2)s1 ZINC000096119870 209010479 /nfs/dbraw/zinc/01/04/79/209010479.db2.gz SBTKHUMUPMEUHO-UHFFFAOYSA-N 0 0 381.522 4.778 50 0 GJAARN O=C1C[C@@H](c2ccccc2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096222242 209012102 /nfs/dbraw/zinc/01/21/02/209012102.db2.gz VMJMPYWSESIQDM-SFHVURJKSA-N 0 0 384.387 4.607 50 0 biogenic GJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4Cl)c3)C(=O)[C@H]2C1 ZINC000239309533 209017698 /nfs/dbraw/zinc/01/76/98/209017698.db2.gz HQPNSBBYHKECIY-XYPHTWIQSA-N 0 0 396.874 4.518 50 0 GJAARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2cc(F)ccc2F)s1 ZINC000098008668 209017799 /nfs/dbraw/zinc/01/77/99/209017799.db2.gz RVIVXWOUAZICGK-UKTHLTGXSA-N 0 0 377.803 4.806 50 0 GJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000238901363 209018376 /nfs/dbraw/zinc/01/83/76/209018376.db2.gz LPWFCRMUWWTFEB-UHFFFAOYSA-N 0 0 395.817 6.578 50 0 GJAARN O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000246077390 209025801 /nfs/dbraw/zinc/02/58/01/209025801.db2.gz JXDAYTOYPPGWCQ-MTNOOBJLSA-N 0 0 375.459 4.599 50 0 GJAARN O=C1C/C(=C\C2=Cc3ccccc3OC2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000006669517 220949438 /nfs/dbraw/zinc/94/94/38/220949438.db2.gz KBGHQTZTHBFXME-RIYZIHGNSA-N 0 0 386.234 4.659 50 0 GJAARN COc1ccc(C)cc1NC(=O)Nc1nnc(N(CC(C)C)CC(C)C)s1 ZINC000006793045 220962174 /nfs/dbraw/zinc/96/21/74/220962174.db2.gz PZLSNPSWOHKIJF-UHFFFAOYSA-N 0 0 391.541 4.618 50 0 GJAARN Cc1nc2ccc(NC(=O)N(C)[C@H](C)c3ccc4c(c3)OCCO4)cc2s1 ZINC000299787343 209089010 /nfs/dbraw/zinc/08/90/10/209089010.db2.gz QEHRFYMPIZSKEX-GFCCVEGCSA-N 0 0 383.473 4.601 50 0 GJAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000006870206 220973471 /nfs/dbraw/zinc/97/34/71/220973471.db2.gz JZZNXGQOIDCVMM-SFHVURJKSA-N 0 0 390.405 4.637 50 0 GJAARN CCc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)c2cc3oc(C)cc3n21 ZINC000006894256 220976226 /nfs/dbraw/zinc/97/62/26/220976226.db2.gz ORLDIPSGYSCBBD-UHFFFAOYSA-N 0 0 394.500 4.694 50 0 GJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1 ZINC000006933456 220978349 /nfs/dbraw/zinc/97/83/49/220978349.db2.gz XSDMQIJGGNKULN-DEOSSOPVSA-N 0 0 395.462 4.660 50 0 GJAARN CCc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000006940199 220979619 /nfs/dbraw/zinc/97/96/19/220979619.db2.gz URDWUSNTGVJQTB-UHFFFAOYSA-N 0 0 388.446 4.925 50 0 GJAARN CCCCN1CN(CCSc2ccc(C)cc2)Cn2c3ccccc3nc21 ZINC000007699077 221006954 /nfs/dbraw/zinc/00/69/54/221006954.db2.gz YFGJJEYPKFPFRF-UHFFFAOYSA-N 0 0 380.561 4.974 50 0 GJAARN CCc1ccc(-c2noc(CN3CCC[C@H]3c3cc(OC)ccc3OC)n2)cc1 ZINC000007718693 221008174 /nfs/dbraw/zinc/00/81/74/221008174.db2.gz NDSLCVGAUCLPLO-FQEVSTJZSA-N 0 0 393.487 4.653 50 0 GJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000007720244 221008199 /nfs/dbraw/zinc/00/81/99/221008199.db2.gz VTOFRZPHBHFWSC-UHFFFAOYSA-N 0 0 383.879 4.960 50 0 GJAARN CCN(C(=O)c1cncn1-c1ccc(F)cc1)c1nc2c(cccc2C)s1 ZINC000007736372 221009198 /nfs/dbraw/zinc/00/91/98/221009198.db2.gz PZPUFMNNQZYMSY-UHFFFAOYSA-N 0 0 380.448 4.596 50 0 GJAARN Cc1cc(SCC(=O)Nc2ccnn2C(C)C)c(C)cc1Br ZINC000007735777 221009496 /nfs/dbraw/zinc/00/94/96/221009496.db2.gz JQRZAHNAEVOHFV-UHFFFAOYSA-N 0 0 382.327 4.574 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3ccc(OC(F)F)c(OC)c3)sc2c1 ZINC000007768098 221009707 /nfs/dbraw/zinc/00/97/07/221009707.db2.gz BEFUVNAHUHAVJU-UHFFFAOYSA-N 0 0 394.399 4.557 50 0 GJAARN O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@H]1CCCO1 ZINC000007758275 221010037 /nfs/dbraw/zinc/01/00/37/221010037.db2.gz TXFRFWPKGBQMNN-MRXNPFEDSA-N 0 0 378.291 4.718 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2nc3c(s2)CCCC3)s1 ZINC000007782423 221010913 /nfs/dbraw/zinc/01/09/13/221010913.db2.gz RWMIIYPGNDSALD-UHFFFAOYSA-N 0 0 387.505 4.774 50 0 GJAARN COc1ccc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000007995017 221022620 /nfs/dbraw/zinc/02/26/20/221022620.db2.gz VKOKIECXDLALOY-UHFFFAOYSA-N 0 0 397.434 4.777 50 0 GJAARN CCCOC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000007995665 221023013 /nfs/dbraw/zinc/02/30/13/221023013.db2.gz XMWDASPKQUHCGN-UHFFFAOYSA-N 0 0 380.469 4.558 50 0 GJAARN COc1ccc2oc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c(C)c2c1 ZINC000008062697 221024431 /nfs/dbraw/zinc/02/44/31/221024431.db2.gz DZMFVOJSIPXTJX-MRXNPFEDSA-N 0 0 385.485 4.633 50 0 GJAARN COC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1C ZINC000008042069 221024684 /nfs/dbraw/zinc/02/46/84/221024684.db2.gz CYZAXKAWAUHTDG-UHFFFAOYSA-N 0 0 395.484 4.557 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)C3CC3)c2)sc1C(=O)Nc1ccccc1 ZINC000008042057 221025260 /nfs/dbraw/zinc/02/52/60/221025260.db2.gz BZOZDUIUJMQTDN-UHFFFAOYSA-N 0 0 377.469 4.719 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(OCc3ccccc3)cc2)c1C ZINC000008067202 221025921 /nfs/dbraw/zinc/02/59/21/221025921.db2.gz CHWTWNPCUFOHDG-UHFFFAOYSA-N 0 0 377.440 4.675 50 0 GJAARN S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2cccnc2)n1C1CC1 ZINC000008105983 221026927 /nfs/dbraw/zinc/02/69/27/221026927.db2.gz XILFVOFFTJNYMW-UHFFFAOYSA-N 0 0 389.528 4.558 50 0 GJAARN CCc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000008102749 221027288 /nfs/dbraw/zinc/02/72/88/221027288.db2.gz VUEHNWIVRGRHRL-QGZVFWFLSA-N 0 0 380.513 4.644 50 0 GJAARN Cc1cnc(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)s1 ZINC000008133281 221028068 /nfs/dbraw/zinc/02/80/68/221028068.db2.gz AMBZFFGCWFUUFB-UHFFFAOYSA-N 0 0 382.514 4.780 50 0 GJAARN O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008156085 221028661 /nfs/dbraw/zinc/02/86/61/221028661.db2.gz BZAOXZDKADLPGD-SCLBCKFNSA-N 0 0 398.915 4.659 50 0 GJAARN Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000008156153 221028828 /nfs/dbraw/zinc/02/88/28/221028828.db2.gz VVXGTXJZJHLPGO-HXUWFJFHSA-N 0 0 391.492 4.783 50 0 GJAARN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008156082 221029388 /nfs/dbraw/zinc/02/93/88/221029388.db2.gz BZAOXZDKADLPGD-ACJLOTCBSA-N 0 0 398.915 4.659 50 0 GJAARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000008168049 221029399 /nfs/dbraw/zinc/02/93/99/221029399.db2.gz HHQBVIPTBLJAJY-UHFFFAOYSA-N 0 0 393.917 4.806 50 0 GJAARN CC(C)[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1cccs1 ZINC000008157288 221029549 /nfs/dbraw/zinc/02/95/49/221029549.db2.gz FCIQTLCYCURYCO-IBGZPJMESA-N 0 0 396.541 4.735 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000008186500 221030211 /nfs/dbraw/zinc/03/02/11/221030211.db2.gz VBYMDKSKXUZOJX-MRXNPFEDSA-N 0 0 388.537 4.786 50 0 GJAARN Cc1cc(C)c(NC(=O)CN(C)Cc2csc(-c3ccccc3)n2)c(C)c1 ZINC000008204056 221030360 /nfs/dbraw/zinc/03/03/60/221030360.db2.gz KZWJJFLGHCPBID-UHFFFAOYSA-N 0 0 379.529 4.806 50 0 GJAARN CCOc1ccc(-c2nc(-c3ccc(CCNC(C)=O)cc3)cs2)cc1OC ZINC000008208903 221030940 /nfs/dbraw/zinc/03/09/40/221030940.db2.gz SOYQCZITDOAKFN-UHFFFAOYSA-N 0 0 396.512 4.563 50 0 GJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccccc4[nH]3)cs2)cc1 ZINC000008216750 221031568 /nfs/dbraw/zinc/03/15/68/221031568.db2.gz LGCGBZGGLITIIO-UHFFFAOYSA-N 0 0 394.525 4.801 50 0 GJAARN O=C(COc1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008264372 221032936 /nfs/dbraw/zinc/03/29/36/221032936.db2.gz UPLKDNITKYFLGL-HNNXBMFYSA-N 0 0 386.860 4.751 50 0 GJAARN CN1C(=O)Cc2cc(-c3csc(-c4cccc(Br)c4)n3)ccc21 ZINC000008297089 221035856 /nfs/dbraw/zinc/03/58/56/221035856.db2.gz OBIFMQRGGZVENK-UHFFFAOYSA-N 0 0 385.286 4.759 50 0 GJAARN C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000008310564 221035957 /nfs/dbraw/zinc/03/59/57/221035957.db2.gz SLFBZTITJVLLGY-JTQLQIEISA-N 0 0 380.300 4.999 50 0 GJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000008312390 221036086 /nfs/dbraw/zinc/03/60/86/221036086.db2.gz VSPQGEFQTBQAFU-UHFFFAOYSA-N 0 0 383.498 4.559 50 0 GJAARN O=C(NCc1cccnc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000008394882 221039752 /nfs/dbraw/zinc/03/97/52/221039752.db2.gz ZGDDRZHMTWSLPH-UHFFFAOYSA-N 0 0 378.435 4.708 50 0 biogenic GJAARN C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008394749 221039762 /nfs/dbraw/zinc/03/97/62/221039762.db2.gz JKHYYHCSXZYXPE-NSHDSACASA-N 0 0 377.815 4.741 50 0 GJAARN Fc1ccc(OCc2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cc1 ZINC000008393338 221040023 /nfs/dbraw/zinc/04/00/23/221040023.db2.gz IUXVDPBFWNPFQC-UHFFFAOYSA-N 0 0 395.246 4.878 50 0 GJAARN Cc1cc(=O)oc2cc(OC(=O)COc3ccccc3-c3ccccc3)ccc12 ZINC000007970910 221016887 /nfs/dbraw/zinc/01/68/87/221016887.db2.gz ADBFJCQBTYEYDE-UHFFFAOYSA-N 0 0 386.403 4.753 50 0 GJAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000007987086 221019984 /nfs/dbraw/zinc/01/99/84/221019984.db2.gz PUHAWILCOVDFAH-IBGZPJMESA-N 0 0 396.537 4.750 50 0 GJAARN CCCc1cc(Nc2ccc(OCC)cc2)n2nc3nc(C)cc(C)c3c2n1 ZINC000008844002 221059887 /nfs/dbraw/zinc/05/98/87/221059887.db2.gz PUVPPTTVBUFAER-UHFFFAOYSA-N 0 0 375.476 4.989 50 0 GJAARN C/C=C/c1ccc(OCCCn2c3ccccc3nc2C(C)(C)O)c(OC)c1 ZINC000008786002 221060056 /nfs/dbraw/zinc/06/00/56/221060056.db2.gz LCIJSFNBYBUOIP-WEVVVXLNSA-N 0 0 380.488 4.775 50 0 GJAARN O=C(CSc1ccccc1C(=O)Nc1ccccc1)NCC1CCCCC1 ZINC000008850976 221060721 /nfs/dbraw/zinc/06/07/21/221060721.db2.gz YVPBZWICGCZRRI-UHFFFAOYSA-N 0 0 382.529 4.728 50 0 GJAARN O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)NCc1ccco1 ZINC000008854343 221061737 /nfs/dbraw/zinc/06/17/37/221061737.db2.gz YKQMVWWDVLCBQF-UHFFFAOYSA-N 0 0 378.906 4.541 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(NC(C)C)s1 ZINC000008855975 221061793 /nfs/dbraw/zinc/06/17/93/221061793.db2.gz DMVWPYQCHUMJAA-QWHCGFSZSA-N 0 0 378.567 4.991 50 0 GJAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O ZINC000008887411 221062954 /nfs/dbraw/zinc/06/29/54/221062954.db2.gz KOLFEUDPYXYQBJ-OAQYLSRUSA-N 0 0 398.384 4.826 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1 ZINC000008940202 221064641 /nfs/dbraw/zinc/06/46/41/221064641.db2.gz USEJWMMJAXLMRD-JNKLARPZSA-N 0 0 394.515 4.834 50 0 GJAARN Cc1nc2c(s1)c(-c1cccs1)nn(Cc1c(F)cccc1Cl)c2=O ZINC000008956072 221065524 /nfs/dbraw/zinc/06/55/24/221065524.db2.gz BVOFJDHJBJUMAP-UHFFFAOYSA-N 0 0 391.880 4.731 50 0 GJAARN CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000008493035 221042108 /nfs/dbraw/zinc/04/21/08/221042108.db2.gz VPJFXGRXNVKFFN-UHFFFAOYSA-N 0 0 380.469 4.574 50 0 GJAARN O=C1OC(c2ccccc2F)=N/C1=C/c1csc(-c2ccc(Cl)cc2)n1 ZINC000008515415 221043518 /nfs/dbraw/zinc/04/35/18/221043518.db2.gz LHFXZAFPEGWDEJ-CXUHLZMHSA-N 0 0 384.819 4.947 50 0 GJAARN COc1ccc(Br)cc1CSc1nnc(-c2ccccc2)o1 ZINC000008515244 221043883 /nfs/dbraw/zinc/04/38/83/221043883.db2.gz PJPLPTJALYDCAI-UHFFFAOYSA-N 0 0 377.263 4.800 50 0 GJAARN Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1 ZINC000008608459 221046497 /nfs/dbraw/zinc/04/64/97/221046497.db2.gz YKWUMQLAIXOGFB-UHFFFAOYSA-N 0 0 382.485 4.945 50 0 GJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000008625807 221047930 /nfs/dbraw/zinc/04/79/30/221047930.db2.gz VEDRMTUJYYIWOE-IBGZPJMESA-N 0 0 397.478 4.614 50 0 GJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(Cc1cccnc1)C3=O ZINC000008664904 221048380 /nfs/dbraw/zinc/04/83/80/221048380.db2.gz KIKUYHKLZUIQGB-OAQYLSRUSA-N 0 0 396.446 4.550 50 0 GJAARN CC[C@H](CO)Nc1ncnc2c3c(nc(-c4ccccc4)c4c3CCC4)sc21 ZINC000008673051 221049031 /nfs/dbraw/zinc/04/90/31/221049031.db2.gz FQERLCYQNHZVEB-CQSZACIVSA-N 0 0 390.512 4.578 50 0 GJAARN Cc1occc1-c1nnc(SCc2csc(Nc3ccccc3)n2)n1C ZINC000008707316 221050684 /nfs/dbraw/zinc/05/06/84/221050684.db2.gz OVRGMPQWIAHEBT-UHFFFAOYSA-N 0 0 383.502 4.876 50 0 GJAARN Cc1ccoc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000008710418 221051023 /nfs/dbraw/zinc/05/10/23/221051023.db2.gz CAPBUJYUZZDVEI-FQEVSTJZSA-N 0 0 387.483 4.697 50 0 GJAARN CCN1c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)c3cccc(c23)C1=O ZINC000008715470 221051838 /nfs/dbraw/zinc/05/18/38/221051838.db2.gz JJAAXYHAOXAARJ-UHFFFAOYSA-N 0 0 394.496 4.546 50 0 GJAARN CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2C=CCC2)c2c[nH]c3ccccc32)cc1 ZINC000008746777 221054817 /nfs/dbraw/zinc/05/48/17/221054817.db2.gz HWNQVONOMBCQJN-XMSQKQJNSA-N 0 0 387.527 4.838 50 0 GJAARN Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc12 ZINC000008764898 221056642 /nfs/dbraw/zinc/05/66/42/221056642.db2.gz RCSNXGUGUFNVGJ-UHFFFAOYSA-N 0 0 386.407 4.819 50 0 biogenic GJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3c(F)cccc3F)ccc1O2 ZINC000009135342 221071573 /nfs/dbraw/zinc/07/15/73/221071573.db2.gz SIULDVHFKRAXKH-UHFFFAOYSA-N 0 0 394.377 4.908 50 0 GJAARN C[C@@]1(CS(=O)(=O)c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1 ZINC000009142771 221071925 /nfs/dbraw/zinc/07/19/25/221071925.db2.gz NIINAVDRAWGASU-QHCPKHFHSA-N 0 0 390.508 4.534 50 0 GJAARN C[C@H](NC(=O)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000009135237 221072084 /nfs/dbraw/zinc/07/20/84/221072084.db2.gz UMDSPECINGRAIK-INIZCTEOSA-N 0 0 383.451 4.651 50 0 GJAARN COc1ccccc1NC(=O)Nc1nnc(CSc2ccc(C)cc2)s1 ZINC000009138077 221072261 /nfs/dbraw/zinc/07/22/61/221072261.db2.gz KEUKWVOYIOEURC-UHFFFAOYSA-N 0 0 386.502 4.791 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000009227195 221075163 /nfs/dbraw/zinc/07/51/63/221075163.db2.gz MXOIYRFZUSOELX-UHFFFAOYSA-N 0 0 388.870 4.723 50 0 GJAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OC ZINC000009265718 221076154 /nfs/dbraw/zinc/07/61/54/221076154.db2.gz MSXNJPFRBHHUSH-UHFFFAOYSA-N 0 0 394.471 4.956 50 0 GJAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(COc2ccc(F)cc2)o1 ZINC000009657200 221087214 /nfs/dbraw/zinc/08/72/14/221087214.db2.gz ZEAYAKGPVXEFCV-UHFFFAOYSA-N 0 0 395.415 4.769 50 0 GJAARN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000009378105 221078760 /nfs/dbraw/zinc/07/87/60/221078760.db2.gz RAQSDJPQMOZFRF-IBGZPJMESA-N 0 0 381.479 4.882 50 0 GJAARN COc1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1Cl ZINC000009420097 221080595 /nfs/dbraw/zinc/08/05/95/221080595.db2.gz PYNOEWURNZKMDP-UHFFFAOYSA-N 0 0 383.835 4.530 50 0 GJAARN O=C(Cc1csc(-c2ccccc2)n1)NCCCn1ccc2ccccc21 ZINC000009471129 221081246 /nfs/dbraw/zinc/08/12/46/221081246.db2.gz HOYODUJJBSPDAM-UHFFFAOYSA-N 0 0 375.497 4.514 50 0 GJAARN COc1ccc(C)cc1NC(=O)N1CCn2cccc2[C@H]1Cc1ccccc1 ZINC000009528237 221083533 /nfs/dbraw/zinc/08/35/33/221083533.db2.gz JHQYMSATWQHOLR-OAQYLSRUSA-N 0 0 375.472 4.637 50 0 GJAARN Cc1cccc(-c2ocnc2C(=O)Nc2ccc(Br)cc2F)c1 ZINC000009527347 221084388 /nfs/dbraw/zinc/08/43/88/221084388.db2.gz QOGOEROOJFRVRC-UHFFFAOYSA-N 0 0 375.197 4.804 50 0 GJAARN CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc(C)c3)cc2)n1 ZINC000009573390 221085097 /nfs/dbraw/zinc/08/50/97/221085097.db2.gz GFCAJGVPFDWMSB-UHFFFAOYSA-N 0 0 389.503 4.936 50 0 GJAARN Cc1sc2nc(-c3cccs3)nc(Oc3ccc(C(N)=O)cc3)c2c1C ZINC000009594066 221086025 /nfs/dbraw/zinc/08/60/25/221086025.db2.gz LVYMINJSLBQGDS-UHFFFAOYSA-N 0 0 381.482 4.928 50 0 GJAARN C[C@H]1CSC(N(C(=O)Cc2c[nH]c3ccccc23)c2ccc(Cl)cc2)=N1 ZINC000009583008 221086365 /nfs/dbraw/zinc/08/63/65/221086365.db2.gz XLVMCVROFRBFGF-ZDUSSCGKSA-N 0 0 383.904 4.888 50 0 GJAARN Cc1c2ccccc2oc1C(=O)CSc1nnc(NCc2ccco2)s1 ZINC000009593415 221086466 /nfs/dbraw/zinc/08/64/66/221086466.db2.gz CPXWFGRZLGGURF-UHFFFAOYSA-N 0 0 385.470 4.773 50 0 GJAARN Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2C)c1 ZINC000009019611 221068142 /nfs/dbraw/zinc/06/81/42/221068142.db2.gz CRXKACZVUFZHMF-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN Cc1c(C)n(-c2cc(C)ccn2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000009060713 221068634 /nfs/dbraw/zinc/06/86/34/221068634.db2.gz BUXQILDJGURTHF-UHFFFAOYSA-N 0 0 388.862 4.709 50 0 GJAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)cc1 ZINC000009076263 221068846 /nfs/dbraw/zinc/06/88/46/221068846.db2.gz MYXLUSIXTHVSSX-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(C/C=C/c3ccccc3)C2=O)cc1 ZINC000009052727 221068915 /nfs/dbraw/zinc/06/89/15/221068915.db2.gz FUDZOTDDZLMYGZ-ZRFNAWPJSA-N 0 0 397.474 4.516 50 0 GJAARN Cc1ccc(CC(=O)Nc2nc3ccc(Br)cc3s2)cc1C ZINC000010702434 221105994 /nfs/dbraw/zinc/10/59/94/221105994.db2.gz ZPHVJBNAPZMSPH-UHFFFAOYSA-N 0 0 375.291 4.857 50 0 GJAARN Cc1nc2ccccc2n1CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000010737282 221107725 /nfs/dbraw/zinc/10/77/25/221107725.db2.gz BBDUNZFXSKQSDW-UHFFFAOYSA-N 0 0 379.847 4.688 50 0 GJAARN CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cc2ccccc2o1 ZINC000010860891 221108816 /nfs/dbraw/zinc/10/88/16/221108816.db2.gz MVPQKYAMEDDZIX-UHFFFAOYSA-N 0 0 398.532 4.594 50 0 GJAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@H](c3ccccc3)CC2=O)cc1 ZINC000009698371 221090348 /nfs/dbraw/zinc/09/03/48/221090348.db2.gz IFGJHIVFCSCHCN-SFHVURJKSA-N 0 0 383.451 4.626 50 0 GJAARN O=C(Nc1nc(CN2CCCCC2)cs1)C1(c2ccc(Cl)cc2)CCC1 ZINC000009754080 221092310 /nfs/dbraw/zinc/09/23/10/221092310.db2.gz RLMXKFFKKJOBRA-UHFFFAOYSA-N 0 0 389.952 4.843 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000009833594 221092648 /nfs/dbraw/zinc/09/26/48/221092648.db2.gz RQKIFNCAZWGYTJ-UHFFFAOYSA-N 0 0 381.432 4.528 50 0 GJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000009901927 221093523 /nfs/dbraw/zinc/09/35/23/221093523.db2.gz XGFCWRLRHDRIDU-INIZCTEOSA-N 0 0 376.500 4.818 50 0 GJAARN CCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000009885575 221093562 /nfs/dbraw/zinc/09/35/62/221093562.db2.gz IOSADJBTNHOLGX-UHFFFAOYSA-N 0 0 393.462 4.931 50 0 GJAARN O=C(/C=C/c1ccc(Br)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000009901251 221093748 /nfs/dbraw/zinc/09/37/48/221093748.db2.gz DZXNGPTYGOGGRI-JXMROGBWSA-N 0 0 381.273 4.529 50 0 GJAARN Cc1nc(C)c(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)s1 ZINC000010022914 221096577 /nfs/dbraw/zinc/09/65/77/221096577.db2.gz MFWZELKDMIGOGI-UHFFFAOYSA-N 0 0 383.542 4.942 50 0 GJAARN COc1ccc(N[C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000011817511 221128551 /nfs/dbraw/zinc/12/85/51/221128551.db2.gz CTVAEPIHLBWWKD-OAHLLOKOSA-N 0 0 393.409 4.822 50 0 GJAARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)c1ccc2ccccc2c1 ZINC000011195193 221112311 /nfs/dbraw/zinc/11/23/11/221112311.db2.gz STTCYFDCZLKHQA-UHFFFAOYSA-N 0 0 394.427 4.916 50 0 GJAARN CCC(=O)Nc1ccc(-c2csc(NC(=O)CCc3cccs3)n2)cc1 ZINC000011436730 221116321 /nfs/dbraw/zinc/11/63/21/221116321.db2.gz JVPSESYXXOKTML-UHFFFAOYSA-N 0 0 385.514 4.791 50 0 GJAARN Cc1cc(O[C@@H](C)C(=O)Nc2nc(-c3cccs3)ns2)ccc1Cl ZINC000011917589 221137176 /nfs/dbraw/zinc/13/71/76/221137176.db2.gz FVBCRWCBUWQUIH-JTQLQIEISA-N 0 0 379.894 4.634 50 0 GJAARN Cc1ccccc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011933057 221137557 /nfs/dbraw/zinc/13/75/57/221137557.db2.gz QLZJVVROGIOVES-LJQANCHMSA-N 0 0 380.488 4.909 50 0 GJAARN Cc1nc([C@H](C)NC(=O)c2csc3nc(-c4ccccc4C)cn23)cs1 ZINC000011935661 221139085 /nfs/dbraw/zinc/13/90/85/221139085.db2.gz LJQVQILIRVQVHO-LBPRGKRZSA-N 0 0 382.514 4.627 50 0 GJAARN COc1ccccc1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)nc(C)n1 ZINC000012017022 221143948 /nfs/dbraw/zinc/14/39/48/221143948.db2.gz LRRRXYZPFSRSGW-AWEZNQCLSA-N 0 0 379.485 4.580 50 0 GJAARN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1 ZINC000012073343 221146544 /nfs/dbraw/zinc/14/65/44/221146544.db2.gz FEDAQJVYSMDQQB-OPAMFIHVSA-N 0 0 380.488 4.590 50 0 GJAARN CSc1nc(C(=O)N2CCC(c3n[nH]cc3-c3ccccc3C)CC2)cs1 ZINC000012151540 221160215 /nfs/dbraw/zinc/16/02/15/221160215.db2.gz IUDHLBVNWQXKHK-UHFFFAOYSA-N 0 0 398.557 4.583 50 0 GJAARN Cc1c(C(=O)N2CCCC2)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 ZINC000012150625 221160518 /nfs/dbraw/zinc/16/05/18/221160518.db2.gz FTJBIOTWPAXJSC-QGZVFWFLSA-N 0 0 392.528 4.725 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1F ZINC000011916859 221136528 /nfs/dbraw/zinc/13/65/28/221136528.db2.gz IXZAQBMTQMSWGH-UHFFFAOYSA-N 0 0 378.447 4.884 50 0 GJAARN COc1cccc2c1OCCCN(Cc1nc(-c3ccccc3F)oc1C)C2 ZINC000012297316 221176647 /nfs/dbraw/zinc/17/66/47/221176647.db2.gz ZRQFPVMBYBPZDK-UHFFFAOYSA-N 0 0 382.435 4.582 50 0 GJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000012306878 221179821 /nfs/dbraw/zinc/17/98/21/221179821.db2.gz MEBWEAOZZJNLDC-LJQANCHMSA-N 0 0 378.472 4.574 50 0 GJAARN Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccc(F)cc1F)O2)CCC3 ZINC000012321404 221180749 /nfs/dbraw/zinc/18/07/49/221180749.db2.gz OLKLOTDCTCJTAB-KRWDZBQOSA-N 0 0 382.362 4.575 50 0 GJAARN CC(=O)c1ccc(N2CCN(C(=O)c3oc4c(ccc(C)c4C)c3C)CC2)cc1 ZINC000012320197 221181030 /nfs/dbraw/zinc/18/10/30/221181030.db2.gz AISNMGNALGXLHN-UHFFFAOYSA-N 0 0 390.483 4.523 50 0 GJAARN COc1ccc(Cn2nccc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000012321929 221181473 /nfs/dbraw/zinc/18/14/73/221181473.db2.gz HDYNGIINZPBUQS-UHFFFAOYSA-N 0 0 395.846 4.900 50 0 GJAARN Cc1ncc(Cc2ccccc2)c([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000012165972 221161978 /nfs/dbraw/zinc/16/19/78/221161978.db2.gz DDSPAMFELOXMGD-IBGZPJMESA-N 0 0 389.474 4.535 50 0 GJAARN O=C(NC[C@@H](O)Cn1c2ccccc2c2ccccc21)Nc1ccc(Cl)cc1 ZINC000012249868 221172962 /nfs/dbraw/zinc/17/29/62/221172962.db2.gz INVOVSQEFYXUPI-QGZVFWFLSA-N 0 0 393.874 4.631 50 0 GJAARN Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(F)cc4)ccc3C(=O)O2)cc1 ZINC000012274522 221174253 /nfs/dbraw/zinc/17/42/53/221174253.db2.gz OUQYVNAOUCVPRO-OAQYLSRUSA-N 0 0 375.399 4.841 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012281928 221174667 /nfs/dbraw/zinc/17/46/67/221174667.db2.gz GHMOAFCCLHTQTL-QHCPKHFHSA-N 0 0 397.430 4.569 50 0 GJAARN Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000012420635 221192176 /nfs/dbraw/zinc/19/21/76/221192176.db2.gz WOCUGBOVWGMICD-UHFFFAOYSA-N 0 0 388.254 4.748 50 0 GJAARN Cc1ccsc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012431863 221193155 /nfs/dbraw/zinc/19/31/55/221193155.db2.gz BSWCXKSTXZJHGM-IBGZPJMESA-N 0 0 393.508 4.966 50 0 GJAARN CC(C)c1cc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012434087 221193421 /nfs/dbraw/zinc/19/34/21/221193421.db2.gz VUXPHQNOIHNVPE-HNNXBMFYSA-N 0 0 379.426 4.647 50 0 GJAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4ccon4)CC3)cc2)c1 ZINC000012440053 221195328 /nfs/dbraw/zinc/19/53/28/221195328.db2.gz JUIGHAHOAAJXAL-UHFFFAOYSA-N 0 0 375.472 4.501 50 0 GJAARN Cc1cccc(C)c1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000012440865 221195450 /nfs/dbraw/zinc/19/54/50/221195450.db2.gz OWBDXKXUIBRPMG-UHFFFAOYSA-N 0 0 395.890 4.599 50 0 GJAARN COc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc2c1 ZINC000012460217 221198386 /nfs/dbraw/zinc/19/83/86/221198386.db2.gz QZNGQEOKHVFKRS-UHFFFAOYSA-N 0 0 385.847 4.643 50 0 GJAARN Cc1cc(CN(C)C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)on1 ZINC000012466458 221198681 /nfs/dbraw/zinc/19/86/81/221198681.db2.gz XRLYKJHVSBXPMH-UHFFFAOYSA-N 0 0 389.455 4.572 50 0 GJAARN CC(C)N(C(=O)CSc1nncs1)c1ccc(Nc2ccccc2)cc1 ZINC000012522900 221201835 /nfs/dbraw/zinc/20/18/35/221201835.db2.gz JZOVAKRAQYEOKA-UHFFFAOYSA-N 0 0 384.530 4.815 50 0 GJAARN CC(=O)Nc1cccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000012554507 221205687 /nfs/dbraw/zinc/20/56/87/221205687.db2.gz YSWZYYVJIFJTLH-NRFANRHFSA-N 0 0 377.419 4.576 50 0 GJAARN COc1cccc(NC(=O)[C@@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)c1 ZINC000012555546 221207053 /nfs/dbraw/zinc/20/70/53/221207053.db2.gz PQHGGPXTTZYFMP-QFIPXVFZSA-N 0 0 387.439 4.937 50 0 GJAARN O=C(CCc1ccco1)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012584918 221210489 /nfs/dbraw/zinc/21/04/89/221210489.db2.gz CCOWQKBZSQAXTD-IBGZPJMESA-N 0 0 387.479 4.586 50 0 GJAARN O[C@H](c1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1 ZINC000012376021 221186557 /nfs/dbraw/zinc/18/65/57/221186557.db2.gz OSGOZHKZSWELNI-NRFANRHFSA-N 0 0 378.859 4.850 50 0 GJAARN COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1cccc(F)c1 ZINC000012371679 221186627 /nfs/dbraw/zinc/18/66/27/221186627.db2.gz SLPSCYDVONNXRZ-MRXNPFEDSA-N 0 0 383.444 4.949 50 0 GJAARN COc1ccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)c(SC)c1 ZINC000012389505 221187600 /nfs/dbraw/zinc/18/76/00/221187600.db2.gz GZDVDQUJTRDCGG-UHFFFAOYSA-N 0 0 398.875 4.968 50 0 GJAARN COc1ccc(-c2cc(-c3nn4c(nnc4-c4sccc4C)s3)no2)cc1 ZINC000012408413 221189784 /nfs/dbraw/zinc/18/97/84/221189784.db2.gz SIKWJSFNWHLYAW-UHFFFAOYSA-N 0 0 395.469 4.553 50 0 GJAARN OCCn1c(CN[C@@H](c2cccs2)c2ccccc2)nc2ccc(Cl)cc21 ZINC000012601232 221212795 /nfs/dbraw/zinc/21/27/95/221212795.db2.gz LONFOTZLYJYAQP-OAQYLSRUSA-N 0 0 397.931 4.623 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)COc3c(C)cc(Cl)cc3C)o2)cs1 ZINC000012618830 221215494 /nfs/dbraw/zinc/21/54/94/221215494.db2.gz VVNAPEHIALGMSL-UHFFFAOYSA-N 0 0 390.892 4.677 50 0 GJAARN Cc1cc(C)cc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000012627365 221215794 /nfs/dbraw/zinc/21/57/94/221215794.db2.gz MGYKLKUGJFQXQG-QFIPXVFZSA-N 0 0 383.495 4.904 50 0 GJAARN Cc1ccc(Cn2c(CCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1 ZINC000012637464 221216727 /nfs/dbraw/zinc/21/67/27/221216727.db2.gz KXTBFWXEMSGYBT-UHFFFAOYSA-N 0 0 397.522 4.685 50 0 GJAARN CCCCn1nc(-c2nnc(-c3c(F)cccc3Cl)o2)c2ccccc2c1=O ZINC000012736839 221222804 /nfs/dbraw/zinc/22/28/04/221222804.db2.gz JSTMPJILODQGKY-UHFFFAOYSA-N 0 0 398.825 4.706 50 0 GJAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2ccsc2)C1 ZINC000012586325 221211385 /nfs/dbraw/zinc/21/13/85/221211385.db2.gz KPGHCQHOJYCFEA-JOCHJYFZSA-N 0 0 385.529 4.557 50 0 GJAARN COc1cc(NC(=O)Cc2csc(-c3ccsc3)n2)c(OC)cc1Cl ZINC000012748380 221223849 /nfs/dbraw/zinc/22/38/49/221223849.db2.gz ITHHUQXODNHELB-UHFFFAOYSA-N 0 0 394.905 4.723 50 0 GJAARN CC(C)(C(=O)NCCSc1ccc(Br)cc1)c1ccccc1 ZINC000012749687 221224653 /nfs/dbraw/zinc/22/46/53/221224653.db2.gz YJLIQAZZQPBBIK-UHFFFAOYSA-N 0 0 378.335 4.635 50 0 GJAARN CCSc1nnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1 ZINC000012750077 221224674 /nfs/dbraw/zinc/22/46/74/221224674.db2.gz HKDIWSLVAGMTLT-UHFFFAOYSA-N 0 0 388.499 4.772 50 0 GJAARN Cc1sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)nc1-c1ccccc1 ZINC000012755636 221225769 /nfs/dbraw/zinc/22/57/69/221225769.db2.gz DISGDYJFCAPSTC-UHFFFAOYSA-N 0 0 377.473 4.696 50 0 GJAARN CCc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1 ZINC000012753230 221225908 /nfs/dbraw/zinc/22/59/08/221225908.db2.gz VLWHRPSWMSMSGH-UHFFFAOYSA-N 0 0 376.485 4.664 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1F ZINC000012757687 221227081 /nfs/dbraw/zinc/22/70/81/221227081.db2.gz MAPMOVRPTWBSDT-UHFFFAOYSA-N 0 0 378.451 4.761 50 0 GJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000012796552 221234194 /nfs/dbraw/zinc/23/41/94/221234194.db2.gz KAKYZIAIJPINKD-UHFFFAOYSA-N 0 0 393.535 4.530 50 0 GJAARN CCOc1cc2c(cc1CNC(=O)c1cc(SC)ccc1Cl)O[C@@H](C)C2 ZINC000012766851 221228299 /nfs/dbraw/zinc/22/82/99/221228299.db2.gz NPUWIEMVWAANPA-LBPRGKRZSA-N 0 0 391.920 4.714 50 0 GJAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000012773128 221229039 /nfs/dbraw/zinc/22/90/39/221229039.db2.gz ATQBKOOIVVPNMW-NRFANRHFSA-N 0 0 387.479 4.507 50 0 GJAARN CC(=O)Nc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1 ZINC000012773250 221229377 /nfs/dbraw/zinc/22/93/77/221229377.db2.gz BIGUPXQSCIJCSJ-UHFFFAOYSA-N 0 0 384.888 4.957 50 0 GJAARN COc1ccccc1[C@H](C)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000012775327 221230263 /nfs/dbraw/zinc/23/02/63/221230263.db2.gz MNYIHIPHFLJBFY-HNNXBMFYSA-N 0 0 388.467 4.688 50 0 GJAARN C/C=C/c1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c(OC)c1 ZINC000012780563 221230709 /nfs/dbraw/zinc/23/07/09/221230709.db2.gz MHGPATGSKIPVHD-SOFGYWHQSA-N 0 0 396.487 4.730 50 0 GJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(-c3ccco3)on2)o1 ZINC000012906005 221243950 /nfs/dbraw/zinc/24/39/50/221243950.db2.gz SXRDRYUJQIGASL-LLVKDONJSA-N 0 0 387.392 4.889 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccc(F)c2)s1 ZINC000012808696 221235269 /nfs/dbraw/zinc/23/52/69/221235269.db2.gz LJZQPNFKQNQWPL-ZROIWOOFSA-N 0 0 377.803 4.806 50 0 GJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000012817696 221235577 /nfs/dbraw/zinc/23/55/77/221235577.db2.gz RCLFDCDLVGQKPH-UHFFFAOYSA-N 0 0 390.414 4.997 50 0 GJAARN CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H](C(F)(F)F)C2)c1=S ZINC000012811493 221236098 /nfs/dbraw/zinc/23/60/98/221236098.db2.gz MVIHYSCEBRYTBN-CQSZACIVSA-N 0 0 384.471 4.641 50 0 GJAARN O=C(c1ccc(Br)cc1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000012814848 221236349 /nfs/dbraw/zinc/23/63/49/221236349.db2.gz QEKDQPGFJYOIKO-UHFFFAOYSA-N 0 0 388.305 4.640 50 0 GJAARN CCn1c(=S)n(CN(C)C(c2ccccc2)c2ccccc2)nc1C1CC1 ZINC000012817644 221236371 /nfs/dbraw/zinc/23/63/71/221236371.db2.gz SULLIFNQEGEYMQ-UHFFFAOYSA-N 0 0 378.545 4.990 50 0 GJAARN CCc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccccc3)n2)cc1 ZINC000012819677 221236928 /nfs/dbraw/zinc/23/69/28/221236928.db2.gz OOQITIAQZZDHSV-FQEVSTJZSA-N 0 0 375.472 4.595 50 0 GJAARN CC(C)c1ccc(-c2noc(CCC(=O)NC34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000012855909 221238281 /nfs/dbraw/zinc/23/82/81/221238281.db2.gz KEIZVIMURKKPFP-UHFFFAOYSA-N 0 0 393.531 4.878 50 0 GJAARN CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@](C)(N2CCCC2)[C@@H]1C)OCO3 ZINC000012860644 221239297 /nfs/dbraw/zinc/23/92/97/221239297.db2.gz LPWYMVXRDVBDOS-VILGCMSXSA-N 0 0 395.499 4.786 50 0 GJAARN COc1ccc([C@@H](NC(=O)Cc2csc(-c3cccs3)n2)C(C)C)cc1 ZINC000012891791 221242375 /nfs/dbraw/zinc/24/23/75/221242375.db2.gz KBJBFYQHIWTNBJ-IBGZPJMESA-N 0 0 386.542 4.936 50 0 GJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccccc3F)s2)cc1 ZINC000012924299 221246698 /nfs/dbraw/zinc/24/66/98/221246698.db2.gz UOGONHIUHFAXKV-GDNBJRDFSA-N 0 0 387.867 4.653 50 0 GJAARN COc1cccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)c1 ZINC000012934565 221248363 /nfs/dbraw/zinc/24/83/63/221248363.db2.gz ZTSOZCRVJDVNDQ-BOPFTXTBSA-N 0 0 399.903 4.522 50 0 GJAARN O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC[C@H]2CCCC[C@H]21 ZINC000012971980 221250096 /nfs/dbraw/zinc/25/00/96/221250096.db2.gz JJVOZFMAJQQQMG-GDBMZVCRSA-N 0 0 394.610 4.556 50 0 GJAARN Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1C ZINC000012979139 221252195 /nfs/dbraw/zinc/25/21/95/221252195.db2.gz YWALXHBJCLXJEA-IBGZPJMESA-N 0 0 375.490 4.572 50 0 GJAARN CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cnc21 ZINC000012992630 221253927 /nfs/dbraw/zinc/25/39/27/221253927.db2.gz IFDWNTDEPRFHSD-UHFFFAOYSA-N 0 0 377.275 4.591 50 0 GJAARN C/C=C/c1cc(C(=O)N(C)CCOc2ccccc2Cl)cc(OC)c1OC ZINC000012991924 221254268 /nfs/dbraw/zinc/25/42/68/221254268.db2.gz WRWUMZDAENPNTK-VMPITWQZSA-N 0 0 389.879 4.541 50 0 GJAARN O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccsc1 ZINC000013003788 221255036 /nfs/dbraw/zinc/25/50/36/221255036.db2.gz CXEAPEAZQQFUQK-UHFFFAOYSA-N 0 0 380.347 4.865 50 0 GJAARN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 ZINC000013004091 221255661 /nfs/dbraw/zinc/25/56/61/221255661.db2.gz WPNLCFDBIGUMCS-UHFFFAOYSA-N 0 0 379.481 4.593 50 0 GJAARN O=C(Nc1cccc2ccccc21)C1CCN(c2cnc3ccccc3n2)CC1 ZINC000013363202 221266966 /nfs/dbraw/zinc/26/69/66/221266966.db2.gz REXNRNDZGMPPGQ-UHFFFAOYSA-N 0 0 382.467 4.638 50 0 GJAARN O=C(OCc1csc(-c2ccc(Cl)cc2)n1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000013098449 221260397 /nfs/dbraw/zinc/26/03/97/221260397.db2.gz LOKFPBAPDUSTMU-YIONKMFJSA-N 0 0 389.904 4.902 50 0 GJAARN CCCNC(=O)N1[C@@H](c2cccs2)[C@H](C)C(=O)[C@H](C)[C@H]1c1cccs1 ZINC000013370190 221267909 /nfs/dbraw/zinc/26/79/09/221267909.db2.gz DBSPZGFBTNTCJY-GANFFNEQSA-N 0 0 376.547 4.869 50 0 GJAARN CCCC(=O)N1c2nc(-c3cccnc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370121 221268353 /nfs/dbraw/zinc/26/83/53/221268353.db2.gz XZTWNOBVVRSBOU-MOPGFXCFSA-N 0 0 393.535 4.705 50 0 biogenic GJAARN COP(=O)(CN(Cc1ccccc1)C(=S)Nc1c(C)cccc1C)OC ZINC000013521011 221270468 /nfs/dbraw/zinc/27/04/68/221270468.db2.gz XMNPOIOZMUZNJX-UHFFFAOYSA-N 0 0 392.461 4.946 50 0 GJAARN COc1ccc2c(c1)CCc1c(-c3nc(-c4ccccc4Cl)no3)n[nH]c1-2 ZINC000013570060 221274809 /nfs/dbraw/zinc/27/48/09/221274809.db2.gz USMVLCIDIVADKC-UHFFFAOYSA-N 0 0 378.819 4.554 50 0 GJAARN Cc1ccccc1NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 ZINC000013654052 221279781 /nfs/dbraw/zinc/27/97/81/221279781.db2.gz OUTVGCMGYBXBNE-UHFFFAOYSA-N 0 0 388.539 4.669 50 0 GJAARN COc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 ZINC000013656221 221279961 /nfs/dbraw/zinc/27/99/61/221279961.db2.gz RZOJJWTUGPUTBB-UHFFFAOYSA-N 0 0 399.446 4.821 50 0 biogenic GJAARN Brc1ccc(-c2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)cc1 ZINC000013692296 221282488 /nfs/dbraw/zinc/28/24/88/221282488.db2.gz DNEITSAAKIELBW-UHFFFAOYSA-N 0 0 396.273 4.764 50 0 GJAARN CC(C)c1nc2oc3c(ncn(Cc4ccccc4Cl)c3=O)c2c2c1CCC2 ZINC000013730154 221286044 /nfs/dbraw/zinc/28/60/44/221286044.db2.gz LMTYUTZDBOZJBY-UHFFFAOYSA-N 0 0 393.874 4.852 50 0 GJAARN COc1ccc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn32)cc1 ZINC000013956886 221294666 /nfs/dbraw/zinc/29/46/66/221294666.db2.gz QPEQQEANURSGFP-UHFFFAOYSA-N 0 0 377.256 4.835 50 0 GJAARN COc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Br ZINC000014011463 221296009 /nfs/dbraw/zinc/29/60/09/221296009.db2.gz VJCKGCQAWKDFOU-IZZDOVSWSA-N 0 0 390.686 4.556 50 0 GJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000014075052 221297105 /nfs/dbraw/zinc/29/71/05/221297105.db2.gz FIMASMVFLKSRPE-UHFFFAOYSA-N 0 0 377.492 4.563 50 0 GJAARN CC(=O)c1ccccc1OCCOc1ncnc2c(Cl)cc(Cl)cc12 ZINC000014110028 221299492 /nfs/dbraw/zinc/29/94/92/221299492.db2.gz OABLSZDQWCWYLL-UHFFFAOYSA-N 0 0 377.227 4.597 50 0 GJAARN COc1cc(NC(=O)c2ccccc2SCc2cc(C)no2)cc(OC)c1 ZINC000014182208 221302676 /nfs/dbraw/zinc/30/26/76/221302676.db2.gz VLICAAZDPFHOMZ-UHFFFAOYSA-N 0 0 384.457 4.545 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccco3)n(CC)c2=S)cc1 ZINC000014181813 221302690 /nfs/dbraw/zinc/30/26/90/221302690.db2.gz OTBIVITUCNNFJB-SFHVURJKSA-N 0 0 398.532 4.887 50 0 GJAARN CC(C)Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000014229613 221306114 /nfs/dbraw/zinc/30/61/14/221306114.db2.gz ZBIITSWLCJSHSZ-UHFFFAOYSA-N 0 0 381.457 4.611 50 0 GJAARN CSc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000014428352 221310886 /nfs/dbraw/zinc/31/08/86/221310886.db2.gz ZKAZUXWKFJMESX-HNNXBMFYSA-N 0 0 388.920 4.553 50 0 GJAARN CCC[C@@H](C(=O)Nc1ccccc1I)c1ccccc1 ZINC000014429456 221311084 /nfs/dbraw/zinc/31/10/84/221311084.db2.gz QQTBQYAUYWXGNJ-CQSZACIVSA-N 0 0 379.241 4.814 50 0 GJAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccccc3F)s2)c1C ZINC000014608844 221313500 /nfs/dbraw/zinc/31/35/00/221313500.db2.gz XTJXXOJGJZDNRC-UHFFFAOYSA-N 0 0 386.496 4.988 50 0 GJAARN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1C ZINC000014609729 221313606 /nfs/dbraw/zinc/31/36/06/221313606.db2.gz YHFKXJQZJDIOIJ-UHFFFAOYSA-N 0 0 386.430 4.943 50 0 GJAARN c1coc(-c2cc(CSc3nnc(NCCc4cccs4)s3)no2)c1 ZINC000014703977 221314274 /nfs/dbraw/zinc/31/42/74/221314274.db2.gz BCUSHNCOYRDNFC-UHFFFAOYSA-N 0 0 390.515 4.795 50 0 GJAARN O=C(c1ccccc1)C1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000014813956 221317286 /nfs/dbraw/zinc/31/72/86/221317286.db2.gz DZOBDXADJUDKGX-UHFFFAOYSA-N 0 0 376.269 4.683 50 0 GJAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000015224459 221333787 /nfs/dbraw/zinc/33/37/87/221333787.db2.gz IDQRZPRKUAXDQE-GCJKJVERSA-N 0 0 390.464 4.509 50 0 GJAARN CSc1ncc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)n1-c1ccc(F)cc1 ZINC000015321651 221334686 /nfs/dbraw/zinc/33/46/86/221334686.db2.gz ZBZBVLDZSNQASD-LLVKDONJSA-N 0 0 391.418 4.503 50 0 GJAARN CCOC(=O)c1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 ZINC000015442871 221336136 /nfs/dbraw/zinc/33/61/36/221336136.db2.gz BPPNSALLNZWKDR-UHFFFAOYSA-N 0 0 385.261 4.538 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)c1ccc(F)cc1 ZINC000015419268 221336304 /nfs/dbraw/zinc/33/63/04/221336304.db2.gz RNQPJFSLXWDEKZ-CYBMUJFWSA-N 0 0 379.273 4.528 50 0 GJAARN Cc1c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cnn1-c1ccccn1 ZINC000014981553 221324532 /nfs/dbraw/zinc/32/45/32/221324532.db2.gz ADAUSJVRSYAYSY-SFHVURJKSA-N 0 0 396.494 4.585 50 0 GJAARN O=C(CN1C(=O)SC(=CC=Cc2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000015010658 221326010 /nfs/dbraw/zinc/32/60/10/221326010.db2.gz PKOWVPPACORIHY-DFBITEFZSA-N 0 0 383.856 4.815 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000015640398 221337637 /nfs/dbraw/zinc/33/76/37/221337637.db2.gz UKYYBYOUQYGTES-INIZCTEOSA-N 0 0 394.689 4.900 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000015576312 221337723 /nfs/dbraw/zinc/33/77/23/221337723.db2.gz RONWLUQVBUVBCB-SFHVURJKSA-N 0 0 388.439 4.904 50 0 GJAARN Cc1ccc([C@H](CC(=O)NC2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721448 221341576 /nfs/dbraw/zinc/34/15/76/221341576.db2.gz DOMQOHNQSICKKL-QFIPXVFZSA-N 0 0 376.500 4.531 50 0 GJAARN COc1cc(OC)c(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1Cl ZINC000015711516 221341614 /nfs/dbraw/zinc/34/16/14/221341614.db2.gz ZBRCFKKDDITDDB-UHFFFAOYSA-N 0 0 392.839 4.872 50 0 GJAARN Cc1ccc([C@H](CC(=O)Nc2ccccc2F)N2Cc3ccccc3C2=O)cc1 ZINC000015721473 221341751 /nfs/dbraw/zinc/34/17/51/221341751.db2.gz BDXHWHDWMURYNV-QFIPXVFZSA-N 0 0 388.442 4.860 50 0 GJAARN COc1cccc(CNC(=O)c2ccc(N3CCCc4ccccc43)s2)c1 ZINC000015732248 221342259 /nfs/dbraw/zinc/34/22/59/221342259.db2.gz MPQNEOCWDUZBSX-UHFFFAOYSA-N 0 0 378.497 4.771 50 0 GJAARN Cc1nn2c(ncc(C(=O)NCc3ccc(C)cc3)c2C)c1-c1cccc(C)c1 ZINC000015733098 221342591 /nfs/dbraw/zinc/34/25/91/221342591.db2.gz YZPXHSSAQSXLEM-UHFFFAOYSA-N 0 0 384.483 4.560 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 ZINC000015832723 221346493 /nfs/dbraw/zinc/34/64/93/221346493.db2.gz UEFAAZRXBUGSFU-MRXNPFEDSA-N 0 0 396.512 4.519 50 0 GJAARN CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000015837607 221346592 /nfs/dbraw/zinc/34/65/92/221346592.db2.gz GUFBQYZPEUTWFD-BOPFTXTBSA-N 0 0 389.860 4.988 50 0 GJAARN CCSc1nn(CC(C)C)c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000015839076 221347003 /nfs/dbraw/zinc/34/70/03/221347003.db2.gz FDJMVHNNVKXYEH-JOCHJYFZSA-N 0 0 396.560 4.550 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000015829568 221347046 /nfs/dbraw/zinc/34/70/46/221347046.db2.gz PSDBAALUCUVZJG-NRFANRHFSA-N 0 0 397.515 4.744 50 0 GJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)c(C)c5)c4ncn3n2)cc1 ZINC000015842350 221347639 /nfs/dbraw/zinc/34/76/39/221347639.db2.gz RGOQUUOMARLEGA-UHFFFAOYSA-N 0 0 397.482 4.977 50 0 GJAARN CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)c2cccnc12 ZINC000015841102 221348065 /nfs/dbraw/zinc/34/80/65/221348065.db2.gz QPGOYZQTVOVNNP-INIZCTEOSA-N 0 0 394.471 4.828 50 0 GJAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000015863643 221349838 /nfs/dbraw/zinc/34/98/38/221349838.db2.gz UNIFJXQQKIOQEP-UHFFFAOYSA-N 0 0 398.466 4.559 50 0 GJAARN Cc1ccccc1NC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 ZINC000015881555 221351089 /nfs/dbraw/zinc/35/10/89/221351089.db2.gz HXICQVQHTTWVNW-UHFFFAOYSA-N 0 0 388.471 4.837 50 0 GJAARN CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000015883100 221351329 /nfs/dbraw/zinc/35/13/29/221351329.db2.gz MSCFLLURQDTJDP-UHFFFAOYSA-N 0 0 384.888 4.524 50 0 GJAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccc(F)c(Cl)c3)ccc21 ZINC000016120401 221357401 /nfs/dbraw/zinc/35/74/01/221357401.db2.gz SJKXMGCAXSLDFS-LLVKDONJSA-N 0 0 377.868 4.752 50 0 GJAARN COc1cc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O ZINC000016312075 221361102 /nfs/dbraw/zinc/36/11/02/221361102.db2.gz LGLBQBSHVDSNEE-HOEQWYPASA-N 0 0 388.876 4.727 50 0 GJAARN Cc1cccc(-n2ncc3c2ncnc3Nc2ccc(Br)cc2)c1 ZINC000017180534 221381005 /nfs/dbraw/zinc/38/10/05/221381005.db2.gz HLNPXXIATHNUST-UHFFFAOYSA-N 0 0 380.249 4.630 50 0 GJAARN CCCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cc(OC)ccc3nc21 ZINC000017249575 221382363 /nfs/dbraw/zinc/38/23/63/221382363.db2.gz WPEBQFGRJXPISL-UHFFFAOYSA-N 0 0 392.434 4.785 50 0 GJAARN COc1cccc(CNCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)c1 ZINC000017311918 221383685 /nfs/dbraw/zinc/38/36/85/221383685.db2.gz HOCLOJKCVLJMSX-UHFFFAOYSA-N 0 0 376.287 4.786 50 0 GJAARN Cc1cc(-c2cccs2)c2c(N)c(C(=O)c3ccc4c(c3)OCO4)sc2n1 ZINC000017354338 221383913 /nfs/dbraw/zinc/38/39/13/221383913.db2.gz TZVVPYZXGLGALB-UHFFFAOYSA-N 0 0 394.477 4.875 50 0 GJAARN Cc1ccc(C)c(Cn2c(CNC(=O)c3ccc(F)cc3)nc3ccccc32)c1 ZINC000016740579 221369271 /nfs/dbraw/zinc/36/92/71/221369271.db2.gz GUAQPCVCPBNHMH-UHFFFAOYSA-N 0 0 387.458 4.771 50 0 GJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1 ZINC000017051658 221375685 /nfs/dbraw/zinc/37/56/85/221375685.db2.gz BFUWNOHCGCQTAQ-UHFFFAOYSA-N 0 0 388.496 4.744 50 0 GJAARN Cc1nn(C(C)C)c2nc(C)cc(C(=O)N3CCCC[C@@H]3c3ccccc3)c12 ZINC000017077053 221375994 /nfs/dbraw/zinc/37/59/94/221375994.db2.gz MDWIJKMAUGLWIP-HXUWFJFHSA-N 0 0 376.504 4.996 50 0 GJAARN S=C1N=NC(CSCc2ccccc2)N1c1ccc(Br)cc1 ZINC000017080084 221378523 /nfs/dbraw/zinc/37/85/23/221378523.db2.gz RIPCXFVRULBRHK-UHFFFAOYSA-N 0 0 392.347 4.752 50 0 GJAARN COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3cc(Cl)cn3)n2)c1 ZINC000017080731 221378550 /nfs/dbraw/zinc/37/85/50/221378550.db2.gz KEZASFCVDBRFHC-UHFFFAOYSA-N 0 0 394.862 4.590 50 0 GJAARN CCOc1ccc(C(=O)NCc2csc(-c3cccc(C)c3)n2)cc1OCC ZINC000017081078 221378574 /nfs/dbraw/zinc/37/85/74/221378574.db2.gz BCNWXYYEMACVTI-UHFFFAOYSA-N 0 0 396.512 4.846 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000017590819 221385372 /nfs/dbraw/zinc/38/53/72/221385372.db2.gz LTJCFMOEKVPAJI-UHFFFAOYSA-N 0 0 388.496 4.924 50 0 GJAARN CN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000017958362 221385468 /nfs/dbraw/zinc/38/54/68/221385468.db2.gz IXSCVFNAYAPBSD-UHFFFAOYSA-N 0 0 376.334 4.758 50 0 GJAARN CCC[C@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccccc1 ZINC000018135090 221387115 /nfs/dbraw/zinc/38/71/15/221387115.db2.gz SSGIUOCDLYCAIQ-KRWDZBQOSA-N 0 0 390.512 4.817 50 0 GJAARN COc1ccc(NC(=O)c2cc(N3C[C@@H](C)C[C@H](C)C3)nc3ccccc32)cc1 ZINC000018173560 221388282 /nfs/dbraw/zinc/38/82/82/221388282.db2.gz GOWWGNCXZGMPDC-IRXDYDNUSA-N 0 0 389.499 4.978 50 0 GJAARN CC(=O)c1cccc(NC=C2c3ccccc3C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000018182173 221389140 /nfs/dbraw/zinc/38/91/40/221389140.db2.gz NKEONEDOQISAKQ-HZHRSRAPSA-N 0 0 396.446 4.525 50 0 GJAARN Cc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000020444282 221487819 /nfs/dbraw/zinc/48/78/19/221487819.db2.gz JLHAWXRBUHZIGV-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(C(C)C)cc1)SCC(=O)N2 ZINC000020718639 221508413 /nfs/dbraw/zinc/50/84/13/221508413.db2.gz JLNRQWBHTSWYKB-SFHVURJKSA-N 0 0 379.489 4.518 50 0 GJAARN O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2)N1CCCC1 ZINC000020737445 221510391 /nfs/dbraw/zinc/51/03/91/221510391.db2.gz MCSKZMUGQGBIOL-JOCHJYFZSA-N 0 0 388.511 4.756 50 0 GJAARN CCc1ccc(C2=NN(C(C)=O)[C@@H](COc3ccc(Cl)cc3Cl)O2)cc1 ZINC000021092275 221526250 /nfs/dbraw/zinc/52/62/50/221526250.db2.gz PPLMEYXRMAXWIJ-GOSISDBHSA-N 0 0 393.270 4.501 50 0 GJAARN COCCCN(C(=S)Nc1ccc(C)cc1Cl)[C@H](C)c1ccccn1 ZINC000003047522 533276047 /nfs/dbraw/zinc/27/60/47/533276047.db2.gz CVIOCWNTTFIGJI-OAHLLOKOSA-N 0 0 377.941 4.840 50 0 GJAARN O=C(NC1CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078850 132426206 /nfs/dbraw/zinc/42/62/06/132426206.db2.gz YXABQXMEUAWTOF-UHFFFAOYSA-N 0 0 396.918 4.996 50 0 GJAARN C[C@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1(Cl)Cl ZINC000058152594 136154578 /nfs/dbraw/zinc/15/45/78/136154578.db2.gz WVEOSWOQUMVQAK-QGZVFWFLSA-N 0 0 381.328 4.833 50 0 GJAARN O=C(C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)NC1CCCCC1 ZINC000064663821 136157317 /nfs/dbraw/zinc/15/73/17/136157317.db2.gz OWUFNOUBUPAHPH-FQEVSTJZSA-N 0 0 398.934 4.947 50 0 GJAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)nc2)cc1 ZINC000065023286 136158659 /nfs/dbraw/zinc/15/86/59/136158659.db2.gz XXZMEUHFULGGQU-HXUWFJFHSA-N 0 0 392.547 4.507 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)CSc1cc(N2CCCC[C@@H]2C)ncn1 ZINC000065133541 136159439 /nfs/dbraw/zinc/15/94/39/136159439.db2.gz ROIYRAHEXMKLBU-AWEZNQCLSA-N 0 0 390.940 4.548 50 0 GJAARN Cc1ccc(F)c(NC(=O)c2csc(-c3ccc(N4CCCCC4)nc3)n2)c1 ZINC000065165392 136159704 /nfs/dbraw/zinc/15/97/04/136159704.db2.gz OMBWXPSZPCSYOM-UHFFFAOYSA-N 0 0 396.491 4.895 50 0 GJAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@H]2CC(=O)NC2CCCCC2)cc1 ZINC000096323102 136186621 /nfs/dbraw/zinc/18/66/21/136186621.db2.gz DGDYMBXMFGDTIG-OAQYLSRUSA-N 0 0 396.506 4.741 50 0 GJAARN Cc1cccc(NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)c1 ZINC000096323111 136186630 /nfs/dbraw/zinc/18/66/30/136186630.db2.gz QBSLZBMICBLWRP-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCC(=O)N4C)sc2C)s1 ZINC000097022145 136187957 /nfs/dbraw/zinc/18/79/57/136187957.db2.gz PNTFKQQXSSMFAW-UHFFFAOYSA-N 0 0 397.525 4.650 50 0 GJAARN Cc1cccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)c1C ZINC000008178128 136195392 /nfs/dbraw/zinc/19/53/92/136195392.db2.gz XDKAURTUXPRFDN-UHFFFAOYSA-N 0 0 395.510 4.635 50 0 GJAARN Cc1cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCCN2C3=O)ccc1Cl ZINC000169766498 136198366 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CCCn1cc(C2=CCN(C(=O)Nc3cccc(OC)c3)CC2)c2cccnc21 ZINC000065211813 222111628 /nfs/dbraw/zinc/11/16/28/222111628.db2.gz RIZIOIBMICUEDX-UHFFFAOYSA-N 0 0 390.487 4.776 50 0 GJAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2ccccc2c1 ZINC000058008855 222038114 /nfs/dbraw/zinc/03/81/14/222038114.db2.gz USYCMJZXZGKKQE-UHFFFAOYSA-N 0 0 386.373 4.998 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000058053514 222038805 /nfs/dbraw/zinc/03/88/05/222038805.db2.gz BCCATKDSISHFAC-QGZVFWFLSA-N 0 0 392.286 4.937 50 0 GJAARN CCCCCN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@@H](C)CCC ZINC000058107894 222038880 /nfs/dbraw/zinc/03/88/80/222038880.db2.gz RMLFXSXWXQPNJF-AWEZNQCLSA-N 0 0 380.583 4.503 50 0 GJAARN CC(C)c1noc(CCCC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)n1 ZINC000058139448 222040897 /nfs/dbraw/zinc/04/08/97/222040897.db2.gz NTYUUTBRJUOFGX-UHFFFAOYSA-N 0 0 384.307 4.874 50 0 GJAARN COc1ccc(CC[C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)cc1OC ZINC000058265172 222047529 /nfs/dbraw/zinc/04/75/29/222047529.db2.gz 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ZINC000058421338 222052219 /nfs/dbraw/zinc/05/22/19/222052219.db2.gz FXYLUCZLGOUACZ-QGZVFWFLSA-N 0 0 392.293 4.509 50 0 GJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NCC(F)(F)F)cc2)n1 ZINC000060062983 222057611 /nfs/dbraw/zinc/05/76/11/222057611.db2.gz WGGFHYZPJQTIQE-UHFFFAOYSA-N 0 0 388.393 4.716 50 0 GJAARN CCc1ccsc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000059984542 222057683 /nfs/dbraw/zinc/05/76/83/222057683.db2.gz DWXKZXMMYYKUNI-MRXNPFEDSA-N 0 0 380.916 4.670 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1ccccn1 ZINC000062018078 222065846 /nfs/dbraw/zinc/06/58/46/222065846.db2.gz XOMLSAWAMYUARQ-UHFFFAOYSA-N 0 0 384.863 4.714 50 0 GJAARN C[C@@H]1CCCN(C(=O)c2c3c(sc2NC(=O)c2cccnc2)CCCC3)CC1 ZINC000063273469 222065872 /nfs/dbraw/zinc/06/58/72/222065872.db2.gz DAMGNKRPORBFLW-OAHLLOKOSA-N 0 0 397.544 4.536 50 0 GJAARN O=C(c1cccc(Cl)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000062129254 222066152 /nfs/dbraw/zinc/06/61/52/222066152.db2.gz AKKUBOKGVWWLNT-UHFFFAOYSA-N 0 0 379.891 4.756 50 0 GJAARN O=C(NCc1cc2cc(F)ccc2s1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000062653274 222066159 /nfs/dbraw/zinc/06/61/59/222066159.db2.gz KJVFHPYUPPQMFO-UHFFFAOYSA-N 0 0 396.487 4.845 50 0 GJAARN Cc1ccc2nc(-c3cnc(C4CC4)nc3)c(C)c(C(=O)N3CCCCC3)c2c1 ZINC000063833664 222067838 /nfs/dbraw/zinc/06/78/38/222067838.db2.gz QMUJAVLDYFKRHF-UHFFFAOYSA-N 0 0 386.499 4.812 50 0 GJAARN c1ccc2nc(CN(Cc3cccnc3)Cc3ccc4c(c3)OCO4)ccc2c1 ZINC000063871736 222068540 /nfs/dbraw/zinc/06/85/40/222068540.db2.gz BSGNFZYSMBHMGJ-UHFFFAOYSA-N 0 0 383.451 4.561 50 0 GJAARN Cc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)c(C)s1 ZINC000064450233 222070354 /nfs/dbraw/zinc/07/03/54/222070354.db2.gz MVUXFGNIOKAWEC-KRWDZBQOSA-N 0 0 393.512 4.785 50 0 GJAARN Cc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc32)cc1Cl ZINC000064471659 222070818 /nfs/dbraw/zinc/07/08/18/222070818.db2.gz KWNOYODOQDFDAB-UHFFFAOYSA-N 0 0 399.853 4.552 50 0 GJAARN O=C(Nc1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1)c1ccccc1 ZINC000064526657 222071914 /nfs/dbraw/zinc/07/19/14/222071914.db2.gz IGYDQBJTGPVUJI-UHFFFAOYSA-N 0 0 398.506 4.720 50 0 GJAARN CCOc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471809 222072286 /nfs/dbraw/zinc/07/22/86/222072286.db2.gz GTNOVMJBMJRCHL-UHFFFAOYSA-N 0 0 379.435 4.752 50 0 GJAARN CCOc1ccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000064473441 222072293 /nfs/dbraw/zinc/07/22/93/222072293.db2.gz BZEPQJKQNXLGRP-UHFFFAOYSA-N 0 0 399.450 4.713 50 0 GJAARN Cc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)c1C ZINC000064471752 222072661 /nfs/dbraw/zinc/07/26/61/222072661.db2.gz PNVAGSBLQXRZAJ-UHFFFAOYSA-N 0 0 377.513 4.784 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2ccc3nc(-c4ccc(C)c(C)c4)cn3c2)cc1 ZINC000065229926 222112995 /nfs/dbraw/zinc/11/29/95/222112995.db2.gz JCZLJCVYLVGCAZ-UHFFFAOYSA-N 0 0 398.466 4.829 50 0 GJAARN CCCCN(C)C(=O)c1ccc(-c2cc(Oc3ccc(OC)cc3)ncn2)cc1 ZINC000064568524 222075201 /nfs/dbraw/zinc/07/52/01/222075201.db2.gz BIIJKRLNERCRDA-UHFFFAOYSA-N 0 0 391.471 4.817 50 0 GJAARN Cc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3ccc4c(c3)OCO4)c2c1 ZINC000064568376 222075328 /nfs/dbraw/zinc/07/53/28/222075328.db2.gz JOLYSVRXCMYEKN-UHFFFAOYSA-N 0 0 389.455 4.642 50 0 GJAARN Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3N)n2)c1 ZINC000064664399 222077381 /nfs/dbraw/zinc/07/73/81/222077381.db2.gz VBSBHKIQFSBPTM-UHFFFAOYSA-N 0 0 375.501 4.874 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc(-c3cc(Oc4ccccc4)ncn3)cc2)o1 ZINC000064669292 222077848 /nfs/dbraw/zinc/07/78/48/222077848.db2.gz HHMQVIVSHJXTOT-UHFFFAOYSA-N 0 0 385.423 4.767 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(NCc4ccc(F)cc4)nc3)n2)cc1 ZINC000064676830 222078938 /nfs/dbraw/zinc/07/89/38/222078938.db2.gz BNDBICPBOAFEFO-UHFFFAOYSA-N 0 0 376.391 4.558 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)NCc4ccccc4)csc3n2)cc1C ZINC000064676292 222079669 /nfs/dbraw/zinc/07/96/69/222079669.db2.gz YGCBEIRHTOROFK-UHFFFAOYSA-N 0 0 375.497 4.539 50 0 GJAARN CC(C)(C)c1ccc(C(=O)Nc2c(=O)oc3ccccc3c2N2CCCC2)cc1 ZINC000064726408 222079897 /nfs/dbraw/zinc/07/98/97/222079897.db2.gz QDNNJNPKSVEWRS-UHFFFAOYSA-N 0 0 390.483 4.943 50 0 GJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2cccc(C)c2C)n1 ZINC000064747580 222080285 /nfs/dbraw/zinc/08/02/85/222080285.db2.gz UAGSKCMZKUDKQB-GOSISDBHSA-N 0 0 392.459 4.731 50 0 GJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(C)cc3C)n2)c1 ZINC000064747485 222080907 /nfs/dbraw/zinc/08/09/07/222080907.db2.gz ZBIIFEOSKXMTGZ-IBGZPJMESA-N 0 0 392.459 4.731 50 0 GJAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(F)cc1 ZINC000064758034 222080925 /nfs/dbraw/zinc/08/09/25/222080925.db2.gz FRVJRTKKJHYTGS-UHFFFAOYSA-N 0 0 384.480 4.772 50 0 GJAARN Cc1cccc(Nc2nnc(CC(=O)NCc3ccc(C(C)C)cc3)s2)c1 ZINC000064757750 222080947 /nfs/dbraw/zinc/08/09/47/222080947.db2.gz UAZVGWZQFRWTLO-UHFFFAOYSA-N 0 0 380.517 4.572 50 0 GJAARN CC(=O)c1cccc(Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)nn2)c1 ZINC000064837845 222083427 /nfs/dbraw/zinc/08/34/27/222083427.db2.gz MJGNISWSXCXOMX-UHFFFAOYSA-N 0 0 391.818 4.793 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000064847601 222084790 /nfs/dbraw/zinc/08/47/90/222084790.db2.gz DKSFXRWRXPHGBV-GOSISDBHSA-N 0 0 379.504 4.822 50 0 GJAARN O=C(NC1CCCCCC1)c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1 ZINC000064919537 222088183 /nfs/dbraw/zinc/08/81/83/222088183.db2.gz JFJXRLQLDXBFKP-UHFFFAOYSA-N 0 0 378.451 4.526 50 0 GJAARN CCc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949566 222088974 /nfs/dbraw/zinc/08/89/74/222088974.db2.gz GBIMFYJTIOSZJD-UHFFFAOYSA-N 0 0 394.434 4.665 50 0 GJAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000064969103 222090985 /nfs/dbraw/zinc/09/09/85/222090985.db2.gz IIQDJOWVPMSGHM-UHFFFAOYSA-N 0 0 385.467 4.520 50 0 GJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000064984309 222091829 /nfs/dbraw/zinc/09/18/29/222091829.db2.gz PTTMYKNATGOLKF-OAQYLSRUSA-N 0 0 387.545 4.926 50 0 GJAARN COc1cccc(OC(=O)c2cn(-c3ccc(C)cc3)c(=O)c3ccccc23)c1 ZINC000064977193 222092241 /nfs/dbraw/zinc/09/22/41/222092241.db2.gz OVZGYZMUERRGIM-UHFFFAOYSA-N 0 0 385.419 4.527 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1ccn2c(c1)nnc2-c1cc(F)cc(F)c1 ZINC000065296455 222121523 /nfs/dbraw/zinc/12/15/23/222121523.db2.gz SLMNSZTVOFGBTQ-UHFFFAOYSA-N 0 0 398.800 4.889 50 0 GJAARN Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn32)cc1Br ZINC000065323363 222123303 /nfs/dbraw/zinc/12/33/03/222123303.db2.gz CCZHQFMOBFUIFK-UHFFFAOYSA-N 0 0 395.260 4.916 50 0 GJAARN O=C(NCc1ccccc1)Nc1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000065330172 222124372 /nfs/dbraw/zinc/12/43/72/222124372.db2.gz WHBNBZPCHOUDOM-UHFFFAOYSA-N 0 0 376.441 4.787 50 0 GJAARN Cc1c(NCc2ccccn2)cccc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000065452468 222129310 /nfs/dbraw/zinc/12/93/10/222129310.db2.gz RADFQFIXRJPCBM-UHFFFAOYSA-N 0 0 383.854 4.725 50 0 GJAARN CS[C@H](C)Cc1c(-c2ccccc2)ncn1Cc1noc(C2CCCC2)n1 ZINC000065432990 222129801 /nfs/dbraw/zinc/12/98/01/222129801.db2.gz WFNGZVAFNHCZMB-OAHLLOKOSA-N 0 0 382.533 4.933 50 0 GJAARN C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)CC(C)(C)O1 ZINC000065466590 222131715 /nfs/dbraw/zinc/13/17/15/222131715.db2.gz ZBHFGXRLCKIUTB-CYBMUJFWSA-N 0 0 375.856 4.559 50 0 GJAARN COc1ccc([C@@H](C)Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288310 222143276 /nfs/dbraw/zinc/14/32/76/222143276.db2.gz BXISLVQNTMDFJH-OAHLLOKOSA-N 0 0 393.462 4.792 50 0 GJAARN Cc1ccc(-c2cc3c(SCC(=O)NC4CCCCC4)nccn3n2)cc1C ZINC000067289647 222143334 /nfs/dbraw/zinc/14/33/34/222143334.db2.gz NEEHVSXHZWSJNC-UHFFFAOYSA-N 0 0 394.544 4.554 50 0 GJAARN CCOc1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c1 ZINC000067262179 222143551 /nfs/dbraw/zinc/14/35/51/222143551.db2.gz XQMWSHJAATUFDB-UHFFFAOYSA-N 0 0 395.466 4.955 50 0 GJAARN COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C)n1 ZINC000067296693 222144833 /nfs/dbraw/zinc/14/48/33/222144833.db2.gz YOWYPEKFRKFPLE-BZZOAKBMSA-N 0 0 385.423 4.630 50 0 GJAARN Cc1ccccc1CN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000067758045 222158404 /nfs/dbraw/zinc/15/84/04/222158404.db2.gz UTXCWRIETIFANU-UHFFFAOYSA-N 0 0 388.826 4.627 50 0 GJAARN CCC[C@@H]1CCN(C(=O)c2coc(COc3ccc4ccc(OC)cc4c3)n2)C1 ZINC000067784388 222159665 /nfs/dbraw/zinc/15/96/65/222159665.db2.gz 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/nfs/dbraw/zinc/22/10/37/570221037.db2.gz CLGFRHADUHBLOP-NSHDSACASA-N 0 0 378.514 4.874 50 0 GJAARN Cc1occc1C(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000012800405 570221529 /nfs/dbraw/zinc/22/15/29/570221529.db2.gz NSGIOPOAVGELQV-UHFFFAOYSA-N 0 0 379.456 4.756 50 0 GJAARN CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000000753558 570221954 /nfs/dbraw/zinc/22/19/54/570221954.db2.gz DYYKZPPGHGAPTG-QGZVFWFLSA-N 0 0 397.302 4.745 50 0 GJAARN COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2cccnc2)cc1 ZINC000019823837 570222912 /nfs/dbraw/zinc/22/29/12/570222912.db2.gz ZNWFLICDVRGCOZ-UHFFFAOYSA-N 0 0 388.496 4.939 50 0 GJAARN CC(C)CC(=O)Nc1ccc(C2=NNC(=Nc3ccccc3F)SC2)cc1 ZINC000006049395 570223976 /nfs/dbraw/zinc/22/39/76/570223976.db2.gz BLNYCTNCPVZJAN-UHFFFAOYSA-N 0 0 384.480 4.729 50 0 GJAARN CCCCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000019879840 570227003 /nfs/dbraw/zinc/22/70/03/570227003.db2.gz LZDIKMLPJKXVJI-SFHVURJKSA-N 0 0 378.303 4.763 50 0 GJAARN COc1ccc(-c2cc(CSCC(=O)Nc3ccc4c(c3)CCC4)on2)cc1 ZINC000012813518 570227645 /nfs/dbraw/zinc/22/76/45/570227645.db2.gz GDSPRCLJGVNPHY-UHFFFAOYSA-N 0 0 394.496 4.711 50 0 GJAARN O=C(Nc1ccccc1OCCc1ccccc1)c1ccn(-c2ccccc2)n1 ZINC000048287578 570227792 /nfs/dbraw/zinc/22/77/92/570227792.db2.gz OJIGHEFJVQULPN-UHFFFAOYSA-N 0 0 383.451 4.746 50 0 GJAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000048289990 570228851 /nfs/dbraw/zinc/22/88/51/570228851.db2.gz MXMVDDYKILTRCP-UHFFFAOYSA-N 0 0 376.485 4.814 50 0 GJAARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1-2)c1ccc(Cl)cc1 ZINC000011565725 570229163 /nfs/dbraw/zinc/22/91/63/570229163.db2.gz WHQOTTSBZDZCLW-UHFFFAOYSA-N 0 0 376.795 4.591 50 0 GJAARN Cc1ccc(Nc2nnc(COc3ccc4oc(=O)cc(C)c4c3)s2)cc1 ZINC000019923629 570229623 /nfs/dbraw/zinc/22/96/23/570229623.db2.gz XEPCTDCMMIIPSA-UHFFFAOYSA-N 0 0 379.441 4.584 50 0 GJAARN CCCCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(C)C ZINC000011565921 570229816 /nfs/dbraw/zinc/22/98/16/570229816.db2.gz OEAUWUPXQCHCHR-UHFFFAOYSA-N 0 0 375.534 4.858 50 0 GJAARN COc1ccccc1NC(=O)CSc1nc(C)nc2sc3c(c21)CCCC3 ZINC000001465477 570231872 /nfs/dbraw/zinc/23/18/72/570231872.db2.gz QAMRCWFFOFDMBK-UHFFFAOYSA-N 0 0 399.541 4.618 50 0 GJAARN C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000012818402 570232007 /nfs/dbraw/zinc/23/20/07/570232007.db2.gz KHDYGJPZOLRSLZ-BBATYDOGSA-N 0 0 381.278 4.803 50 0 GJAARN CCOc1cc(NC(=O)C(C)(C)C)c(OCC)cc1NC(=O)c1ccccc1 ZINC000000959521 570232217 /nfs/dbraw/zinc/23/22/17/570232217.db2.gz NICFVLHKFITHSI-UHFFFAOYSA-N 0 0 384.476 4.721 50 0 GJAARN O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011585891 570232269 /nfs/dbraw/zinc/23/22/69/570232269.db2.gz DYJNUNVSRFOURI-MRXNPFEDSA-N 0 0 390.270 4.612 50 0 GJAARN Cc1ccc([C@H](NC(=O)COCc2nc3ccccc3s2)C(F)(F)F)cc1 ZINC000048304104 570232234 /nfs/dbraw/zinc/23/22/34/570232234.db2.gz IHIVRDDDNOHRDC-SFHVURJKSA-N 0 0 394.418 4.541 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1C[C@@H]1CCCO1 ZINC000006067174 570232875 /nfs/dbraw/zinc/23/28/75/570232875.db2.gz YBNSJRVQAVDZBI-HNNXBMFYSA-N 0 0 386.904 4.521 50 0 GJAARN O=C(CCSc1nc2cc(Cl)ccc2s1)Nc1ccc2c(c1)OCO2 ZINC000019957125 570233375 /nfs/dbraw/zinc/23/33/75/570233375.db2.gz FGFTWCYACMWQPJ-UHFFFAOYSA-N 0 0 392.889 4.799 50 0 GJAARN COc1ccc2cc(C(=O)N3CCC[C@@H](c4nc(C(C)C)cs4)C3)[nH]c2c1 ZINC000072297217 570233531 /nfs/dbraw/zinc/23/35/31/570233531.db2.gz UQCZWYOOEBUDOZ-OAHLLOKOSA-N 0 0 383.517 4.776 50 0 GJAARN CCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000004816648 570233739 /nfs/dbraw/zinc/23/37/39/570233739.db2.gz ROJUQYRBGAWEOD-RBUKOAKNSA-N 0 0 380.879 4.799 50 0 GJAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F ZINC000048300516 570234027 /nfs/dbraw/zinc/23/40/27/570234027.db2.gz OIFONJVFCFTCKC-UHFFFAOYSA-N 0 0 396.397 4.667 50 0 GJAARN O=C(Nc1ccc(F)cc1Cl)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364527 570235527 /nfs/dbraw/zinc/23/55/27/570235527.db2.gz HJXWRMAONHNVJF-HNNXBMFYSA-N 0 0 382.822 4.638 50 0 GJAARN CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816684 570235606 /nfs/dbraw/zinc/23/56/06/570235606.db2.gz NQIXQQBPOCKYCC-ZWKOTPCHSA-N 0 0 387.270 4.672 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023312136 570237415 /nfs/dbraw/zinc/23/74/15/570237415.db2.gz OOJLZPQNGCTAGL-HXOBKFHXSA-N 0 0 375.443 4.767 50 0 GJAARN COc1ccc(Nc2ccccc2C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000048332633 570237402 /nfs/dbraw/zinc/23/74/02/570237402.db2.gz WBNJYBDHHZGSEL-AWEZNQCLSA-N 0 0 378.394 4.853 50 0 GJAARN Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1CCC1=CCCCC1 ZINC000006082200 570238529 /nfs/dbraw/zinc/23/85/29/570238529.db2.gz IBZOJCWLYHOVFI-UHFFFAOYSA-N 0 0 395.499 4.527 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001473347 570239857 /nfs/dbraw/zinc/23/98/57/570239857.db2.gz QJELWXSSSGPXFN-UHFFFAOYSA-N 0 0 388.467 4.598 50 0 GJAARN C[C@@H](Oc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cn1)c1ccccc1 ZINC000048353981 570240946 /nfs/dbraw/zinc/24/09/46/570240946.db2.gz KWQSERJPHZKNOP-OAHLLOKOSA-N 0 0 390.439 4.981 50 0 GJAARN Clc1cc(Cl)c2nnc(SCc3ncc(-c4ccccc4)o3)n2c1 ZINC000006099457 570243262 /nfs/dbraw/zinc/24/32/62/570243262.db2.gz ZTSNHVAKRHFGSP-UHFFFAOYSA-N 0 0 377.256 4.983 50 0 GJAARN Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C ZINC000001146474 570248853 /nfs/dbraw/zinc/24/88/53/570248853.db2.gz BJFBRVXDTAOWNK-UHFFFAOYSA-N 0 0 380.469 4.635 50 0 GJAARN Nc1ccc2nc(SCC(=O)n3c4c(c5c3CCCC5)CCCC4)sc2c1 ZINC000001160617 570251825 /nfs/dbraw/zinc/25/18/25/570251825.db2.gz TVIVPINICMILHI-UHFFFAOYSA-N 0 0 397.569 4.870 50 0 GJAARN O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000001161654 570252061 /nfs/dbraw/zinc/25/20/61/570252061.db2.gz XXRALQMOYBZHSU-HSZRJFAPSA-N 0 0 387.866 4.980 50 0 GJAARN O=C(CCSc1nc2ccccc2o1)Nc1ccc(Br)cc1 ZINC000001174992 570254039 /nfs/dbraw/zinc/25/40/39/570254039.db2.gz XKZACQHNEQHTNG-UHFFFAOYSA-N 0 0 377.263 4.711 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCc1ccccc1F)CO2 ZINC000020412328 570254792 /nfs/dbraw/zinc/25/47/92/570254792.db2.gz BNDKWLOPMIZSKI-UHFFFAOYSA-N 0 0 393.458 4.514 50 0 GJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Cl)cn1 ZINC000001181453 570255570 /nfs/dbraw/zinc/25/55/70/570255570.db2.gz ASQZNXMAKSOHPS-QHHAFSJGSA-N 0 0 386.691 4.568 50 0 GJAARN Cc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)c(F)c1 ZINC000049007043 570258341 /nfs/dbraw/zinc/25/83/41/570258341.db2.gz MCOLTAYBLKFWBF-UHFFFAOYSA-N 0 0 385.439 4.769 50 0 GJAARN Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C)cc(-c2ccccn2)n1 ZINC000049007158 570258397 /nfs/dbraw/zinc/25/83/97/570258397.db2.gz OZQJVQQQTJRWJT-UHFFFAOYSA-N 0 0 384.892 4.540 50 0 GJAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001406994 570262157 /nfs/dbraw/zinc/26/21/57/570262157.db2.gz IEQZOGHYZDJHIR-UHFFFAOYSA-N 0 0 386.407 4.703 50 0 GJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4CC(C)C)cc1 ZINC000085879177 570263676 /nfs/dbraw/zinc/26/36/76/570263676.db2.gz WBCQLYOJYJQDBX-CQSZACIVSA-N 0 0 394.423 4.613 50 0 biogenic GJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4CC(C)C)cc1 ZINC000085879179 570263768 /nfs/dbraw/zinc/26/37/68/570263768.db2.gz WBCQLYOJYJQDBX-AWEZNQCLSA-N 0 0 394.423 4.613 50 0 biogenic GJAARN CCc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000006124683 570264151 /nfs/dbraw/zinc/26/41/51/570264151.db2.gz VYIWQLNVMTVHEE-UHFFFAOYSA-N 0 0 398.484 4.651 50 0 GJAARN COc1cccc(N2C[C@H](C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c1 ZINC000012848634 570265626 /nfs/dbraw/zinc/26/56/26/570265626.db2.gz JMLVQOLUCVOTIE-QGZVFWFLSA-N 0 0 394.515 4.934 50 0 GJAARN Cc1cccc(NC(=O)c2ccc([C@@H]3CCCN3C(=O)c3ccon3)s2)c1C ZINC000020538424 570266360 /nfs/dbraw/zinc/26/63/60/570266360.db2.gz SXUUAECNECWHAA-KRWDZBQOSA-N 0 0 395.484 4.583 50 0 GJAARN Cc1ccc(-c2nn(CN(Cc3ccc(F)cc3)C3CC3)c(=S)n2C)cc1 ZINC000012852786 570266574 /nfs/dbraw/zinc/26/65/74/570266574.db2.gz CBCFGXFQJPEJOH-UHFFFAOYSA-N 0 0 382.508 4.688 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3cc(F)ccc3Br)o2)cs1 ZINC000012862507 570268539 /nfs/dbraw/zinc/26/85/39/570268539.db2.gz PAEWPARUOHKACC-UHFFFAOYSA-N 0 0 395.253 4.543 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c1 ZINC000001807749 570268937 /nfs/dbraw/zinc/26/89/37/570268937.db2.gz YUFGEZGRTNQGFG-UHFFFAOYSA-N 0 0 392.451 4.698 50 0 biogenic GJAARN COc1cccc(-c2cc(CC(=O)Nc3ccccc3C(F)(F)F)no2)c1 ZINC000012865595 570269093 /nfs/dbraw/zinc/26/90/93/570269093.db2.gz YGAUSAGXKUWSSV-UHFFFAOYSA-N 0 0 376.334 4.550 50 0 GJAARN COc1ccc2sc(NC(=O)CSc3nc4ccccc4s3)nc2c1 ZINC000045068059 570271740 /nfs/dbraw/zinc/27/17/40/570271740.db2.gz IJQCGEGYPAFLJK-UHFFFAOYSA-N 0 0 387.511 4.645 50 0 GJAARN COc1cc(/C=C/C(=O)OCc2csc(Nc3ccc(C)cc3)n2)ccc1O ZINC000005620566 570271929 /nfs/dbraw/zinc/27/19/29/570271929.db2.gz FNUFWWPNRSZVPA-UXBLZVDNSA-N 0 0 396.468 4.666 50 0 GJAARN CCn1ncc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(OC)cc4)c3n2)c1C ZINC000020615357 570272404 /nfs/dbraw/zinc/27/24/04/570272404.db2.gz HIFURMOJKRNCER-UHFFFAOYSA-N 0 0 397.429 4.867 50 0 GJAARN CCOC(=O)c1ccc2c(c1)nc(Cc1ccc(Br)cc1)n2CC ZINC000005657732 570272579 /nfs/dbraw/zinc/27/25/79/570272579.db2.gz HQMZYTTULFEFFF-UHFFFAOYSA-N 0 0 387.277 4.586 50 0 GJAARN Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1 ZINC000006137766 570276156 /nfs/dbraw/zinc/27/61/56/570276156.db2.gz LIPFCVDIRYXUPK-HXUWFJFHSA-N 0 0 386.480 4.593 50 0 GJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002145478 570276195 /nfs/dbraw/zinc/27/61/95/570276195.db2.gz XZWCCCUDGYMPKD-UHFFFAOYSA-N 0 0 380.872 4.785 50 0 GJAARN CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000002172465 570276937 /nfs/dbraw/zinc/27/69/37/570276937.db2.gz PTQUKBMUTQLNFH-UHFFFAOYSA-N 0 0 396.531 4.589 50 0 GJAARN Cc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nnn1-c1ccccc1Cl ZINC000020729749 570277312 /nfs/dbraw/zinc/27/73/12/570277312.db2.gz SGYLREPJKMUQJR-UHFFFAOYSA-N 0 0 386.242 4.523 50 0 GJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(Cc1ccccc1)n2CCCC ZINC000006167887 570279462 /nfs/dbraw/zinc/27/94/62/570279462.db2.gz ZUUROVIAAGEWJJ-UHFFFAOYSA-N 0 0 399.560 4.506 50 0 GJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc(Cl)cc1 ZINC000002256977 570280471 /nfs/dbraw/zinc/28/04/71/570280471.db2.gz PUBHYXKRYWBWAE-UHFFFAOYSA-N 0 0 376.795 4.591 50 0 GJAARN CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@H]2C[C@@H]4C=C[C@H]2C4)O3)cc1 ZINC000012279634 570280580 /nfs/dbraw/zinc/28/05/80/570280580.db2.gz GDWUAEWYQHOXPI-NITZCXFCSA-N 0 0 391.536 4.707 50 0 GJAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C(C)(C)C ZINC000002274932 570280861 /nfs/dbraw/zinc/28/08/61/570280861.db2.gz YUHMWBGGGBZGNL-FQEVSTJZSA-N 0 0 399.878 4.591 50 0 GJAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccccc1C(F)(F)F ZINC000002303140 570281926 /nfs/dbraw/zinc/28/19/26/570281926.db2.gz WJEWGZBHLSXMKI-UHFFFAOYSA-N 0 0 385.695 4.521 50 0 GJAARN COc1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1O ZINC000020851440 570282321 /nfs/dbraw/zinc/28/23/21/570282321.db2.gz JZTWOIIJMZTFDH-CQSZACIVSA-N 0 0 398.256 4.791 50 0 GJAARN CCCCn1c(CCC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000002393104 570285564 /nfs/dbraw/zinc/28/55/64/570285564.db2.gz MIYFUTOPWBNFQQ-UHFFFAOYSA-N 0 0 385.533 4.610 50 0 GJAARN c1c([C@H]2COc3ccccc3O2)sc2ncnc(NCc3ccccc3)c12 ZINC000000658275 570285765 /nfs/dbraw/zinc/28/57/65/570285765.db2.gz VYVRQQCFEMQDBM-GOSISDBHSA-N 0 0 375.453 4.816 50 0 GJAARN CCOc1cccc(-c2nnc3sc(-c4ccc(N(CC)CC)cc4)nn32)c1 ZINC000002409451 570286166 /nfs/dbraw/zinc/28/61/66/570286166.db2.gz FPAGSRUNMIVKBP-UHFFFAOYSA-N 0 0 393.516 4.765 50 0 GJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc21 ZINC000002443796 570287235 /nfs/dbraw/zinc/28/72/35/570287235.db2.gz VIOLUUILROGECM-HSZRJFAPSA-N 0 0 388.854 4.604 50 0 GJAARN COc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 ZINC000001421626 570288041 /nfs/dbraw/zinc/28/80/41/570288041.db2.gz AABLBZTUIDAHIZ-OEHGHSTBSA-N 0 0 386.451 4.643 50 0 GJAARN O=C(Cc1csc(-c2cccs2)n1)NCc1ccc(OC(F)(F)F)cc1 ZINC000012901360 570288558 /nfs/dbraw/zinc/28/85/58/570288558.db2.gz ZPZWRMRDRSBCOG-UHFFFAOYSA-N 0 0 398.431 4.629 50 0 GJAARN CC(C)(C)c1csc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)n1 ZINC000014094264 570289212 /nfs/dbraw/zinc/28/92/12/570289212.db2.gz YJUOLAJAFINBCA-UHFFFAOYSA-N 0 0 375.494 4.884 50 0 GJAARN CC1(C)COC(CCCC(=O)c2ccc(Cl)c(Br)c2)OC1 ZINC000002518167 570289771 /nfs/dbraw/zinc/28/97/71/570289771.db2.gz HTIWLMHMBRSJQD-UHFFFAOYSA-N 0 0 375.690 4.855 50 0 GJAARN O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102622273 570290582 /nfs/dbraw/zinc/29/05/82/570290582.db2.gz CEDCQJIFBBYFNV-QGTPRVQTSA-N 0 0 384.273 4.522 50 0 GJAARN Cc1c(NC(=O)c2cccc(Oc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000002561957 570290884 /nfs/dbraw/zinc/29/08/84/570290884.db2.gz YHZZKPLSWJODRH-UHFFFAOYSA-N 0 0 399.450 4.529 50 0 GJAARN Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000021423695 570291041 /nfs/dbraw/zinc/29/10/41/570291041.db2.gz JXSCJNLAKPCTSC-XSXQVXRUSA-N 0 0 388.529 4.737 50 0 GJAARN C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012909111 570291203 /nfs/dbraw/zinc/29/12/03/570291203.db2.gz CLJBSRIKGZFGFB-VOJFVSQTSA-N 0 0 381.278 4.803 50 0 GJAARN Fc1ccc(OCc2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1 ZINC000021605420 570293190 /nfs/dbraw/zinc/29/31/90/570293190.db2.gz GVSGFUUSDREMNE-UHFFFAOYSA-N 0 0 388.449 4.532 50 0 GJAARN COC(=O)c1ccc2c(c1)nc(C(Cl)=Cc1ccc3ccccc3c1)[nH]c2=O ZINC000021191322 570293264 /nfs/dbraw/zinc/29/32/64/570293264.db2.gz WDXCQATYJIWYMI-WQRHYEAKSA-N 0 0 390.826 4.600 50 0 GJAARN COc1cccc(CN(C)C(=O)c2sc3ccccc3c2Cl)c1OC ZINC000021635846 570293548 /nfs/dbraw/zinc/29/35/48/570293548.db2.gz WSYFLCAHLBPSBX-UHFFFAOYSA-N 0 0 375.877 4.844 50 0 GJAARN O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1ccccc1C(F)(F)F ZINC000021661902 570294204 /nfs/dbraw/zinc/29/42/04/570294204.db2.gz OCVALRDJLVNMFG-UHFFFAOYSA-N 0 0 398.306 4.996 50 0 GJAARN CCCc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccc(OCC)cc2)no1 ZINC000021720009 570294913 /nfs/dbraw/zinc/29/49/13/570294913.db2.gz 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COc1ccc(-c2nc3ccccn3c2NC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000034915087 570344358 /nfs/dbraw/zinc/34/43/58/570344358.db2.gz IEHYBQYDKCDVSP-UHFFFAOYSA-N 0 0 394.381 4.932 50 0 GJAARN CCSc1nnc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000006232393 570345052 /nfs/dbraw/zinc/34/50/52/570345052.db2.gz UWFGYKXJCORIEQ-UHFFFAOYSA-N 0 0 398.724 4.628 50 0 GJAARN Cc1ccc(CSCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006233847 570346062 /nfs/dbraw/zinc/34/60/62/570346062.db2.gz GRPCLMNIUJHWMZ-UHFFFAOYSA-N 0 0 390.357 4.514 50 0 GJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2ccc(C)cc2)nc1 ZINC000006238431 570346547 /nfs/dbraw/zinc/34/65/47/570346547.db2.gz SANWFSQMNCSGQT-UHFFFAOYSA-N 0 0 384.526 4.756 50 0 GJAARN COc1ccc2oc(-c3csc(NC(=O)COc4ccccc4)n3)cc2c1 ZINC000010883454 570346666 /nfs/dbraw/zinc/34/66/66/570346666.db2.gz QHKRMJHOQUKANY-UHFFFAOYSA-N 0 0 380.425 4.582 50 0 GJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NC4CCCCCC4)C3)nn2)cc1 ZINC000035398064 570349381 /nfs/dbraw/zinc/34/93/81/570349381.db2.gz HWWUTPSWVVWDJC-FQEVSTJZSA-N 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/nfs/dbraw/zinc/35/32/82/570353282.db2.gz AZJHWRPXZRNHGE-RHSMWYFYSA-N 0 0 393.668 4.872 50 0 GJAARN CCCCn1c2ccccc2nc1-c1nonc1NC(=O)c1ccccc1Cl ZINC000004004717 570354146 /nfs/dbraw/zinc/35/41/46/570354146.db2.gz NSLBZDNWVDLYQI-UHFFFAOYSA-N 0 0 395.850 4.792 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)C13CC4CC(CC(C4)C1)C3)CCCC2 ZINC000004030651 570354944 /nfs/dbraw/zinc/35/49/44/570354944.db2.gz KFAHCXHRNCAASD-UHFFFAOYSA-N 0 0 387.545 4.959 50 0 GJAARN CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004883073 570355960 /nfs/dbraw/zinc/35/59/60/570355960.db2.gz XQAHCGBBDJSEJB-LICLKQGHSA-N 0 0 390.867 4.985 50 0 GJAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000390826495 570356504 /nfs/dbraw/zinc/35/65/04/570356504.db2.gz MRFZNGUCTDHGCT-IBGZPJMESA-N 0 0 397.500 4.869 50 0 GJAARN Cc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000035429711 570357528 /nfs/dbraw/zinc/35/75/28/570357528.db2.gz CAYIJJJELXQAIL-UHFFFAOYSA-N 0 0 382.467 4.920 50 0 GJAARN O=C(NCCCc1ccccc1)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000035429896 570357949 /nfs/dbraw/zinc/35/79/49/570357949.db2.gz JIAXRRAPYCEPJS-UHFFFAOYSA-N 0 0 382.467 4.736 50 0 GJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@@H]4C)c(C)c3C(=O)C2)cc1 ZINC000004134284 570358965 /nfs/dbraw/zinc/35/89/65/570358965.db2.gz WAMNGGJBOLUWGH-RISOHXOYSA-N 0 0 381.472 4.590 50 0 GJAARN O=C(Nc1ccccc1C(=O)NCc1cccs1)c1nsc2ccccc21 ZINC000035447691 570361188 /nfs/dbraw/zinc/36/11/88/570361188.db2.gz KAQCHYIINUFWAC-UHFFFAOYSA-N 0 0 393.493 4.540 50 0 GJAARN CC(=O)c1c(C)cc(C)c(CSCc2cc(=O)n3c(C)csc3n2)c1C ZINC000023415465 570361781 /nfs/dbraw/zinc/36/17/81/570361781.db2.gz PFDIMYLVTHJIKA-UHFFFAOYSA-N 0 0 386.542 4.626 50 0 GJAARN COc1ccccc1CNC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000006288628 570362236 /nfs/dbraw/zinc/36/22/36/570362236.db2.gz HNHCVVIKSAWDGZ-UHFFFAOYSA-N 0 0 377.509 4.834 50 0 GJAARN CC(=O)c1ccccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000023437110 570362587 /nfs/dbraw/zinc/36/25/87/570362587.db2.gz FFKWPJSOOOOMDG-UHFFFAOYSA-N 0 0 384.432 4.625 50 0 GJAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1csc(-c2ccccc2)n1 ZINC000390830008 570363132 /nfs/dbraw/zinc/36/31/32/570363132.db2.gz ICOLZLLYDDHWGG-INIZCTEOSA-N 0 0 396.493 4.595 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2Br)nc1 ZINC000004917405 570365416 /nfs/dbraw/zinc/36/54/16/570365416.db2.gz OKRVAOKYWHFBLQ-IBGZPJMESA-N 0 0 394.272 4.924 50 0 GJAARN CCOC(=O)c1ccc(N2C[C@@H]3CCCCN3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000004299705 570366523 /nfs/dbraw/zinc/36/65/23/570366523.db2.gz LGTQIXLILPASPB-SFTDATJTSA-N 0 0 384.907 4.890 50 0 GJAARN Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc2c(c1)OCO2 ZINC000004921919 570369691 /nfs/dbraw/zinc/36/96/91/570369691.db2.gz XPRVECJCYKJVKC-UHFFFAOYSA-N 0 0 379.803 4.833 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000004925678 570370846 /nfs/dbraw/zinc/37/08/46/570370846.db2.gz QCVGKJHBQNIQDQ-UHFFFAOYSA-N 0 0 396.512 4.736 50 0 GJAARN CC(C)NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccccc1Cl)S2 ZINC000004932268 570373000 /nfs/dbraw/zinc/37/30/00/570373000.db2.gz DCMXNFJZCLWBKX-WQRHYEAKSA-N 0 0 386.904 4.588 50 0 GJAARN CN1c2cc(C(=O)N3CCCCC3)ccc2S/C(=C\c2ccccc2F)C1=O ZINC000004932082 570373075 /nfs/dbraw/zinc/37/30/75/570373075.db2.gz DOMJHSBUYAWGCQ-ZHZULCJRSA-N 0 0 396.487 4.561 50 0 GJAARN CC(C)n1c(=O)[nH]c2cc(-c3noc(/C=C/c4ccccc4Cl)n3)ccc21 ZINC000035482003 570373861 /nfs/dbraw/zinc/37/38/61/570373861.db2.gz OJZYCJNMEBJZCJ-CSKARUKUSA-N 0 0 380.835 4.784 50 0 GJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)[C@@H]1C ZINC000004934033 570374335 /nfs/dbraw/zinc/37/43/35/570374335.db2.gz HHGPQTGILUJUHV-NFAWXSAZSA-N 0 0 393.603 4.696 50 0 GJAARN Cc1ccccc1/N=c1\oc2ccccc2cc1S(=O)(=O)c1ccccc1 ZINC000004937694 570374616 /nfs/dbraw/zinc/37/46/16/570374616.db2.gz GFBFIARSTVCEDV-FCQUAONHSA-N 0 0 375.449 4.806 50 0 GJAARN COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O ZINC000004419857 570374624 /nfs/dbraw/zinc/37/46/24/570374624.db2.gz CAZLJHYHPVRSPD-GXDHUFHOSA-N 0 0 384.435 4.579 50 0 GJAARN O=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2c(F)cc(F)cc2c1=O ZINC000004936957 570376011 /nfs/dbraw/zinc/37/60/11/570376011.db2.gz SMYCYSYYZPFNCI-UHFFFAOYSA-N 0 0 393.364 4.698 50 0 GJAARN O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000008379281 570376443 /nfs/dbraw/zinc/37/64/43/570376443.db2.gz QEYKJYIVKTWOEO-UHFFFAOYSA-N 0 0 388.899 4.612 50 0 GJAARN CCOc1ccc(OCC(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc1 ZINC000022769031 570376895 /nfs/dbraw/zinc/37/68/95/570376895.db2.gz NGEXJKLIKSKKJH-UHFFFAOYSA-N 0 0 393.395 4.609 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1 ZINC000024050790 570377918 /nfs/dbraw/zinc/37/79/18/570377918.db2.gz VUROBHXBOBRNHH-UHFFFAOYSA-N 0 0 385.423 4.926 50 0 GJAARN CCOc1ccccc1N[C@H]1c2ccccc2C(=O)N1c1ccc(Cl)cn1 ZINC000004960661 570382497 /nfs/dbraw/zinc/38/24/97/570382497.db2.gz CMLAGTOSUJRJLG-HXUWFJFHSA-N 0 0 379.847 4.905 50 0 GJAARN Cc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCC3)cc1 ZINC000004538383 570382613 /nfs/dbraw/zinc/38/26/13/570382613.db2.gz QSSYIYGFNKPASN-UHFFFAOYSA-N 0 0 390.508 4.979 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000024393556 570383580 /nfs/dbraw/zinc/38/35/80/570383580.db2.gz VSJGJPIFKRMGKN-FQEVSTJZSA-N 0 0 381.472 4.614 50 0 GJAARN CC(C)n1ncc2cc(C(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)cnc21 ZINC000012979011 570385966 /nfs/dbraw/zinc/38/59/66/570385966.db2.gz RKBXLLYCQXDLBU-LJQANCHMSA-N 0 0 394.475 4.732 50 0 GJAARN O=C(CSCc1ccccc1)NCc1ccc(C(=O)c2cccs2)s1 ZINC000090610573 570386762 /nfs/dbraw/zinc/38/67/62/570386762.db2.gz JVUZHWRFYWUQQW-UHFFFAOYSA-N 0 0 387.551 4.590 50 0 GJAARN Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000004611132 570387259 /nfs/dbraw/zinc/38/72/59/570387259.db2.gz PPLDCVQNLICLGC-CPNJWEJPSA-N 0 0 380.831 4.651 50 0 GJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc2ccccc2c1 ZINC000004610412 570387363 /nfs/dbraw/zinc/38/73/63/570387363.db2.gz HRGWRXGAPYZJAT-UHFFFAOYSA-N 0 0 399.402 4.725 50 0 GJAARN O=C(/C=C/c1ccccc1Cl)NCc1ccc([C@@H](O)c2cccs2)s1 ZINC000090613601 570387310 /nfs/dbraw/zinc/38/73/10/570387310.db2.gz IIEIFAPHSQKUCJ-VQFGERMISA-N 0 0 389.929 4.874 50 0 GJAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cccc2ccccc21 ZINC000090613561 570387401 /nfs/dbraw/zinc/38/74/01/570387401.db2.gz RHWAKUAGTQVKER-HXUWFJFHSA-N 0 0 379.506 4.975 50 0 GJAARN O=C(/C=C/c1ccccc1Cl)NCC(O)(c1cccs1)c1cccs1 ZINC000090617131 570387676 /nfs/dbraw/zinc/38/76/76/570387676.db2.gz XROIHEMYGMFCLO-MDZDMXLPSA-N 0 0 389.929 4.529 50 0 GJAARN Cc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)c(C)s1 ZINC000035511545 570388353 /nfs/dbraw/zinc/38/83/53/570388353.db2.gz NAVJUQIRJPPUEN-INIZCTEOSA-N 0 0 399.903 4.821 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(-c2cc(NC3CCCCC3)ncn2)c1 ZINC000035511888 570388684 /nfs/dbraw/zinc/38/86/84/570388684.db2.gz ANMNDGSAYPMZKM-UHFFFAOYSA-N 0 0 386.499 4.818 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OCC)cc3s2)cc1 ZINC000006323348 570388843 /nfs/dbraw/zinc/38/88/43/570388843.db2.gz DWHQGUFIFOOPQR-UHFFFAOYSA-N 0 0 398.484 4.904 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OCC)cc3s2)c1 ZINC000006323580 570388996 /nfs/dbraw/zinc/38/89/96/570388996.db2.gz XOBXKJRUOHGMGB-UHFFFAOYSA-N 0 0 398.484 4.904 50 0 GJAARN CC(=O)Oc1cccc2ccc(/C=C/c3cn(C(C)=O)nc3-c3ccccc3)nc21 ZINC000004631199 570389016 /nfs/dbraw/zinc/38/90/16/570389016.db2.gz WUSGTEYLHYLBEJ-WYMLVPIESA-N 0 0 397.434 4.854 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 ZINC000004632160 570389063 /nfs/dbraw/zinc/38/90/63/570389063.db2.gz UPEVFCGKJSUQBR-QFIPXVFZSA-N 0 0 380.451 4.964 50 0 GJAARN O=C(NC1CCCC1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000035514267 570389243 /nfs/dbraw/zinc/38/92/43/570389243.db2.gz VIJZAVHOTBKKKH-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCCC2)cc1C ZINC000004649056 570389430 /nfs/dbraw/zinc/38/94/30/570389430.db2.gz HLEJYGSCKGKDEY-QNGOZBTKSA-N 0 0 396.556 4.975 50 0 GJAARN Cc1ccc(CCNC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)cc1 ZINC000035534868 570390299 /nfs/dbraw/zinc/39/02/99/570390299.db2.gz NYNVMEGOKYQOSU-UHFFFAOYSA-N 0 0 397.931 4.627 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccccc1Cl ZINC000035537633 570390863 /nfs/dbraw/zinc/39/08/63/570390863.db2.gz WZLAGFTXRJGOTI-QGZVFWFLSA-N 0 0 399.922 4.681 50 0 GJAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000024749036 570391248 /nfs/dbraw/zinc/39/12/48/570391248.db2.gz KQOMHGJXBJSQSH-UHFFFAOYSA-N 0 0 391.315 4.746 50 0 GJAARN Cc1ccc(-n2nnnc2SCC(=O)n2c3ccccc3c3ccccc32)cc1 ZINC000004668946 570391762 /nfs/dbraw/zinc/39/17/62/570391762.db2.gz KBDIDMRPKPDLAB-UHFFFAOYSA-N 0 0 399.479 4.511 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)c1 ZINC000035539837 570391958 /nfs/dbraw/zinc/39/19/58/570391958.db2.gz GLOXNRVEGROZNP-UHFFFAOYSA-N 0 0 393.443 4.664 50 0 GJAARN O=C(Cc1ccccc1)Nc1cc(Cl)cc(Br)c1OC(F)F ZINC000024759128 570392032 /nfs/dbraw/zinc/39/20/32/570392032.db2.gz HKMCPUWVMCPWNP-UHFFFAOYSA-N 0 0 390.611 4.885 50 0 GJAARN Cc1cccc(-c2noc([C@H](Cc3ccccc3)NC(=O)C3CCCC3)n2)c1 ZINC000035522313 570392316 /nfs/dbraw/zinc/39/23/16/570392316.db2.gz ANPRAVBHRQAXGR-FQEVSTJZSA-N 0 0 375.472 4.635 50 0 GJAARN O=C(NCCOc1c(F)c(F)c(F)c(F)c1F)Nc1cccc2ccccc21 ZINC000004694594 570393836 /nfs/dbraw/zinc/39/38/36/570393836.db2.gz ANKOVPUACIWSDJ-UHFFFAOYSA-N 0 0 396.315 4.736 50 0 GJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000032759953 570393905 /nfs/dbraw/zinc/39/39/05/570393905.db2.gz JUTPCJNPEDRWSE-QFIPXVFZSA-N 0 0 385.467 4.674 50 0 GJAARN Cn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c1c1ccccc1oc2=O ZINC000005004921 570394365 /nfs/dbraw/zinc/39/43/65/570394365.db2.gz BHAVHROSPIFNPH-UHFFFAOYSA-N 0 0 386.329 4.556 50 0 GJAARN CCCOc1ccc(N2C[C@@H](C(=O)Nc3c(CC)cccc3CC)CC2=O)cc1 ZINC000004700031 570394553 /nfs/dbraw/zinc/39/45/53/570394553.db2.gz JYVQFJWLOJOGBJ-IBGZPJMESA-N 0 0 394.515 4.592 50 0 GJAARN COc1cccc(-c2nn(C)c3sc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc23)c1 ZINC000005006920 570394733 /nfs/dbraw/zinc/39/47/33/570394733.db2.gz FMMYTQAMZNSWCD-HBUWYVDXSA-N 0 0 397.544 4.865 50 0 GJAARN COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccc(C)cc4)cc23)c1 ZINC000005007284 570394869 /nfs/dbraw/zinc/39/48/69/570394869.db2.gz PNQGQBZXWZHUTR-UHFFFAOYSA-N 0 0 391.496 4.549 50 0 GJAARN COc1ccc(OCCOCCOc2c(C)cc(C)cc2Br)cc1 ZINC000004702034 570394946 /nfs/dbraw/zinc/39/49/46/570394946.db2.gz PZITUEKQCWEGFG-UHFFFAOYSA-N 0 0 395.293 4.549 50 0 GJAARN Cc1ccc(/C=C/C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 ZINC000032903821 570396175 /nfs/dbraw/zinc/39/61/75/570396175.db2.gz KRPVWSNEUDDJJH-OFAQMXQXSA-N 0 0 383.442 4.981 50 0 GJAARN COc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 ZINC000004710735 570396627 /nfs/dbraw/zinc/39/66/27/570396627.db2.gz AQMWCJYKRVBHDD-AWEZNQCLSA-N 0 0 379.847 4.795 50 0 GJAARN Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000004711229 570396773 /nfs/dbraw/zinc/39/67/73/570396773.db2.gz UXQVZGNJUNLWNW-UHFFFAOYSA-N 0 0 376.500 4.990 50 0 GJAARN Cc1c(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)sc2nc(C)cc(C)c12 ZINC000024862663 570396820 /nfs/dbraw/zinc/39/68/20/570396820.db2.gz FRNVMXRPUMXFTL-UHFFFAOYSA-N 0 0 395.528 4.549 50 0 GJAARN COc1ccccc1[C@H]1c2cccn2CCN1C(=O)Nc1cccc(C)c1C ZINC000033682722 570397035 /nfs/dbraw/zinc/39/70/35/570397035.db2.gz XAISRUFOZPVKKC-QFIPXVFZSA-N 0 0 375.472 4.751 50 0 GJAARN O=C(CCc1cn(-c2ccccc2)nc1-c1ccccc1)NCCc1ccccc1 ZINC000032975038 570398372 /nfs/dbraw/zinc/39/83/72/570398372.db2.gz BKFOUHFMQDLEOJ-UHFFFAOYSA-N 0 0 395.506 4.831 50 0 GJAARN COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000005024262 570398994 /nfs/dbraw/zinc/39/89/94/570398994.db2.gz JDMIMQPXIOWUTJ-IBGZPJMESA-N 0 0 377.469 4.836 50 0 GJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(C)cc(C)c3)cc2OC)s1 ZINC000033008424 570399112 /nfs/dbraw/zinc/39/91/12/570399112.db2.gz ZWBMKAJTRAOGBU-UHFFFAOYSA-N 0 0 398.488 4.914 50 0 GJAARN CCC(C)(C)c1ccc(OCCCC(=O)n2cnnc2N)c(C(C)(C)CC)c1 ZINC000004734856 570399072 /nfs/dbraw/zinc/39/90/72/570399072.db2.gz CHPPYXWNLHDEAX-UHFFFAOYSA-N 0 0 386.540 4.735 50 0 GJAARN O=C(c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@H]1c1cccs1 ZINC000024974611 570400514 /nfs/dbraw/zinc/40/05/14/570400514.db2.gz YHKJGPCYFCZOIT-FQEVSTJZSA-N 0 0 397.521 4.759 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccco2)cc1 ZINC000004741616 570400953 /nfs/dbraw/zinc/40/09/53/570400953.db2.gz JVBUOAWTOZQZLK-OAQYLSRUSA-N 0 0 384.439 4.865 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 ZINC000004741146 570401038 /nfs/dbraw/zinc/40/10/38/570401038.db2.gz HYBXUASPQNYAQY-UHFFFAOYSA-N 0 0 388.895 4.608 50 0 GJAARN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCc4ccccc43)ncc21 ZINC000004747485 570402042 /nfs/dbraw/zinc/40/20/42/570402042.db2.gz WHWUZVCVDRVYCA-INIZCTEOSA-N 0 0 375.859 4.737 50 0 GJAARN O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1=Cc2ccccc2OC1 ZINC000005034295 570402252 /nfs/dbraw/zinc/40/22/52/570402252.db2.gz ONFYMCLUKJYBNI-UHFFFAOYSA-N 0 0 382.872 4.802 50 0 GJAARN COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)nc3cc(C)ccn32)c1 ZINC000035622070 570403869 /nfs/dbraw/zinc/40/38/69/570403869.db2.gz XVIXSBPBINBCPF-UHFFFAOYSA-N 0 0 375.428 4.776 50 0 GJAARN Cc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CCCCC3)c2)c1 ZINC000033711377 570404296 /nfs/dbraw/zinc/40/42/96/570404296.db2.gz QFCYIDPDRJKGJQ-UHFFFAOYSA-N 0 0 394.519 4.768 50 0 GJAARN Cn1c(=O)c2c3c(sc2nc1SCc1ccccc1Cl)CCCC3 ZINC000005046977 570405966 /nfs/dbraw/zinc/40/59/66/570405966.db2.gz COUOLRXDFRLUSN-UHFFFAOYSA-N 0 0 376.934 4.820 50 0 GJAARN COc1cccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c1OC(F)F ZINC000031109613 570408790 /nfs/dbraw/zinc/40/87/90/570408790.db2.gz ZDIUNAGUPYHMBL-ZHACJKMWSA-N 0 0 385.410 4.626 50 0 GJAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1 ZINC000004823481 570408862 /nfs/dbraw/zinc/40/88/62/570408862.db2.gz AZHOPCMHSLPLCI-UHFFFAOYSA-N 0 0 379.485 4.945 50 0 GJAARN CCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC ZINC000006838703 570409162 /nfs/dbraw/zinc/40/91/62/570409162.db2.gz XJHATWLZNWFUDX-NRFANRHFSA-N 0 0 384.501 4.603 50 0 GJAARN COc1ccc2c(c1)[C@H](SCC(=O)N1CCc3ccccc31)CC(C)(C)O2 ZINC000005065929 570410005 /nfs/dbraw/zinc/41/00/05/570410005.db2.gz ZETXKFVJWJRERH-HXUWFJFHSA-N 0 0 383.513 4.620 50 0 GJAARN CCOc1ccc(Nc2ncccc2C(=O)N(C)Cc2cccc(OC)c2)cc1 ZINC000025494129 570414964 /nfs/dbraw/zinc/41/49/64/570414964.db2.gz ZNGJUIUPBZCOFV-UHFFFAOYSA-N 0 0 391.471 4.505 50 0 GJAARN CC(C)Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1 ZINC000004881277 570415110 /nfs/dbraw/zinc/41/51/10/570415110.db2.gz PSVRWDRPKCNVBX-UHFFFAOYSA-N 0 0 393.274 4.677 50 0 GJAARN Cc1ccc(OCc2nc(CC(=O)N(C)[C@@H](C)c3ccccc3)cs2)cc1 ZINC000025615614 570416954 /nfs/dbraw/zinc/41/69/54/570416954.db2.gz WRPOFHPHXDALCK-KRWDZBQOSA-N 0 0 380.513 4.793 50 0 GJAARN CCOc1ccc([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@@H]4C)c(C)c3C(=O)C2)cc1 ZINC000004912624 570417541 /nfs/dbraw/zinc/41/75/41/570417541.db2.gz GKRYCEUTIPCYTN-LFRPXUGBSA-N 0 0 395.499 4.980 50 0 GJAARN Cc1cc2sc(N3CCC(C(=O)NC4CCCCCC4)CC3)nc2c(C)c1 ZINC000005106812 570418281 /nfs/dbraw/zinc/41/82/81/570418281.db2.gz CQUCQADTUHPYQP-UHFFFAOYSA-N 0 0 385.577 4.969 50 0 GJAARN CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2C(F)(F)F)CC(=O)N1 ZINC000004916846 570418381 /nfs/dbraw/zinc/41/83/81/570418381.db2.gz PZDBEAQDQRYKKF-INIZCTEOSA-N 0 0 395.421 4.849 50 0 GJAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1OC ZINC000025781815 570419504 /nfs/dbraw/zinc/41/95/04/570419504.db2.gz XFZIGCVQWKSTKY-VGOFRKELSA-N 0 0 376.412 4.539 50 0 GJAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)c4cccc(Cl)c4)sc3c2c1 ZINC000004953734 570419844 /nfs/dbraw/zinc/41/98/44/570419844.db2.gz QGGPPVQSMIHAID-UHFFFAOYSA-N 0 0 382.872 4.981 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000026024360 570421540 /nfs/dbraw/zinc/42/15/40/570421540.db2.gz BGBPDONRAAKFQN-UHFFFAOYSA-N 0 0 376.243 4.720 50 0 GJAARN Cc1sc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1C ZINC000004985799 570421613 /nfs/dbraw/zinc/42/16/13/570421613.db2.gz LQZQJBZXYZUVPI-CQSZACIVSA-N 0 0 394.496 4.537 50 0 GJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Oc4ccccc4)cc3)ccc12 ZINC000005013254 570423856 /nfs/dbraw/zinc/42/38/56/570423856.db2.gz XKJPAKAIYRDYOM-UHFFFAOYSA-N 0 0 386.403 4.900 50 0 GJAARN Cn1c2ccccc2c2cc([C@@H]3[NH2+][C@@H](C(=O)[O-])Cc4c5ccccc5[nH]c43)ccc21 ZINC000001787666 570424785 /nfs/dbraw/zinc/42/47/85/570424785.db2.gz NGQNWWAYSMYTDE-OFNKIYASSA-N 0 0 395.462 4.501 50 0 biogenic GJAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Nc2cccc(F)c2)cc1 ZINC000032951008 570424853 /nfs/dbraw/zinc/42/48/53/570424853.db2.gz KNJMXUGOUJQJRE-UHFFFAOYSA-N 0 0 388.446 4.973 50 0 GJAARN Cc1ccc(NC(=O)NCCn2c3ccccc3nc2C(F)(F)F)c(Cl)c1 ZINC000032951140 570425618 /nfs/dbraw/zinc/42/56/18/570425618.db2.gz QJPYOGPCLZXAHD-UHFFFAOYSA-N 0 0 396.800 4.839 50 0 GJAARN Cc1ccccc1-n1c(COc2ccccc2)nn(CN2CCCCC2)c1=S ZINC000026442260 570425707 /nfs/dbraw/zinc/42/57/07/570425707.db2.gz HTXJAXWWSKROML-UHFFFAOYSA-N 0 0 394.544 4.734 50 0 GJAARN COc1ccc(-c2nc(SCc3ccc(Br)cc3)n[nH]2)cc1 ZINC000006457822 570426609 /nfs/dbraw/zinc/42/66/09/570426609.db2.gz PDVKCOPBVOGWDW-UHFFFAOYSA-N 0 0 376.279 4.535 50 0 GJAARN COc1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)c1 ZINC000005147131 570427053 /nfs/dbraw/zinc/42/70/53/570427053.db2.gz GKIBDOLKBAYFOX-UHFFFAOYSA-N 0 0 377.469 4.561 50 0 GJAARN O=C(N/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCCCC1)c1ccccc1 ZINC000005059071 570427097 /nfs/dbraw/zinc/42/70/97/570427097.db2.gz OCEJJKKSHFYPGS-SILNSSARSA-N 0 0 382.891 4.514 50 0 GJAARN Cc1ccc(C)c(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 ZINC000005147352 570427309 /nfs/dbraw/zinc/42/73/09/570427309.db2.gz UYQITPNMSRSQOO-UHFFFAOYSA-N 0 0 379.460 5.000 50 0 GJAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccccc1 ZINC000005147371 570427433 /nfs/dbraw/zinc/42/74/33/570427433.db2.gz QHCSYSWCAOTQSA-CQSZACIVSA-N 0 0 379.460 4.622 50 0 GJAARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000005063210 570427581 /nfs/dbraw/zinc/42/75/81/570427581.db2.gz BBCVTRDVGUNPQH-KRWDZBQOSA-N 0 0 377.669 4.800 50 0 GJAARN C[C@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 ZINC000005064866 570427861 /nfs/dbraw/zinc/42/78/61/570427861.db2.gz MBYZOTYFXODJSA-URNNUDQISA-N 0 0 386.561 4.517 50 0 GJAARN CCOc1ccc(-c2noc(CNc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000026782119 570428672 /nfs/dbraw/zinc/42/86/72/570428672.db2.gz ZUMBYSMPMLLSTJ-UHFFFAOYSA-N 0 0 379.338 4.646 50 0 GJAARN O=C1N=C2Nc3ccccc3SC(c3ccccc3)=C2[C@@H](c2ccc(O)cc2)N1 ZINC000005101769 570429136 /nfs/dbraw/zinc/42/91/36/570429136.db2.gz ATFQGHUFGOMZSN-HXUWFJFHSA-N 0 0 399.475 4.993 50 0 GJAARN CCOc1ccccc1N[C@@H](NC(=O)c1cccs1)C(=O)c1ccc(C)cc1 ZINC000027020544 570430869 /nfs/dbraw/zinc/43/08/69/570430869.db2.gz UTMXIVRLPCUDLL-NRFANRHFSA-N 0 0 394.496 4.506 50 0 GJAARN O=C(CSc1cc(F)ccc1F)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000011018675 570431455 /nfs/dbraw/zinc/43/14/55/570431455.db2.gz WOWCCGCTFDEBIQ-UHFFFAOYSA-N 0 0 393.846 4.594 50 0 GJAARN CC(=O)c1c(C)cc(C)c(CSCCC(=O)Nc2ccc3c(c2)OCO3)c1C ZINC000027187310 570432010 /nfs/dbraw/zinc/43/20/10/570432010.db2.gz KAKZIBGAWYMWJJ-UHFFFAOYSA-N 0 0 399.512 4.805 50 0 GJAARN COc1ccc2c(CN(Cc3c(F)cccc3Cl)C3CC3)cc(=O)oc2c1 ZINC000027370223 570433891 /nfs/dbraw/zinc/43/38/91/570433891.db2.gz CDSFCHYZITUDSK-UHFFFAOYSA-N 0 0 387.838 4.759 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1F ZINC000027390428 570434149 /nfs/dbraw/zinc/43/41/49/570434149.db2.gz ACMKEEGCJODXER-UHFFFAOYSA-N 0 0 376.790 4.854 50 0 GJAARN COc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc1OC ZINC000027581105 570436478 /nfs/dbraw/zinc/43/64/78/570436478.db2.gz VKTRJLMHRXIKGP-UHFFFAOYSA-N 0 0 382.847 4.599 50 0 GJAARN CCCCCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000054008675 570437302 /nfs/dbraw/zinc/43/73/02/570437302.db2.gz NUFVRIQGZOYMRK-UHFFFAOYSA-N 0 0 393.531 4.846 50 0 GJAARN COc1ccc(-c2nonc2NC(=O)COc2cc(C)ccc2C(C)C)cc1C ZINC000027740781 570440782 /nfs/dbraw/zinc/44/07/82/570440782.db2.gz CLINDFHYKKDDIU-UHFFFAOYSA-N 0 0 395.459 4.503 50 0 GJAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(C)c(C)cc3o2)o1 ZINC000027740541 570440832 /nfs/dbraw/zinc/44/08/32/570440832.db2.gz MEMTWCTXZVMBTM-UHFFFAOYSA-N 0 0 391.423 4.747 50 0 GJAARN O=c1oc2c(cc(Cl)c3c2CN(c2ccc(F)cc2)CO3)c2c1CCCC2 ZINC000005157664 570442251 /nfs/dbraw/zinc/44/22/51/570442251.db2.gz YAUQBAVGRCFSGF-UHFFFAOYSA-N 0 0 385.822 4.821 50 0 GJAARN C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)c1ccccc1 ZINC000006466115 570442820 /nfs/dbraw/zinc/44/28/20/570442820.db2.gz RJYZROWMJVKKQT-CQSZACIVSA-N 0 0 393.464 4.516 50 0 GJAARN O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000027794299 570442916 /nfs/dbraw/zinc/44/29/16/570442916.db2.gz FFDMNXHTHXQGTJ-UHFFFAOYSA-N 0 0 390.826 4.688 50 0 GJAARN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005501544 570443081 /nfs/dbraw/zinc/44/30/81/570443081.db2.gz SIQXSWDSYLQDDS-UHFFFAOYSA-N 0 0 398.507 4.650 50 0 GJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 ZINC000027800986 570443569 /nfs/dbraw/zinc/44/35/69/570443569.db2.gz VLWJQKZZJVUEOG-UHFFFAOYSA-N 0 0 384.798 4.582 50 0 GJAARN CCC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 ZINC000022655121 570444757 /nfs/dbraw/zinc/44/47/57/570444757.db2.gz PRRLZOKSWKYEAW-QMHKHESXSA-N 0 0 397.515 4.623 50 0 GJAARN O=C(/C=C/c1ccco1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000016515976 570445918 /nfs/dbraw/zinc/44/59/18/570445918.db2.gz DGFQZJPRUVZEFY-OUKQBFOZSA-N 0 0 387.414 4.601 50 0 GJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc2ncccc21 ZINC000006475839 570446373 /nfs/dbraw/zinc/44/63/73/570446373.db2.gz KELBSGMQCFXVQM-QHCPKHFHSA-N 0 0 395.462 4.735 50 0 GJAARN CC[C@H](Oc1ccccc1F)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000027990431 570448274 /nfs/dbraw/zinc/44/82/74/570448274.db2.gz SRGISRWJJMRRBI-IBGZPJMESA-N 0 0 398.503 4.774 50 0 GJAARN CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1Cl ZINC000005651977 570450351 /nfs/dbraw/zinc/45/03/51/570450351.db2.gz QMYTZTBOODTGEC-UHFFFAOYSA-N 0 0 383.625 4.533 50 0 GJAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccco2)cc1C ZINC000002229021 570451898 /nfs/dbraw/zinc/45/18/98/570451898.db2.gz BADRSXVRGFNAHF-UHFFFAOYSA-N 0 0 399.450 4.670 50 0 GJAARN CCc1ccc2oc(-c3ccco3)c(OCC(=O)Nc3ccccc3)c(=O)c2c1 ZINC000001987856 570452022 /nfs/dbraw/zinc/45/20/22/570452022.db2.gz HNLJMDRIGQXSKG-UHFFFAOYSA-N 0 0 389.407 4.633 50 0 GJAARN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000028288810 570455139 /nfs/dbraw/zinc/45/51/39/570455139.db2.gz AMGQPSDTFVWTHL-FQEVSTJZSA-N 0 0 398.503 4.774 50 0 GJAARN C[S@@](=O)Cc1c2ccccc2sc1C(=O)Nc1ccc2ncccc2c1 ZINC000089493124 570456282 /nfs/dbraw/zinc/45/62/82/570456282.db2.gz SOTNUODZRLBFRZ-SANMLTNESA-N 0 0 380.494 4.580 50 0 GJAARN Cc1ccc(Cn2nccc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000028292259 570456501 /nfs/dbraw/zinc/45/65/01/570456501.db2.gz ZBKWMEHFFUMOQS-UHFFFAOYSA-N 0 0 377.488 4.555 50 0 GJAARN CC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000005907650 570461616 /nfs/dbraw/zinc/46/16/16/570461616.db2.gz BUWZYNWNUYYWDY-XLKFXECMSA-N 0 0 386.304 4.641 50 0 GJAARN COc1cc(Nc2nc3cc(C)c(C)cc3nc2C(=O)OC(C)C)cc(OC)c1 ZINC000064438595 570462830 /nfs/dbraw/zinc/46/28/30/570462830.db2.gz TYRAGIMEBXMONK-UHFFFAOYSA-N 0 0 395.459 4.573 50 0 GJAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 ZINC000006525493 570465778 /nfs/dbraw/zinc/46/57/78/570465778.db2.gz DUOGESODBAWHES-QFBILLFUSA-N 0 0 394.540 4.634 50 0 GJAARN Cc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(C)cc1Cl ZINC000006527729 570466305 /nfs/dbraw/zinc/46/63/05/570466305.db2.gz TYQAQJVRGOWXEE-UHFFFAOYSA-N 0 0 377.937 4.600 50 0 GJAARN CCc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1 ZINC000064471745 570467616 /nfs/dbraw/zinc/46/76/16/570467616.db2.gz VAVLTFGFEREEOS-UHFFFAOYSA-N 0 0 377.513 4.730 50 0 GJAARN O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl ZINC000006536161 570470200 /nfs/dbraw/zinc/47/02/00/570470200.db2.gz KDVSAEBDQMIQRM-UHFFFAOYSA-N 0 0 391.254 4.589 50 0 GJAARN CCOC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000035882599 570471101 /nfs/dbraw/zinc/47/11/01/570471101.db2.gz KTQLOLSJZZPXLH-MSOLQXFVSA-N 0 0 389.282 4.642 50 0 biogenic GJAARN COc1ccc(C(=O)Nc2nc3c(cccc3Cl)s2)cc1Br ZINC000006230668 570472748 /nfs/dbraw/zinc/47/27/48/570472748.db2.gz KXNAIPGMPSGYLF-UHFFFAOYSA-N 0 0 397.681 4.973 50 0 GJAARN CCOC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000006551435 570475581 /nfs/dbraw/zinc/47/55/81/570475581.db2.gz BBVABHZRKAUINC-UHFFFAOYSA-N 0 0 375.424 4.548 50 0 GJAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(F)c1 ZINC000006277091 570475627 /nfs/dbraw/zinc/47/56/27/570475627.db2.gz PSMWWOIYOOXKAW-UHFFFAOYSA-N 0 0 391.427 4.761 50 0 GJAARN COc1cc(OC)c(C2=CCN(Cc3nc4ccccc4s3)CC2)c(OC)c1 ZINC000029594044 570476649 /nfs/dbraw/zinc/47/66/49/570476649.db2.gz FDFLAOKEEDCROV-UHFFFAOYSA-N 0 0 396.512 4.611 50 0 GJAARN Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@@H]1CCOC1=O ZINC000006565483 570479231 /nfs/dbraw/zinc/47/92/31/570479231.db2.gz QNLAEHYXRNJDEK-GOSISDBHSA-N 0 0 384.888 4.909 50 0 GJAARN CC(C)c1ccc(-n2nc3nc(NC4CC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929630 570480644 /nfs/dbraw/zinc/48/06/44/570480644.db2.gz AAQVMXBOMIBUNJ-UHFFFAOYSA-N 0 0 384.487 4.762 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1nc2ccc(F)cc2s1 ZINC000006537806 570482707 /nfs/dbraw/zinc/48/27/07/570482707.db2.gz JNGJNDMLOPOHOG-UHFFFAOYSA-N 0 0 384.461 4.556 50 0 GJAARN COCCn1c(C)cc(C(=O)CSc2nc3cc(Cl)ccc3s2)c1C ZINC000005780454 570484694 /nfs/dbraw/zinc/48/46/94/570484694.db2.gz GWICNTAJVNYMFV-UHFFFAOYSA-N 0 0 394.949 4.989 50 0 GJAARN Cn1c2ccccc2c(=O)c(-c2ccc(Cl)cc2)c1NC(=O)c1ccco1 ZINC000002445048 570485880 /nfs/dbraw/zinc/48/58/80/570485880.db2.gz BSZAYSRNOCQEDG-UHFFFAOYSA-N 0 0 378.815 4.704 50 0 GJAARN Cn1c2ccccc2nc1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000006649211 570485885 /nfs/dbraw/zinc/48/58/85/570485885.db2.gz MIDMOFMGSWFDTB-UHFFFAOYSA-N 0 0 387.508 4.571 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCc3ccccc32)cc1 ZINC000006590811 570488302 /nfs/dbraw/zinc/48/83/02/570488302.db2.gz YMSWWHDUDSAQQE-UHFFFAOYSA-N 0 0 395.462 4.751 50 0 GJAARN CCCCC1CCC(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)CC1 ZINC000005168611 570490632 /nfs/dbraw/zinc/49/06/32/570490632.db2.gz WLQOXMZLZIYJSK-UHFFFAOYSA-N 0 0 377.492 4.726 50 0 GJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)NCC ZINC000035978845 570491027 /nfs/dbraw/zinc/49/10/27/570491027.db2.gz ABRQZKLZNSVMTB-UHFFFAOYSA-N 0 0 392.503 4.821 50 0 GJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006602462 570491969 /nfs/dbraw/zinc/49/19/69/570491969.db2.gz WBWNNYBGEFWGPB-UHFFFAOYSA-N 0 0 378.375 4.890 50 0 GJAARN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000005172814 570492071 /nfs/dbraw/zinc/49/20/71/570492071.db2.gz BRFAGKPYXZFSHE-IUXPMGMMSA-N 0 0 377.783 4.566 50 0 GJAARN COCc1nc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)s1 ZINC000089559503 570493855 /nfs/dbraw/zinc/49/38/55/570493855.db2.gz FSCPJQAEHSWEGB-UHFFFAOYSA-N 0 0 379.894 4.627 50 0 GJAARN COc1ccccc1CNc1nc2ccccc2c2nc(-c3cccc(C)c3)nn21 ZINC000006805522 570494430 /nfs/dbraw/zinc/49/44/30/570494430.db2.gz SHOOWJZPLBXPCO-UHFFFAOYSA-N 0 0 395.466 4.874 50 0 GJAARN CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1c(Cl)cccc1Cl ZINC000006820052 570495776 /nfs/dbraw/zinc/49/57/76/570495776.db2.gz PSFGRFIQXYNETN-CYBMUJFWSA-N 0 0 384.303 4.850 50 0 GJAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cccc(Cl)c1Cl ZINC000006876442 570497913 /nfs/dbraw/zinc/49/79/13/570497913.db2.gz SGVXLNHIGHIHMG-UHFFFAOYSA-N 0 0 395.217 4.943 50 0 GJAARN CC[C@](C)(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000072294561 570499186 /nfs/dbraw/zinc/49/91/86/570499186.db2.gz CAKJFEOAGKNXHG-NRFANRHFSA-N 0 0 380.469 4.594 50 0 GJAARN COc1ccc(CC(=O)O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000006607877 570499602 /nfs/dbraw/zinc/49/96/02/570499602.db2.gz UUAYZCKMKFQAEM-RUZDIDTESA-N 0 0 399.446 4.886 50 0 GJAARN CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2ccc(C(=O)N(C)C)s2)cc1 ZINC000426620294 570501605 /nfs/dbraw/zinc/50/16/05/570501605.db2.gz VFOJGKPFEUNBDV-SFHVURJKSA-N 0 0 382.529 4.688 50 0 GJAARN COc1cccc2ccn(CCC(=O)N3CCC(Cc4ccccc4)CC3)c21 ZINC000061719199 570502190 /nfs/dbraw/zinc/50/21/90/570502190.db2.gz JPKHFTFDMYYQDG-UHFFFAOYSA-N 0 0 376.500 4.521 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccccn1 ZINC000007344126 570502905 /nfs/dbraw/zinc/50/29/05/570502905.db2.gz YDFDWEFPYPVNAX-UHFFFAOYSA-N 0 0 386.480 4.870 50 0 GJAARN COc1ccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccc(C)cc2)cc1 ZINC000006610419 570503739 /nfs/dbraw/zinc/50/37/39/570503739.db2.gz UVYGQCRTZOKCKU-HXUWFJFHSA-N 0 0 395.528 4.913 50 0 GJAARN c1csc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c1 ZINC000002707201 570506186 /nfs/dbraw/zinc/50/61/86/570506186.db2.gz HCIYGSKPFCTAAW-SFTDATJTSA-N 0 0 384.464 4.552 50 0 GJAARN C[C@H](Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)c1ccccc1 ZINC000002719963 570507790 /nfs/dbraw/zinc/50/77/90/570507790.db2.gz DDABPWFSNHAAMG-ZDUSSCGKSA-N 0 0 384.501 4.873 50 0 GJAARN Cc1ccc(C)c(CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c1 ZINC000002719966 570508169 /nfs/dbraw/zinc/50/81/69/570508169.db2.gz QPXGHIJVQNBUCY-UHFFFAOYSA-N 0 0 398.528 4.929 50 0 GJAARN COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714745 570509366 /nfs/dbraw/zinc/50/93/66/570509366.db2.gz UKQXDDPPUZKIMZ-UHFFFAOYSA-N 0 0 376.435 4.675 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 ZINC000002740734 570510492 /nfs/dbraw/zinc/51/04/92/570510492.db2.gz KIZQPYNMLYEFPF-UHFFFAOYSA-N 0 0 375.852 4.623 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)c3ccccc3n2)cc1 ZINC000002741398 570510926 /nfs/dbraw/zinc/51/09/26/570510926.db2.gz QOTQUZIIZVXKPH-UHFFFAOYSA-N 0 0 375.453 4.928 50 0 GJAARN CC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(Cl)c3C)cc2s1 ZINC000032959349 570513289 /nfs/dbraw/zinc/51/32/89/570513289.db2.gz HXIDAUNGMAEWHQ-UHFFFAOYSA-N 0 0 387.892 4.788 50 0 GJAARN Cc1ccc(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)cc1F ZINC000002787697 570514583 /nfs/dbraw/zinc/51/45/83/570514583.db2.gz VGQGGSNLDJVMEP-UHFFFAOYSA-N 0 0 394.233 4.926 50 0 GJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccnc1Cl ZINC000002765868 570514871 /nfs/dbraw/zinc/51/48/71/570514871.db2.gz HWOGEKBPYFJFOZ-UHFFFAOYSA-N 0 0 388.858 4.518 50 0 GJAARN Fc1ccc(C2=Nn3c(nnc3C(F)F)S/C2=C\c2cccs2)c(F)c1 ZINC000002766793 570515240 /nfs/dbraw/zinc/51/52/40/570515240.db2.gz BEKIKXYEVFRMTQ-GHXNOFRVSA-N 0 0 396.394 4.955 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000002779914 570516097 /nfs/dbraw/zinc/51/60/97/570516097.db2.gz FAZDYHSXANYLNH-UHFFFAOYSA-N 0 0 395.908 4.937 50 0 GJAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)Nc1ccc(F)cc1 ZINC000064675524 570516201 /nfs/dbraw/zinc/51/62/01/570516201.db2.gz CXGCNNKDDLWSNK-UHFFFAOYSA-N 0 0 377.394 4.851 50 0 GJAARN CC(C)C(=O)Nc1nc2ccc(CC(=O)Nc3ccc(Cl)cc3)cc2s1 ZINC000032959761 570516861 /nfs/dbraw/zinc/51/68/61/570516861.db2.gz CBTRWEBOQRFMTK-UHFFFAOYSA-N 0 0 387.892 4.725 50 0 GJAARN CC(C)C(=O)Nc1nc2ccc(CC(=O)Nc3cccc(Cl)c3)cc2s1 ZINC000032959760 570517048 /nfs/dbraw/zinc/51/70/48/570517048.db2.gz WTLSBXWOWDUBRL-UHFFFAOYSA-N 0 0 387.892 4.725 50 0 GJAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)sc(C(=O)OC)c2Cl ZINC000002794545 570518404 /nfs/dbraw/zinc/51/84/04/570518404.db2.gz IXPJUQLPERYXNV-UHFFFAOYSA-N 0 0 389.860 4.992 50 0 GJAARN Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)[N@@H+]3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036046380 570520687 /nfs/dbraw/zinc/52/06/87/570520687.db2.gz PWSSKSYDSPYWTM-KBXCAEBGSA-N 0 0 384.549 4.750 50 0 GJAARN CCCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)no1 ZINC000033269799 570522078 /nfs/dbraw/zinc/52/20/78/570522078.db2.gz CJLQCWLZZILBDY-SFHVURJKSA-N 0 0 385.851 4.913 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1c(F)cccc1F ZINC000033274125 570523142 /nfs/dbraw/zinc/52/31/42/570523142.db2.gz MTPLGSFUYZCGGU-IBGZPJMESA-N 0 0 391.377 4.534 50 0 GJAARN CC[C@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000005235775 570523950 /nfs/dbraw/zinc/52/39/50/570523950.db2.gz NFNCDLOEEOWIKQ-IRXDYDNUSA-N 0 0 377.488 4.612 50 0 GJAARN CCc1ccccc1NC(=O)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000005237462 570524525 /nfs/dbraw/zinc/52/45/25/570524525.db2.gz LNKQSMSEYLIADB-UHFFFAOYSA-N 0 0 395.462 4.919 50 0 GJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(Cl)cc2)[C@H](C)C(C)C)n1 ZINC000036069052 570526570 /nfs/dbraw/zinc/52/65/70/570526570.db2.gz PGFVGSIHYIRJEA-MRXNPFEDSA-N 0 0 391.943 4.761 50 0 GJAARN COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1 ZINC000005252457 570529465 /nfs/dbraw/zinc/52/94/65/570529465.db2.gz DQCYRRJRMSZYJA-UHFFFAOYSA-N 0 0 391.496 4.642 50 0 GJAARN COc1ccccc1/C=C/c1nn2c(CSc3ccccc3)nnc2s1 ZINC000008393268 570531158 /nfs/dbraw/zinc/53/11/58/570531158.db2.gz VKCKZZOLWBQCIY-VAWYXSNFSA-N 0 0 380.498 4.657 50 0 GJAARN CCc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000064747445 570531805 /nfs/dbraw/zinc/53/18/05/570531805.db2.gz JHVAGUCFTMBISK-IBGZPJMESA-N 0 0 392.459 4.677 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000032960936 570531880 /nfs/dbraw/zinc/53/18/80/570531880.db2.gz HMRSTPCCLZRHJA-UHFFFAOYSA-N 0 0 399.494 4.846 50 0 GJAARN Cc1ccc2[nH]c(CCc3ccc(NC(=O)Cc4ccc(F)cc4)cc3)nc2c1 ZINC000032960931 570531932 /nfs/dbraw/zinc/53/19/32/570531932.db2.gz VTTDVJFGALQWCX-UHFFFAOYSA-N 0 0 387.458 4.977 50 0 GJAARN O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747710 570532241 /nfs/dbraw/zinc/53/22/41/570532241.db2.gz HZKBXILEKJDMNO-MRXNPFEDSA-N 0 0 388.349 4.523 50 0 GJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)n1 ZINC000064747570 570532376 /nfs/dbraw/zinc/53/23/76/570532376.db2.gz BELWZZGEIHWULF-INIZCTEOSA-N 0 0 398.850 4.768 50 0 GJAARN CC(C)CN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)NC(C)C ZINC000006690030 570533225 /nfs/dbraw/zinc/53/32/25/570533225.db2.gz FTZLCERLRBBQLP-UHFFFAOYSA-N 0 0 397.350 4.814 50 0 GJAARN Cc1ccc(C)c(Cn2ccnc2CN(CC(C)C)C(=O)c2cccc(F)c2)c1 ZINC000006690133 570533306 /nfs/dbraw/zinc/53/33/06/570533306.db2.gz XWHZLXWOAJWZNV-UHFFFAOYSA-N 0 0 393.506 4.986 50 0 GJAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(C)cc1 ZINC000064757997 570537108 /nfs/dbraw/zinc/53/71/08/570537108.db2.gz AOPDTXOCZMCATF-UHFFFAOYSA-N 0 0 380.517 4.941 50 0 GJAARN Cc1cccc(OCc2nnc(NC(=O)CSCc3ccccc3)s2)c1C ZINC000008743420 570539443 /nfs/dbraw/zinc/53/94/43/570539443.db2.gz LHYVUEZGDXTTHK-UHFFFAOYSA-N 0 0 399.541 4.606 50 0 GJAARN O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)N1CCCCC1 ZINC000003656370 570539646 /nfs/dbraw/zinc/53/96/46/570539646.db2.gz UFDZACYACAMOFS-QGZVFWFLSA-N 0 0 388.305 4.689 50 0 GJAARN COc1cccc2c1N(S(=O)(=O)c1ccc(C3CCCCC3)cc1)CCC2 ZINC000008783340 570541984 /nfs/dbraw/zinc/54/19/84/570541984.db2.gz GCZMKCXGWXQRQA-UHFFFAOYSA-N 0 0 385.529 4.884 50 0 GJAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)CC(C)C)cs1 ZINC000036105664 570542029 /nfs/dbraw/zinc/54/20/29/570542029.db2.gz SRIAZBPNISGRIT-UHFFFAOYSA-N 0 0 390.549 4.761 50 0 GJAARN CCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)NC(C)(C)C ZINC000036115164 570543103 /nfs/dbraw/zinc/54/31/03/570543103.db2.gz UUKNZJFELRUXPS-UHFFFAOYSA-N 0 0 375.538 4.751 50 0 GJAARN O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000022766092 570543747 /nfs/dbraw/zinc/54/37/47/570543747.db2.gz YZBHQADPQLNXKY-NRFANRHFSA-N 0 0 398.478 4.556 50 0 GJAARN CCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccco2)cc1 ZINC000006704833 570544765 /nfs/dbraw/zinc/54/47/65/570544765.db2.gz QKIXNLXVEAFLFZ-JOCHJYFZSA-N 0 0 392.480 4.873 50 0 GJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccco3)c2)cc1F ZINC000006706195 570545273 /nfs/dbraw/zinc/54/52/73/570545273.db2.gz WDUFHRYFMTVNNN-OAQYLSRUSA-N 0 0 396.443 4.758 50 0 GJAARN COc1cccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 ZINC000006706106 570545323 /nfs/dbraw/zinc/54/53/23/570545323.db2.gz INQHMXOABJABLQ-UHFFFAOYSA-N 0 0 391.905 4.745 50 0 GJAARN CSc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O ZINC000005270560 570546784 /nfs/dbraw/zinc/54/67/84/570546784.db2.gz LEWLFTNBFHCWGD-UHFFFAOYSA-N 0 0 384.888 4.524 50 0 GJAARN CCCc1cc(-c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)ccn1 ZINC000006719671 570548174 /nfs/dbraw/zinc/54/81/74/570548174.db2.gz AVPBCCPOXDCOIE-UHFFFAOYSA-N 0 0 378.453 4.940 50 0 GJAARN O=C1C[C@@H](c2ccccc2)CC2=NNC(c3ccc(Br)cc3)=C[C@@H]12 ZINC000005279828 570548746 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ZINC000005475967 570606661 /nfs/dbraw/zinc/60/66/61/570606661.db2.gz SCRRQXGZTLFPNH-UHFFFAOYSA-N 0 0 380.494 4.720 50 0 GJAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(F)cc2)o1 ZINC000005478143 570608219 /nfs/dbraw/zinc/60/82/19/570608219.db2.gz SESKRKJDIKMCSH-AWEZNQCLSA-N 0 0 379.457 4.573 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000003452911 570608567 /nfs/dbraw/zinc/60/85/67/570608567.db2.gz WDLBYMSPQWNOBD-UHFFFAOYSA-N 0 0 397.434 4.829 50 0 GJAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccccc1OC ZINC000006808134 570609876 /nfs/dbraw/zinc/60/98/76/570609876.db2.gz YGPNACVHPHTVSR-UHFFFAOYSA-N 0 0 382.441 4.854 50 0 GJAARN Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)cc1 ZINC000005484094 570611806 /nfs/dbraw/zinc/61/18/06/570611806.db2.gz ZQKXIMDJQYWERJ-XMMPIXPASA-N 0 0 384.479 4.733 50 0 GJAARN Cc1ccccc1OCC(=O)Oc1cc2sc(=O)oc2c(-c2ccccc2)c1 ZINC000006809646 570612022 /nfs/dbraw/zinc/61/20/22/570612022.db2.gz GBMHULQYKGKGLA-UHFFFAOYSA-N 0 0 392.432 4.814 50 0 GJAARN O=C(CCCC(=O)OCCCc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000012137268 570614620 /nfs/dbraw/zinc/61/46/20/570614620.db2.gz WOEKVYCQGWKHKG-UHFFFAOYSA-N 0 0 377.843 4.764 50 0 GJAARN Cc1cccc2cc3c(NC(=O)c4ccc(F)cc4)nn(CC(C)C)c3nc12 ZINC000005500069 570614676 /nfs/dbraw/zinc/61/46/76/570614676.db2.gz VRKDTJLFZJLMKE-UHFFFAOYSA-N 0 0 376.435 4.940 50 0 GJAARN Cc1ccc(S(=O)(=O)NCC[C@]2(CCC(C)C)CCOC(C)(C)C2)cc1 ZINC000005498862 570614741 /nfs/dbraw/zinc/61/47/41/570614741.db2.gz XBLBAVZGIYJKRW-OAQYLSRUSA-N 0 0 381.582 4.675 50 0 GJAARN CCSC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)N=C1c1ccc(C)cc1 ZINC000006817202 570618410 /nfs/dbraw/zinc/61/84/10/570618410.db2.gz DNVMLDKJFZIEEM-UHFFFAOYSA-N 0 0 387.549 4.677 50 0 GJAARN Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccccc2)cc1 ZINC000006818786 570621181 /nfs/dbraw/zinc/62/11/81/570621181.db2.gz QXNCKBFQGXRIGE-UHFFFAOYSA-N 0 0 377.513 4.838 50 0 GJAARN O=C(OCc1ccco1)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000064977301 570622438 /nfs/dbraw/zinc/62/24/38/570622438.db2.gz ODQZFVUCKGQQLK-UHFFFAOYSA-N 0 0 379.799 4.594 50 0 GJAARN CCc1ccc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)ccn3n2)cc1 ZINC000064977549 570622465 /nfs/dbraw/zinc/62/24/65/570622465.db2.gz OOJMOZJXAQOESX-UHFFFAOYSA-N 0 0 397.400 4.793 50 0 GJAARN Cc1ccc2[nH]c3nc(SCC(=O)Nc4cc(Cl)ccc4C)nnc3c2c1 ZINC000005519309 570622588 /nfs/dbraw/zinc/62/25/88/570622588.db2.gz NTYVIMXFSNRQMU-UHFFFAOYSA-N 0 0 397.891 4.507 50 0 GJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3Cl)c(C)c2)on1 ZINC000064979695 570624490 /nfs/dbraw/zinc/62/44/90/570624490.db2.gz QAZZUDICVOHASF-UHFFFAOYSA-N 0 0 380.828 4.552 50 0 GJAARN C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc2ccccc21 ZINC000004326752 570625893 /nfs/dbraw/zinc/62/58/93/570625893.db2.gz HIXLDMYAZPXFOG-ZDUSSCGKSA-N 0 0 376.437 4.634 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)nc2c1 ZINC000004274494 570625975 /nfs/dbraw/zinc/62/59/75/570625975.db2.gz CYPJKPLHTRETSV-UHFFFAOYSA-N 0 0 396.299 4.918 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345473 570627474 /nfs/dbraw/zinc/62/74/74/570627474.db2.gz DGWOTJIZHLFFTO-HSZRJFAPSA-N 0 0 393.506 4.606 50 0 GJAARN Clc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004597402 570629014 /nfs/dbraw/zinc/62/90/14/570629014.db2.gz TZYJIWXQPDJEFM-UHFFFAOYSA-N 0 0 378.819 4.565 50 0 GJAARN Cc1ccc(Nc2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)s2)cc1 ZINC000006830448 570629199 /nfs/dbraw/zinc/62/91/99/570629199.db2.gz KKHQFCZADUXJLZ-INIZCTEOSA-N 0 0 384.530 4.512 50 0 GJAARN CC1=Nc2ncnn2[C@@H](c2ccc(C(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000004598081 570629429 /nfs/dbraw/zinc/62/94/29/570629429.db2.gz MWVDJEDZXCTDKA-FQEVSTJZSA-N 0 0 380.492 4.566 50 0 GJAARN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000036347619 570629589 /nfs/dbraw/zinc/62/95/89/570629589.db2.gz BVSDAGKNFIYGEB-HSZRJFAPSA-N 0 0 380.463 4.640 50 0 GJAARN c1c(C2CCCC2)nc2sc(N3CCC[C@@H]3c3ccc4c(c3)OCO4)nn12 ZINC000302549916 570630646 /nfs/dbraw/zinc/63/06/46/570630646.db2.gz PXNKSYRCEXKAHJ-MRXNPFEDSA-N 0 0 382.489 4.519 50 0 GJAARN Cc1ccc(Cn2c3ccccc3nc2[C@H](C)NC(=O)COc2ccccc2)cc1 ZINC000005545790 570630760 /nfs/dbraw/zinc/63/07/60/570630760.db2.gz PUWJYQBKRBAMDE-IBGZPJMESA-N 0 0 399.494 4.649 50 0 GJAARN Cc1cccc([C@H](CCO)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000044198356 570632539 /nfs/dbraw/zinc/63/25/39/570632539.db2.gz YFZBPLJXYWECDV-DEOSSOPVSA-N 0 0 387.479 4.957 50 0 GJAARN CCc1cccc(CC)c1NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000005553459 570632987 /nfs/dbraw/zinc/63/29/87/570632987.db2.gz UBBKWEDWYYSZIE-AWEZNQCLSA-N 0 0 388.508 4.649 50 0 GJAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)cc1OC ZINC000036354959 570636619 /nfs/dbraw/zinc/63/66/19/570636619.db2.gz JIKWARMUPIGIHM-CYBMUJFWSA-N 0 0 383.835 4.667 50 0 GJAARN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccccc1 ZINC000036356957 570637058 /nfs/dbraw/zinc/63/70/58/570637058.db2.gz FKYKUEMBQICQEY-UHFFFAOYSA-N 0 0 376.460 4.929 50 0 GJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(Cl)cc1F)CC(=O)N2 ZINC000036356980 570637091 /nfs/dbraw/zinc/63/70/91/570637091.db2.gz QRAGDDSXBGLQNA-NSHDSACASA-N 0 0 392.221 4.540 50 0 GJAARN CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CC(C)C)c2)cc1 ZINC000006837544 570638470 /nfs/dbraw/zinc/63/84/70/570638470.db2.gz HHWNIMJSNBJJPZ-JOCHJYFZSA-N 0 0 398.528 4.849 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1O ZINC000036358217 570638849 /nfs/dbraw/zinc/63/88/49/570638849.db2.gz UGEGOIWZIDMGLU-LBPRGKRZSA-N 0 0 387.798 4.503 50 0 GJAARN COc1cccc(CSc2nnc(NC(=O)CCC3CCCC3)s2)c1 ZINC000006838144 570638932 /nfs/dbraw/zinc/63/89/32/570638932.db2.gz RHTNYFMCBQUPTK-UHFFFAOYSA-N 0 0 377.535 4.748 50 0 GJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C(C)(C)C)cc2)cc1F ZINC000006838272 570639390 /nfs/dbraw/zinc/63/93/90/570639390.db2.gz SJPDIURGHVLYRZ-LJQANCHMSA-N 0 0 386.492 4.897 50 0 GJAARN Fc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1Cl ZINC000012322984 570642764 /nfs/dbraw/zinc/64/27/64/570642764.db2.gz XQGMJOOBCBYBPQ-UHFFFAOYSA-N 0 0 379.247 4.890 50 0 GJAARN O=C(c1c[nH]c2ccccc12)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000036369822 570646771 /nfs/dbraw/zinc/64/67/71/570646771.db2.gz IVXYXDJQUBRLNS-UHFFFAOYSA-N 0 0 394.272 4.610 50 0 biogenic GJAARN CCC[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(F)cc1 ZINC000227154815 570648969 /nfs/dbraw/zinc/64/89/69/570648969.db2.gz YQSKSJTXFOIYLG-KRWDZBQOSA-N 0 0 382.435 4.803 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC000065025458 570650335 /nfs/dbraw/zinc/65/03/35/570650335.db2.gz YRHTVKFGHWNXCY-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccccc1F ZINC000065031569 570652439 /nfs/dbraw/zinc/65/24/39/570652439.db2.gz QJCNLWPLZGPVJB-HNNXBMFYSA-N 0 0 387.414 4.842 50 0 GJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000012407707 570654373 /nfs/dbraw/zinc/65/43/73/570654373.db2.gz BMTZXFLTDQSVFB-SFHVURJKSA-N 0 0 398.915 4.986 50 0 GJAARN Cc1cccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)c1 ZINC000006867074 570656711 /nfs/dbraw/zinc/65/67/11/570656711.db2.gz UJNICFYJMYUJLA-UHFFFAOYSA-N 0 0 392.405 4.934 50 0 GJAARN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000012431232 570659638 /nfs/dbraw/zinc/65/96/38/570659638.db2.gz JXNOILKXETYPOI-OAHLLOKOSA-N 0 0 376.447 4.755 50 0 GJAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 ZINC000003117413 570662878 /nfs/dbraw/zinc/66/28/78/570662878.db2.gz AENGMXHGRBDJBT-FQEVSTJZSA-N 0 0 393.487 4.551 50 0 biogenic GJAARN Cc1cc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)ccc1F ZINC000169759787 570663577 /nfs/dbraw/zinc/66/35/77/570663577.db2.gz VPVHSFGKFUKVGH-LJQANCHMSA-N 0 0 385.826 4.508 50 0 GJAARN CC(C)n1cc2cc(C(=O)NCCCN3CCCc4ccccc43)sc2c1 ZINC000097096625 570664448 /nfs/dbraw/zinc/66/44/48/570664448.db2.gz YJGZCYKTDRQUPP-UHFFFAOYSA-N 0 0 381.545 4.856 50 0 GJAARN CC(C)CC(=O)N(Cc1ccccc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000006872899 570664840 /nfs/dbraw/zinc/66/48/40/570664840.db2.gz OQGUOCRMPHILLM-SFHVURJKSA-N 0 0 384.907 4.908 50 0 GJAARN O=C(c1cccs1)N(Cc1ccccc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000006872844 570664868 /nfs/dbraw/zinc/66/48/68/570664868.db2.gz POMXWFRKBFXYDZ-LJQANCHMSA-N 0 0 394.471 4.723 50 0 GJAARN Cc1cc(C)cc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c1 ZINC000065058680 570667514 /nfs/dbraw/zinc/66/75/14/570667514.db2.gz ZXZKDUIIZWYZDF-XMMPIXPASA-N 0 0 393.531 4.562 50 0 GJAARN O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ncccc2-n2cccc2)CC1 ZINC000033034614 570670974 /nfs/dbraw/zinc/67/09/74/570670974.db2.gz KFXSUSNRYXBGOY-UHFFFAOYSA-N 0 0 398.869 4.520 50 0 GJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000006880359 570671018 /nfs/dbraw/zinc/67/10/18/570671018.db2.gz FEUDDWQXRSZZBE-GFCCVEGCSA-N 0 0 385.817 4.637 50 0 GJAARN CC(C)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035710 570671993 /nfs/dbraw/zinc/67/19/93/570671993.db2.gz DYSHKSBAVWYXNC-NRFANRHFSA-N 0 0 393.531 4.874 50 0 GJAARN CCc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000012420953 570672389 /nfs/dbraw/zinc/67/23/89/570672389.db2.gz QCCBYUBBOXEWPX-JOCHJYFZSA-N 0 0 396.450 4.777 50 0 GJAARN Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)c2cccc(-c3ccccc3)c2n1 ZINC000033036659 570672534 /nfs/dbraw/zinc/67/25/34/570672534.db2.gz GIDSZPVWFOAJCZ-UHFFFAOYSA-N 0 0 396.446 4.869 50 0 GJAARN CCc1cccc(NC(=O)c2ccc3c(c2)N(CC)[C@@H]2CCCCCN2C3=O)c1 ZINC000169765994 570672578 /nfs/dbraw/zinc/67/25/78/570672578.db2.gz PTYVXGQXAJYPMR-QFIPXVFZSA-N 0 0 391.515 4.684 50 0 GJAARN COc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1OCc1cccnc1 ZINC000036391034 570673837 /nfs/dbraw/zinc/67/38/37/570673837.db2.gz RAWBJGMNXAIRMX-UHFFFAOYSA-N 0 0 386.810 4.714 50 0 GJAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCS1 ZINC000219267448 570676089 /nfs/dbraw/zinc/67/60/89/570676089.db2.gz UEDBZWGDHCWVDE-NRFANRHFSA-N 0 0 395.503 4.845 50 0 GJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000005632557 570676428 /nfs/dbraw/zinc/67/64/28/570676428.db2.gz XPTJBPANXLZPMG-CQSZACIVSA-N 0 0 380.394 4.708 50 0 GJAARN Cc1cc(Cl)ccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000054254184 570676625 /nfs/dbraw/zinc/67/66/25/570676625.db2.gz IRUQXVLCCQOGKJ-VMPITWQZSA-N 0 0 385.964 4.676 50 0 GJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1sc2ccccc2c1Cl ZINC000036392910 570676604 /nfs/dbraw/zinc/67/66/04/570676604.db2.gz PIIIPVBVTPSYIW-ZDUSSCGKSA-N 0 0 396.903 4.969 50 0 GJAARN CC(C)c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000054263429 570677197 /nfs/dbraw/zinc/67/71/97/570677197.db2.gz OTQWHPZGSDRJBA-RMKNXTFCSA-N 0 0 379.573 4.838 50 0 GJAARN Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442001 570677495 /nfs/dbraw/zinc/67/74/95/570677495.db2.gz NSOZGYQQEZETMB-UHFFFAOYSA-N 0 0 396.422 4.835 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000006883005 570678808 /nfs/dbraw/zinc/67/88/08/570678808.db2.gz ANNQJOYTCIDSLM-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN CCCCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc21 ZINC000032593475 570679056 /nfs/dbraw/zinc/67/90/56/570679056.db2.gz OVTZWTGBQHKIQU-UHFFFAOYSA-N 0 0 396.418 4.658 50 0 GJAARN C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(Br)cnc1Cl ZINC000060359019 570679159 /nfs/dbraw/zinc/67/91/59/570679159.db2.gz XUMBXEUJTBSBMX-GFCCVEGCSA-N 0 0 395.728 4.984 50 0 GJAARN CCCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2CC)cc1 ZINC000008134571 570679231 /nfs/dbraw/zinc/67/92/31/570679231.db2.gz FTGAGEGLECNFDN-UHFFFAOYSA-N 0 0 381.501 4.770 50 0 GJAARN Cc1ccc2c(Cl)c(C(=O)NCCc3nc(-c4ccccc4)no3)sc2c1 ZINC000032593865 570679452 /nfs/dbraw/zinc/67/94/52/570679452.db2.gz RZLYYABZEFKBQN-UHFFFAOYSA-N 0 0 397.887 4.886 50 0 GJAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 ZINC000032594077 570679584 /nfs/dbraw/zinc/67/95/84/570679584.db2.gz QHRQYRYDZKIOHQ-LJQANCHMSA-N 0 0 395.434 4.551 50 0 GJAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)OC/C=C/c1ccccc1 ZINC000007988655 570679661 /nfs/dbraw/zinc/67/96/61/570679661.db2.gz RETUHCFLYUFYDT-RMKNXTFCSA-N 0 0 385.872 4.541 50 0 GJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1 ZINC000238899952 570679867 /nfs/dbraw/zinc/67/98/67/570679867.db2.gz HJNSNAVAQFNFFI-UHFFFAOYSA-N 0 0 377.375 4.604 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccccc1C)c1ccccc1 ZINC000006887220 570682195 /nfs/dbraw/zinc/68/21/95/570682195.db2.gz FDDDUPLBHZVVAX-QFIPXVFZSA-N 0 0 389.451 4.849 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1OC(F)F ZINC000036397674 570682237 /nfs/dbraw/zinc/68/22/37/570682237.db2.gz SGVYHHXXZUJFAF-UHFFFAOYSA-N 0 0 394.761 4.857 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc(-n2nc(C)c3c2nc(C)cc3C)cc1 ZINC000036398336 570683468 /nfs/dbraw/zinc/68/34/68/570683468.db2.gz LJRPRZAWKHLVNZ-UHFFFAOYSA-N 0 0 386.455 4.607 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055152900 570684403 /nfs/dbraw/zinc/68/44/03/570684403.db2.gz HARVFGYHTIRLQW-VMPITWQZSA-N 0 0 389.421 4.568 50 0 GJAARN COCc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1 ZINC000239882354 570684541 /nfs/dbraw/zinc/68/45/41/570684541.db2.gz DBJIHCVWIVHZQZ-UHFFFAOYSA-N 0 0 389.455 5.038 50 0 GJAARN CCn1nc(C)c(CCC(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)c1C ZINC000169773999 570685417 /nfs/dbraw/zinc/68/54/17/570685417.db2.gz AWYJZONXDRKLQI-IBGZPJMESA-N 0 0 398.938 4.781 50 0 GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000065084665 570687225 /nfs/dbraw/zinc/68/72/25/570687225.db2.gz BKBUNJMTAWQIOR-UHFFFAOYSA-N 0 0 380.875 4.936 50 0 GJAARN CCCCC(=O)Nc1ccc(NC(=O)Cc2csc(SCC)n2)cc1 ZINC000055224913 570687883 /nfs/dbraw/zinc/68/78/83/570687883.db2.gz MQGDZNXHUGKIBR-UHFFFAOYSA-N 0 0 377.535 4.565 50 0 GJAARN CCOc1ccc(N(CC)C(=O)c2noc3c2COc2ccc(C)cc2-3)cc1 ZINC000006893168 570691230 /nfs/dbraw/zinc/69/12/30/570691230.db2.gz VUCGPQXIFTYZGO-UHFFFAOYSA-N 0 0 378.428 4.608 50 0 GJAARN COc1ccc(N[C@H](c2nnnn2-c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000005798460 570692109 /nfs/dbraw/zinc/69/21/09/570692109.db2.gz BJSJFWGCOYWVAA-FQEVSTJZSA-N 0 0 391.862 4.526 50 0 GJAARN CCc1nnc(SCC(=O)N(CC)c2ccccc2)c2cc3sccc3n21 ZINC000006893879 570692919 /nfs/dbraw/zinc/69/29/19/570692919.db2.gz 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O=C(N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2)c1ccccc1F ZINC000007078721 570785258 /nfs/dbraw/zinc/78/52/58/570785258.db2.gz OVWASNXFOYMILS-OAQYLSRUSA-N 0 0 391.442 4.701 50 0 GJAARN O=C(COC(=O)CSc1ccc2ccccc2c1)NC1CCCCCCC1 ZINC000015181498 570787055 /nfs/dbraw/zinc/78/70/55/570787055.db2.gz CVGUAUPSSZVVBC-UHFFFAOYSA-N 0 0 385.529 4.704 50 0 GJAARN Cc1ccc(-c2nc(COc3ccccc3C(=O)N3CCCC3)c(C)o2)s1 ZINC000067714794 570787830 /nfs/dbraw/zinc/78/78/30/570787830.db2.gz UIXGJQNGGWEQPF-UHFFFAOYSA-N 0 0 382.485 4.835 50 0 GJAARN Cc1cc(CN2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)on1 ZINC000067740902 570789230 /nfs/dbraw/zinc/78/92/30/570789230.db2.gz UZAKJFVNSSPCDV-UHFFFAOYSA-N 0 0 392.480 4.965 50 0 GJAARN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000032753905 570796936 /nfs/dbraw/zinc/79/69/36/570796936.db2.gz FGDQAWMOGYJOFH-OXQOHEQNSA-N 0 0 379.456 4.824 50 0 GJAARN O=C(NCCc1ccccc1)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000036709609 570797265 /nfs/dbraw/zinc/79/72/65/570797265.db2.gz 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/nfs/dbraw/zinc/80/02/16/570800216.db2.gz PWYMMCGOMFIIGQ-UHFFFAOYSA-N 0 0 376.504 4.685 50 0 GJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007129969 570800222 /nfs/dbraw/zinc/80/02/22/570800222.db2.gz OCMAFIKYGVCLRV-OXQOHEQNSA-N 0 0 391.540 4.762 50 0 GJAARN COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1OC ZINC000004479341 570801655 /nfs/dbraw/zinc/80/16/55/570801655.db2.gz XONVAFWHMFBOMV-UHFFFAOYSA-N 0 0 380.878 4.795 50 0 GJAARN CCC[C@H](NC(=O)C1CCN(c2nc3cc(C)ccc3[nH]2)CC1)c1cccs1 ZINC000033070780 570802417 /nfs/dbraw/zinc/80/24/17/570802417.db2.gz OJGQQLWRSDNASH-SFHVURJKSA-N 0 0 396.560 4.807 50 0 GJAARN Cc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)c1 ZINC000005903033 570802655 /nfs/dbraw/zinc/80/26/55/570802655.db2.gz KCFBDKFNOCEFGI-ZIAGYGMSSA-N 0 0 385.464 4.542 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC1CCCC1 ZINC000005901560 570803089 /nfs/dbraw/zinc/80/30/89/570803089.db2.gz UQRQEQSVIBONPG-UHFFFAOYSA-N 0 0 377.513 4.895 50 0 GJAARN O=C(CCCc1nc2cccnc2n1-c1ccccc1)NC1CCCCCC1 ZINC000033072913 570804121 /nfs/dbraw/zinc/80/41/21/570804121.db2.gz DLSCERBZOJCUFQ-UHFFFAOYSA-N 0 0 376.504 4.582 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)s1 ZINC000033078435 570804865 /nfs/dbraw/zinc/80/48/65/570804865.db2.gz GPAFTRIACSCHOO-MRXNPFEDSA-N 0 0 394.544 4.726 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(CC)cc3)C2)s1 ZINC000033078323 570804919 /nfs/dbraw/zinc/80/49/19/570804919.db2.gz XTJNXVGMJMZQPN-MRXNPFEDSA-N 0 0 394.544 4.671 50 0 GJAARN Cc1c(C(=O)Nc2cc(C)ccc2C)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078941 570805286 /nfs/dbraw/zinc/80/52/86/570805286.db2.gz BQCOSNQQNUIUKB-UHFFFAOYSA-N 0 0 380.517 4.777 50 0 GJAARN Cc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)[nH]c1Cc1ccccc1 ZINC000004485560 570806180 /nfs/dbraw/zinc/80/61/80/570806180.db2.gz IYXNFSBFFUGBNW-HXUWFJFHSA-N 0 0 391.540 4.595 50 0 GJAARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc12 ZINC000033084540 570806117 /nfs/dbraw/zinc/80/61/17/570806117.db2.gz 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/nfs/dbraw/zinc/81/10/97/570811097.db2.gz PDHDDXMGGNHRMZ-UHFFFAOYSA-N 0 0 377.416 4.675 50 0 GJAARN O=C1OCC[C@@H]1Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005982241 570811415 /nfs/dbraw/zinc/81/14/15/570811415.db2.gz FORDMLWYGGJSGO-SFHVURJKSA-N 0 0 384.888 4.659 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCc2ccccc21 ZINC000005986089 570811812 /nfs/dbraw/zinc/81/18/12/570811812.db2.gz VQWHWGNRVBTIMN-UHFFFAOYSA-N 0 0 394.521 4.961 50 0 GJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(OCC)cc1 ZINC000101096042 570812256 /nfs/dbraw/zinc/81/22/56/570812256.db2.gz UFFZZUUWIYJZEN-UHFFFAOYSA-N 0 0 381.432 4.658 50 0 GJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nccn2-c2cccc(C)c2)c1C ZINC000036781859 570813071 /nfs/dbraw/zinc/81/30/71/570813071.db2.gz NJXHJRDQKLQELQ-KRWDZBQOSA-N 0 0 397.544 4.781 50 0 GJAARN CCCOc1c2cc(NC(=O)c3ccccc3F)ccc2sc1C(=O)OC ZINC000033123449 570815307 /nfs/dbraw/zinc/81/53/07/570815307.db2.gz WMGWVZZVNGCZPO-UHFFFAOYSA-N 0 0 387.432 4.868 50 0 GJAARN CCCOc1c2cc(NC(=O)c3cccs3)ccc2sc1C(=O)OC ZINC000033123462 570815730 /nfs/dbraw/zinc/81/57/30/570815730.db2.gz KTHQEEKJXCTJGG-UHFFFAOYSA-N 0 0 375.471 4.791 50 0 GJAARN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007217458 570817300 /nfs/dbraw/zinc/81/73/00/570817300.db2.gz HFSYZLIALBRNGV-CQSZACIVSA-N 0 0 396.896 4.615 50 0 GJAARN Cc1cccc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1C ZINC000033127821 570817378 /nfs/dbraw/zinc/81/73/78/570817378.db2.gz XUKJHJCMQDCRBS-HSZRJFAPSA-N 0 0 399.494 4.756 50 0 GJAARN COc1ccc(NC(=S)Nc2cc(C)ccc2C)cc1N1CCCCC1=O ZINC000036846364 570818432 /nfs/dbraw/zinc/81/84/32/570818432.db2.gz UCCLJQVUHHFASZ-UHFFFAOYSA-N 0 0 383.517 4.638 50 0 GJAARN CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 ZINC000007236882 570819495 /nfs/dbraw/zinc/81/94/95/570819495.db2.gz VYSGZEPNMZTXJN-MRXNPFEDSA-N 0 0 395.528 4.511 50 0 GJAARN CCCCCCc1cc2cc(C(=O)NCc3ccccc3)c(=O)oc2cc1O ZINC000004675170 570821297 /nfs/dbraw/zinc/82/12/97/570821297.db2.gz 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ZINC000007278992 570825768 /nfs/dbraw/zinc/82/57/68/570825768.db2.gz DTPIKKYHVMQZJW-QFIPXVFZSA-N 0 0 383.451 4.564 50 0 GJAARN C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000012517235 570826190 /nfs/dbraw/zinc/82/61/90/570826190.db2.gz DCLDZHXUGRCKRD-GFCCVEGCSA-N 0 0 392.286 4.559 50 0 GJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140161 570826834 /nfs/dbraw/zinc/82/68/34/570826834.db2.gz DGXFCVPEVBWZBE-UHFFFAOYSA-N 0 0 382.419 4.561 50 0 GJAARN Cc1cc(CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)no1 ZINC000005702232 570827641 /nfs/dbraw/zinc/82/76/41/570827641.db2.gz GGYWERBDDIPKGR-UHFFFAOYSA-N 0 0 380.448 4.971 50 0 GJAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007307012 570827936 /nfs/dbraw/zinc/82/79/36/570827936.db2.gz SWMCWYWGJALJAD-ZDUSSCGKSA-N 0 0 392.933 4.518 50 0 GJAARN Cc1cc(C)c2c(n1)sc1c2N[C@@H](c2cccc(Br)c2)NC1=O ZINC000012522005 570828434 /nfs/dbraw/zinc/82/84/34/570828434.db2.gz XXXOJNJUQZWXMQ-OAHLLOKOSA-N 0 0 388.290 4.530 50 0 GJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc2[nH]ccc21 ZINC000065523702 570830003 /nfs/dbraw/zinc/83/00/03/570830003.db2.gz HWHLOYAFSAKTFA-UHFFFAOYSA-N 0 0 384.848 4.602 50 0 GJAARN O=C(c1n[nH]cc1Cl)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071405652 570832882 /nfs/dbraw/zinc/83/28/82/570832882.db2.gz JGJUXVHSWHTAMS-GFCCVEGCSA-N 0 0 385.817 4.567 50 0 GJAARN Clc1nc2ccccc2c(Nc2ccc(N3CCOCC3)c(Cl)c2)n1 ZINC000004687582 570834032 /nfs/dbraw/zinc/83/40/32/570834032.db2.gz GFEPBUJALVOLDF-UHFFFAOYSA-N 0 0 375.259 4.517 50 0 GJAARN COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000002107088 570834285 /nfs/dbraw/zinc/83/42/85/570834285.db2.gz FWOFSGVAIHDXDD-FPHQJYPMSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN O=C(NCc1ccc(-n2ccnc2)cc1)C1(c2cccc(Cl)c2)CCCC1 ZINC000065554705 570834656 /nfs/dbraw/zinc/83/46/56/570834656.db2.gz XYSZTPHYLVFCPX-UHFFFAOYSA-N 0 0 379.891 4.654 50 0 GJAARN CCOc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 ZINC000004689662 570834861 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CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1 ZINC000004571468 570898865 /nfs/dbraw/zinc/89/88/65/570898865.db2.gz TUKAMVCXJFVPBW-HSZRJFAPSA-N 0 0 398.572 4.941 50 0 GJAARN CCN1c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2CC1=O ZINC000022506804 570899744 /nfs/dbraw/zinc/89/97/44/570899744.db2.gz IFCALWZLRIJIRZ-UHFFFAOYSA-N 0 0 385.467 4.507 50 0 GJAARN Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c(O)c1 ZINC000014809453 570902245 /nfs/dbraw/zinc/90/22/45/570902245.db2.gz RPNDBYMHUGBQGY-UHFFFAOYSA-N 0 0 379.435 4.547 50 0 GJAARN C/C=C/c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2C)c(OC)c1 ZINC000014386493 570905592 /nfs/dbraw/zinc/90/55/92/570905592.db2.gz RQDBLWKTXUPPTM-QPJJXVBHSA-N 0 0 380.488 4.654 50 0 GJAARN C[C@H](OCCCNC(=O)NCCCO[C@@H](C)c1ccccc1)c1ccccc1 ZINC000032907655 570908462 /nfs/dbraw/zinc/90/84/62/570908462.db2.gz ZNOXLOLWWIDKFK-PMACEKPBSA-N 0 0 384.520 4.621 50 0 GJAARN Cc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c2cccnc12 ZINC000032908720 570909414 /nfs/dbraw/zinc/90/94/14/570909414.db2.gz CULWAKLJMWGIHD-UHFFFAOYSA-N 0 0 397.272 4.907 50 0 GJAARN CCOc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3C)n2)cc1 ZINC000016842857 570913378 /nfs/dbraw/zinc/91/33/78/570913378.db2.gz WRELSEOVSMLQCR-UHFFFAOYSA-N 0 0 380.448 4.904 50 0 GJAARN CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000005735338 570914023 /nfs/dbraw/zinc/91/40/23/570914023.db2.gz FWONXBXDDJZNKB-SFHVURJKSA-N 0 0 389.521 4.513 50 0 GJAARN CCc1cc(-c2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000534653796 570915100 /nfs/dbraw/zinc/91/51/00/570915100.db2.gz KXGUOVSZGCVUQM-HNNXBMFYSA-N 0 0 377.463 4.987 50 0 GJAARN CC(C)(C)c1csc(CN2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000023137152 570915985 /nfs/dbraw/zinc/91/59/85/570915985.db2.gz QGOADWDOBBMZGB-UHFFFAOYSA-N 0 0 393.556 4.552 50 0 GJAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)cc1C ZINC000004585216 570916400 /nfs/dbraw/zinc/91/64/00/570916400.db2.gz NIXCBWBEYBNUFX-UHFFFAOYSA-N 0 0 383.451 4.622 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000004585439 570916775 /nfs/dbraw/zinc/91/67/75/570916775.db2.gz CXAPUCHKXQSSAX-UHFFFAOYSA-N 0 0 389.842 4.600 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000023140461 570917513 /nfs/dbraw/zinc/91/75/13/570917513.db2.gz ZHSKKCHPEUADFK-GFCCVEGCSA-N 0 0 388.880 4.863 50 0 GJAARN O=C(Nc1ncc(-c2ccccc2)s1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000089851260 570917839 /nfs/dbraw/zinc/91/78/39/570917839.db2.gz OEJSIOALKFMWEN-HOTGVXAUSA-N 0 0 383.473 4.523 50 0 GJAARN COc1ccc(NC(=O)/C=C/c2cnc3ccccc3n2)cc1Cc1ccccc1 ZINC000016274217 570920243 /nfs/dbraw/zinc/92/02/43/570920243.db2.gz QEGLFQGQULMLTR-WYMLVPIESA-N 0 0 395.462 4.881 50 0 GJAARN Cc1nc2sc([C@H](c3cccc(Cl)c3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000023157739 570920373 /nfs/dbraw/zinc/92/03/73/570920373.db2.gz MUZJPFBLOFZGSM-HSMVNMDESA-N 0 0 390.940 4.526 50 0 GJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Cl)nc1C ZINC000089969263 570922378 /nfs/dbraw/zinc/92/23/78/570922378.db2.gz KULABCJFJVBJHN-UHFFFAOYSA-N 0 0 386.710 4.811 50 0 GJAARN Cc1ccccc1-n1c(Cn2c3ccccc3sc2=O)nnc1SC(C)C ZINC000004062262 570927617 /nfs/dbraw/zinc/92/76/17/570927617.db2.gz YTRBMXMWRSYVKU-UHFFFAOYSA-N 0 0 396.541 4.501 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)Nc2nc3ccc(OCC)cc3s2)cc1 ZINC000004072468 570929859 /nfs/dbraw/zinc/92/98/59/570929859.db2.gz RURFTKIXCMMMHY-UHFFFAOYSA-N 0 0 385.445 4.516 50 0 GJAARN CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004074091 570930265 /nfs/dbraw/zinc/93/02/65/570930265.db2.gz GVIBMJZVMHMBKI-UNTFZJFLSA-N 0 0 384.516 4.733 50 0 biogenic GJAARN Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000006508778 570930608 /nfs/dbraw/zinc/93/06/08/570930608.db2.gz OVOIFXKKUCJITK-HKUYNNGSSA-N 0 0 375.299 4.750 50 0 GJAARN Cc1ccccc1NC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001063151 570930826 /nfs/dbraw/zinc/93/08/26/570930826.db2.gz MKFQYHIZIVZKCS-UHFFFAOYSA-N 0 0 380.344 4.821 50 0 GJAARN O=C(CSc1nccn1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000004248723 570932137 /nfs/dbraw/zinc/93/21/37/570932137.db2.gz SQIUFEXXVYJRFM-UHFFFAOYSA-N 0 0 391.418 4.681 50 0 GJAARN C[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004854581 570932577 /nfs/dbraw/zinc/93/25/77/570932577.db2.gz KIBKZTJXDIKILT-LNIIZBNTSA-N 0 0 393.486 4.510 50 0 GJAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000002877428 570934302 /nfs/dbraw/zinc/93/43/02/570934302.db2.gz ZCZSDKGNECAPBF-ROUUACIJSA-N 0 0 381.950 4.722 50 0 GJAARN COc1cc(C(=O)Nc2ccc(C)cc2Cl)cc(OC)c1Br ZINC000015424443 570934324 /nfs/dbraw/zinc/93/43/24/570934324.db2.gz JXBGEVLUQFLLDA-UHFFFAOYSA-N 0 0 384.657 4.680 50 0 GJAARN COc1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1OC(F)F ZINC000032925344 570937050 /nfs/dbraw/zinc/93/70/50/570937050.db2.gz MMSBKQQQZYGLLR-UHFFFAOYSA-N 0 0 390.308 4.637 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cc(Cl)ccc1F ZINC000007581027 570946201 /nfs/dbraw/zinc/94/62/01/570946201.db2.gz OZVRNVKXZJULGN-UHFFFAOYSA-N 0 0 378.856 4.775 50 0 GJAARN O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1SC(F)(F)F ZINC000032931757 570946532 /nfs/dbraw/zinc/94/65/32/570946532.db2.gz OAIVVORUCPTOCF-UHFFFAOYSA-N 0 0 377.391 4.665 50 0 GJAARN CC(C)CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C(C)C)cc1 ZINC000004732465 570947045 /nfs/dbraw/zinc/94/70/45/570947045.db2.gz LZJIXXPJVXELLX-UHFFFAOYSA-N 0 0 377.492 4.762 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(C)cc2)C1C(=O)OCC ZINC000004735550 570949802 /nfs/dbraw/zinc/94/98/02/570949802.db2.gz JWMYMVGHCHBMOA-NRFANRHFSA-N 0 0 375.472 4.977 50 0 GJAARN CCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000002111790 570950829 /nfs/dbraw/zinc/95/08/29/570950829.db2.gz QLKRITATAFOFFV-KVACCUTFSA-N 0 0 390.527 4.893 50 0 biogenic GJAARN COC[C@H]1CCN(C(=O)[C@@H]2[C@@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)C1 ZINC000585138643 570951181 /nfs/dbraw/zinc/95/11/81/570951181.db2.gz WLTQEJVLIIBEIM-SUOQRYFTSA-N 0 0 382.331 4.687 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(C4CCCC4)n3)cc2)cc1 ZINC000033276437 570951809 /nfs/dbraw/zinc/95/18/09/570951809.db2.gz AXRRRPZUMKVFAJ-UHFFFAOYSA-N 0 0 383.473 4.503 50 0 GJAARN COc1ccc(CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000032937545 570952406 /nfs/dbraw/zinc/95/24/06/570952406.db2.gz SWTDUVHFBUYUMQ-RUZDIDTESA-N 0 0 398.355 4.774 50 0 GJAARN CCc1nc2ccccc2c(OCC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000033287304 570955206 /nfs/dbraw/zinc/95/52/06/570955206.db2.gz XJSZVFAJDRCMIL-UHFFFAOYSA-N 0 0 376.243 4.517 50 0 GJAARN O=C(/C=C/c1ccc(Br)o1)OCc1cnc(-c2ccccc2)s1 ZINC000003306688 570956054 /nfs/dbraw/zinc/95/60/54/570956054.db2.gz HKRVGDZLBPJIOU-VQHVLOKHSA-N 0 0 390.258 4.922 50 0 GJAARN Cn1c(=S)n(CN2CC[C@H]3CCCC[C@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000252444027 570957041 /nfs/dbraw/zinc/95/70/41/570957041.db2.gz SUUKMYRYSFDUBL-ZBFHGGJFSA-N 0 0 376.957 4.741 50 0 GJAARN CC(C)COc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 ZINC000012111474 570959130 /nfs/dbraw/zinc/95/91/30/570959130.db2.gz SMPZSTNEBYWVCI-UHFFFAOYSA-N 0 0 395.459 4.811 50 0 GJAARN CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 ZINC000012111512 570959134 /nfs/dbraw/zinc/95/91/34/570959134.db2.gz MOBRKGHNWGOUKA-UHFFFAOYSA-N 0 0 381.432 4.565 50 0 GJAARN Cc1coc2cc3oc(=O)c(CC(=O)NCc4cccc(Cl)c4)c(C)c3cc12 ZINC000004744239 570959909 /nfs/dbraw/zinc/95/99/09/570959909.db2.gz PEHFVQRVMDXANS-UHFFFAOYSA-N 0 0 395.842 4.668 50 0 GJAARN O=C(CCC1CCCC1)N1CCC(Nc2ccc(Br)cc2)CC1 ZINC000004749396 570961172 /nfs/dbraw/zinc/96/11/72/570961172.db2.gz OHPXNSDMAPXFAE-UHFFFAOYSA-N 0 0 379.342 4.822 50 0 GJAARN CCc1ccc([C@@H](NC(=O)Cc2ccc(OC)cc2)c2cccc(F)c2)cc1 ZINC000012692855 570961210 /nfs/dbraw/zinc/96/12/10/570961210.db2.gz RNHHYCBFSLUGSO-XMMPIXPASA-N 0 0 377.459 4.845 50 0 GJAARN CC(C)c1csc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3)c2)n1 ZINC000033297724 570962126 /nfs/dbraw/zinc/96/21/26/570962126.db2.gz CADVUEBIXXLEDJ-UHFFFAOYSA-N 0 0 396.534 4.613 50 0 GJAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1 ZINC000012700225 570965481 /nfs/dbraw/zinc/96/54/81/570965481.db2.gz XZRKLIMYVOFOBW-CYBMUJFWSA-N 0 0 398.919 4.917 50 0 GJAARN CCc1ccc2nc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)sc2c1 ZINC000083825562 570966767 /nfs/dbraw/zinc/96/67/67/570966767.db2.gz AMWSLYMSSOCWRQ-GOEBONIOSA-N 0 0 385.489 4.572 50 0 GJAARN CCc1ccc([C@H]2C[C@@H](C)CCN2c2cc(C)nc3nc(C(F)(F)F)nn32)o1 ZINC000083825430 570966846 /nfs/dbraw/zinc/96/68/46/570966846.db2.gz YYSFDVBAEGICJS-SMDDNHRTSA-N 0 0 393.413 4.585 50 0 GJAARN COCc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000252478516 570966879 /nfs/dbraw/zinc/96/68/79/570966879.db2.gz AOSBVKWACVSFOF-UHFFFAOYSA-N 0 0 392.430 4.785 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 ZINC000012225660 570968294 /nfs/dbraw/zinc/96/82/94/570968294.db2.gz APNIVIYBVWIIBU-UHFFFAOYSA-N 0 0 392.459 4.577 50 0 GJAARN COc1cccc2cc(C(=O)NCC3(Sc4ccccc4)CCOCC3)oc21 ZINC000211071356 570968335 /nfs/dbraw/zinc/96/83/35/570968335.db2.gz ZTIMMACEHWYONI-UHFFFAOYSA-N 0 0 397.496 4.513 50 0 GJAARN O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1 ZINC000004166970 570970511 /nfs/dbraw/zinc/97/05/11/570970511.db2.gz QBTVTONFHSMAQU-UHFFFAOYSA-N 0 0 376.403 4.801 50 0 GJAARN Cc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F ZINC000107100830 570970879 /nfs/dbraw/zinc/97/08/79/570970879.db2.gz QFRHFWXSKALKON-UHFFFAOYSA-N 0 0 380.757 4.500 50 0 GJAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)CCC1CCCC1 ZINC000004513876 570971000 /nfs/dbraw/zinc/97/10/00/570971000.db2.gz LIZCZGPFPCZVST-QGZVFWFLSA-N 0 0 395.565 4.513 50 0 GJAARN CSc1cccc(NC(=O)c2c(C)sc3ncnc(N4CCCCC4)c32)c1 ZINC000033312553 570971586 /nfs/dbraw/zinc/97/15/86/570971586.db2.gz POUDOXDGGSSBNT-UHFFFAOYSA-N 0 0 398.557 4.964 50 0 GJAARN CC1=Nc2nc3ccccc3n2[C@H](c2cccnc2)C1C(=O)OC1CCCCC1 ZINC000004767925 570972763 /nfs/dbraw/zinc/97/27/63/570972763.db2.gz UVEVWKAJDVDIRV-OAQYLSRUSA-N 0 0 388.471 4.596 50 0 GJAARN COc1ccc(N2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000045942522 570973288 /nfs/dbraw/zinc/97/32/88/570973288.db2.gz YRZGKKLWTNKHKW-OAQYLSRUSA-N 0 0 375.399 4.892 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)C3CCCC3)cc2)cc(N2CCCCC2)n1 ZINC000033318342 570973397 /nfs/dbraw/zinc/97/33/97/570973397.db2.gz SRSNFILYQCZVRT-UHFFFAOYSA-N 0 0 379.508 4.648 50 0 GJAARN Cc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011339712 570974885 /nfs/dbraw/zinc/97/48/85/570974885.db2.gz DYTADNZVOLSQBP-UHFFFAOYSA-N 0 0 381.479 4.837 50 0 GJAARN COc1cccc(-c2nsc(NC(=O)c3cc(C)c(F)cc3Cl)n2)c1 ZINC000129626148 570975159 /nfs/dbraw/zinc/97/51/59/570975159.db2.gz VVLHASKYPJWQPR-UHFFFAOYSA-N 0 0 377.828 4.567 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000012734417 570976753 /nfs/dbraw/zinc/97/67/53/570976753.db2.gz IYYYVBPRFLXMFL-UHFFFAOYSA-N 0 0 394.427 4.582 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000044736710 570976802 /nfs/dbraw/zinc/97/68/02/570976802.db2.gz NWAXFXLYTZTACH-UHFFFAOYSA-N 0 0 391.496 4.571 50 0 GJAARN CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1Cl ZINC000004772644 570978250 /nfs/dbraw/zinc/97/82/50/570978250.db2.gz AVEBTIMALLPEHM-IBGZPJMESA-N 0 0 384.871 4.746 50 0 GJAARN Cc1nn(C)c(Sc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1 ZINC000001401146 570980728 /nfs/dbraw/zinc/98/07/28/570980728.db2.gz YNHMZOXXGGOCME-UHFFFAOYSA-N 0 0 375.856 4.925 50 0 GJAARN CC(C)Oc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 ZINC000033326283 570980857 /nfs/dbraw/zinc/98/08/57/570980857.db2.gz BLKNWNFDYNUFKT-UHFFFAOYSA-N 0 0 382.485 4.691 50 0 GJAARN NC(=O)[C@@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl ZINC000001400170 570981341 /nfs/dbraw/zinc/98/13/41/570981341.db2.gz XNYADOYXLCBLDN-QGZVFWFLSA-N 0 0 390.295 4.552 50 0 GJAARN CCSc1ccccc1C(=O)NC[C@H](c1cccs1)n1nc(C)cc1C ZINC000585148120 570981518 /nfs/dbraw/zinc/98/15/18/570981518.db2.gz LDLYBIAVHLHSSS-QGZVFWFLSA-N 0 0 385.558 4.693 50 0 GJAARN Cc1c(C)n(Cc2ccco2)c2ncnc(SCC(=O)c3cccs3)c12 ZINC000016622110 570982437 /nfs/dbraw/zinc/98/24/37/570982437.db2.gz SDTJFBMNNGTVNP-UHFFFAOYSA-N 0 0 383.498 4.726 50 0 GJAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(Cl)c1)SCC(=O)N2 ZINC000044920562 570983545 /nfs/dbraw/zinc/98/35/45/570983545.db2.gz XMJSFWGGGJPTPL-GOSISDBHSA-N 0 0 385.876 4.964 50 0 GJAARN Cc1ccc(C)c(CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000011363972 570985984 /nfs/dbraw/zinc/98/59/84/570985984.db2.gz MMQDXDPEYWOYBS-UHFFFAOYSA-N 0 0 396.903 4.671 50 0 GJAARN CC(C)c1ccc(-c2csc(NC(=O)CCNC(=O)c3ccsc3)n2)cc1 ZINC000012742498 570986346 /nfs/dbraw/zinc/98/63/46/570986346.db2.gz NLGBVBBOTOUWHY-UHFFFAOYSA-N 0 0 399.541 4.754 50 0 GJAARN FC(F)(F)c1cc(NCc2noc(C3CCOCC3)n2)cc(C(F)(F)F)c1 ZINC000153351565 570986788 /nfs/dbraw/zinc/98/67/88/570986788.db2.gz UZTJMMAVNRBXGU-UHFFFAOYSA-N 0 0 395.303 4.613 50 0 GJAARN COCc1c2ccccc2oc1C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000045097533 570987009 /nfs/dbraw/zinc/98/70/09/570987009.db2.gz UIPUOHSGHDXHBD-UHFFFAOYSA-N 0 0 379.441 4.680 50 0 GJAARN CCc1nc(NC(=O)c2cccc(F)c2)sc1-c1nc(-c2ccccc2)no1 ZINC000033331275 570987236 /nfs/dbraw/zinc/98/72/36/570987236.db2.gz KGHJBVBIMICPJQ-UHFFFAOYSA-N 0 0 394.431 4.814 50 0 GJAARN CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(F)c(F)c2F)cs1 ZINC000011370820 570987532 /nfs/dbraw/zinc/98/75/32/570987532.db2.gz PNWDROCYHGYCED-UHFFFAOYSA-N 0 0 392.402 4.807 50 0 GJAARN CN(Cc1ccccc1Cl)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000012745356 570988576 /nfs/dbraw/zinc/98/85/76/570988576.db2.gz GXFGPLFGZBECNT-UHFFFAOYSA-N 0 0 397.862 4.527 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000084017036 570990896 /nfs/dbraw/zinc/99/08/96/570990896.db2.gz BXGWYNUAIUKQFC-UHFFFAOYSA-N 0 0 376.847 4.943 50 0 GJAARN COc1cc(F)ccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000045522812 570991677 /nfs/dbraw/zinc/99/16/77/570991677.db2.gz BTBWUBMZHTXTEX-UHFFFAOYSA-N 0 0 393.340 4.600 50 0 GJAARN O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1cc(F)ccc1F ZINC000011373366 570995211 /nfs/dbraw/zinc/99/52/11/570995211.db2.gz ZCSZJECQJGTDIQ-UHFFFAOYSA-N 0 0 397.303 4.605 50 0 GJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(F)c(F)c1 ZINC000011378720 570995417 /nfs/dbraw/zinc/99/54/17/570995417.db2.gz 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O=C(O[C@@H](c1ccc2c(c1)OCO2)c1nccc2ccccc21)c1ccccc1 ZINC000000712517 212177119 /nfs/dbraw/zinc/17/71/19/212177119.db2.gz RPLKMVYEFYBCHZ-QHCPKHFHSA-N 0 0 383.403 4.910 50 0 GJAARN Clc1ccc(Cn2ncc3c2ncnc3N2CCCCCC2)c(Cl)c1 ZINC000000759435 212179856 /nfs/dbraw/zinc/17/98/56/212179856.db2.gz LGJBUUWTLBJPDV-UHFFFAOYSA-N 0 0 376.291 4.562 50 0 GJAARN Cc1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C ZINC000000669084 212172267 /nfs/dbraw/zinc/17/22/67/212172267.db2.gz HKUAMTFEOFWAMI-SFHVURJKSA-N 0 0 396.537 4.936 50 0 GJAARN COc1ccc([C@@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000662460 212171558 /nfs/dbraw/zinc/17/15/58/212171558.db2.gz ANHWSKCBERYBNG-HSZRJFAPSA-N 0 0 394.492 4.792 50 0 GJAARN CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 ZINC000000691579 212175168 /nfs/dbraw/zinc/17/51/68/212175168.db2.gz GPZOPAMXRBYQSQ-UHFFFAOYSA-N 0 0 381.501 4.798 50 0 GJAARN O=Cc1csc(Br)c1-c1c(Br)scc1C=O ZINC000000690360 212175033 /nfs/dbraw/zinc/17/50/33/212175033.db2.gz MBENIJOZFNGNTQ-UHFFFAOYSA-N 0 0 380.082 4.627 50 0 GJAARN O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1 ZINC000000695647 212175036 /nfs/dbraw/zinc/17/50/36/212175036.db2.gz JWYIVJUJWDLXNP-GFULKKFKSA-N 0 0 381.482 4.508 50 0 GJAARN COc1ccc(OC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000000676633 212173340 /nfs/dbraw/zinc/17/33/40/212173340.db2.gz WUPWQNFZEHXUOD-UHFFFAOYSA-N 0 0 387.229 4.595 50 0 GJAARN CC1(C)C[C@H](NC(=O)C2CCCCC2)C[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC000000669167 212172701 /nfs/dbraw/zinc/17/27/01/212172701.db2.gz FGHZXDKIKAURBN-RDPSFJRHSA-N 0 0 390.612 4.964 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3cc4ccccc4o3)coc2c1C ZINC000000630473 212167253 /nfs/dbraw/zinc/16/72/53/212167253.db2.gz SSYKBPDYQMJVGZ-CQSZACIVSA-N 0 0 392.407 4.845 50 0 biogenic GJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000000637475 212167307 /nfs/dbraw/zinc/16/73/07/212167307.db2.gz KVOILRVSIMOGCR-CYBMUJFWSA-N 0 0 377.271 4.602 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2c1ccc1cc(C)ccc12 ZINC000000637499 212167365 /nfs/dbraw/zinc/16/73/65/212167365.db2.gz UVKHAKIUGKSXPC-UHFFFAOYSA-N 0 0 387.435 4.817 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3cccs3)cc12 ZINC000000637503 212166674 /nfs/dbraw/zinc/16/66/74/212166674.db2.gz LNBMMGGPLBCMPY-UHFFFAOYSA-N 0 0 394.427 4.610 50 0 GJAARN CCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 ZINC000000624270 212166193 /nfs/dbraw/zinc/16/61/93/212166193.db2.gz PSEPCSDDEGJQAP-UHFFFAOYSA-N 0 0 395.528 4.513 50 0 GJAARN CCOC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCCC2 ZINC000000648107 212169739 /nfs/dbraw/zinc/16/97/39/212169739.db2.gz ZJNBCBFEOPPBED-UHFFFAOYSA-N 0 0 395.883 4.777 50 0 GJAARN COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000000647600 212169329 /nfs/dbraw/zinc/16/93/29/212169329.db2.gz FHYTVZHNAXYVSO-JOCHJYFZSA-N 0 0 386.451 4.861 50 0 GJAARN CCc1ccc(OC(=O)c2cc(Br)ccc2Br)cc1 ZINC000000642784 212168069 /nfs/dbraw/zinc/16/80/69/212168069.db2.gz XYBDOUXZHLJKBV-UHFFFAOYSA-N 0 0 384.067 4.993 50 0 GJAARN CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000009107134 212162907 /nfs/dbraw/zinc/16/29/07/212162907.db2.gz OFBHZMFVPRBDIE-UHFFFAOYSA-N 0 0 376.378 4.647 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000009164801 212164579 /nfs/dbraw/zinc/16/45/79/212164579.db2.gz GINNDECRXAGTST-UHFFFAOYSA-N 0 0 380.488 4.663 50 0 GJAARN OCc1ccccc1NCc1csc(-c2cccc(Br)c2)n1 ZINC000154488442 212159685 /nfs/dbraw/zinc/15/96/85/212159685.db2.gz NEBALFLEJWODCZ-UHFFFAOYSA-N 0 0 375.291 4.677 50 0 GJAARN O=C1OC(c2cccs2)=N/C1=C/c1sc(Oc2ccccc2)nc1Cl ZINC000096310814 212155719 /nfs/dbraw/zinc/15/57/19/212155719.db2.gz VVDMWUUXJAYEIM-PKNBQFBNSA-N 0 0 388.857 4.995 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccncc1 ZINC000020746112 212151311 /nfs/dbraw/zinc/15/13/11/212151311.db2.gz SWCJBXHDRWODPR-UHFFFAOYSA-N 0 0 376.799 4.761 50 0 GJAARN C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O ZINC000105365891 212157242 /nfs/dbraw/zinc/15/72/42/212157242.db2.gz GWXDJKCRYNAAKC-KCAOPCNBSA-N 0 0 396.502 4.593 50 0 biogenic GJAARN O=c1c(-c2ccccc2)coc2c1ccc1c2CN(Cc2cccs2)CO1 ZINC000020677968 212150776 /nfs/dbraw/zinc/15/07/76/212150776.db2.gz CJPUUCJVHFHEPP-UHFFFAOYSA-N 0 0 375.449 4.874 50 0 biogenic GJAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 ZINC000009660107 212148563 /nfs/dbraw/zinc/14/85/63/212148563.db2.gz DORFJNANHLCSBQ-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 GJAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3F)ccc2o1 ZINC000009660114 212148674 /nfs/dbraw/zinc/14/86/74/212148674.db2.gz DZWRHAMVQMITIV-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 GJAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(F)cc3Cl)n2)cc1 ZINC000263619360 212143205 /nfs/dbraw/zinc/14/32/05/212143205.db2.gz YJBXZDULPVIKLV-QGZVFWFLSA-N 0 0 385.826 4.815 50 0 GJAARN O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1ccco1 ZINC000001105764 212143111 /nfs/dbraw/zinc/14/31/11/212143111.db2.gz QARVHQHYIZLCED-UHFFFAOYSA-N 0 0 389.388 4.882 50 0 GJAARN Cc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(F)cc3)OC4)n2)cc1C ZINC000263619073 212142631 /nfs/dbraw/zinc/14/26/31/212142631.db2.gz WTCDCWXYQVLESC-HXUWFJFHSA-N 0 0 390.418 4.628 50 0 GJAARN Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4cccc(Cl)c4)no3)c2CO1 ZINC000263616772 212141674 /nfs/dbraw/zinc/14/16/74/212141674.db2.gz KKZAFKKVWLUNAI-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN Fc1cccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)c1 ZINC000263618346 212142240 /nfs/dbraw/zinc/14/22/40/212142240.db2.gz SNAHWLPOFFLAEK-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN O=C(NC(=S)Nc1cccc2ccc(O)cc21)c1ccc(Cl)cc1Cl ZINC000005581527 206228683 /nfs/dbraw/zinc/22/86/83/206228683.db2.gz BIGHPNWDKMLDJS-UHFFFAOYSA-N 0 0 391.279 4.979 50 0 GJAARN COc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)ccc2c1N ZINC000334162961 206255074 /nfs/dbraw/zinc/25/50/74/206255074.db2.gz JVCYMVMKJLDQIA-UHFFFAOYSA-N 0 0 375.453 4.806 50 0 GJAARN CC(C)(C)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000334162872 206255505 /nfs/dbraw/zinc/25/55/05/206255505.db2.gz SSEUSAYWDUPCJK-SFHVURJKSA-N 0 0 399.878 4.672 50 0 GJAARN COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)c(OC)c1)CC2 ZINC000007807397 206261749 /nfs/dbraw/zinc/26/17/49/206261749.db2.gz BUTOOPPHPSRCOQ-NTCAYCPXSA-N 0 0 375.424 4.525 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1ccc(O)cc1)CC(=O)O2 ZINC000253410914 206282471 /nfs/dbraw/zinc/28/24/71/206282471.db2.gz NYCDFLAYBBDBCG-GOSISDBHSA-N 0 0 398.414 4.915 50 0 biogenic GJAARN O=C(NCc1ccc(F)cc1Cl)c1ccc2c(c1)NC(=O)c1ccccc1N2 ZINC000253473886 206284149 /nfs/dbraw/zinc/28/41/49/206284149.db2.gz ZLQZSAQDPJFOJN-UHFFFAOYSA-N 0 0 395.821 4.718 50 0 GJAARN CCc1nc(C)sc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000257173744 206287175 /nfs/dbraw/zinc/28/71/75/206287175.db2.gz WBJDRTYSQLVLJA-UHFFFAOYSA-N 0 0 377.922 4.721 50 0 GJAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)c1 ZINC000263617108 206288599 /nfs/dbraw/zinc/28/85/99/206288599.db2.gz MCPQJYLEFRYBOD-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN Cc1oc2cc(Br)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C ZINC000000623678 206290625 /nfs/dbraw/zinc/29/06/25/206290625.db2.gz FDHSRIBXXJFEAJ-UHFFFAOYSA-N 0 0 383.238 4.630 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(F)c3)c(C)c2oc1=O ZINC000002092165 206291642 /nfs/dbraw/zinc/29/16/42/206291642.db2.gz YJKSBPPWWYHUPB-UHFFFAOYSA-N 0 0 398.430 4.624 50 0 biogenic GJAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000004083471 206292867 /nfs/dbraw/zinc/29/28/67/206292867.db2.gz UOGVUQZHAFLJIR-GBUCOABZSA-N 0 0 391.511 4.603 50 0 GJAARN CC(C)(C)OC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 ZINC000004586242 206293724 /nfs/dbraw/zinc/29/37/24/206293724.db2.gz OFLRIZGWCCBHBW-UHFFFAOYSA-N 0 0 392.407 4.927 50 0 biogenic GJAARN COc1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)cc1Cc1ccccc1 ZINC000096248593 206300844 /nfs/dbraw/zinc/30/08/44/206300844.db2.gz QEGLFQGQULMLTR-OWBHPGMISA-N 0 0 395.462 4.881 50 0 GJAARN O=C(/C=C\c1ccc2ccc(Cl)cc2n1)Nc1ccc2c(c1)OCCCO2 ZINC000096297794 206301145 /nfs/dbraw/zinc/30/11/45/206301145.db2.gz YMRUZFPVYSNMEZ-CLFYSBASSA-N 0 0 380.831 4.701 50 0 GJAARN O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cccc(Br)c1 ZINC000096759128 206301907 /nfs/dbraw/zinc/30/19/07/206301907.db2.gz FFGSACDSPUPQOQ-XYOKQWHBSA-N 0 0 387.664 4.757 50 0 GJAARN CC(C)OCCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 ZINC000096506619 206302092 /nfs/dbraw/zinc/30/20/92/206302092.db2.gz FVBMCDSVWSFHFP-XMHGGMMESA-N 0 0 384.476 4.728 50 0 GJAARN Cc1ccsc1/C=C(/Cl)c1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000097003053 206302222 /nfs/dbraw/zinc/30/22/22/206302222.db2.gz BPBLAPCJUGTIDY-MDWZMJQESA-N 0 0 393.896 4.714 50 0 GJAARN COc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000000622389 206307892 /nfs/dbraw/zinc/30/78/92/206307892.db2.gz GGXVXQMSRGMQDK-UHFFFAOYSA-N 0 0 381.859 4.858 50 0 GJAARN COc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000000628868 206309274 /nfs/dbraw/zinc/30/92/74/206309274.db2.gz WEAGPZGFKKRUAX-UHFFFAOYSA-N 0 0 386.300 4.883 50 0 GJAARN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3)nc12 ZINC000000629575 206309845 /nfs/dbraw/zinc/30/98/45/206309845.db2.gz ONXZLQVMLORXDW-UHFFFAOYSA-N 0 0 391.496 4.727 50 0 GJAARN CCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)c(C)nn1-c1ccccc1 ZINC000000630693 206309891 /nfs/dbraw/zinc/30/98/91/206309891.db2.gz VWVQQRIASMKGML-UHFFFAOYSA-N 0 0 379.460 4.604 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c1 ZINC000000628649 206309962 /nfs/dbraw/zinc/30/99/62/206309962.db2.gz GEZXPXPJFZKILI-UHFFFAOYSA-N 0 0 376.485 4.539 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1cc(C)ccc12 ZINC000000637492 206310212 /nfs/dbraw/zinc/31/02/12/206310212.db2.gz STLUHXLWVJUKME-UHFFFAOYSA-N 0 0 375.399 4.948 50 0 GJAARN CCOC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000000638617 206310405 /nfs/dbraw/zinc/31/04/05/206310405.db2.gz SCAMSIHLYSBNDS-UHFFFAOYSA-N 0 0 382.485 4.684 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 ZINC000000636830 206310714 /nfs/dbraw/zinc/31/07/14/206310714.db2.gz SJNOQHFPPBHTIM-LLVKDONJSA-N 0 0 377.893 4.955 50 0 GJAARN Clc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 ZINC000000633995 206310774 /nfs/dbraw/zinc/31/07/74/206310774.db2.gz VYCJGBJBVBQXLR-CVEARBPZSA-N 0 0 389.684 4.840 50 0 GJAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O ZINC000000642459 206311637 /nfs/dbraw/zinc/31/16/37/206311637.db2.gz ORVUTVCIUPRJDE-UHFFFAOYSA-N 0 0 392.933 4.723 50 0 GJAARN Cc1ccc(C(C)C)c(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1 ZINC000000643513 206311783 /nfs/dbraw/zinc/31/17/83/206311783.db2.gz MNRIHKRJSMHOJT-UHFFFAOYSA-N 0 0 375.877 4.754 50 0 GJAARN CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(C(=O)OC)cc1 ZINC000000645485 206311839 /nfs/dbraw/zinc/31/18/39/206311839.db2.gz NUFSLXQMZOYUNX-UHFFFAOYSA-N 0 0 378.428 4.504 50 0 GJAARN CCOc1ccc(C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OC)cc1 ZINC000000656121 206313604 /nfs/dbraw/zinc/31/36/04/206313604.db2.gz QXBUKBRVOCWPHF-UHFFFAOYSA-N 0 0 399.443 4.992 50 0 GJAARN Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2)cc1 ZINC000000670170 206314182 /nfs/dbraw/zinc/31/41/82/206314182.db2.gz QBBRKQLVCDLYPE-KRWDZBQOSA-N 0 0 387.435 4.676 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000000666511 206314719 /nfs/dbraw/zinc/31/47/19/206314719.db2.gz SFCJGZJBRBHKRU-UHFFFAOYSA-N 0 0 399.244 4.920 50 0 GJAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 ZINC000000674324 206315455 /nfs/dbraw/zinc/31/54/55/206315455.db2.gz SDOHDWCFLFKRSV-UHFFFAOYSA-N 0 0 386.517 4.623 50 0 GJAARN O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccs1 ZINC000000677110 206315612 /nfs/dbraw/zinc/31/56/12/206315612.db2.gz GPPKVFDJYJZZFE-GFCCVEGCSA-N 0 0 384.115 4.940 50 0 GJAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000000676876 206315676 /nfs/dbraw/zinc/31/56/76/206315676.db2.gz DENOVYSWMHEDID-ZDUSSCGKSA-N 0 0 387.501 4.554 50 0 GJAARN COC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1-c1ccc(OC)cc1 ZINC000000675760 206315811 /nfs/dbraw/zinc/31/58/11/206315811.db2.gz ORYFFKRLNCKSBK-UHFFFAOYSA-N 0 0 381.453 4.771 50 0 GJAARN Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000000677085 206315902 /nfs/dbraw/zinc/31/59/02/206315902.db2.gz QXNDKTOYVDYXAD-MXXWWZHRSA-N 0 0 379.459 4.700 50 0 GJAARN C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000000687071 206317188 /nfs/dbraw/zinc/31/71/88/206317188.db2.gz BQGXKFCXRUCRTO-QMMMGPOBSA-N 0 0 383.300 4.531 50 0 GJAARN CCN(CC)C(=O)c1ccc(-c2nnc(N3CCCCC3)c3ccccc32)cc1 ZINC000000891804 206331553 /nfs/dbraw/zinc/33/15/53/206331553.db2.gz OARDPPWVRUXGCE-UHFFFAOYSA-N 0 0 388.515 4.769 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c(C)c1 ZINC000000713071 206318736 /nfs/dbraw/zinc/31/87/36/206318736.db2.gz DISYEPKLKQUCSS-GOSISDBHSA-N 0 0 388.467 4.962 50 0 GJAARN Cc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000000714158 206318817 /nfs/dbraw/zinc/31/88/17/206318817.db2.gz NQWBGVZXPXWNFI-RCCKNPSSSA-N 0 0 383.403 4.559 50 0 GJAARN O=C(O[C@H](c1ccc2c(c1)OCO2)c1nccc2ccccc21)c1ccccc1 ZINC000000712519 206319210 /nfs/dbraw/zinc/31/92/10/206319210.db2.gz RPLKMVYEFYBCHZ-HSZRJFAPSA-N 0 0 383.403 4.910 50 0 GJAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CCCCC2)C1 ZINC000000758827 206319945 /nfs/dbraw/zinc/31/99/45/206319945.db2.gz QTORIVMCWNSTKP-CYBMUJFWSA-N 0 0 388.558 4.813 50 0 GJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2c2ccccc21 ZINC000000754978 206320964 /nfs/dbraw/zinc/32/09/64/206320964.db2.gz UJLFYDISOKCPGY-UJKMTWAASA-N 0 0 385.850 4.737 50 0 GJAARN CCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccncc2)n1 ZINC000000812438 206322846 /nfs/dbraw/zinc/32/28/46/206322846.db2.gz JJCCNMJLPACICH-UHFFFAOYSA-N 0 0 378.819 4.913 50 0 GJAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(Br)cc1Cl ZINC000000815651 206323717 /nfs/dbraw/zinc/32/37/17/206323717.db2.gz OAIBLUWKPJYFAA-UHFFFAOYSA-N 0 0 397.681 4.975 50 0 GJAARN C[C@@H](NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21)c1ccccc1 ZINC000000818533 206324007 /nfs/dbraw/zinc/32/40/07/206324007.db2.gz UUJXPTHUSLPCJX-MRXNPFEDSA-N 0 0 388.492 4.811 50 0 GJAARN 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CCS(=O)(=O)c1ccc(-c2csc(-c3ccccn3)n2)c(Cl)c1Cl ZINC000001393788 206377998 /nfs/dbraw/zinc/37/79/98/206377998.db2.gz FPJWSDLRFZKSBC-UHFFFAOYSA-N 0 0 399.324 4.973 50 0 GJAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1 ZINC000001392117 206378072 /nfs/dbraw/zinc/37/80/72/206378072.db2.gz USSZAILPXHBTOI-UHFFFAOYSA-N 0 0 389.333 4.526 50 0 GJAARN Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccccc1 ZINC000001401135 206378884 /nfs/dbraw/zinc/37/88/84/206378884.db2.gz LQGZCRGBONHRQI-UHFFFAOYSA-N 0 0 375.350 4.792 50 0 GJAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000001424226 206380488 /nfs/dbraw/zinc/38/04/88/206380488.db2.gz WWODMUHSIJBPDI-NQIIRXRSSA-N 0 0 390.464 4.777 50 0 GJAARN CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000001424433 206380740 /nfs/dbraw/zinc/38/07/40/206380740.db2.gz JHGYSBYNDRMBRI-UHFFFAOYSA-N 0 0 390.314 4.706 50 0 GJAARN O=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)N1CCc1ccc(Cl)cc1 ZINC000001422997 206380943 /nfs/dbraw/zinc/38/09/43/206380943.db2.gz 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O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccccc1Cl ZINC000021639163 207232621 /nfs/dbraw/zinc/23/26/21/207232621.db2.gz KSLMAFLZKFWQSC-IBGZPJMESA-N 0 0 389.842 4.909 50 0 GJAARN Cc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)c(C)c3)n2)s1 ZINC000021659723 207233921 /nfs/dbraw/zinc/23/39/21/207233921.db2.gz YUURRXFZDWQMCE-UHFFFAOYSA-N 0 0 379.894 4.554 50 0 GJAARN COc1ccc(-c2nc3ccccc3c3nnc(SCc4ccncc4)n32)cc1 ZINC000021727109 207236119 /nfs/dbraw/zinc/23/61/19/207236119.db2.gz JHVMDQJBUJSXHA-UHFFFAOYSA-N 0 0 399.479 4.640 50 0 GJAARN CCCc1cc([C@@H]2CCCN2Cc2cc(Br)ccc2OC)no1 ZINC000021720139 207236256 /nfs/dbraw/zinc/23/62/56/207236256.db2.gz XPXVLDGCRYUMRG-KRWDZBQOSA-N 0 0 379.298 4.735 50 0 GJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccc(C)cc5)c4ncn3n2)cc1 ZINC000021801204 207237466 /nfs/dbraw/zinc/23/74/66/207237466.db2.gz PWSRDWZOADFOAY-UHFFFAOYSA-N 0 0 397.482 4.593 50 0 GJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)cc1 ZINC000021788417 207237861 /nfs/dbraw/zinc/23/78/61/207237861.db2.gz 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207243076 /nfs/dbraw/zinc/24/30/76/207243076.db2.gz YGVKEUIBBHHTNN-UHFFFAOYSA-N 0 0 398.304 4.835 50 0 GJAARN CN(CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1 ZINC000021934215 207243921 /nfs/dbraw/zinc/24/39/21/207243921.db2.gz HAJWBBPBBJSLBT-UHFFFAOYSA-N 0 0 396.494 4.553 50 0 GJAARN COCCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccco1)CC[C@@H](C)C3 ZINC000022385845 207253873 /nfs/dbraw/zinc/25/38/73/207253873.db2.gz MHGQECRBWUNUMD-GFCCVEGCSA-N 0 0 385.485 4.793 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1(c2ccc(Cl)cc2)CC1 ZINC000022924498 207264305 /nfs/dbraw/zinc/26/43/05/207264305.db2.gz LARLSBSZAMMFQG-UHFFFAOYSA-N 0 0 398.871 4.863 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccco2)no1 ZINC000022462142 207255876 /nfs/dbraw/zinc/25/58/76/207255876.db2.gz JTQGFNXBGCAFFY-UHFFFAOYSA-N 0 0 379.803 4.831 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)N(C(=O)C=C(C)C)CC2 ZINC000022653407 207257616 /nfs/dbraw/zinc/25/76/16/207257616.db2.gz DFEQPKPZJKVXIE-JOCHJYFZSA-N 0 0 385.891 4.798 50 0 GJAARN COc1ccc(-c2ccc(C(=O)N3CCCCCCC3)s2)c(OC)c1OC ZINC000022658864 207258321 /nfs/dbraw/zinc/25/83/21/207258321.db2.gz ZZYHNWAUUYLDGD-UHFFFAOYSA-N 0 0 389.517 4.847 50 0 GJAARN CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)CCSC ZINC000022639410 207258467 /nfs/dbraw/zinc/25/84/67/207258467.db2.gz SYOZOKNKVOHAMC-ZDUSSCGKSA-N 0 0 377.531 4.768 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000022660866 207258984 /nfs/dbraw/zinc/25/89/84/207258984.db2.gz KREBUXLXOHHESU-CQSZACIVSA-N 0 0 389.517 4.846 50 0 GJAARN Cc1cc2sc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)nc2c(C)c1 ZINC000023053342 207268348 /nfs/dbraw/zinc/26/83/48/207268348.db2.gz SSCUFFKTOCFGGJ-UHFFFAOYSA-N 0 0 383.498 4.600 50 0 GJAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@H]1Cc2ccccc2S1 ZINC000023074325 207268881 /nfs/dbraw/zinc/26/88/81/207268881.db2.gz MEQFOPNMVSFVOR-OAHLLOKOSA-N 0 0 387.810 4.937 50 0 GJAARN CC(C)Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000023126277 207270725 /nfs/dbraw/zinc/27/07/25/207270725.db2.gz 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O=C(CCCCc1nc2ccccc2s1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000024986427 207299830 /nfs/dbraw/zinc/29/98/30/207299830.db2.gz OXRUITKLJRGJLX-UHFFFAOYSA-N 0 0 393.512 4.540 50 0 GJAARN COc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000024355936 207290220 /nfs/dbraw/zinc/29/02/20/207290220.db2.gz YVDFVNUEKRWGGR-GDNBJRDFSA-N 0 0 389.839 4.675 50 0 GJAARN CN(Cc1cnn(C)c1)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000024474094 207291266 /nfs/dbraw/zinc/29/12/66/207291266.db2.gz RYDIPVPRESXQSK-OAQYLSRUSA-N 0 0 399.947 4.555 50 0 GJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2[nH]cnc2c1 ZINC000024503810 207292076 /nfs/dbraw/zinc/29/20/76/207292076.db2.gz RBCUEUPSNKLWAS-INIZCTEOSA-N 0 0 398.466 4.648 50 0 GJAARN COCc1c(C(=O)NCc2nc3ccccc3s2)sc2cccc(F)c21 ZINC000024588701 207292203 /nfs/dbraw/zinc/29/22/03/207292203.db2.gz SYTRNHLXVWVROH-UHFFFAOYSA-N 0 0 386.473 4.727 50 0 GJAARN CN(Cc1ccc(Cl)s1)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000024601576 207293779 /nfs/dbraw/zinc/29/37/79/207293779.db2.gz POEQASUKSGBHJX-UHFFFAOYSA-N 0 0 391.905 4.592 50 0 GJAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccccc3Cl)CCCC2)c1 ZINC000024763583 207294312 /nfs/dbraw/zinc/29/43/12/207294312.db2.gz OYBHZUYKVYZNES-UHFFFAOYSA-N 0 0 391.920 4.682 50 0 GJAARN CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000024839667 207295773 /nfs/dbraw/zinc/29/57/73/207295773.db2.gz VBQVQFLUJPNDMS-RUDMXATFSA-N 0 0 393.668 4.713 50 0 GJAARN CC(C)[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc2ccccc2[nH]1 ZINC000024828304 207295803 /nfs/dbraw/zinc/29/58/03/207295803.db2.gz HJSNIGSTQAKIKC-JOCHJYFZSA-N 0 0 388.471 4.664 50 0 GJAARN CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000025288634 207302767 /nfs/dbraw/zinc/30/27/67/207302767.db2.gz NMJGEEYTJPZRCL-UHFFFAOYSA-N 0 0 377.469 4.922 50 0 GJAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000025436321 207303801 /nfs/dbraw/zinc/30/38/01/207303801.db2.gz QRLRWKZFEAJWAR-JXMROGBWSA-N 0 0 396.534 4.754 50 0 GJAARN C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 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CCC(C)(C)NC(=O)c1cccc(-c2cc(Oc3ccccc3OC)ncn2)c1 ZINC000064578453 207804580 /nfs/dbraw/zinc/80/45/80/207804580.db2.gz OCWGMJYSLOXRCI-UHFFFAOYSA-N 0 0 391.471 4.863 50 0 GJAARN COc1cccc2c(Nc3cccc(C)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568489 207804674 /nfs/dbraw/zinc/80/46/74/207804674.db2.gz TVJCYIDJBYYCSC-UHFFFAOYSA-N 0 0 375.472 4.922 50 0 GJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cc(C)cc(C)c3)n2)c1 ZINC000064747455 207808011 /nfs/dbraw/zinc/80/80/11/207808011.db2.gz SJBFMQHQVMNHPE-IBGZPJMESA-N 0 0 392.459 4.731 50 0 GJAARN Cc1cccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C(C)(C)C)c3)nc12 ZINC000063845957 207795884 /nfs/dbraw/zinc/79/58/84/207795884.db2.gz NZLHCTTZDIFESW-MRXNPFEDSA-N 0 0 376.504 4.786 50 0 GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc(Cl)c2C)cc1C ZINC000065084727 207833489 /nfs/dbraw/zinc/83/34/89/207833489.db2.gz PFMNYXRSZTXRRR-UHFFFAOYSA-N 0 0 380.875 4.936 50 0 GJAARN CC(C)Cn1cc(CCNC(=O)Nc2ccc(F)c(Cl)c2)c2cccnc21 ZINC000065156692 207840902 /nfs/dbraw/zinc/84/09/02/207840902.db2.gz 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CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC)C1 ZINC000095511019 208215029 /nfs/dbraw/zinc/21/50/29/208215029.db2.gz GFQTZVXPHAOYBW-QGZVFWFLSA-N 0 0 378.520 4.747 50 0 GJAARN CC(C)c1cc(CN(C)C(=O)Nc2ccc(CCc3ccccn3)cc2)no1 ZINC000095517718 208216139 /nfs/dbraw/zinc/21/61/39/208216139.db2.gz QVKOUGBYASYAIB-UHFFFAOYSA-N 0 0 378.476 4.642 50 0 GJAARN Cc1ccc(N2CCCC2=O)cc1NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000096140289 208271226 /nfs/dbraw/zinc/27/12/26/208271226.db2.gz FXFDNQNSVCYWCJ-LJQANCHMSA-N 0 0 381.476 4.864 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000095962330 208245685 /nfs/dbraw/zinc/24/56/85/208245685.db2.gz OASRUQZYGCKPMR-UHFFFAOYSA-N 0 0 395.875 4.605 50 0 GJAARN COc1ccc(-c2nc(NC(=O)c3c(F)c(F)cc(F)c3F)sc2C)cc1 ZINC000095963528 208246148 /nfs/dbraw/zinc/24/61/48/208246148.db2.gz PSTFNODPMQLNBH-UHFFFAOYSA-N 0 0 396.365 4.936 50 0 GJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1csc(Cc2ccc(F)cc2)n1 ZINC000095966216 208246558 /nfs/dbraw/zinc/24/65/58/208246558.db2.gz 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CC1CCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000003063931 220600906 /nfs/dbraw/zinc/60/09/06/220600906.db2.gz MNKSTBHRFFNIOB-MOSHPQCFSA-N 0 0 378.497 4.644 50 0 GJAARN O=C(OCCSc1cnc2ccccc2n1)c1cc(Cl)cc(Cl)c1 ZINC000003127591 220604507 /nfs/dbraw/zinc/60/45/07/220604507.db2.gz HVGKMMYZIBLIMJ-UHFFFAOYSA-N 0 0 379.268 4.886 50 0 GJAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3ccccc3C)C2=O)cc1 ZINC000003223584 220611912 /nfs/dbraw/zinc/61/19/12/220611912.db2.gz PMVRMFSAAYRQHC-PXLXIMEGSA-N 0 0 398.462 4.639 50 0 GJAARN CCc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000003238786 220613752 /nfs/dbraw/zinc/61/37/52/220613752.db2.gz JGQCYXDTOKVEGV-UHFFFAOYSA-N 0 0 385.891 4.896 50 0 GJAARN COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2)ccc1OC(F)F ZINC000003266823 220618079 /nfs/dbraw/zinc/61/80/79/220618079.db2.gz ZTFZTRLQPQLHIA-YCRREMRBSA-N 0 0 398.203 4.711 50 0 GJAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000003395791 220640084 /nfs/dbraw/zinc/64/00/84/220640084.db2.gz 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COc1ccc(CSc2nnc(-c3cccnc3)s2)cc1Br ZINC000005063777 220823500 /nfs/dbraw/zinc/82/35/00/220823500.db2.gz KJFFKDSTQNOJEW-UHFFFAOYSA-N 0 0 394.319 4.664 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1cccs1 ZINC000005175791 220839594 /nfs/dbraw/zinc/83/95/94/220839594.db2.gz GGPXEJFOAULABV-SFHVURJKSA-N 0 0 379.481 4.623 50 0 GJAARN COC(=O)c1ccc(N2C(=O)CS[C@H]2c2cccc(Cl)c2Cl)cc1 ZINC000005187082 220840732 /nfs/dbraw/zinc/84/07/32/220840732.db2.gz JNQAGMKCVPTGTR-INIZCTEOSA-N 0 0 382.268 4.559 50 0 GJAARN Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4)c4ccccc4N23)c1C ZINC000005185725 220841959 /nfs/dbraw/zinc/84/19/59/220841959.db2.gz XDQORVXRPYKAGK-UHFFFAOYSA-N 0 0 398.466 4.826 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000005099389 220830193 /nfs/dbraw/zinc/83/01/93/220830193.db2.gz YRXPZHUYSBCFTF-UHFFFAOYSA-N 0 0 392.480 4.602 50 0 GJAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000005256211 220851621 /nfs/dbraw/zinc/85/16/21/220851621.db2.gz 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220892020 /nfs/dbraw/zinc/89/20/20/220892020.db2.gz HZOXKVOQOOFYIU-IBGZPJMESA-N 0 0 394.858 4.998 50 0 GJAARN O=c1nc(C=Cc2cccc(Br)c2)[nH]c2sc3c(c21)CCCC3 ZINC000005695744 220893014 /nfs/dbraw/zinc/89/30/14/220893014.db2.gz MECPXTSNJJWDCI-CMDGGOBGSA-N 0 0 387.302 4.796 50 0 GJAARN C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000005844898 220901714 /nfs/dbraw/zinc/90/17/14/220901714.db2.gz IHXMZAYPKRHDEK-NSHDSACASA-N 0 0 389.238 4.726 50 0 GJAARN COc1ccc(-n2cc(-c3nc4cccnc4[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000072149425 533212229 /nfs/dbraw/zinc/21/22/29/533212229.db2.gz BXCGTIZNWVNNFS-UHFFFAOYSA-N 0 0 385.402 4.625 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccnc1Cl ZINC000006047282 220914680 /nfs/dbraw/zinc/91/46/80/220914680.db2.gz AJPNJJPHLGXGPB-UHFFFAOYSA-N 0 0 386.860 4.893 50 0 GJAARN COc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1Cl ZINC000006302570 220927111 /nfs/dbraw/zinc/92/71/11/220927111.db2.gz YMIHLKAEPKQFRK-UHFFFAOYSA-N 0 0 386.835 4.785 50 0 GJAARN CC(C)CCN1c2cc(NC(=O)/C=C/c3ccoc3)ccc2OCC(C)(C)C1=O ZINC000096103563 209009127 /nfs/dbraw/zinc/00/91/27/209009127.db2.gz FTGUSCFVVZKURD-VMPITWQZSA-N 0 0 396.487 4.729 50 0 GJAARN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000096114068 209009837 /nfs/dbraw/zinc/00/98/37/209009837.db2.gz RRLBDVIERVZFEX-XLIONFOSSA-N 0 0 388.511 4.542 50 0 biogenic GJAARN COc1ccccc1NC(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119708 209010931 /nfs/dbraw/zinc/01/09/31/209010931.db2.gz HUZFTKFCFDVSJB-UHFFFAOYSA-N 0 0 390.399 4.573 50 0 GJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccccc4Cl)c3)C(=O)[C@H]2C1 ZINC000239309532 209017381 /nfs/dbraw/zinc/01/73/81/209017381.db2.gz HQPNSBBYHKECIY-COXVUDFISA-N 0 0 396.874 4.518 50 0 GJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3)cc12 ZINC000006337328 220930720 /nfs/dbraw/zinc/93/07/20/220930720.db2.gz JNQQZHFFQJFWCN-UHFFFAOYSA-N 0 0 379.460 4.524 50 0 GJAARN COc1cc([C@@H]2O[C@@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000245240108 209027429 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221133275 /nfs/dbraw/zinc/13/32/75/221133275.db2.gz LMRCXCVGHKYCIO-UHFFFAOYSA-N 0 0 377.209 4.890 50 0 GJAARN C[C@H](NC(=O)c1cc(COc2c(F)cccc2F)on1)c1ccccc1Cl ZINC000011874192 221133510 /nfs/dbraw/zinc/13/35/10/221133510.db2.gz GEEACDKBCJLWAR-NSHDSACASA-N 0 0 392.789 4.676 50 0 GJAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000011865508 221133635 /nfs/dbraw/zinc/13/36/35/221133635.db2.gz ZEXKPOGHQUIHFB-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 biogenic GJAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cccnc1Cl ZINC000011443785 221115537 /nfs/dbraw/zinc/11/55/37/221115537.db2.gz HBVGWXGRCFYMAM-UHFFFAOYSA-N 0 0 399.230 4.538 50 0 GJAARN Cc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1F ZINC000011464867 221115688 /nfs/dbraw/zinc/11/56/88/221115688.db2.gz NQNAXNFGYRQGAX-UHFFFAOYSA-N 0 0 380.297 4.560 50 0 GJAARN CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000011443397 221116056 /nfs/dbraw/zinc/11/60/56/221116056.db2.gz BAOIDISEUPKBHB-OAHLLOKOSA-N 0 0 393.512 4.509 50 0 GJAARN CCOc1ccc(Oc2ccc(NC(=O)CCc3c(C)nn(C)c3C)cc2)cc1 ZINC000011508378 221116290 /nfs/dbraw/zinc/11/62/90/221116290.db2.gz GNDYMJYJEAHVJS-UHFFFAOYSA-N 0 0 393.487 4.799 50 0 GJAARN CCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000011543299 221117240 /nfs/dbraw/zinc/11/72/40/221117240.db2.gz YZTSGMGVRPAFDE-UHFFFAOYSA-N 0 0 389.860 4.646 50 0 GJAARN CN(C)c1ccccc1C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000011660998 221118428 /nfs/dbraw/zinc/11/84/28/221118428.db2.gz XFTGZOIRMLTALR-OAQYLSRUSA-N 0 0 386.495 4.641 50 0 GJAARN O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccc(F)cc1Cl ZINC000011620681 221119139 /nfs/dbraw/zinc/11/91/39/221119139.db2.gz WYBCUCNNISXVGG-UHFFFAOYSA-N 0 0 382.266 4.783 50 0 GJAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2c(F)cccc2F)cc1 ZINC000011946286 221141399 /nfs/dbraw/zinc/14/13/99/221141399.db2.gz RYHLWQCOMMMIGX-LJQANCHMSA-N 0 0 395.453 4.902 50 0 GJAARN CCCSc1ncc(Br)c(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000011916175 221136610 /nfs/dbraw/zinc/13/66/10/221136610.db2.gz MMQCFEMSMHHRGI-UHFFFAOYSA-N 0 0 380.311 4.610 50 0 GJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1Cc1cccc(F)c1 ZINC000012305846 221177090 /nfs/dbraw/zinc/17/70/90/221177090.db2.gz RBVPZCJLGCAUOG-NRFANRHFSA-N 0 0 391.446 4.616 50 0 GJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)C2=CCCCC2)C3)s1 ZINC000012159975 221161596 /nfs/dbraw/zinc/16/15/96/221161596.db2.gz VDIOYUOGSSPVJS-QGZVFWFLSA-N 0 0 399.487 4.677 50 0 GJAARN O=C(CC1=CCCCC1)N1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000012203917 221168483 /nfs/dbraw/zinc/16/84/83/221168483.db2.gz BVWUGHPMQRNYJO-HSZRJFAPSA-N 0 0 388.502 4.670 50 0 GJAARN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)c1C ZINC000012511130 221200359 /nfs/dbraw/zinc/20/03/59/221200359.db2.gz NKJDAPOTGQWNTK-QFIPXVFZSA-N 0 0 394.540 4.692 50 0 GJAARN COc1ccc2cc([C@@H](C)C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000012526644 221202644 /nfs/dbraw/zinc/20/26/44/221202644.db2.gz UDEFIWJJDUJPBN-GOSISDBHSA-N 0 0 376.500 4.595 50 0 GJAARN COc1ccc(OCCCN2CCc3cc(-c4csc(C)n4)ccc32)cc1 ZINC000012533935 221202875 /nfs/dbraw/zinc/20/28/75/221202875.db2.gz KSIUNBOXZRVAOP-UHFFFAOYSA-N 0 0 380.513 4.959 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012551727 221204749 /nfs/dbraw/zinc/20/47/49/221204749.db2.gz LXOLSAMLWYNIEL-UHFFFAOYSA-N 0 0 375.403 4.613 50 0 GJAARN Cc1ccc(Oc2ccc(OCC(=O)N3CCC[C@@H]3c3cccnc3)cc2)cc1 ZINC000012553082 221205776 /nfs/dbraw/zinc/20/57/76/221205776.db2.gz OERAIMONJOFMLB-HSZRJFAPSA-N 0 0 388.467 4.925 50 0 GJAARN O=C(NCCSCc1ccco1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000012553043 221206132 /nfs/dbraw/zinc/20/61/32/221206132.db2.gz MIXXRZGVUWMQEM-UHFFFAOYSA-N 0 0 389.480 4.553 50 0 GJAARN CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000012558114 221206967 /nfs/dbraw/zinc/20/69/67/221206967.db2.gz UTRKISLBLADDRM-JTSKRJEESA-N 0 0 380.513 4.663 50 0 GJAARN Cc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(F)c1 ZINC000012558976 221207669 /nfs/dbraw/zinc/20/76/69/221207669.db2.gz JHYVBKIXKCEPKC-UHFFFAOYSA-N 0 0 375.403 4.613 50 0 GJAARN Clc1ccccc1OC1CCN(Cc2nc(CCc3ccccc3)no2)CC1 ZINC000012575053 221208433 /nfs/dbraw/zinc/20/84/33/221208433.db2.gz HJUVEQYULNSTHP-UHFFFAOYSA-N 0 0 397.906 4.552 50 0 GJAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000012573125 221209259 /nfs/dbraw/zinc/20/92/59/221209259.db2.gz WWODMUHSIJBPDI-WIYYLYMNSA-N 0 0 390.464 4.777 50 0 GJAARN O=C(CCc1ccco1)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012584912 221210403 /nfs/dbraw/zinc/21/04/03/221210403.db2.gz CCOWQKBZSQAXTD-LJQANCHMSA-N 0 0 387.479 4.586 50 0 GJAARN COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)[nH]3)c(C)o2)cc1 ZINC000012372648 221186078 /nfs/dbraw/zinc/18/60/78/221186078.db2.gz KTOSPVKPMBOSMG-UHFFFAOYSA-N 0 0 379.441 4.600 50 0 biogenic,in-vitro GJAARN Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC2CCCCC2)cc1 ZINC000012377899 221186189 /nfs/dbraw/zinc/18/61/89/221186189.db2.gz PWIXNOJQJZTTGN-JWGURIENSA-N 0 0 376.500 4.523 50 0 GJAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cnc(-c2ccccc2F)s1 ZINC000012390399 221189399 /nfs/dbraw/zinc/18/93/99/221189399.db2.gz CWCWOPJYNVHDNV-AWEZNQCLSA-N 0 0 393.487 4.720 50 0 GJAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 ZINC000012416179 221190030 /nfs/dbraw/zinc/19/00/30/221190030.db2.gz OORVBJAUAPTISU-CQSZACIVSA-N 0 0 387.361 4.584 50 0 GJAARN CCN(C(=O)CSc1nc2ccccc2c(=O)[nH]1)c1ccc(C(C)C)cc1 ZINC000012411827 221190536 /nfs/dbraw/zinc/19/05/36/221190536.db2.gz CKBCMZHRMWOXLD-UHFFFAOYSA-N 0 0 381.501 4.604 50 0 biogenic,in-vitro GJAARN COc1ccc([C@@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 ZINC000012636278 221216603 /nfs/dbraw/zinc/21/66/03/221216603.db2.gz QOQRTSPBXMGVNH-FQEVSTJZSA-N 0 0 380.517 4.515 50 0 GJAARN Cc1sc2ncnc(N[C@@H](C)C(=O)Nc3ccc4ccccc4c3)c2c1C ZINC000012681888 221217773 /nfs/dbraw/zinc/21/77/73/221217773.db2.gz HCUHVUHEKINQOU-ZDUSSCGKSA-N 0 0 376.485 4.900 50 0 GJAARN CCOc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O ZINC000012745119 221223611 /nfs/dbraw/zinc/22/36/11/221223611.db2.gz VVCKYKNMOITVOV-FYWRMAATSA-N 0 0 384.435 4.660 50 0 GJAARN CC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 ZINC000012734836 221222261 /nfs/dbraw/zinc/22/22/61/221222261.db2.gz FCJGPRJRMKOMAJ-UHFFFAOYSA-N 0 0 382.529 4.607 50 0 GJAARN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(F)c(F)cc1Cl ZINC000012749023 221224595 /nfs/dbraw/zinc/22/45/95/221224595.db2.gz DCERVDJSXYSOSL-UHFFFAOYSA-N 0 0 383.675 4.951 50 0 GJAARN CCCOc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000012755141 221225263 /nfs/dbraw/zinc/22/52/63/221225263.db2.gz RMZPUAWKBWZLPV-UHFFFAOYSA-N 0 0 378.428 4.680 50 0 GJAARN COc1ccc(OCc2cc(C(=O)Nc3ccc4c(c3)CCC4)c(C)o2)cc1 ZINC000012754585 221225423 /nfs/dbraw/zinc/22/54/23/221225423.db2.gz MBNAHBBJZLNLLU-UHFFFAOYSA-N 0 0 377.440 4.917 50 0 GJAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)cc1 ZINC000012756429 221227404 /nfs/dbraw/zinc/22/74/04/221227404.db2.gz WPBCYBMDISCWJM-UHFFFAOYSA-N 0 0 384.888 4.892 50 0 GJAARN CCc1nnsc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012764862 221227700 /nfs/dbraw/zinc/22/77/00/221227700.db2.gz GWUKPEFDKYGUQG-UHFFFAOYSA-N 0 0 380.498 4.553 50 0 GJAARN C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012772843 221229040 /nfs/dbraw/zinc/22/90/40/221229040.db2.gz RZOUMGXGFJZWKC-CYBMUJFWSA-N 0 0 391.298 4.540 50 0 GJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C)Cc1ccccc1 ZINC000012771243 221229229 /nfs/dbraw/zinc/22/92/29/221229229.db2.gz BAMGWLWELJMPFI-UHFFFAOYSA-N 0 0 384.483 4.951 50 0 GJAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 ZINC000012796027 221232671 /nfs/dbraw/zinc/23/26/71/221232671.db2.gz VMNTVIOWYBVUOX-TXEJJXNPSA-N 0 0 381.904 4.666 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012908232 221245044 /nfs/dbraw/zinc/24/50/44/221245044.db2.gz WILZJLMDICJMAN-NXTQRVMMSA-N 0 0 382.548 4.861 50 0 GJAARN CC(C)(C)c1nc(CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)no1 ZINC000012907047 221244274 /nfs/dbraw/zinc/24/42/74/221244274.db2.gz XHEDTAAIYZEXBO-UHFFFAOYSA-N 0 0 394.504 4.734 50 0 GJAARN COc1ccccc1CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000012805943 221235051 /nfs/dbraw/zinc/23/50/51/221235051.db2.gz VKVXAALHCCTKNK-UHFFFAOYSA-N 0 0 375.428 4.520 50 0 GJAARN CNc1nc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc21 ZINC000012814259 221236337 /nfs/dbraw/zinc/23/63/37/221236337.db2.gz AIBIYIZKTZFTEP-CQSZACIVSA-N 0 0 380.517 4.914 50 0 GJAARN Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000012857648 221238411 /nfs/dbraw/zinc/23/84/11/221238411.db2.gz DATXUFPISJYNHO-UHFFFAOYSA-N 0 0 375.497 4.592 50 0 GJAARN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OC)c1 ZINC000012856211 221238676 /nfs/dbraw/zinc/23/86/76/221238676.db2.gz PEEZSWQJYHVNBL-YXBWYFRISA-N 0 0 394.496 4.690 50 0 GJAARN CCOc1ccc(OCCNC(=O)c2oc3ccccc3c2CSC)cc1 ZINC000012860683 221239430 /nfs/dbraw/zinc/23/94/30/221239430.db2.gz OTHRKQVOSIZJTH-UHFFFAOYSA-N 0 0 385.485 4.503 50 0 GJAARN C[C@@H]1CCc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012872930 221240353 /nfs/dbraw/zinc/24/03/53/221240353.db2.gz MAVRVZCDVKCMNM-GOSISDBHSA-N 0 0 394.478 4.916 50 0 GJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012880186 221241301 /nfs/dbraw/zinc/24/13/01/221241301.db2.gz DJBXNRWJGDXHDA-YXJHDRRASA-N 0 0 387.911 4.798 50 0 GJAARN CC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Br)cc1 ZINC000012971746 221249982 /nfs/dbraw/zinc/24/99/82/221249982.db2.gz PVOMBNUWRRFLPE-CQSZACIVSA-N 0 0 392.322 4.587 50 0 GJAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1SCc1ccco1 ZINC000012973192 221250976 /nfs/dbraw/zinc/25/09/76/221250976.db2.gz PENJAVBJAJSHHS-UHFFFAOYSA-N 0 0 394.496 4.557 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3ccccc3Br)cc2)cs1 ZINC000012975636 221251399 /nfs/dbraw/zinc/25/13/99/221251399.db2.gz YMVYSSVFKZTNRN-UHFFFAOYSA-N 0 0 387.302 4.811 50 0 GJAARN C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 ZINC000013010768 221256334 /nfs/dbraw/zinc/25/63/34/221256334.db2.gz ILBNUEXGSVDXTM-GFCCVEGCSA-N 0 0 389.423 4.712 50 0 GJAARN CCOc1cc2c(cc1NC(=O)COc1cc(Cl)ccc1Cl)O[C@H](C)C2 ZINC000012999732 221255171 /nfs/dbraw/zinc/25/51/71/221255171.db2.gz GMWLDGYOGMARQQ-LLVKDONJSA-N 0 0 396.270 4.733 50 0 GJAARN Cc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c(C)n1C1CCCCC1 ZINC000013000882 221255247 /nfs/dbraw/zinc/25/52/47/221255247.db2.gz RZDLPHKBVIEFCS-UHFFFAOYSA-N 0 0 393.531 4.889 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)COC(=O)c3c(C)oc(C)c3C)n2)cc1 ZINC000012998739 221255393 /nfs/dbraw/zinc/25/53/93/221255393.db2.gz BWPQPGHWVNQFEC-UHFFFAOYSA-N 0 0 398.484 4.686 50 0 GJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000013001194 221255700 /nfs/dbraw/zinc/25/57/00/221255700.db2.gz NDBXSFGMYQNRHV-UHFFFAOYSA-N 0 0 396.487 4.827 50 0 GJAARN Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)sc1C ZINC000012910698 221245279 /nfs/dbraw/zinc/24/52/79/221245279.db2.gz MWGIWLSBISEYHN-UHFFFAOYSA-N 0 0 390.306 4.625 50 0 GJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC3)n2C2CCCC2)cc1 ZINC000012920770 221245793 /nfs/dbraw/zinc/24/57/93/221245793.db2.gz ZXZXSPIZSMCPKQ-UHFFFAOYSA-N 0 0 398.576 4.682 50 0 GJAARN O=C(Cc1cccs1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000013365120 221267138 /nfs/dbraw/zinc/26/71/38/221267138.db2.gz HHYYWLBCFPUVJF-UHFFFAOYSA-N 0 0 382.485 4.780 50 0 GJAARN Cc1ccc(C)c(Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1 ZINC000013017729 221257880 /nfs/dbraw/zinc/25/78/80/221257880.db2.gz JJQFRPBELXKZNU-UHFFFAOYSA-N 0 0 383.495 4.674 50 0 GJAARN CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccs3)C[C@@H]21 ZINC000013036506 221259450 /nfs/dbraw/zinc/25/94/50/221259450.db2.gz FMVNODGSQFGOKT-LAUBAEHRSA-N 0 0 377.469 4.784 50 0 GJAARN Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000013122578 221261481 /nfs/dbraw/zinc/26/14/81/221261481.db2.gz LQQXZIJRHRFAGZ-YADHBBJMSA-N 0 0 398.491 4.861 50 0 aggregator GJAARN COc1ccc(C)cc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013126585 221261533 /nfs/dbraw/zinc/26/15/33/221261533.db2.gz CKOFHFOSQNRNFD-MQVJKMGUSA-N 0 0 377.575 4.945 50 0 GJAARN COc1ccc(C=C2CCC[C@H]3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000013122039 221261772 /nfs/dbraw/zinc/26/17/72/221261772.db2.gz GOZPBMCCEGQPIM-BPENLDBLSA-N 0 0 392.524 4.958 50 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CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000014247977 221306713 /nfs/dbraw/zinc/30/67/13/221306713.db2.gz AQUZUHOQFJKQCP-QHCPKHFHSA-N 0 0 391.492 4.504 50 0 GJAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1cccc(Cl)c1 ZINC000014262158 221307844 /nfs/dbraw/zinc/30/78/44/221307844.db2.gz FKQNHCLMZLDOKN-UHFFFAOYSA-N 0 0 375.255 4.897 50 0 GJAARN CSc1ccc(C(=O)[C@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014966027 221321449 /nfs/dbraw/zinc/32/14/49/221321449.db2.gz NLNVMYDUISPVOU-INIZCTEOSA-N 0 0 386.586 4.839 50 0 GJAARN Cc1cccc(-n2nc(C(=O)N(C)Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000014609605 221313760 /nfs/dbraw/zinc/31/37/60/221313760.db2.gz INGJEQYZLHTWBA-UHFFFAOYSA-N 0 0 382.467 4.515 50 0 GJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(Cl)nc1 ZINC000014662664 221314355 /nfs/dbraw/zinc/31/43/55/221314355.db2.gz PQOLYEGNZQLKMU-UHFFFAOYSA-N 0 0 379.563 4.769 50 0 GJAARN CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cs1 ZINC000014776779 221316818 /nfs/dbraw/zinc/31/68/18/221316818.db2.gz CVFYGTRAMCSIPC-AWEZNQCLSA-N 0 0 384.476 4.768 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000014905996 221319175 /nfs/dbraw/zinc/31/91/75/221319175.db2.gz MFFHEOHTEMGHOH-GOSISDBHSA-N 0 0 384.907 4.954 50 0 GJAARN Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)[nH]n1 ZINC000015079832 221333126 /nfs/dbraw/zinc/33/31/26/221333126.db2.gz JXHFTMLODFSDGA-LJQANCHMSA-N 0 0 377.463 4.619 50 0 GJAARN C[C@H](SCc1ccccc1Br)C(=O)Nc1cc(F)ccc1F ZINC000015493175 221336131 /nfs/dbraw/zinc/33/61/31/221336131.db2.gz FYTGEIZEEKEQEA-JTQLQIEISA-N 0 0 386.261 4.988 50 0 GJAARN CSc1ccccc1C(=O)NC[C@H]1Cc2cccc(-c3ccc(C)cn3)c2O1 ZINC000014987035 221325484 /nfs/dbraw/zinc/32/54/84/221325484.db2.gz RZNVLRKDWNIOFI-QGZVFWFLSA-N 0 0 390.508 4.512 50 0 GJAARN O=C(CC1CC1)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000015007559 221325943 /nfs/dbraw/zinc/32/59/43/221325943.db2.gz BYAUGWKCERXUIS-HNNXBMFYSA-N 0 0 375.390 4.592 50 0 GJAARN CCOC(=O)Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000015671116 221338429 /nfs/dbraw/zinc/33/84/29/221338429.db2.gz PFDXCYWKVQEFDM-UHFFFAOYSA-N 0 0 381.457 4.560 50 0 GJAARN Cc1oc2nc(C)nc(N3CCCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000015727809 221340913 /nfs/dbraw/zinc/34/09/13/221340913.db2.gz HRNKUCGNCWHGDK-UHFFFAOYSA-N 0 0 378.476 4.816 50 0 GJAARN Cc1c(C[NH2+]Cc2cccs2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000015776981 221344305 /nfs/dbraw/zinc/34/43/05/221344305.db2.gz YIQBXVIOUHLLFI-UHFFFAOYSA-N 0 0 388.920 4.856 50 0 GJAARN Cc1c(C(=O)NCc2ccc(C)cc2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000015786517 221345509 /nfs/dbraw/zinc/34/55/09/221345509.db2.gz BAIQNNFWZHLFHY-UHFFFAOYSA-N 0 0 379.460 4.749 50 0 GJAARN CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000015838879 221346650 /nfs/dbraw/zinc/34/66/50/221346650.db2.gz PCLAANOROATHGI-UHFFFAOYSA-N 0 0 376.500 4.876 50 0 GJAARN CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832085 221346687 /nfs/dbraw/zinc/34/66/87/221346687.db2.gz OSLCNSLBIUZCCE-IBGZPJMESA-N 0 0 382.435 4.531 50 0 GJAARN CC[C@@]1(C)Cc2ccccc2-c2nc3n(CCC(C)C)nc(SC)n3c(=O)c21 ZINC000015839091 221346869 /nfs/dbraw/zinc/34/68/69/221346869.db2.gz XIQFUYMMPUTFQB-QFIPXVFZSA-N 0 0 396.560 4.550 50 0 GJAARN COc1cccc(CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)c1 ZINC000015825855 221347015 /nfs/dbraw/zinc/34/70/15/221347015.db2.gz USMSOYNRTGIDPQ-UHFFFAOYSA-N 0 0 389.499 4.723 50 0 GJAARN Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCC2)o1 ZINC000015860476 221348973 /nfs/dbraw/zinc/34/89/73/221348973.db2.gz FCTFAMSUGRFHNI-SFHVURJKSA-N 0 0 380.488 4.826 50 0 GJAARN Cc1ccc2[nH]c(CCc3cccc(NC(=O)Cc4ccc(F)cc4)c3)nc2c1 ZINC000015863580 221350363 /nfs/dbraw/zinc/35/03/63/221350363.db2.gz IZVPDYDUBDANBF-UHFFFAOYSA-N 0 0 387.458 4.977 50 0 GJAARN CCc1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1 ZINC000015883024 221351142 /nfs/dbraw/zinc/35/11/42/221351142.db2.gz HFKPMAJVIVZWQV-UHFFFAOYSA-N 0 0 384.838 4.504 50 0 GJAARN COc1cc(CN(C)Cn2c3ccccc3oc2=S)ccc1OC(F)F ZINC000016354550 221361049 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CSc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000016832645 221372804 /nfs/dbraw/zinc/37/28/04/221372804.db2.gz LUEFSGONXVXVFO-UHFFFAOYSA-N 0 0 386.480 4.909 50 0 GJAARN C[C@H](NC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1)c1ccccc1 ZINC000016849040 221372866 /nfs/dbraw/zinc/37/28/66/221372866.db2.gz VZIFSDILLXDMHZ-HNNXBMFYSA-N 0 0 394.500 4.597 50 0 GJAARN CCOc1cccc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)c(=N)oc21 ZINC000017079915 221378754 /nfs/dbraw/zinc/37/87/54/221378754.db2.gz IHTNZPNZCFDOMP-UHFFFAOYSA-N 0 0 391.452 4.687 50 0 GJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000017959861 221385105 /nfs/dbraw/zinc/38/51/05/221385105.db2.gz CXKPSMMIADRNEZ-QGZVFWFLSA-N 0 0 393.508 4.557 50 0 GJAARN O=C1[C@H]2[C@H](C(=O)N1Nc1ccccc1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000018113868 221387371 /nfs/dbraw/zinc/38/73/71/221387371.db2.gz VCDZWOTXDLWVDZ-UEQSERJNSA-N 0 0 394.474 4.752 50 0 GJAARN Cc1cc(=O)[nH]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000018088136 221387509 /nfs/dbraw/zinc/38/75/09/221387509.db2.gz RTXFAMSFKYMVDN-UHFFFAOYSA-N 0 0 395.871 4.804 50 0 GJAARN COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc32)cc1 ZINC000018074504 221387820 /nfs/dbraw/zinc/38/78/20/221387820.db2.gz CNHLONJADITFHE-OAQYLSRUSA-N 0 0 388.442 4.878 50 0 GJAARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccccc1Cl ZINC000018457918 221392240 /nfs/dbraw/zinc/39/22/40/221392240.db2.gz SFMJQMUKTPOXOX-LLVKDONJSA-N 0 0 375.856 4.989 50 0 GJAARN Cc1ccccc1C(=O)N[C@@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000019800745 221456663 /nfs/dbraw/zinc/45/66/63/221456663.db2.gz XQZVDHSTMZFEIM-KRWDZBQOSA-N 0 0 385.722 4.553 50 0 GJAARN CCc1ccc2oc(=O)cc(CN3CCN(c4cc(Cl)ccc4C)CC3)c2c1 ZINC000020213248 221478979 /nfs/dbraw/zinc/47/89/79/221478979.db2.gz JXEIZUMDQVFARJ-UHFFFAOYSA-N 0 0 396.918 4.639 50 0 GJAARN Cc1oc(-c2ccccc2F)nc1CSCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000020241289 221480944 /nfs/dbraw/zinc/48/09/44/221480944.db2.gz OESADTADNSXGEX-PMUMKWKESA-N 0 0 390.524 4.963 50 0 GJAARN O=C(Nc1cccc(Cl)c1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018793 221524161 /nfs/dbraw/zinc/52/41/61/221524161.db2.gz BUJXYDTWZLZQBR-HXUWFJFHSA-N 0 0 376.843 4.550 50 0 GJAARN Cc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc32)o1 ZINC000021156508 221527994 /nfs/dbraw/zinc/52/79/94/221527994.db2.gz NENIWRKDVYYEMT-UHFFFAOYSA-N 0 0 383.411 4.860 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(C)cc1)CC(=O)N2C ZINC000020890792 221515532 /nfs/dbraw/zinc/51/55/32/221515532.db2.gz QJEBMXDLRPUZNG-INIZCTEOSA-N 0 0 388.496 4.597 50 0 GJAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000002084707 533471461 /nfs/dbraw/zinc/47/14/61/533471461.db2.gz XTWXOXHMFGHROJ-KGENOOAVSA-N 0 0 399.446 4.927 50 0 GJAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3oc(C)cc3c2)cc1 ZINC000092027978 533549671 /nfs/dbraw/zinc/54/96/71/533549671.db2.gz RERGHSMOOCSLMB-NRFANRHFSA-N 0 0 379.456 4.571 50 0 GJAARN COc1cccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)c1 ZINC000064568331 136156945 /nfs/dbraw/zinc/15/69/45/136156945.db2.gz XVUKROFCYWFCPW-UHFFFAOYSA-N 0 0 375.472 4.794 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 ZINC000064872833 136158109 /nfs/dbraw/zinc/15/81/09/136158109.db2.gz RCBNEBJOZMEOLA-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000065025742 136158903 /nfs/dbraw/zinc/15/89/03/136158903.db2.gz KEMBZJLFLDIBRS-UHFFFAOYSA-N 0 0 376.435 4.525 50 0 GJAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)NC4CCCC4)CC3)c12 ZINC000065301557 136162930 /nfs/dbraw/zinc/16/29/30/136162930.db2.gz IZFCYMNPWUNNRE-UHFFFAOYSA-N 0 0 398.576 4.542 50 0 GJAARN O=C(Nc1ccccc1N1CCCCC1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000065437570 136164113 /nfs/dbraw/zinc/16/41/13/136164113.db2.gz RCBKVPCFBPKJNK-GOSISDBHSA-N 0 0 383.467 4.851 50 0 GJAARN COc1ccc2cc([C@H]3CN(c4nc(C)nc5sccc54)CCO3)ccc2c1 ZINC000071711930 136165699 /nfs/dbraw/zinc/16/56/99/136165699.db2.gz INECWDMIDDWXFH-HXUWFJFHSA-N 0 0 391.496 4.739 50 0 GJAARN O=C(c1cccnc1N1CCC[C@H](CCc2cccc(F)c2)C1)N1CCCCC1 ZINC000072480052 136171376 /nfs/dbraw/zinc/17/13/76/136171376.db2.gz JWZQSHLBIYSXBY-HXUWFJFHSA-N 0 0 395.522 4.696 50 0 GJAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 ZINC000084686988 136175133 /nfs/dbraw/zinc/17/51/33/136175133.db2.gz KASVQNJSKACMET-MLGOLLRUSA-N 0 0 386.904 4.687 50 0 GJAARN O=C(Nc1cccc(-c2nccnc2N2CCCCC2)c1)NC1CCCCC1 ZINC000096386576 136186751 /nfs/dbraw/zinc/18/67/51/136186751.db2.gz DQIOFUQKRCMWQJ-UHFFFAOYSA-N 0 0 379.508 4.588 50 0 GJAARN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)/C=C\c2cccc(F)c2)c2ccccc21 ZINC000096402571 136187034 /nfs/dbraw/zinc/18/70/34/136187034.db2.gz AZZXXUGEKOQVPT-DBGJCZDOSA-N 0 0 394.490 4.663 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(O)cc3)C2=O)cc1C ZINC000102575244 136190299 /nfs/dbraw/zinc/19/02/99/136190299.db2.gz VRKRRVPCBIYJGK-HMAPJEAMSA-N 0 0 384.435 4.649 50 0 GJAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCCc2ccccc21 ZINC000005147287 136194559 /nfs/dbraw/zinc/19/45/59/136194559.db2.gz XGCAOQAFHDGXDY-UHFFFAOYSA-N 0 0 391.471 4.724 50 0 GJAARN O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(F)cc1 ZINC000007573184 136195279 /nfs/dbraw/zinc/19/52/79/136195279.db2.gz IRDOSKOCQYILDQ-UHFFFAOYSA-N 0 0 376.435 4.525 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1C ZINC000008137475 136195491 /nfs/dbraw/zinc/19/54/91/136195491.db2.gz DFINJSCUIANHJN-UHFFFAOYSA-N 0 0 385.511 4.691 50 0 GJAARN CCc1ccc2c(CC(=O)Nc3cc(Cl)ccc3N3CCOCC3)coc2c1 ZINC000008393406 136195541 /nfs/dbraw/zinc/19/55/41/136195541.db2.gz MWEWRWMXQQZYJR-UHFFFAOYSA-N 0 0 398.890 4.666 50 0 GJAARN O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000170641790 136199240 /nfs/dbraw/zinc/19/92/40/136199240.db2.gz QXKUJORNYFALEU-UHFFFAOYSA-N 0 0 395.846 4.772 50 0 GJAARN Clc1ccc(C(c2ccc(Cl)cc2)N2CCN(c3ncccn3)CC2)cc1 ZINC000014110740 136201529 /nfs/dbraw/zinc/20/15/29/136201529.db2.gz HAAYXNHXJKQPAF-UHFFFAOYSA-N 0 0 399.325 4.695 50 0 GJAARN O=C(NCc1cccs1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503249 136204064 /nfs/dbraw/zinc/20/40/64/136204064.db2.gz HCNKUSYEZSMOCE-UHFFFAOYSA-N 0 0 391.496 4.663 50 0 GJAARN COC1=CC2=CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@]4(C)CC[C@@H]3[C@]2(C)CC1 ZINC000257358147 209080056 /nfs/dbraw/zinc/08/00/56/209080056.db2.gz RXOKKASEHMRJLZ-DAMRUUDFSA-N 0 0 386.532 4.980 50 0 GJAARN Cc1ccc(N2CCCC2=O)cc1NC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000299779200 209086930 /nfs/dbraw/zinc/08/69/30/209086930.db2.gz SUAKFUXXCDBEMX-OAQYLSRUSA-N 0 0 377.488 4.663 50 0 GJAARN O=C(NCCc1ccccc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000021704917 221539090 /nfs/dbraw/zinc/53/90/90/221539090.db2.gz ZXHKYEOKJIPJAO-UHFFFAOYSA-N 0 0 384.483 4.712 50 0 GJAARN Cc1nn2c(nc(C(C)(C)C)cc2NC[C@@H]2CCCO2)c1-c1ccc(F)cc1 ZINC000021799305 221540978 /nfs/dbraw/zinc/54/09/78/221540978.db2.gz WGSWPDBZGXKXGT-KRWDZBQOSA-N 0 0 382.483 4.732 50 0 GJAARN CCOc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000021935355 221547348 /nfs/dbraw/zinc/54/73/48/221547348.db2.gz GUZIQKDFSDJAQB-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccc(F)c3)n2)cc1 ZINC000022458302 221559902 /nfs/dbraw/zinc/55/99/02/221559902.db2.gz UGBZPRLFKZKVFQ-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN CC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000022651048 221567507 /nfs/dbraw/zinc/56/75/07/221567507.db2.gz YDMXJDIAIQSRNM-LHSJRXKWSA-N 0 0 387.907 4.877 50 0 GJAARN O=C(Nc1ccccc1N1CCCC1=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000022748238 221568078 /nfs/dbraw/zinc/56/80/78/221568078.db2.gz HXLWTMASHLWRGM-UHFFFAOYSA-N 0 0 388.492 4.893 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 ZINC000023472367 221597637 /nfs/dbraw/zinc/59/76/37/221597637.db2.gz FMSNIYPDFSURFU-UHFFFAOYSA-N 0 0 385.423 4.896 50 0 GJAARN CCOCc1c2ccccc2oc1C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000024030533 221607446 /nfs/dbraw/zinc/60/74/46/221607446.db2.gz JKXRDJXSFAJCLZ-UHFFFAOYSA-N 0 0 394.471 4.704 50 0 GJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2[nH]cnc2c1 ZINC000024503805 221614962 /nfs/dbraw/zinc/61/49/62/221614962.db2.gz RBCUEUPSNKLWAS-MRXNPFEDSA-N 0 0 398.466 4.648 50 0 GJAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000025035310 221624176 /nfs/dbraw/zinc/62/41/76/221624176.db2.gz AHXNPLBBWUSUMX-UHFFFAOYSA-N 0 0 395.484 4.754 50 0 GJAARN C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(F)c1)c1ccccn1 ZINC000028292478 221673678 /nfs/dbraw/zinc/67/36/78/221673678.db2.gz IHWLCHPWKBUBSP-HNNXBMFYSA-N 0 0 384.838 4.875 50 0 GJAARN C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1c(F)cccc1F ZINC000028368263 221675140 /nfs/dbraw/zinc/67/51/40/221675140.db2.gz QKQARVHOHVWEOE-CYBMUJFWSA-N 0 0 388.414 4.836 50 0 GJAARN Cc1ccc(NC(=O)c2c(N)n(C(=O)c3cccs3)c3ccccc32)cc1C ZINC000028535470 221679478 /nfs/dbraw/zinc/67/94/78/221679478.db2.gz RLDRCIUZYPADDL-UHFFFAOYSA-N 0 0 389.480 4.843 50 0 GJAARN Cc1cc(C(=O)N[C@@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c(C)o1 ZINC000029294159 221692110 /nfs/dbraw/zinc/69/21/10/221692110.db2.gz PBQVZUZAPCCOAU-LBPRGKRZSA-N 0 0 391.393 4.900 50 0 GJAARN Cc1ccccc1SCC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000032930249 221752231 /nfs/dbraw/zinc/75/22/31/221752231.db2.gz ZXUZAMXQDRDDNJ-UHFFFAOYSA-N 0 0 390.508 4.656 50 0 GJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000032926697 221752310 /nfs/dbraw/zinc/75/23/10/221752310.db2.gz ZVCVLMSTAFGQJM-OKILXGFUSA-N 0 0 389.293 4.755 50 0 GJAARN COc1cccc(C(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c1 ZINC000032949345 221755625 /nfs/dbraw/zinc/75/56/25/221755625.db2.gz MKMIDCSZIWMAIP-UHFFFAOYSA-N 0 0 381.422 4.557 50 0 biogenic GJAARN COc1cc([C@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc(OC)c1OC ZINC000033087909 221770324 /nfs/dbraw/zinc/77/03/24/221770324.db2.gz FAQAWSLWVZMROX-BKTGTZMESA-N 0 0 375.852 4.610 50 0 GJAARN Cc1ccc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c(C)c1 ZINC000033172692 221777888 /nfs/dbraw/zinc/77/78/88/221777888.db2.gz GCOUDFOIQRWCNZ-UHFFFAOYSA-N 0 0 380.448 4.598 50 0 GJAARN O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000033255234 221779121 /nfs/dbraw/zinc/77/91/21/221779121.db2.gz USVJMZQRZOSQNA-UHFFFAOYSA-N 0 0 382.851 4.802 50 0 GJAARN COc1ccc(NC(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)cc1 ZINC000033279089 221783599 /nfs/dbraw/zinc/78/35/99/221783599.db2.gz WHQJMEURVZIYQR-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000033298734 221784614 /nfs/dbraw/zinc/78/46/14/221784614.db2.gz YFUOUXCLTDLLQN-UHFFFAOYSA-N 0 0 398.875 4.504 50 0 GJAARN CC(C)(C)c1ccccc1NC(=O)COC(=O)/C=C\c1ccc2ccccc2n1 ZINC000033504081 221792122 /nfs/dbraw/zinc/79/21/22/221792122.db2.gz XRFUEYUIJVNYPU-PFONDFGASA-N 0 0 388.467 4.727 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2OC)cc1 ZINC000034795954 221805359 /nfs/dbraw/zinc/80/53/59/221805359.db2.gz RJNXAKBCENTOCX-UHFFFAOYSA-N 0 0 379.460 4.545 50 0 GJAARN CCCCNC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898930 221808341 /nfs/dbraw/zinc/80/83/41/221808341.db2.gz SYHANHIMBUFOON-LJQANCHMSA-N 0 0 389.499 4.935 50 0 GJAARN Cc1ccc(-n2nc(C(=O)N[C@H]3CCCc4ccccc43)nc2-c2ccoc2)cc1 ZINC000034911249 221809896 /nfs/dbraw/zinc/80/98/96/221809896.db2.gz WQPIAQHKKQWDKG-NRFANRHFSA-N 0 0 398.466 4.643 50 0 GJAARN Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1ccc(Br)cc1 ZINC000035536604 221827876 /nfs/dbraw/zinc/82/78/76/221827876.db2.gz AWNXFXIOQWLZHE-UHFFFAOYSA-N 0 0 375.197 4.804 50 0 GJAARN OCc1cnc(SCc2ccc(F)cc2)n1Cc1ccccc1C(F)(F)F ZINC000035841274 221834064 /nfs/dbraw/zinc/83/40/64/221834064.db2.gz ZKEHMVUUYYUFPU-UHFFFAOYSA-N 0 0 396.409 4.874 50 0 GJAARN COc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccc(C)c2)c1 ZINC000036248805 221848108 /nfs/dbraw/zinc/84/81/08/221848108.db2.gz OOKOQASOHNVVQX-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)c2ccccc2)cc1 ZINC000036345548 221852889 /nfs/dbraw/zinc/85/28/89/221852889.db2.gz GADORPWXUSXTAK-XMMPIXPASA-N 0 0 383.495 4.809 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)ccc1O ZINC000036354723 221853753 /nfs/dbraw/zinc/85/37/53/221853753.db2.gz NGUZLVXEAUEWGE-LBPRGKRZSA-N 0 0 387.798 4.503 50 0 GJAARN COc1cc(C2(CNC(=O)c3sccc3C)CCCC2)ccc1OC(F)F ZINC000036391851 221857565 /nfs/dbraw/zinc/85/75/65/221857565.db2.gz BGQADPZHLPVHRD-UHFFFAOYSA-N 0 0 395.471 4.908 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)c3cnn(C)c3C(F)(F)F)ccc21 ZINC000036396752 221858134 /nfs/dbraw/zinc/85/81/34/221858134.db2.gz YRXYAKNNIOYXLO-UHFFFAOYSA-N 0 0 386.377 4.819 50 0 GJAARN CCn1cc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000040049277 221899208 /nfs/dbraw/zinc/89/92/08/221899208.db2.gz WFHUGVMHYAPDRQ-IBGZPJMESA-N 0 0 378.472 4.656 50 0 GJAARN Cc1cc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)c(C)s1 ZINC000040074259 221902028 /nfs/dbraw/zinc/90/20/28/221902028.db2.gz GZKNAVHINVBIHQ-JXFKEZNVSA-N 0 0 386.561 4.695 50 0 GJAARN CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccccc1-c1nncn1CC ZINC000040114620 221908017 /nfs/dbraw/zinc/90/80/17/221908017.db2.gz LQODGUCJOZRTEA-BUHFOSPRSA-N 0 0 386.455 4.926 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(-c2ccccc2)cc1F ZINC000040131791 221910148 /nfs/dbraw/zinc/91/01/48/221910148.db2.gz IVAIKCRLOXBCBK-UHFFFAOYSA-N 0 0 388.442 4.981 50 0 GJAARN CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1Cl ZINC000041076948 221936181 /nfs/dbraw/zinc/93/61/81/221936181.db2.gz ZBXLBRIRJWMPPY-UHFFFAOYSA-N 0 0 383.879 4.872 50 0 GJAARN Cc1cc(NC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)no1 ZINC000042740971 221942423 /nfs/dbraw/zinc/94/24/23/221942423.db2.gz WIUAEUMHHBOTDR-UHFFFAOYSA-N 0 0 393.230 4.528 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2CN2c3cccc4cccc(c34)C2=O)c1 ZINC000057406586 222031847 /nfs/dbraw/zinc/03/18/47/222031847.db2.gz KRKYIIDGIGPGNW-FQEVSTJZSA-N 0 0 388.467 4.612 50 0 GJAARN O=C(Nc1cccc(Br)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412606 222032081 /nfs/dbraw/zinc/03/20/81/222032081.db2.gz HVVBARJOKJHOAP-UHFFFAOYSA-N 0 0 376.641 4.745 50 0 GJAARN C[C@H](CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(C(F)(F)F)cc1 ZINC000057388927 222032345 /nfs/dbraw/zinc/03/23/45/222032345.db2.gz PEFIQWYIMCFJGV-SECBINFHSA-N 0 0 392.299 4.545 50 0 GJAARN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000047395515 221977395 /nfs/dbraw/zinc/97/73/95/221977395.db2.gz UAUHTVKSSBFQJV-UHFFFAOYSA-N 0 0 392.286 4.550 50 0 GJAARN O=C(NCC1(c2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000048289510 221984928 /nfs/dbraw/zinc/98/49/28/221984928.db2.gz GYZGABIPQITNIL-UHFFFAOYSA-N 0 0 379.463 4.758 50 0 GJAARN CCOC(=O)c1cc2cc(NC(=O)N3CCc4sccc4C3)ccc2s1 ZINC000048344321 221988775 /nfs/dbraw/zinc/98/87/75/221988775.db2.gz SVCYGBUOWWJAIY-UHFFFAOYSA-N 0 0 386.498 4.730 50 0 GJAARN CCOc1c(Cl)cc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1OC ZINC000049765809 222002443 /nfs/dbraw/zinc/00/24/43/222002443.db2.gz FFNIHFKRVZWZRL-SFHVURJKSA-N 0 0 388.895 4.900 50 0 GJAARN CC(C)c1cccc(OCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000051440536 222006130 /nfs/dbraw/zinc/00/61/30/222006130.db2.gz IKZSZMLPJSGNJW-UHFFFAOYSA-N 0 0 386.835 4.636 50 0 GJAARN Cc1cccc(Cl)c1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364560 222007119 /nfs/dbraw/zinc/00/71/19/222007119.db2.gz AETWBVSXFUCEAA-INIZCTEOSA-N 0 0 378.859 4.807 50 0 GJAARN CCCCN(Cc1cccnc1)C(=O)c1ccc(C)c(NC(=O)C2CCCC2)c1 ZINC000055183217 222019052 /nfs/dbraw/zinc/01/90/52/222019052.db2.gz LHBKETLYUGIRJU-UHFFFAOYSA-N 0 0 393.531 4.961 50 0 GJAARN CSc1ccc(CN(C(=O)c2cccc(-c3noc(C)n3)c2)C2CC2)cc1 ZINC000055327967 222020504 /nfs/dbraw/zinc/02/05/04/222020504.db2.gz WUEJVEXHMMPYJG-UHFFFAOYSA-N 0 0 379.485 4.572 50 0 GJAARN COc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000065029692 222094495 /nfs/dbraw/zinc/09/44/95/222094495.db2.gz HRCPEOJQVUHZGT-UHFFFAOYSA-N 0 0 380.423 4.627 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC000065025465 222095308 /nfs/dbraw/zinc/09/53/08/222095308.db2.gz JWUMVPOVJOLXGL-UHFFFAOYSA-N 0 0 396.853 4.789 50 0 GJAARN COc1cc(OC)cc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)c1 ZINC000065032278 222096622 /nfs/dbraw/zinc/09/66/22/222096622.db2.gz LCMAQLMPJOVUIT-UHFFFAOYSA-N 0 0 379.441 4.853 50 0 GJAARN Cc1ccc(NC(=O)Nc2nccn(-c3ccc(C(C)C)cc3)c2=O)cc1C ZINC000065060753 222097438 /nfs/dbraw/zinc/09/74/38/222097438.db2.gz 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Cc1ccc(C)c(C(=O)N2CCC[C@H](c3ccnc(-c4cccc(F)c4)n3)C2)c1 ZINC000065135700 222104077 /nfs/dbraw/zinc/10/40/77/222104077.db2.gz RKXWSLVAVXKVLD-IBGZPJMESA-N 0 0 389.474 4.919 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148454 222104114 /nfs/dbraw/zinc/10/41/14/222104114.db2.gz DLFPZGDLRXZXGE-KRWDZBQOSA-N 0 0 390.462 4.688 50 0 GJAARN O=C(c1ccc(F)cc1F)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135754 222104138 /nfs/dbraw/zinc/10/41/38/222104138.db2.gz HSFPIJOMRZEZGZ-HNNXBMFYSA-N 0 0 397.400 4.581 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168548 222104471 /nfs/dbraw/zinc/10/44/71/222104471.db2.gz JUVWDQXBZSYHCJ-UHFFFAOYSA-N 0 0 384.266 4.649 50 0 GJAARN CCOc1ccccc1NC(=O)N1CC=C(c2cn(CC)c3ncccc23)CC1 ZINC000065211741 222111137 /nfs/dbraw/zinc/11/11/37/222111137.db2.gz OKJDJEUZZVTELI-UHFFFAOYSA-N 0 0 390.487 4.776 50 0 GJAARN COc1ccccc1C(=O)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219077 222111661 /nfs/dbraw/zinc/11/16/61/222111661.db2.gz RRDIGZSTBZWCCW-UHFFFAOYSA-N 0 0 395.415 4.865 50 0 GJAARN O=C(Nc1cccc(N2CCOC2=O)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC000057991336 222036991 /nfs/dbraw/zinc/03/69/91/222036991.db2.gz MEDQXSLCNDAOKM-UHFFFAOYSA-N 0 0 399.859 4.672 50 0 GJAARN CCCCCN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H](C)CCC ZINC000058107898 222039251 /nfs/dbraw/zinc/03/92/51/222039251.db2.gz RMLFXSXWXQPNJF-CQSZACIVSA-N 0 0 380.583 4.503 50 0 GJAARN O=S(=O)(Cc1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000058067530 222039298 /nfs/dbraw/zinc/03/92/98/222039298.db2.gz VOJDPDWCZGLGRO-UHFFFAOYSA-N 0 0 376.399 4.808 50 0 GJAARN CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2csc(-c3ccccc3)n2)cc1 ZINC000058132840 222040128 /nfs/dbraw/zinc/04/01/28/222040128.db2.gz XDJUYPVARIHJIY-QGZVFWFLSA-N 0 0 393.556 4.811 50 0 GJAARN CCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccccc2Cl)c1C ZINC000058196546 222043986 /nfs/dbraw/zinc/04/39/86/222043986.db2.gz MCQQQEKFSHVHES-CYBMUJFWSA-N 0 0 375.856 4.656 50 0 GJAARN 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ZINC000064578438 222075096 /nfs/dbraw/zinc/07/50/96/222075096.db2.gz LLRUXTVDFRSTNV-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN Cc1cccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4cccc(C)c4)csc32)c1 ZINC000064656977 222076097 /nfs/dbraw/zinc/07/60/97/222076097.db2.gz NJVUHOUNLHNPNF-QGZVFWFLSA-N 0 0 397.521 4.672 50 0 GJAARN CC[C@@H]1Cn2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc3cccc(c32)O1 ZINC000064657876 222076195 /nfs/dbraw/zinc/07/61/95/222076195.db2.gz BDMOPXCYBHDECO-OAQYLSRUSA-N 0 0 388.511 4.907 50 0 GJAARN Cc1csc2nc(CSCc3csc(C4CCCC4)n3)cc(=O)n12 ZINC000064612133 222076704 /nfs/dbraw/zinc/07/67/04/222076704.db2.gz RDOKFDAGRBYLEB-UHFFFAOYSA-N 0 0 377.560 4.612 50 0 GJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccccc2C)c1 ZINC000064656971 222076757 /nfs/dbraw/zinc/07/67/57/222076757.db2.gz RJLKAHNCFJTCEG-KRWDZBQOSA-N 0 0 397.521 4.672 50 0 GJAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(C)c(C)c3)n2)c1 ZINC000064747450 222080456 /nfs/dbraw/zinc/08/04/56/222080456.db2.gz JKULNAVWCOBRQO-LJQANCHMSA-N 0 0 392.459 4.731 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)n1 ZINC000064801257 222082405 /nfs/dbraw/zinc/08/24/05/222082405.db2.gz ADUFQZLYLWXKBX-UHFFFAOYSA-N 0 0 376.464 4.913 50 0 GJAARN O=C(/C=C/c1cccs1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000064818341 222082953 /nfs/dbraw/zinc/08/29/53/222082953.db2.gz KUBWUBFHYPCLIK-BQYQJAHWSA-N 0 0 399.903 4.871 50 0 GJAARN FC(F)(F)c1nc2cc3c(cc2n1CCOc1ccccc1Cl)OCCO3 ZINC000064814451 222083171 /nfs/dbraw/zinc/08/31/71/222083171.db2.gz LLEJYMUQDXXHAV-UHFFFAOYSA-N 0 0 398.768 4.559 50 0 GJAARN Cc1ccc(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1F ZINC000064818342 222083214 /nfs/dbraw/zinc/08/32/14/222083214.db2.gz DJRZYUPWWNGXSY-UHFFFAOYSA-N 0 0 399.853 4.857 50 0 GJAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000064837541 222083255 /nfs/dbraw/zinc/08/32/55/222083255.db2.gz SFHZWTYSZXJUSG-UHFFFAOYSA-N 0 0 384.501 4.993 50 0 GJAARN COc1cccc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)c1 ZINC000064820065 222083310 /nfs/dbraw/zinc/08/33/10/222083310.db2.gz XLTSVIUKTSXTTE-UHFFFAOYSA-N 0 0 393.262 4.735 50 0 GJAARN Cc1ccc(-c2noc(C3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000064818234 222083865 /nfs/dbraw/zinc/08/38/65/222083865.db2.gz AOMONEQLAGHJHY-UHFFFAOYSA-N 0 0 395.890 4.647 50 0 GJAARN Cc1ccccc1CNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955702 222089175 /nfs/dbraw/zinc/08/91/75/222089175.db2.gz POIYJDDYFMOHEO-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN Cc1ccccc1-n1nc(-c2nc(-c3cccc(F)c3)no2)c2ccccc2c1=O ZINC000064950183 222089499 /nfs/dbraw/zinc/08/94/99/222089499.db2.gz PFNWKDZHYFJUPH-UHFFFAOYSA-N 0 0 398.397 4.550 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000064984162 222092568 /nfs/dbraw/zinc/09/25/68/222092568.db2.gz WQKYHDUNRQPIJD-QHCPKHFHSA-N 0 0 399.556 4.880 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c2cccnc21 ZINC000065240978 222115438 /nfs/dbraw/zinc/11/54/38/222115438.db2.gz RMAQSNYZXQZRLR-UHFFFAOYSA-N 0 0 380.448 4.500 50 0 GJAARN C[C@@H](NC(=O)c1ccn2c(c1)nnc2-c1ccc(Cl)cc1)c1ccccc1 ZINC000065296142 222121629 /nfs/dbraw/zinc/12/16/29/222121629.db2.gz IZMMUSHXMANOAW-CQSZACIVSA-N 0 0 376.847 4.541 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000065320533 222123762 /nfs/dbraw/zinc/12/37/62/222123762.db2.gz PPZITJPXWIFCHU-SFHVURJKSA-N 0 0 381.863 4.984 50 0 GJAARN CC(=O)c1ccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000065330892 222125065 /nfs/dbraw/zinc/12/50/65/222125065.db2.gz RRLYETZAUNFFFZ-UHFFFAOYSA-N 0 0 376.437 4.817 50 0 GJAARN Cc1cccc(C)c1OC1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1 ZINC000065618555 222134654 /nfs/dbraw/zinc/13/46/54/222134654.db2.gz LEBQFKOWIRQCDC-UHFFFAOYSA-N 0 0 379.500 4.571 50 0 GJAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)cc1 ZINC000067259349 222142552 /nfs/dbraw/zinc/14/25/52/222142552.db2.gz YNLMZFYAOPYEKG-UHFFFAOYSA-N 0 0 385.492 4.775 50 0 GJAARN COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(NC(C)=O)cc3)oc21 ZINC000067339942 222144688 /nfs/dbraw/zinc/14/46/88/222144688.db2.gz WWNCLTZURTTWLU-BQYQJAHWSA-N 0 0 384.819 4.705 50 0 GJAARN Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1C ZINC000067299161 222144817 /nfs/dbraw/zinc/14/48/17/222144817.db2.gz NTGZVVALKRROBB-BZZOAKBMSA-N 0 0 388.423 4.511 50 0 GJAARN Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(F)c2)n1 ZINC000067296768 222145257 /nfs/dbraw/zinc/14/52/57/222145257.db2.gz HHOGTKXZFMDLJB-ROMGYVFFSA-N 0 0 391.377 4.899 50 0 GJAARN COc1cccc(C)c1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067459628 222147379 /nfs/dbraw/zinc/14/73/79/222147379.db2.gz APEUHJASDYCHHI-KRWDZBQOSA-N 0 0 380.271 4.524 50 0 GJAARN Cc1nc2c(s1)CCC[C@H]2n1cnc(-c2ccccc2)c1-c1nc[nH]c1C ZINC000067605410 222149009 /nfs/dbraw/zinc/14/90/09/222149009.db2.gz ZNRNQVVQXQFNOM-MRXNPFEDSA-N 0 0 375.501 4.939 50 0 GJAARN COc1cc(C)ccc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067773933 222159160 /nfs/dbraw/zinc/15/91/60/222159160.db2.gz ZFOIAAQVHAWHTO-SFHVURJKSA-N 0 0 380.271 4.524 50 0 GJAARN C[C@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCc1c[nH]cn1 ZINC000067772639 222159850 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CCSc1ccccc1C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000049363051 570263227 /nfs/dbraw/zinc/26/32/27/570263227.db2.gz KSSSNQKBLWSRTE-UHFFFAOYSA-N 0 0 399.541 4.930 50 0 GJAARN CCOc1ccccc1[C@@H]1N2CCC[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000085988132 570264607 /nfs/dbraw/zinc/26/46/07/570264607.db2.gz NPYLSRWTMMAGSI-PKOBYXMFSA-N 0 0 391.298 4.902 50 0 GJAARN C[C@H](c1ccccc1)N1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 ZINC000020502519 570264735 /nfs/dbraw/zinc/26/47/35/570264735.db2.gz COKXQOHOOOQDEU-CYBMUJFWSA-N 0 0 381.859 4.848 50 0 GJAARN COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000085988215 570264969 /nfs/dbraw/zinc/26/49/69/570264969.db2.gz FZOCEQZXLARIII-FUHWJXTLSA-N 0 0 377.271 4.512 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)c1ccccc1 ZINC000020509694 570265100 /nfs/dbraw/zinc/26/51/00/570265100.db2.gz OEODLKJIVNYVCD-LJQANCHMSA-N 0 0 389.842 4.909 50 0 GJAARN Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC3)c2c1 ZINC000049421522 570267171 /nfs/dbraw/zinc/26/71/71/570267171.db2.gz FOGIEIPOPCIEQA-UHFFFAOYSA-N 0 0 386.904 4.630 50 0 GJAARN c1ccc(CN2CCc3c(sc4ncn5nc(-c6ccccc6)nc5c34)C2)cc1 ZINC000020548821 570267686 /nfs/dbraw/zinc/26/76/86/570267686.db2.gz VCJGOJBMRXKXAU-UHFFFAOYSA-N 0 0 397.507 4.564 50 0 GJAARN O=C(NC1CCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022629497 570267830 /nfs/dbraw/zinc/26/78/30/570267830.db2.gz UFMCCXBCCVGNNZ-QFIPXVFZSA-N 0 0 397.950 4.699 50 0 GJAARN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1Br ZINC000012861362 570268449 /nfs/dbraw/zinc/26/84/49/570268449.db2.gz SGZXUSFTKDJVAU-LBPRGKRZSA-N 0 0 394.290 4.577 50 0 GJAARN Cc1oc(-c2ccccc2Cl)nc1CN1CCC(OCc2ccccn2)CC1 ZINC000020598809 570269566 /nfs/dbraw/zinc/26/95/66/570269566.db2.gz XAZQRZNYNDKWTR-UHFFFAOYSA-N 0 0 397.906 4.880 50 0 GJAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(F)cc1)cc2C(F)F ZINC000020603175 570270606 /nfs/dbraw/zinc/27/06/06/570270606.db2.gz AYZATBLDZCTOJE-UHFFFAOYSA-N 0 0 389.377 4.616 50 0 GJAARN C[C@H]1CCC2=C(C3(CC2)SCCS3)[C@@]1(C)[C@@H](O)CCC1OCCCO1 ZINC000071786196 570272083 /nfs/dbraw/zinc/27/20/83/570272083.db2.gz OMMSCPDCVWIERB-URLQWDBASA-N 0 0 384.607 4.593 50 0 GJAARN CO[C@H]1CC[C@@H]2[C@@]1(C)C(=O)C[C@H]1CC[C@H](C)[C@@H](CCC3(C)OCCO3)[C@]21C ZINC000071786281 570272312 /nfs/dbraw/zinc/27/23/12/570272312.db2.gz ROQOGZLZWMDINE-RMIWOTPJSA-N 0 0 378.553 4.602 50 0 GJAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc(CC)s1)cc2C(F)(F)F ZINC000020615621 570272419 /nfs/dbraw/zinc/27/24/19/570272419.db2.gz TXCBZDLZASOWGD-UHFFFAOYSA-N 0 0 397.422 4.613 50 0 GJAARN CCC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002079310 570273749 /nfs/dbraw/zinc/27/37/49/570273749.db2.gz MHPQECPIRIZYMG-UHFFFAOYSA-N 0 0 383.307 4.904 50 0 GJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000012873424 570274438 /nfs/dbraw/zinc/27/44/38/570274438.db2.gz FDMAEIAVODSGDY-ZDUSSCGKSA-N 0 0 381.457 4.697 50 0 GJAARN COc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000002137696 570275404 /nfs/dbraw/zinc/27/54/04/570275404.db2.gz PFQVEGZITIEIRH-XMMPIXPASA-N 0 0 385.467 4.932 50 0 GJAARN Cc1cc(-c2nn(C)c(=O)c3ccccc32)cc(C)c1OC(=O)Nc1ccccc1 ZINC000002152878 570276409 /nfs/dbraw/zinc/27/64/09/570276409.db2.gz FVGSFHACYFHYFV-UHFFFAOYSA-N 0 0 399.450 4.828 50 0 GJAARN Cc1cccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c1 ZINC000002180090 570277200 /nfs/dbraw/zinc/27/72/00/570277200.db2.gz YPFWLCDKOQQBSL-QJOMJCCJSA-N 0 0 399.446 4.797 50 0 GJAARN Cc1ccccc1Cc1nnc2sc(COc3ccc4ccccc4c3)nn12 ZINC000002182921 570277505 /nfs/dbraw/zinc/27/75/05/570277505.db2.gz IZLRWYJVWLDYDG-UHFFFAOYSA-N 0 0 386.480 4.817 50 0 GJAARN O=C(CCc1c[nH]c2ccccc12)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020762885 570279659 /nfs/dbraw/zinc/27/96/59/570279659.db2.gz NZHYBLIXVSSGPI-UHFFFAOYSA-N 0 0 377.875 4.820 50 0 biogenic GJAARN COc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)c1 ZINC000002264953 570280788 /nfs/dbraw/zinc/28/07/88/570280788.db2.gz CWQCFNHVYUHARW-UHFFFAOYSA-N 0 0 377.256 4.835 50 0 GJAARN COc1cccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc21 ZINC000002288692 570281239 /nfs/dbraw/zinc/28/12/39/570281239.db2.gz MVDSQBLIAJPKKD-UHFFFAOYSA-N 0 0 387.391 4.846 50 0 GJAARN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000012882177 570283212 /nfs/dbraw/zinc/28/32/12/570283212.db2.gz JSHQPQIENQIACS-IRXDYDNUSA-N 0 0 380.513 4.778 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCSCc1ccco1 ZINC000002380520 570284943 /nfs/dbraw/zinc/28/49/43/570284943.db2.gz SBBGXCLWBYVDPQ-UHFFFAOYSA-N 0 0 394.855 4.699 50 0 GJAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 ZINC000002376912 570285060 /nfs/dbraw/zinc/28/50/60/570285060.db2.gz GJXFCZMVOJPFSS-CQSZACIVSA-N 0 0 388.471 4.667 50 0 GJAARN CCn1cc([C@@H](C)NC(=O)c2ccc(COc3ccccc3Cl)cc2)c(C)n1 ZINC000000654081 570285263 /nfs/dbraw/zinc/28/52/63/570285263.db2.gz HFVGJCLSQSNCSV-OAHLLOKOSA-N 0 0 397.906 4.935 50 0 GJAARN CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(C)n1 ZINC000020929255 570285428 /nfs/dbraw/zinc/28/54/28/570285428.db2.gz SWOWNCFMEWUDID-UHFFFAOYSA-N 0 0 389.524 4.958 50 0 GJAARN CCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000020938869 570285764 /nfs/dbraw/zinc/28/57/64/570285764.db2.gz AJNUBURHXGNYEB-NRFANRHFSA-N 0 0 397.906 4.897 50 0 GJAARN CC[C@H](C)OC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 ZINC000002410188 570286171 /nfs/dbraw/zinc/28/61/71/570286171.db2.gz UQVNFYNETBHRLX-HNNXBMFYSA-N 0 0 388.471 4.728 50 0 GJAARN COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccnc2)cc1 ZINC000002453539 570287448 /nfs/dbraw/zinc/28/74/48/570287448.db2.gz GBDFKZDOHZOAAU-UHFFFAOYSA-N 0 0 388.496 4.939 50 0 GJAARN ClC1(Cl)C[C@H]1CSc1n[nH]c(-c2ccccc2Br)n1 ZINC000021108325 570288179 /nfs/dbraw/zinc/28/81/79/570288179.db2.gz MTESMMNUGTWUDJ-ZETCQYMHSA-N 0 0 379.110 4.520 50 0 GJAARN Cc1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)cc1 ZINC000002501673 570288896 /nfs/dbraw/zinc/28/88/96/570288896.db2.gz HCJGZHRCDDBXLG-UHFFFAOYSA-N 0 0 378.453 4.912 50 0 aggregator GJAARN CCc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021297449 570290150 /nfs/dbraw/zinc/29/01/50/570290150.db2.gz JRUIBQKPWKUATJ-UHFFFAOYSA-N 0 0 377.410 4.518 50 0 GJAARN COc1ccc(-c2noc(CSCc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000006850453 570290754 /nfs/dbraw/zinc/29/07/54/570290754.db2.gz BVCGFSSFQIWNBZ-UHFFFAOYSA-N 0 0 376.865 4.841 50 0 GJAARN Brc1ccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)cc1 ZINC000021364698 570290938 /nfs/dbraw/zinc/29/09/38/570290938.db2.gz DHWFOFDPZJWYCN-UHFFFAOYSA-N 0 0 387.262 4.668 50 0 GJAARN O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc2ccccc2oc1=O ZINC000002600977 570291948 /nfs/dbraw/zinc/29/19/48/570291948.db2.gz VHNXZEXNNAQYOU-UHFFFAOYSA-N 0 0 388.404 4.915 50 0 GJAARN COc1ccc(Br)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000012914456 570292053 /nfs/dbraw/zinc/29/20/53/570292053.db2.gz MWYHCNYTGKBJFN-QGZVFWFLSA-N 0 0 394.696 4.992 50 0 GJAARN Cc1cc(C(=O)COc2ccccc2Br)c(C)n1-c1nccs1 ZINC000012918944 570293364 /nfs/dbraw/zinc/29/33/64/570293364.db2.gz AVVQFJQRMOASJL-UHFFFAOYSA-N 0 0 391.290 4.575 50 0 GJAARN CCOc1ccc2oc(C(=O)N3CCCc4c(C(=O)OC)cccc43)c(C)c2c1 ZINC000012919274 570293666 /nfs/dbraw/zinc/29/36/66/570293666.db2.gz PQZZFJDOLHGDMN-UHFFFAOYSA-N 0 0 393.439 4.520 50 0 GJAARN CCCc1cc([C@H]2CCCN2Cc2ccc(OC)c(Br)c2)no1 ZINC000021719867 570294819 /nfs/dbraw/zinc/29/48/19/570294819.db2.gz GHOSOAUJGBHIRO-QGZVFWFLSA-N 0 0 379.298 4.735 50 0 GJAARN O=C(COC(=O)Cc1ccccc1F)Nc1ccccc1Sc1ccccc1 ZINC000004827151 570295324 /nfs/dbraw/zinc/29/53/24/570295324.db2.gz OCUWEFAXGSUSIV-UHFFFAOYSA-N 0 0 395.455 4.701 50 0 GJAARN CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 ZINC000002738836 570297386 /nfs/dbraw/zinc/29/73/86/570297386.db2.gz MHUDUEGGINDYGC-ZDUSSCGKSA-N 0 0 387.501 4.701 50 0 GJAARN CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 ZINC000002741853 570297608 /nfs/dbraw/zinc/29/76/08/570297608.db2.gz NEZIZPMWPNPNBF-UHFFFAOYSA-N 0 0 388.467 4.827 50 0 GJAARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2cccs2)cc1 ZINC000005582389 570297972 /nfs/dbraw/zinc/29/79/72/570297972.db2.gz PMATUDIDGPNDMI-YCRREMRBSA-N 0 0 377.421 4.625 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000021929665 570299615 /nfs/dbraw/zinc/29/96/15/570299615.db2.gz XOKUJAVROSNOSC-UHFFFAOYSA-N 0 0 390.552 4.615 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000006940777 570301107 /nfs/dbraw/zinc/30/11/07/570301107.db2.gz FQKFCWJXVKVRHD-UHFFFAOYSA-N 0 0 389.455 4.666 50 0 GJAARN COc1ccc(NC(=O)c2csc(-c3ccc(OC(C)C)c(OC)c3)n2)cc1 ZINC000034712340 570303448 /nfs/dbraw/zinc/30/34/48/570303448.db2.gz MMHLAWOXENQAED-UHFFFAOYSA-N 0 0 398.484 4.867 50 0 GJAARN O=C(NC1CC1)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2)n1 ZINC000034712100 570303451 /nfs/dbraw/zinc/30/34/51/570303451.db2.gz XLUYKOHWSSNYEU-UHFFFAOYSA-N 0 0 386.423 4.560 50 0 GJAARN CC(C)NC(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034711938 570303506 /nfs/dbraw/zinc/30/35/06/570303506.db2.gz RHVBCMHZNLEJHH-UHFFFAOYSA-N 0 0 388.439 4.806 50 0 GJAARN O=P1([C@@H](Nc2ccc(O)cc2)c2ccc(Br)cc2)OCCCO1 ZINC000002810171 570304051 /nfs/dbraw/zinc/30/40/51/570304051.db2.gz NNCJCLOFCUEUJV-MRXNPFEDSA-N 0 0 398.193 4.895 50 0 GJAARN COc1cc(NC(=O)c2c3c(nc4ccccc42)CCC3)c(OC)cc1Cl ZINC000015970693 570304052 /nfs/dbraw/zinc/30/40/52/570304052.db2.gz BMKCZQRVVGSKRZ-UHFFFAOYSA-N 0 0 382.847 4.646 50 0 GJAARN O=P1([C@@H](Nc2ccc(Br)cc2)c2ccc(O)cc2)OCCCO1 ZINC000002810178 570304138 /nfs/dbraw/zinc/30/41/38/570304138.db2.gz FFMJOCZXAWBDCB-MRXNPFEDSA-N 0 0 398.193 4.895 50 0 GJAARN COc1ccc(N(C=O)[C@H](C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000000722040 570304615 /nfs/dbraw/zinc/30/46/15/570304615.db2.gz YMQYRBMSDBZQBX-QHCPKHFHSA-N 0 0 388.467 4.655 50 0 GJAARN O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccccc1Cl ZINC000021681396 570305530 /nfs/dbraw/zinc/30/55/30/570305530.db2.gz GNIWFKKEKJOSMG-UHFFFAOYSA-N 0 0 383.904 4.607 50 0 GJAARN O=C(COc1ccc(Br)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000002835276 570306041 /nfs/dbraw/zinc/30/60/41/570306041.db2.gz CLAVHULSEAYHON-UHFFFAOYSA-N 0 0 397.681 4.730 50 0 GJAARN CC(C)c1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)c(Br)c1 ZINC000002838267 570306682 /nfs/dbraw/zinc/30/66/82/570306682.db2.gz YJKYCKRMMINMGX-UHFFFAOYSA-N 0 0 391.309 4.656 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1CCCCC2 ZINC000002841884 570307019 /nfs/dbraw/zinc/30/70/19/570307019.db2.gz IVEMBEUESURQIL-AWEZNQCLSA-N 0 0 387.501 4.600 50 0 GJAARN COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000002851776 570308670 /nfs/dbraw/zinc/30/86/70/570308670.db2.gz KLRKKMHJRRXVBZ-UHFFFAOYSA-N 0 0 390.408 4.551 50 0 GJAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(N4CCCC4)cc3)c12 ZINC000002853927 570309466 /nfs/dbraw/zinc/30/94/66/570309466.db2.gz OICPAXLHXDECLG-UHFFFAOYSA-N 0 0 391.467 4.526 50 0 GJAARN COc1cccc(C[C@H](C)C(=O)Nc2ccc3[nH]c(-c4cscn4)nc3c2)c1 ZINC000209810634 570310328 /nfs/dbraw/zinc/31/03/28/570310328.db2.gz BRHVBJUDTWQELF-ZDUSSCGKSA-N 0 0 392.484 4.512 50 0 in-vitro GJAARN Cc1cccc(NC(=S)NC(=O)c2ccc(C)c(Br)c2)c1C ZINC000002860672 570311324 /nfs/dbraw/zinc/31/13/24/570311324.db2.gz GMFNPTRUNQYJDT-UHFFFAOYSA-N 0 0 377.307 4.501 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000002865871 570312558 /nfs/dbraw/zinc/31/25/58/570312558.db2.gz HBSYFPYEPLNXRI-UHFFFAOYSA-N 0 0 388.895 4.608 50 0 GJAARN Cc1sc2[nH]c(CN(Cc3ccccc3)Cc3ccccc3)nc(=O)c2c1C ZINC000033412956 570312642 /nfs/dbraw/zinc/31/26/42/570312642.db2.gz SBIGRGDASKMDIX-UHFFFAOYSA-N 0 0 389.524 4.804 50 0 GJAARN C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(F)cc1F ZINC000024843204 570313454 /nfs/dbraw/zinc/31/34/54/570313454.db2.gz JFGFCCBJFLVXHM-SECBINFHSA-N 0 0 379.204 4.700 50 0 GJAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)Nc1cccc2ncccc21 ZINC000012321460 570313638 /nfs/dbraw/zinc/31/36/38/570313638.db2.gz RGLLVEMEHNLHMT-IBGZPJMESA-N 0 0 377.469 4.510 50 0 GJAARN Cc1ccc(C)n1CCCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000575443193 570314357 /nfs/dbraw/zinc/31/43/57/570314357.db2.gz KSVSCFPXNUJOBG-JOCHJYFZSA-N 0 0 392.547 4.916 50 0 GJAARN O=C(NCCOc1ccccc1)c1ccccc1SCc1ccc(F)cc1 ZINC000002877208 570314927 /nfs/dbraw/zinc/31/49/27/570314927.db2.gz LEWCRHRTORVMRZ-UHFFFAOYSA-N 0 0 381.472 4.927 50 0 GJAARN COc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OCc1ccccc1 ZINC000575444389 570315189 /nfs/dbraw/zinc/31/51/89/570315189.db2.gz BHVSGZUVTSQYBQ-UHFFFAOYSA-N 0 0 383.831 4.886 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1c2cccc3cccc(c23)C1=O ZINC000002884956 570316404 /nfs/dbraw/zinc/31/64/04/570316404.db2.gz FQDKQEKQTIIXKL-LBPRGKRZSA-N 0 0 395.256 4.590 50 0 GJAARN O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1cccc(C(F)(F)F)c1 ZINC000002904919 570317767 /nfs/dbraw/zinc/31/77/67/570317767.db2.gz ZNOFTPOVKKDRPE-OVCLIPMQSA-N 0 0 396.365 4.950 50 0 GJAARN CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000002906485 570317867 /nfs/dbraw/zinc/31/78/67/570317867.db2.gz VNHVAMUJNSCTRL-HNNXBMFYSA-N 0 0 386.879 4.511 50 0 GJAARN Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)c1 ZINC000002924747 570318505 /nfs/dbraw/zinc/31/85/05/570318505.db2.gz FHKUZUPJARIUBB-RCCKNPSSSA-N 0 0 383.403 4.559 50 0 GJAARN O=C(NCc1ccco1)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023331673 570319355 /nfs/dbraw/zinc/31/93/55/570319355.db2.gz LGWQPTWPEFNBOY-UHFFFAOYSA-N 0 0 377.831 4.920 50 0 GJAARN C[C@H]1CCN(C(=O)CSc2nncc3ccccc32)c2ccccc2S1 ZINC000044156978 570319796 /nfs/dbraw/zinc/31/97/96/570319796.db2.gz RGGIPGHVDWZNOS-AWEZNQCLSA-N 0 0 381.526 4.639 50 0 GJAARN CCOC(=O)[C@@H](CC)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002959402 570320126 /nfs/dbraw/zinc/32/01/26/570320126.db2.gz FXAQSRVPSOCYOW-HXUWFJFHSA-N 0 0 394.467 4.721 50 0 biogenic GJAARN CC(=O)O[C@H](C(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1)c1ccccc1 ZINC000023333392 570321037 /nfs/dbraw/zinc/32/10/37/570321037.db2.gz MVYOEUZSBUQBBA-RPBOFIJWSA-N 0 0 399.490 4.774 50 0 GJAARN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)c1 ZINC000023335949 570321145 /nfs/dbraw/zinc/32/11/45/570321145.db2.gz SOLSRUUNKJYGQW-UHFFFAOYSA-N 0 0 397.478 4.725 50 0 GJAARN COc1ccccc1NC(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000002977670 570321519 /nfs/dbraw/zinc/32/15/19/570321519.db2.gz IQIQSQVWUULURV-UHFFFAOYSA-N 0 0 390.465 4.622 50 0 GJAARN Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000002987805 570323366 /nfs/dbraw/zinc/32/33/66/570323366.db2.gz AGZAKJCWYYOEPQ-UHFFFAOYSA-N 0 0 384.328 4.730 50 0 GJAARN COc1cc(C=O)ccc1OCCCCOc1ccccc1Br ZINC000002985923 570323388 /nfs/dbraw/zinc/32/33/88/570323388.db2.gz RISXBUMFYGBSJC-UHFFFAOYSA-N 0 0 379.250 4.508 50 0 GJAARN COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000002992947 570324230 /nfs/dbraw/zinc/32/42/30/570324230.db2.gz PSCVWNPNUDXKSY-QPJJXVBHSA-N 0 0 382.243 4.671 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 ZINC000002994895 570324580 /nfs/dbraw/zinc/32/45/80/570324580.db2.gz SAOLGSHCAMOQOU-UHFFFAOYSA-N 0 0 396.468 4.517 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)c1 ZINC000002995799 570324650 /nfs/dbraw/zinc/32/46/50/570324650.db2.gz QOFQBWGXAHSAFN-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN CCCCc1ccc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 ZINC000002998228 570324926 /nfs/dbraw/zinc/32/49/26/570324926.db2.gz MMWIOJIIBXLLNN-MRXNPFEDSA-N 0 0 393.512 4.631 50 0 GJAARN O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000002999979 570325505 /nfs/dbraw/zinc/32/55/05/570325505.db2.gz KAEMTPMTGFUPAZ-UHFFFAOYSA-N 0 0 382.062 4.524 50 0 GJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)/C=C\c3cccs3)C2)n1 ZINC000220792954 570326454 /nfs/dbraw/zinc/32/64/54/570326454.db2.gz UPAQEIBZAHFVSS-MQNTZWLQSA-N 0 0 393.512 4.601 50 0 GJAARN O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000003069899 570327548 /nfs/dbraw/zinc/32/75/48/570327548.db2.gz RTDGAUCHLGVYQJ-UHFFFAOYSA-N 0 0 384.568 4.817 50 0 GJAARN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000003072089 570327697 /nfs/dbraw/zinc/32/76/97/570327697.db2.gz MATPIZLQVBYFSL-NSHDSACASA-N 0 0 382.243 4.576 50 0 GJAARN COc1ccc(NC(=O)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000000790750 570332033 /nfs/dbraw/zinc/33/20/33/570332033.db2.gz IBLANHMXPNWFAR-UHFFFAOYSA-N 0 0 380.469 4.878 50 0 GJAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1c(F)cccc1Cl ZINC000575610445 570334283 /nfs/dbraw/zinc/33/42/83/570334283.db2.gz MYQBDVBBCPIITH-QGZVFWFLSA-N 0 0 375.852 4.671 50 0 GJAARN O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1c1cccc(Cl)c1Cl ZINC000003257486 570334811 /nfs/dbraw/zinc/33/48/11/570334811.db2.gz DVPWXWZTTGQGTF-WQLSENKSSA-N 0 0 383.687 4.909 50 0 GJAARN Cc1nn(CCNC(=O)CCSc2ccccc2)c(C)c1-c1cccs1 ZINC000575612352 570336437 /nfs/dbraw/zinc/33/64/37/570336437.db2.gz BTOSTCIZLRSISJ-UHFFFAOYSA-N 0 0 385.558 4.527 50 0 GJAARN CC[C@@H](C(=O)Nc1c(C)[nH]nc1CCc1ccc(OC)cc1)c1ccccc1 ZINC000034795168 570337371 /nfs/dbraw/zinc/33/73/71/570337371.db2.gz MVQMDCQZWWFEMB-HXUWFJFHSA-N 0 0 377.488 4.644 50 0 GJAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccccc1F ZINC000034795236 570337392 /nfs/dbraw/zinc/33/73/92/570337392.db2.gz MXJDXCHIJIFKPS-UHFFFAOYSA-N 0 0 381.451 4.547 50 0 GJAARN C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666214 570341804 /nfs/dbraw/zinc/34/18/04/570341804.db2.gz YSNTZTBWXHMIIA-UONOGXRCSA-N 0 0 380.473 4.880 50 0 GJAARN COc1ccc(Oc2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cn2)cc1 ZINC000034898356 570343048 /nfs/dbraw/zinc/34/30/48/570343048.db2.gz RUWIONBLGSHKLF-UHFFFAOYSA-N 0 0 395.415 4.544 50 0 GJAARN O=C(CCNc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000226762486 570343329 /nfs/dbraw/zinc/34/33/29/570343329.db2.gz JHOXPFOAFWJZIE-UHFFFAOYSA-N 0 0 383.083 4.897 50 0 GJAARN O=C(COc1ccc(Br)cc1Cl)Nc1cccc2ncccc21 ZINC000023123989 570344953 /nfs/dbraw/zinc/34/49/53/570344953.db2.gz YKHKFHFTRIUORF-UHFFFAOYSA-N 0 0 391.652 4.668 50 0 GJAARN CC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1-c1ccccc1 ZINC000006235241 570345224 /nfs/dbraw/zinc/34/52/24/570345224.db2.gz BOCPIDOLUANANQ-UHFFFAOYSA-N 0 0 380.469 4.647 50 0 GJAARN COc1ccc(CCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000006235239 570345285 /nfs/dbraw/zinc/34/52/85/570345285.db2.gz YSPFJHMHQROMHD-UHFFFAOYSA-N 0 0 380.469 4.593 50 0 GJAARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)CSc3ccccc3)n2c1 ZINC000034913122 570346754 /nfs/dbraw/zinc/34/67/54/570346754.db2.gz RVJABOUCMWQULT-UHFFFAOYSA-N 0 0 387.508 4.964 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 ZINC000035377142 570347102 /nfs/dbraw/zinc/34/71/02/570347102.db2.gz KDRVGQIOVOAPAL-UHFFFAOYSA-N 0 0 392.842 4.518 50 0 GJAARN NC(=O)c1oc2ccccc2c1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000004852009 570347549 /nfs/dbraw/zinc/34/75/49/570347549.db2.gz KIWPKUXGNGSYKU-UHFFFAOYSA-N 0 0 382.847 4.636 50 0 GJAARN O=c1[nH]c(CN2CC=C(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000033438276 570349515 /nfs/dbraw/zinc/34/95/15/570349515.db2.gz FGGMEMKSQNFZIB-UHFFFAOYSA-N 0 0 385.389 4.644 50 0 aggregator GJAARN O=C(c1cncc(Br)c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000023198154 570349574 /nfs/dbraw/zinc/34/95/74/570349574.db2.gz BIGQDOHUKWRPQT-UHFFFAOYSA-N 0 0 395.300 4.729 50 0 GJAARN Cc1ccc2cc(/C=C3/N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc2c1 ZINC000033442698 570350204 /nfs/dbraw/zinc/35/02/04/570350204.db2.gz ULKFHUCKRINUEZ-CJLVFECKSA-N 0 0 397.478 4.878 50 0 GJAARN S=C(Nc1cccc(Br)c1)N1CCCC[C@@H]1c1cccnc1 ZINC000006257462 570350485 /nfs/dbraw/zinc/35/04/85/570350485.db2.gz XLYCJENUSFSMRJ-MRXNPFEDSA-N 0 0 376.323 4.768 50 0 biogenic GJAARN NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000004872272 570352364 /nfs/dbraw/zinc/35/23/64/570352364.db2.gz XOBBRIFCERVGBZ-NBVRZTHBSA-N 0 0 376.843 4.618 50 0 GJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000035319221 570355174 /nfs/dbraw/zinc/35/51/74/570355174.db2.gz DSFBMBCHCAFCRI-KRWDZBQOSA-N 0 0 398.850 4.768 50 0 GJAARN CCc1ccc(Nc2cnn(-c3nc4ccccc4s3)c(=O)c2Cl)cc1 ZINC000004885772 570355192 /nfs/dbraw/zinc/35/51/92/570355192.db2.gz RICQOUPGKFCKEX-UHFFFAOYSA-N 0 0 382.876 4.802 50 0 GJAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000004039591 570355243 /nfs/dbraw/zinc/35/52/43/570355243.db2.gz SNFZHSXLZLFLAU-UHFFFAOYSA-N 0 0 382.243 4.562 50 0 GJAARN COc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000004106600 570357380 /nfs/dbraw/zinc/35/73/80/570357380.db2.gz ALXMLJCQGOIBRU-XSFVSMFZSA-N 0 0 390.464 4.722 50 0 GJAARN Cc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000035430119 570357945 /nfs/dbraw/zinc/35/79/45/570357945.db2.gz MSFVMXBSUFOBGC-UHFFFAOYSA-N 0 0 386.430 4.751 50 0 GJAARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1Cl ZINC000024931518 570359287 /nfs/dbraw/zinc/35/92/87/570359287.db2.gz BDNJQLVLRITCGA-IBGZPJMESA-N 0 0 383.854 4.531 50 0 GJAARN O=C1c2ccccc2[C@H](Nc2ccc3c(c2)OCCO3)N1c1ccc(Cl)cc1 ZINC000004900624 570360001 /nfs/dbraw/zinc/36/00/01/570360001.db2.gz JFLVLJLOFFDTEJ-OAQYLSRUSA-N 0 0 392.842 4.882 50 0 GJAARN Cc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)c1C ZINC000004908178 570361611 /nfs/dbraw/zinc/36/16/11/570361611.db2.gz QHBCAILMONALEB-KXBFYZLASA-N 0 0 387.277 4.836 50 0 GJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)C1 ZINC000004908055 570361622 /nfs/dbraw/zinc/36/16/22/570361622.db2.gz PWKBDCIERNLGTQ-QZTJIDSGSA-N 0 0 380.557 4.917 50 0 GJAARN CCc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc1 ZINC000004908240 570361772 /nfs/dbraw/zinc/36/17/72/570361772.db2.gz ARCNXIOSYKFQRU-LPHOPBHVSA-N 0 0 387.277 4.781 50 0 GJAARN CC(C)n1cc(CCNC(=O)C2(c3ccccc3)CCOCC2)c2ccccc21 ZINC000604418517 570362416 /nfs/dbraw/zinc/36/24/16/570362416.db2.gz JKQZWTPBZKSLHA-UHFFFAOYSA-N 0 0 390.527 4.629 50 0 GJAARN COc1cccc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000023568500 570366072 /nfs/dbraw/zinc/36/60/72/570366072.db2.gz JXXKSAPLPVOQJG-UHFFFAOYSA-N 0 0 389.455 4.611 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575619129 570366738 /nfs/dbraw/zinc/36/67/38/570366738.db2.gz HCBCJUDOJBNYIK-UHFFFAOYSA-N 0 0 381.863 4.801 50 0 GJAARN Cc1cc(C)n(-c2nc3ccccc3nc2NCCc2ccc(Cl)cc2)n1 ZINC000004924739 570370380 /nfs/dbraw/zinc/37/03/80/570370380.db2.gz CADCSUUQJUNVRI-UHFFFAOYSA-N 0 0 377.879 4.740 50 0 GJAARN CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NC3CCCC3)cc21 ZINC000004932095 570373030 /nfs/dbraw/zinc/37/30/30/570373030.db2.gz KEMTUYKZWBBPHE-MOSHPQCFSA-N 0 0 396.487 4.608 50 0 GJAARN Cc1ccc(/C=C2\Sc3ccc(C(=O)NC4CCCC4)cc3N(C)C2=O)cc1 ZINC000004931961 570373102 /nfs/dbraw/zinc/37/31/02/570373102.db2.gz YRZMPUCDJGSEOV-BKUYFWCQSA-N 0 0 392.524 4.777 50 0 GJAARN CCc1cccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)c1 ZINC000004935811 570373906 /nfs/dbraw/zinc/37/39/06/570373906.db2.gz MEKWEFIRXNWUFN-UHFFFAOYSA-N 0 0 386.451 4.670 50 0 GJAARN Cc1oc(-c2cccs2)nc1CSCCCn1c(=O)[nH]c2ccccc21 ZINC000023886038 570374824 /nfs/dbraw/zinc/37/48/24/570374824.db2.gz DOKZCGACBKEKAB-UHFFFAOYSA-N 0 0 385.514 4.678 50 0 GJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 ZINC000008335694 570375303 /nfs/dbraw/zinc/37/53/03/570375303.db2.gz YHGCWBDFSXUKNC-UHFFFAOYSA-N 0 0 392.484 4.576 50 0 GJAARN CCn1c2ccccc2c2sc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2c1=O ZINC000004939015 570375422 /nfs/dbraw/zinc/37/54/22/570375422.db2.gz XMVVJKRCVANHAN-GRDNDAEWSA-N 0 0 382.529 4.791 50 0 GJAARN CC(=O)c1c(C)cc(C)c(CSCC(=O)N2CCC(c3ccccc3)=N2)c1C ZINC000024072169 570378080 /nfs/dbraw/zinc/37/80/80/570378080.db2.gz PVZFRSRDSLIHLR-UHFFFAOYSA-N 0 0 394.540 4.684 50 0 GJAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)NCCCc1ccccc1 ZINC000090593000 570381286 /nfs/dbraw/zinc/38/12/86/570381286.db2.gz KBOJCVZOFJLIKI-UHFFFAOYSA-N 0 0 383.492 4.690 50 0 GJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3n[nH]c4ccccc43)n2)c1C ZINC000010944069 570382476 /nfs/dbraw/zinc/38/24/76/570382476.db2.gz GOAYLPBRFHCTNL-UHFFFAOYSA-N 0 0 379.489 4.767 50 0 GJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)N[C@H]1CCOc2ccccc21 ZINC000061139652 570382552 /nfs/dbraw/zinc/38/25/52/570382552.db2.gz FAEVACJRVNYNSS-SFHVURJKSA-N 0 0 382.847 4.923 50 0 GJAARN CCOc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OCC)cc2)cc1 ZINC000004542677 570383042 /nfs/dbraw/zinc/38/30/42/570383042.db2.gz FUFIMTYTHMUEMV-UHFFFAOYSA-N 0 0 384.476 4.622 50 0 GJAARN COc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc4c(cc3c21)OCO4 ZINC000004970079 570385274 /nfs/dbraw/zinc/38/52/74/570385274.db2.gz LBVLXSZILGAJON-UHFFFAOYSA-N 0 0 395.418 4.978 50 0 GJAARN 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/nfs/dbraw/zinc/49/85/97/570498597.db2.gz PNEQHIJKLVSYLR-UHFFFAOYSA-N 0 0 383.469 4.658 50 0 GJAARN Cc1cc(C(=O)COc2ncnc3sccc32)c(C)n1CCc1ccccc1 ZINC000006608659 570500077 /nfs/dbraw/zinc/50/00/77/570500077.db2.gz VNHXEGZOTZOFPR-UHFFFAOYSA-N 0 0 391.496 4.614 50 0 GJAARN CCCc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 ZINC000061717819 570500633 /nfs/dbraw/zinc/50/06/33/570500633.db2.gz DMGKLTVFUAXTBO-UHFFFAOYSA-N 0 0 395.513 4.657 50 0 GJAARN Cc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(C)c1C ZINC000002622495 570500886 /nfs/dbraw/zinc/50/08/86/570500886.db2.gz NULVNMKCRJNHLM-UHFFFAOYSA-N 0 0 389.830 4.805 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000061718950 570501816 /nfs/dbraw/zinc/50/18/16/570501816.db2.gz VIDPLVLLVPRUKA-UHFFFAOYSA-N 0 0 378.482 4.889 50 0 GJAARN COc1ccc2c(c1)S[C@H](CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N2 ZINC000061719603 570501903 /nfs/dbraw/zinc/50/19/03/570501903.db2.gz AUDPANAQOPVUPU-OAHLLOKOSA-N 0 0 396.390 4.805 50 0 GJAARN Cc1cccc(NC(=O)OCCNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1C ZINC000003087643 570502768 /nfs/dbraw/zinc/50/27/68/570502768.db2.gz URQMKSZMXYUHCW-CZUORRHYSA-N 0 0 399.318 4.559 50 0 GJAARN O=C(c1ccc(F)cc1)c1cn(Cc2cccc(F)c2)c2ccccc2c1=O ZINC000002687686 570503676 /nfs/dbraw/zinc/50/36/76/570503676.db2.gz LDHMJUOBNRTTJO-UHFFFAOYSA-N 0 0 375.374 4.559 50 0 GJAARN COc1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccc(C)cc2)cc1 ZINC000006610416 570503826 /nfs/dbraw/zinc/50/38/26/570503826.db2.gz UVYGQCRTZOKCKU-FQEVSTJZSA-N 0 0 395.528 4.913 50 0 GJAARN Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035999902 570506000 /nfs/dbraw/zinc/50/60/00/570506000.db2.gz YBPGGFHMPKQRQA-UHFFFAOYSA-N 0 0 395.934 4.751 50 0 GJAARN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000006622984 570506617 /nfs/dbraw/zinc/50/66/17/570506617.db2.gz LCCPOQOZCSEUIO-LLVKDONJSA-N 0 0 393.299 4.693 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1csc3c1CC[C@H](C)C3)CCCC2 ZINC000002708147 570506746 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Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000002786875 570514438 /nfs/dbraw/zinc/51/44/38/570514438.db2.gz HICMIHCZGSQZLX-UHFFFAOYSA-N 0 0 376.243 4.787 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000002787161 570514589 /nfs/dbraw/zinc/51/45/89/570514589.db2.gz AMESPWIGMPCYBK-UHFFFAOYSA-N 0 0 376.243 4.787 50 0 GJAARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5cc(C)n(C)n5)nc4c23)C1 ZINC000002798596 570516400 /nfs/dbraw/zinc/51/64/00/570516400.db2.gz PQKBHXMXNUUDPN-CYBMUJFWSA-N 0 0 394.548 4.589 50 0 GJAARN O=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1 ZINC000002798204 570516448 /nfs/dbraw/zinc/51/64/48/570516448.db2.gz YHBHJGFZNDPGIW-UHFFFAOYSA-N 0 0 381.650 4.539 50 0 GJAARN Cc1ccc2[nH]c(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)nc2c1 ZINC000006649736 570516595 /nfs/dbraw/zinc/51/65/95/570516595.db2.gz SWPUGQQARKHZJF-CYBMUJFWSA-N 0 0 396.541 4.793 50 0 GJAARN CC(C)Cn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccco1 ZINC000006649983 570517009 /nfs/dbraw/zinc/51/70/09/570517009.db2.gz 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CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000033270622 570522677 /nfs/dbraw/zinc/52/26/77/570522677.db2.gz BYKCIMBGEWATJQ-CQSZACIVSA-N 0 0 393.871 4.585 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(C)cc4)no3)no2)cc1 ZINC000606422403 570522683 /nfs/dbraw/zinc/52/26/83/570522683.db2.gz WVKJGTSQCWHECS-UHFFFAOYSA-N 0 0 375.384 4.566 50 0 GJAARN COCc1cc(C)nc2sc(-c3cc(-c4ccc(OC)cc4)no3)c(N)c21 ZINC000006659364 570522663 /nfs/dbraw/zinc/52/26/63/570522663.db2.gz YFOLUBHDCRKINL-UHFFFAOYSA-N 0 0 381.457 4.664 50 0 GJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc21 ZINC000002951387 570523022 /nfs/dbraw/zinc/52/30/22/570523022.db2.gz JKCUYZNZFCCSJB-NMWGTECJSA-N 0 0 395.415 4.522 50 0 GJAARN COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 ZINC000005235937 570524265 /nfs/dbraw/zinc/52/42/65/570524265.db2.gz BAMFYMPPMHJDPX-AWEZNQCLSA-N 0 0 383.879 4.800 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000005237992 570524397 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/nfs/dbraw/zinc/55/64/52/570556452.db2.gz YBLFLAKLBGNSPB-INIZCTEOSA-N 0 0 390.940 4.534 50 0 GJAARN COC(=O)c1c(F)c(F)c(Oc2ccc(C)cc2)c(F)c1N1CCCCC1 ZINC000006732607 570557129 /nfs/dbraw/zinc/55/71/29/570557129.db2.gz VLZHYVAUMVDUOY-UHFFFAOYSA-N 0 0 379.378 4.982 50 0 GJAARN CCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2C(C)C)CC1 ZINC000006735421 570558096 /nfs/dbraw/zinc/55/80/96/570558096.db2.gz YHFOBZYHFQHXDB-UHFFFAOYSA-N 0 0 394.563 4.723 50 0 GJAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c(Cl)c3)C(C)C)n2)cc1 ZINC000006736972 570559429 /nfs/dbraw/zinc/55/94/29/570559429.db2.gz GPYFREPEBQJERO-UHFFFAOYSA-N 0 0 399.878 4.758 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3C)c12 ZINC000040155219 570559803 /nfs/dbraw/zinc/55/98/03/570559803.db2.gz GVQDQWFLMVEXCE-ZDUSSCGKSA-N 0 0 386.455 4.649 50 0 GJAARN COc1ccc(CNc2nc3ccccc3c3nc(-c4cccc(C)c4)nn32)cc1 ZINC000009831170 570561615 /nfs/dbraw/zinc/56/16/15/570561615.db2.gz XMQSXAURKZCKJH-UHFFFAOYSA-N 0 0 395.466 4.874 50 0 GJAARN COc1ccc(N([C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000036246587 570561806 /nfs/dbraw/zinc/56/18/06/570561806.db2.gz RFFVNTCWXJMRTO-MRXNPFEDSA-N 0 0 385.460 4.791 50 0 GJAARN Cc1ccc(C)c(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)c1 ZINC000006737806 570562214 /nfs/dbraw/zinc/56/22/14/570562214.db2.gz CXBPIMBCDVHQET-UHFFFAOYSA-N 0 0 390.512 4.729 50 0 GJAARN COc1ccc2c(CCNC(=O)/C=C/c3cccc(C(F)(F)F)c3)c[nH]c2c1 ZINC000005348354 570562538 /nfs/dbraw/zinc/56/25/38/570562538.db2.gz MYTGESJFAUHXEJ-VMPITWQZSA-N 0 0 388.389 4.567 50 0 GJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005366152 570564591 /nfs/dbraw/zinc/56/45/91/570564591.db2.gz ZYWDEBPHUOMVMF-CQSZACIVSA-N 0 0 394.858 4.512 50 0 GJAARN CCCCCC(=O)Nc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1 ZINC000005367752 570564963 /nfs/dbraw/zinc/56/49/63/570564963.db2.gz MIAQMOYANZWUMQ-UHFFFAOYSA-N 0 0 381.472 4.564 50 0 GJAARN Cc1ccc(-c2noc(C3CCN(C(=O)Nc4ccc(C)c(F)c4)CC3)n2)cc1 ZINC000032975175 570565306 /nfs/dbraw/zinc/56/53/06/570565306.db2.gz YYFBQPCHDSUHIR-UHFFFAOYSA-N 0 0 394.450 4.904 50 0 GJAARN CCOC(=O)C1CCC(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000036620791 570565721 /nfs/dbraw/zinc/56/57/21/570565721.db2.gz NJRNQQNXIVLWFC-GXOAENINSA-N 0 0 392.927 4.556 50 0 GJAARN CCOC(=O)C1CCC(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000036619727 570565741 /nfs/dbraw/zinc/56/57/41/570565741.db2.gz MJXNAPVQEJHTCE-RJYAGPCLSA-N 0 0 392.927 4.556 50 0 GJAARN O=C(Oc1ccccc1F)c1nc(SCc2ccccc2F)ncc1Cl ZINC000006748055 570566306 /nfs/dbraw/zinc/56/63/06/570566306.db2.gz QGBHSJQIUWBURV-UHFFFAOYSA-N 0 0 392.814 4.920 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn21 ZINC000006748691 570567114 /nfs/dbraw/zinc/56/71/14/570567114.db2.gz VVGZCIYMIXEQNX-ZDUSSCGKSA-N 0 0 379.485 4.753 50 0 GJAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)c(Cl)c1 ZINC000006750624 570568184 /nfs/dbraw/zinc/56/81/84/570568184.db2.gz SOQMYNUBDSFSSD-UHFFFAOYSA-N 0 0 376.847 4.877 50 0 GJAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)cc1 ZINC000006751515 570569897 /nfs/dbraw/zinc/56/98/97/570569897.db2.gz BNYHQZMZSMZQDL-XGCWNURASA-N 0 0 381.497 4.528 50 0 GJAARN Cc1ccc(CN2C(=O)c3ccccc3CC[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000032977834 570570542 /nfs/dbraw/zinc/57/05/42/570570542.db2.gz MWHKAWMYNVCMCJ-RUZDIDTESA-N 0 0 392.543 4.505 50 0 GJAARN CCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 ZINC000006752948 570571933 /nfs/dbraw/zinc/57/19/33/570571933.db2.gz QUHMZMZZGKDJNZ-JOCHJYFZSA-N 0 0 391.471 4.526 50 0 GJAARN CC1CCN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)CC1 ZINC000032983493 570572148 /nfs/dbraw/zinc/57/21/48/570572148.db2.gz KMSSCYQZANGCIH-NDENLUEZSA-N 0 0 396.874 4.584 50 0 GJAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)N3CCSCC3)cc21 ZINC000032986754 570574203 /nfs/dbraw/zinc/57/42/03/570574203.db2.gz UQNROXIHWMAXAU-UHFFFAOYSA-N 0 0 396.487 4.629 50 0 GJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)cc1 ZINC000006759745 570574804 /nfs/dbraw/zinc/57/48/04/570574804.db2.gz ZMILOHLILQBAIV-UHFFFAOYSA-N 0 0 389.503 4.800 50 0 GJAARN COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000013495025 570575052 /nfs/dbraw/zinc/57/50/52/570575052.db2.gz SZZSHHXRGXTOGT-CQSZACIVSA-N 0 0 379.460 4.534 50 0 GJAARN Cn1nccc1-c1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000225451816 570575500 /nfs/dbraw/zinc/57/55/00/570575500.db2.gz VBRDRSHSSJZPJQ-UHFFFAOYSA-N 0 0 399.450 4.897 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@H](C)n2nc(-c3ccc(C)c(C)c3)ccc2=O)c(C)c1 ZINC000006767866 570578032 /nfs/dbraw/zinc/57/80/32/570578032.db2.gz VOMOFLZKIZZHKA-IBGZPJMESA-N 0 0 389.499 4.652 50 0 GJAARN CC(=O)c1cccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)c1 ZINC000032996362 570578756 /nfs/dbraw/zinc/57/87/56/570578756.db2.gz VXGHORWZUPNBLI-UHFFFAOYSA-N 0 0 376.416 4.851 50 0 GJAARN CC(C)NC(=O)c1cccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000032996610 570578775 /nfs/dbraw/zinc/57/87/75/570578775.db2.gz SLKCSKKNROCUFS-UHFFFAOYSA-N 0 0 375.350 4.561 50 0 GJAARN Cn1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2cc(F)ccc21 ZINC000225486084 570578888 /nfs/dbraw/zinc/57/88/88/570578888.db2.gz WOZVBHGXTWODCW-UHFFFAOYSA-N 0 0 393.487 4.947 50 0 GJAARN Cc1cccc(NC(=O)Nc2nnc(N(CC(C)C)CC(C)C)s2)c1C ZINC000006768105 570579158 /nfs/dbraw/zinc/57/91/58/570579158.db2.gz YAYWYXBRAMJMEH-UHFFFAOYSA-N 0 0 375.542 4.917 50 0 GJAARN Cc1oc(-c2cccs2)nc1CN1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000011703380 570580042 /nfs/dbraw/zinc/58/00/42/570580042.db2.gz DCZQSSWQASELPJ-HXUWFJFHSA-N 0 0 382.529 4.527 50 0 GJAARN COc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2C)c1 ZINC000036248279 570582321 /nfs/dbraw/zinc/58/23/21/570582321.db2.gz GYTKEYXMVDAKCB-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN CCC(=O)Nc1ccc(-n2nc(OC)nc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000006776723 570584429 /nfs/dbraw/zinc/58/44/29/570584429.db2.gz USWFCZXHKBBENZ-UHFFFAOYSA-N 0 0 391.258 4.598 50 0 GJAARN C[C@H](c1ccon1)N(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000011818410 570584957 /nfs/dbraw/zinc/58/49/57/570584957.db2.gz LPFDATRGAHMYHQ-LLVKDONJSA-N 0 0 386.864 4.537 50 0 GJAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1ccc(F)cc1)c2-n1cccc1 ZINC000006780485 570587177 /nfs/dbraw/zinc/58/71/77/570587177.db2.gz SJBLLYYNZOURGR-UHFFFAOYSA-N 0 0 379.460 4.773 50 0 GJAARN CCOc1ccc(C(=O)[C@H](C)[C@H](C)c2cc(Cl)cc3c2OCOC3)c(O)c1 ZINC000002160658 570588740 /nfs/dbraw/zinc/58/87/40/570588740.db2.gz ZHTDENBYWIFXCL-QWHCGFSZSA-N 0 0 390.863 4.933 50 0 biogenic GJAARN COc1cccc([C@H]2CCCCN2Cc2nc(CCc3ccccc3)no2)c1 ZINC000011873788 570589551 /nfs/dbraw/zinc/58/95/51/570589551.db2.gz CDBRJLGCLCRBPF-OAQYLSRUSA-N 0 0 377.488 4.591 50 0 GJAARN O=C(c1cc2ccccc2[nH]1)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000097938022 570590056 /nfs/dbraw/zinc/59/00/56/570590056.db2.gz IHPLTAOFUZVZEM-UHFFFAOYSA-N 0 0 380.463 4.766 50 0 GJAARN CC(=O)c1cnn(-c2cc(Oc3ccc(-c4ccccc4)cc3)nc(C)n2)c1C ZINC000005428210 570590813 /nfs/dbraw/zinc/59/08/13/570590813.db2.gz SVXBUKAWLXRFPS-UHFFFAOYSA-N 0 0 384.439 4.941 50 0 GJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1Cc1ccc(F)cc1 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ZINC000006809672 570611822 /nfs/dbraw/zinc/61/18/22/570611822.db2.gz NOAAKSNIMXSKAK-UHFFFAOYSA-N 0 0 378.405 4.749 50 0 GJAARN Cc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 ZINC000064955611 570612109 /nfs/dbraw/zinc/61/21/09/570612109.db2.gz VPYTZQFPVVINRG-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN COc1ccccc1-c1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 ZINC000005499514 570614800 /nfs/dbraw/zinc/61/48/00/570614800.db2.gz ODKBGOBPMQJVRP-UHFFFAOYSA-N 0 0 391.905 4.598 50 0 GJAARN O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)NC1CCCCCC1 ZINC000005504639 570615355 /nfs/dbraw/zinc/61/53/55/570615355.db2.gz XIARBUGWSAKNQG-UHFFFAOYSA-N 0 0 378.683 4.643 50 0 GJAARN CCCCn1nnnc1CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000005505179 570615700 /nfs/dbraw/zinc/61/57/00/570615700.db2.gz UHGPMTKLPDFFED-UHFFFAOYSA-N 0 0 394.479 4.515 50 0 GJAARN COc1cccc(-n2cc(C(=O)Oc3cc(C)cc(C)c3)c3ccccc3c2=O)c1 ZINC000064977204 570622442 /nfs/dbraw/zinc/62/24/42/570622442.db2.gz FEGBTAUCCAHHLN-UHFFFAOYSA-N 0 0 399.446 4.835 50 0 GJAARN COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000012196200 570623026 /nfs/dbraw/zinc/62/30/26/570623026.db2.gz DKJCJNAFDPVDRB-SIKLNZKXSA-N 0 0 393.393 4.611 50 0 GJAARN Cc1cc2sc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)nc2c(C)c1 ZINC000006821263 570623255 /nfs/dbraw/zinc/62/32/55/570623255.db2.gz GIZXSKGXGCSVCS-QGZVFWFLSA-N 0 0 385.577 4.969 50 0 GJAARN Cc1cc2sc(N3CCC[C@H](C(=O)NCc4cccs4)C3)nc2c(C)c1 ZINC000006821363 570623325 /nfs/dbraw/zinc/62/33/25/570623325.db2.gz CNHOMWYGFGGIOZ-HNNXBMFYSA-N 0 0 385.558 4.507 50 0 GJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000012196953 570623510 /nfs/dbraw/zinc/62/35/10/570623510.db2.gz WKYZGWHPELJVNR-XMSQKQJNSA-N 0 0 376.412 4.539 50 0 GJAARN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC5(CC[C@]34C)OCCO5)[C@H]1CCC21OCCO1 ZINC000005529903 570626865 /nfs/dbraw/zinc/62/68/65/570626865.db2.gz MNFVYVHTLBDTIR-LPYKTLRWSA-N 0 0 376.537 4.515 50 0 GJAARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000004597469 570629147 /nfs/dbraw/zinc/62/91/47/570629147.db2.gz HHZXLLAYHLGEBG-HXUWFJFHSA-N 0 0 394.906 4.847 50 0 GJAARN COc1cccc(C2=Nn3c(nnc3-c3ccc(Cl)c(Cl)c3)SC2)c1 ZINC000004598353 570630195 /nfs/dbraw/zinc/63/01/95/570630195.db2.gz OSGLFJKJKWLCNR-UHFFFAOYSA-N 0 0 391.283 4.619 50 0 GJAARN CC(C)CC(=O)C[C@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 ZINC000044126707 570632078 /nfs/dbraw/zinc/63/20/78/570632078.db2.gz OHYZKVRPGYYMCC-SFHVURJKSA-N 0 0 393.874 4.990 50 0 GJAARN CC[C@H](C(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)c1ccccc1 ZINC000064989775 570632298 /nfs/dbraw/zinc/63/22/98/570632298.db2.gz SQBQTXOBRMEMKP-QHCPKHFHSA-N 0 0 398.506 4.700 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O ZINC000005556489 570633327 /nfs/dbraw/zinc/63/33/27/570633327.db2.gz XTBIMNJHRLMFEZ-LLVKDONJSA-N 0 0 398.875 4.748 50 0 GJAARN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2c(C=O)cccc2-c2ccccc2)C1 ZINC000118862635 570633974 /nfs/dbraw/zinc/63/39/74/570633974.db2.gz CBWPIAQEJKRGGB-LJQANCHMSA-N 0 0 380.488 4.660 50 0 GJAARN COc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1OCC(C)C ZINC000006832104 570636094 /nfs/dbraw/zinc/63/60/94/570636094.db2.gz UXMHSSQXSHJBDT-UHFFFAOYSA-N 0 0 383.473 4.501 50 0 GJAARN O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCCCC1 ZINC000036357362 570637396 /nfs/dbraw/zinc/63/73/96/570637396.db2.gz WUUXUUWHXOYAHD-JOCHJYFZSA-N 0 0 388.511 4.756 50 0 GJAARN CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3cccc(OC)c3)c[nH]c21 ZINC000006835650 570637986 /nfs/dbraw/zinc/63/79/86/570637986.db2.gz MNEVIZWXQMDVMX-NRFANRHFSA-N 0 0 376.500 4.883 50 0 GJAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2c(-c3ccccc3)cnn21 ZINC000036358411 570639322 /nfs/dbraw/zinc/63/93/22/570639322.db2.gz DNHJKEAAJNCOJP-UHFFFAOYSA-N 0 0 396.372 4.976 50 0 GJAARN O=C(Nc1nnc(SCc2cc(F)cc(F)c2)s1)c1cccc(F)c1 ZINC000006839232 570640168 /nfs/dbraw/zinc/64/01/68/570640168.db2.gz BPXFPYBHPLXXQY-UHFFFAOYSA-N 0 0 381.404 4.500 50 0 GJAARN COc1cc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc(OC)c1 ZINC000006839474 570640268 /nfs/dbraw/zinc/64/02/68/570640268.db2.gz 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ZINC000006874331 570665238 /nfs/dbraw/zinc/66/52/38/570665238.db2.gz FPPZCHJFFDJOMJ-IBGZPJMESA-N 0 0 399.922 4.762 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)c1 ZINC000006875540 570665717 /nfs/dbraw/zinc/66/57/17/570665717.db2.gz QTIKJBAWCSILTF-SFTDATJTSA-N 0 0 390.508 4.914 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000005613320 570669978 /nfs/dbraw/zinc/66/99/78/570669978.db2.gz NRUSEHJKXCKVQC-UHFFFAOYSA-N 0 0 387.650 4.623 50 0 GJAARN Cc1ccc(CNC(=O)c2sc(=S)n(-c3cc(C)ccc3C)c2N)cc1 ZINC000012415615 570669378 /nfs/dbraw/zinc/66/93/78/570669378.db2.gz ZWMTWGSVWVMMSC-UHFFFAOYSA-N 0 0 383.542 4.706 50 0 GJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000072328904 570675023 /nfs/dbraw/zinc/67/50/23/570675023.db2.gz IMQAXUOXMPROEH-UHFFFAOYSA-N 0 0 379.769 4.679 50 0 GJAARN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000006881142 570676231 /nfs/dbraw/zinc/67/62/31/570676231.db2.gz SDZGICZGULTBNP-NHYWBVRUSA-N 0 0 397.327 4.537 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570692519 /nfs/dbraw/zinc/69/25/19/570692519.db2.gz YOYAWURCYQOZHF-AREMUKBSSA-N 0 0 391.920 4.861 50 0 GJAARN CCc1ccccc1NC(=O)[C@@H](CC)Sc1nncn2c3cc(C)oc3cc12 ZINC000006894067 570693297 /nfs/dbraw/zinc/69/32/97/570693297.db2.gz YDOBVAAKXBNXGJ-LJQANCHMSA-N 0 0 394.500 4.856 50 0 GJAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2ccc(F)cc2)c2cc3occc3n21 ZINC000006894244 570693642 /nfs/dbraw/zinc/69/36/42/570693642.db2.gz HQGTYWBNRQUNCV-KRWDZBQOSA-N 0 0 398.463 4.686 50 0 GJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 ZINC000012637287 570694337 /nfs/dbraw/zinc/69/43/37/570694337.db2.gz YJYFUEFUUNWAMP-QGZVFWFLSA-N 0 0 377.488 4.612 50 0 GJAARN O=C([O-])c1c(C[NH2+]Cc2cccc(F)c2)c2ccccc2n1Cc1ccccc1 ZINC000006899721 570694701 /nfs/dbraw/zinc/69/47/01/570694701.db2.gz NQHICCZPBMKDCJ-UHFFFAOYSA-N 0 0 388.442 4.817 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(O)ccc3C)C2=O)cc1C ZINC000012651796 570695573 /nfs/dbraw/zinc/69/55/73/570695573.db2.gz DDBDOWQBZWMGCV-HYARGMPZSA-N 0 0 398.462 4.957 50 0 GJAARN O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)cc1Cl ZINC000207969847 570696100 /nfs/dbraw/zinc/69/61/00/570696100.db2.gz ZMNIEJIKOPHFCV-SFHVURJKSA-N 0 0 375.852 4.552 50 0 GJAARN CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000004358590 570696473 /nfs/dbraw/zinc/69/64/73/570696473.db2.gz NTPIEYYXRVORDC-ZDUSSCGKSA-N 0 0 387.892 4.631 50 0 GJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)NC1CCCCC1 ZINC000055551729 570696754 /nfs/dbraw/zinc/69/67/54/570696754.db2.gz HCPZYTBWQCFSGX-UHFFFAOYSA-N 0 0 395.551 4.639 50 0 aggregator GJAARN Cc1cccc(-c2cncc(C(=O)Nc3cccc(Oc4cnccn4)c3)c2)c1 ZINC000156723874 570696779 /nfs/dbraw/zinc/69/67/79/570696779.db2.gz SLZKRZUNAJASLB-UHFFFAOYSA-N 0 0 382.423 4.892 50 0 GJAARN COc1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)c1 ZINC000004358729 570698600 /nfs/dbraw/zinc/69/86/00/570698600.db2.gz UUOHROIBMAUSRR-UHFFFAOYSA-N 0 0 381.432 4.967 50 0 GJAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NC[C@@H]3CCCO3)cc12 ZINC000006913556 570700492 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O=C(Cc1ccccc1Cl)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219321397 570707164 /nfs/dbraw/zinc/70/71/64/570707164.db2.gz RQNSTRWUIVZNAT-SFHVURJKSA-N 0 0 381.875 4.868 50 0 GJAARN Cc1c(-c2nsc(Nc3cccc(Cl)c3)n2)nnn1-c1cccc(F)c1 ZINC000065134777 570709042 /nfs/dbraw/zinc/70/90/42/570709042.db2.gz SRABJILYGPJTSK-UHFFFAOYSA-N 0 0 386.843 4.630 50 0 GJAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(Br)cc3)nc(=O)c2c1C ZINC000025060326 570711383 /nfs/dbraw/zinc/71/13/83/570711383.db2.gz ZGAYTOVITYSPGL-VIFPVBQESA-N 0 0 378.295 4.537 50 0 GJAARN Cc1sc2[nH]c([C@@H](C)Nc3ccc(Br)cc3)nc(=O)c2c1C ZINC000025060317 570711455 /nfs/dbraw/zinc/71/14/55/570711455.db2.gz ZGAYTOVITYSPGL-SECBINFHSA-N 0 0 378.295 4.537 50 0 GJAARN CC(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036447045 570712032 /nfs/dbraw/zinc/71/20/32/570712032.db2.gz JHKCVPMMUZVHHB-NRFANRHFSA-N 0 0 396.537 4.598 50 0 GJAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000001140712 570712287 /nfs/dbraw/zinc/71/22/87/570712287.db2.gz 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/nfs/dbraw/zinc/72/75/40/570727540.db2.gz DNUXOXNLAVHBDY-UHFFFAOYSA-N 0 0 375.501 4.612 50 0 GJAARN O=C(NCCc1ccc(Cl)s1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000058369940 570729699 /nfs/dbraw/zinc/72/96/99/570729699.db2.gz MPBMKRIJAQUEPC-UHFFFAOYSA-N 0 0 393.899 4.984 50 0 GJAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)c1ccc(F)cc1 ZINC000004393786 570729995 /nfs/dbraw/zinc/72/99/95/570729995.db2.gz ILHKCJNXOXZSCZ-AWEZNQCLSA-N 0 0 377.415 4.681 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(Cl)cc2)cc1Cl ZINC000000938184 570730203 /nfs/dbraw/zinc/73/02/03/570730203.db2.gz IUPMJTLHBOERTQ-BCRSCGJKSA-N 0 0 378.255 4.885 50 0 GJAARN COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)Nc2ccccc2)cc1 ZINC000065210145 570730418 /nfs/dbraw/zinc/73/04/18/570730418.db2.gz KKBXJKXWTLTDOV-UHFFFAOYSA-N 0 0 387.439 4.542 50 0 GJAARN COc1cn(-c2ccccc2)nc1C(=O)Oc1ccc(C2SCCS2)cc1 ZINC000058393016 570730632 /nfs/dbraw/zinc/73/06/32/570730632.db2.gz RIVDCOYWBGUOIR-UHFFFAOYSA-N 0 0 398.509 4.579 50 0 GJAARN COc1cccc2cc([C@H](C)NC(=O)c3ccn(-c4cccc(Cl)c4)n3)oc21 ZINC000058393419 570730774 /nfs/dbraw/zinc/73/07/74/570730774.db2.gz RRRCFFYLYGEHGX-ZDUSSCGKSA-N 0 0 395.846 4.772 50 0 GJAARN CN(Cc1ccccc1)C(=O)c1cccc2c1CCN2C(=O)Nc1ccccc1 ZINC000065210059 570731401 /nfs/dbraw/zinc/73/14/01/570731401.db2.gz PHLSQMWSCIRZRQ-UHFFFAOYSA-N 0 0 385.467 4.553 50 0 GJAARN Cc1ccc(C)n1-c1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cnn1C ZINC000058426798 570733200 /nfs/dbraw/zinc/73/32/00/570733200.db2.gz VTGIOVHGXQINQA-UHFFFAOYSA-N 0 0 391.475 4.519 50 0 GJAARN O=C(Nc1ccsc1-c1nc(-c2cccc(F)c2)no1)c1ccc(F)cc1 ZINC000065219338 570734913 /nfs/dbraw/zinc/73/49/13/570734913.db2.gz MEOJPQDIELVUGY-UHFFFAOYSA-N 0 0 383.379 4.996 50 0 GJAARN COc1ccc(C)cc1N(C)C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000007000832 570736841 /nfs/dbraw/zinc/73/68/41/570736841.db2.gz FYRDTWAPYCRFPL-UHFFFAOYSA-N 0 0 393.487 4.643 50 0 GJAARN CC[C@@H](C)OC(=O)COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O ZINC000000957119 570738409 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CCn1cc(-c2nc(CC(=O)Nc3ccc(C)cc3F)cs2)c2cccnc21 ZINC000065241004 570745026 /nfs/dbraw/zinc/74/50/26/570745026.db2.gz QINNXTMRJUYCLM-UHFFFAOYSA-N 0 0 394.475 4.808 50 0 GJAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000025249206 570745079 /nfs/dbraw/zinc/74/50/79/570745079.db2.gz CHIRZLQKFCKUJF-UHFFFAOYSA-N 0 0 393.556 4.775 50 0 GJAARN O=C(Nc1cc(Nc2nccc(C(F)(F)F)n2)ccc1F)c1ccsc1 ZINC000052306276 570746895 /nfs/dbraw/zinc/74/68/95/570746895.db2.gz MRJPAQBKYDRUNJ-UHFFFAOYSA-N 0 0 382.342 4.692 50 0 GJAARN Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(C)c3C)[nH]c2c1 ZINC000033063728 570748913 /nfs/dbraw/zinc/74/89/13/570748913.db2.gz WWMNGIVZVOSQSF-UHFFFAOYSA-N 0 0 380.513 4.634 50 0 GJAARN Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)c(C)c1 ZINC000033063764 570748982 /nfs/dbraw/zinc/74/89/82/570748982.db2.gz NSDIZCKRSDVUTB-UHFFFAOYSA-N 0 0 380.513 4.634 50 0 GJAARN CC(C)n1cc(-c2cc(C(=O)N3CCC(C)(C)C3)c3cc(F)ccc3n2)cn1 ZINC000063833347 570750628 /nfs/dbraw/zinc/75/06/28/570750628.db2.gz 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COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000064984310 570757460 /nfs/dbraw/zinc/75/74/60/570757460.db2.gz PTTMYKNATGOLKF-NRFANRHFSA-N 0 0 387.545 4.926 50 0 GJAARN O=C(CSc1nc2ccccc2nc1Cc1ccccc1)Nc1ccccc1 ZINC000033068783 570757906 /nfs/dbraw/zinc/75/79/06/570757906.db2.gz MRJLCDTWVWXDNO-UHFFFAOYSA-N 0 0 385.492 4.951 50 0 GJAARN Cc1c(NC(=O)N(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000001154789 570758292 /nfs/dbraw/zinc/75/82/92/570758292.db2.gz JPWMMFOBHNJKJI-UHFFFAOYSA-N 0 0 398.466 4.855 50 0 GJAARN Cc1ccc(-c2noc3nc(-c4ccccc4)cc(C(=O)NCC(F)F)c32)cc1 ZINC000036618380 570759383 /nfs/dbraw/zinc/75/93/83/570759383.db2.gz ARDQTTRKEXSMLO-UHFFFAOYSA-N 0 0 393.393 4.860 50 0 GJAARN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000065364110 570760726 /nfs/dbraw/zinc/76/07/26/570760726.db2.gz GYAMHIBKSNAKTA-UHFFFAOYSA-N 0 0 377.231 4.707 50 0 GJAARN CCc1nn2c(nnc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccccc1 ZINC000013610799 570762544 /nfs/dbraw/zinc/76/25/44/570762544.db2.gz 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570782117 /nfs/dbraw/zinc/78/21/17/570782117.db2.gz NWJPELNOFJBXBB-GOSISDBHSA-N 0 0 394.696 4.749 50 0 GJAARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000007066750 570782756 /nfs/dbraw/zinc/78/27/56/570782756.db2.gz DXJMQTMWXKYBJA-UHFFFAOYSA-N 0 0 385.510 4.511 50 0 GJAARN Cc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(C)n1-c1ccnn1C(C)C ZINC000007088387 570784031 /nfs/dbraw/zinc/78/40/31/570784031.db2.gz TYFSXCFXUNUANQ-QFIPXVFZSA-N 0 0 389.503 4.600 50 0 GJAARN O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000169619072 570784093 /nfs/dbraw/zinc/78/40/93/570784093.db2.gz CEDCQJIFBBYFNV-OLMNPRSZSA-N 0 0 384.273 4.522 50 0 GJAARN c1nc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)oc1-c1ccccc1 ZINC000007089161 570784542 /nfs/dbraw/zinc/78/45/42/570784542.db2.gz GBBOINCGZBPYKZ-KRWDZBQOSA-N 0 0 393.424 4.529 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)C3CCCCC3)n2)cc1 ZINC000032744862 570785099 /nfs/dbraw/zinc/78/50/99/570785099.db2.gz OXZPIPQLHSBBKW-AWEZNQCLSA-N 0 0 386.517 4.823 50 0 GJAARN Oc1cccc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c1 ZINC000067673934 570785474 /nfs/dbraw/zinc/78/54/74/570785474.db2.gz FVZUCPXIXXWBRY-UHFFFAOYSA-N 0 0 381.859 4.813 50 0 GJAARN O=C(Nc1c(-c2ccccc2)nc2ccccn21)c1cc2c(c(Cl)c1)OCO2 ZINC000032740827 570786152 /nfs/dbraw/zinc/78/61/52/570786152.db2.gz RDZFRFHPFCOSKH-UHFFFAOYSA-N 0 0 391.814 4.636 50 0 GJAARN Cc1onc(-c2ccccc2)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 ZINC000004444814 570788598 /nfs/dbraw/zinc/78/85/98/570788598.db2.gz BAIZFZPDQLGZPZ-UHFFFAOYSA-N 0 0 385.803 4.527 50 0 GJAARN Fc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013777802 570789871 /nfs/dbraw/zinc/78/98/71/570789871.db2.gz XYTJWHSFAGZGJR-WMZHIEFXSA-N 0 0 388.398 4.797 50 0 GJAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1ccccc1F)CCO2 ZINC000067770451 570790009 /nfs/dbraw/zinc/79/00/09/570790009.db2.gz BRJNNEATWNZLIM-UHFFFAOYSA-N 0 0 377.415 4.542 50 0 GJAARN C[C@@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCc1c[nH]cn1 ZINC000067772635 570790502 /nfs/dbraw/zinc/79/05/02/570790502.db2.gz BWDLJCGMEFGYRR-SFHVURJKSA-N 0 0 380.536 4.636 50 0 GJAARN C[C@@H](O)c1cccc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 ZINC000067773851 570790621 /nfs/dbraw/zinc/79/06/21/570790621.db2.gz UUQDDXMOZJURHG-CQSZACIVSA-N 0 0 396.874 4.560 50 0 GJAARN Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccccc4)ccc3Cl)cc12 ZINC000110190916 570791495 /nfs/dbraw/zinc/79/14/95/570791495.db2.gz KTGCCGIAQGKGPQ-UHFFFAOYSA-N 0 0 376.847 4.849 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000036697779 570791822 /nfs/dbraw/zinc/79/18/22/570791822.db2.gz FZJDNGPPENGUGH-AVRDEDQJSA-N 0 0 384.479 4.884 50 0 GJAARN O=c1c2ccccc2nc(SCCc2ccncc2)n1-c1cccc(Cl)c1 ZINC000007112436 570792247 /nfs/dbraw/zinc/79/22/47/570792247.db2.gz FNTKVJUIXXBOIZ-UHFFFAOYSA-N 0 0 393.899 4.769 50 0 GJAARN FC(F)(F)c1cc(Cl)c2nnc(COc3ccccc3C(F)(F)F)n2c1 ZINC000263640107 570794582 /nfs/dbraw/zinc/79/45/82/570794582.db2.gz XWVQOEJQJACKGN-UHFFFAOYSA-N 0 0 395.690 4.999 50 0 GJAARN COc1cc(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)ccc1C ZINC000007117603 570796620 /nfs/dbraw/zinc/79/66/20/570796620.db2.gz CDXIJXXYEQJGMD-UHFFFAOYSA-N 0 0 391.467 4.521 50 0 GJAARN C[C@H](C(=O)Nc1ccc(SCc2cccnc2)cc1)n1cnc2ccccc21 ZINC000046673348 570797034 /nfs/dbraw/zinc/79/70/34/570797034.db2.gz GLPZSXDUJSKTFP-MRXNPFEDSA-N 0 0 388.496 4.923 50 0 GJAARN COC(=O)c1ccc(COC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)cc1 ZINC000005859813 570797797 /nfs/dbraw/zinc/79/77/97/570797797.db2.gz DBWSXFJXMXEEQZ-OAHLLOKOSA-N 0 0 389.451 4.503 50 0 GJAARN OCC1(Cc2ccccc2C(F)(F)F)CCN(c2ccc(Cl)cn2)CC1 ZINC000067935205 570798048 /nfs/dbraw/zinc/79/80/48/570798048.db2.gz CMMPQKGRKZNJBK-UHFFFAOYSA-N 0 0 384.829 4.575 50 0 GJAARN Cc1cccnc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000054127191 570799742 /nfs/dbraw/zinc/79/97/42/570799742.db2.gz ZOEADNLEWSNBKS-UHFFFAOYSA-N 0 0 394.319 4.519 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1Cc1ccccc1 ZINC000007128416 570799801 /nfs/dbraw/zinc/79/98/01/570799801.db2.gz CHQCWNHXWAKDTF-HSZRJFAPSA-N 0 0 380.451 4.639 50 0 GJAARN Cc1cc(NC(=O)C2(c3cccs3)CCOCC2)ccc1Br ZINC000004478974 570800747 /nfs/dbraw/zinc/80/07/47/570800747.db2.gz NNLOHNTXCWDZNP-UHFFFAOYSA-N 0 0 380.307 4.506 50 0 GJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000065331309 570801782 /nfs/dbraw/zinc/80/17/82/570801782.db2.gz AEPOYLSIFRQTRJ-GOSISDBHSA-N 0 0 381.863 4.787 50 0 GJAARN CCOc1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1 ZINC000033073156 570804552 /nfs/dbraw/zinc/80/45/52/570804552.db2.gz UCIYWQCFEKXQSH-UHFFFAOYSA-N 0 0 375.472 4.876 50 0 aggregator GJAARN CCN1c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583649045 570804888 /nfs/dbraw/zinc/80/48/88/570804888.db2.gz PXSFZBSYXMCIFL-FQEVSTJZSA-N 0 0 397.906 4.693 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(C)cc3C)C2)s1 ZINC000033078469 570804917 /nfs/dbraw/zinc/80/49/17/570804917.db2.gz SAYNXODEELGPHC-MRXNPFEDSA-N 0 0 394.544 4.726 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cc(C)cc(C)c3)C2)s1 ZINC000033078432 570804945 /nfs/dbraw/zinc/80/49/45/570804945.db2.gz ZPMUUDLFBSQZCU-INIZCTEOSA-N 0 0 394.544 4.726 50 0 GJAARN COc1cc(Cl)c(C)cc1NCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000005937778 570806505 /nfs/dbraw/zinc/80/65/05/570806505.db2.gz LSFQFNCXSLDTPC-UHFFFAOYSA-N 0 0 383.275 4.678 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084363 570806839 /nfs/dbraw/zinc/80/68/39/570806839.db2.gz MYXKSPDRJXKWTC-UHFFFAOYSA-N 0 0 380.517 4.859 50 0 GJAARN CCOC(=O)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl ZINC000004653379 570807039 /nfs/dbraw/zinc/80/70/39/570807039.db2.gz UQAPDJQRANMMJD-FRXJQHJJSA-N 0 0 389.923 4.667 50 0 GJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000032779298 570807718 /nfs/dbraw/zinc/80/77/18/570807718.db2.gz WDSWZHFAYYWGDZ-MRVPVSSYSA-N 0 0 390.196 4.647 50 0 GJAARN Cc1nc2ccccc2nc1CSCCC(=O)NCc1ccccc1Cl ZINC000032778718 570811668 /nfs/dbraw/zinc/81/16/68/570811668.db2.gz MVUVMLLJBJYNEG-UHFFFAOYSA-N 0 0 385.920 4.531 50 0 GJAARN Cc1ccc(OCc2nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 ZINC000005981374 570811759 /nfs/dbraw/zinc/81/17/59/570811759.db2.gz IRLWORGPKYXANN-UHFFFAOYSA-N 0 0 397.544 4.570 50 0 GJAARN COc1ccc(/C=C2\c3ccccc3C(=O)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000036770086 570811832 /nfs/dbraw/zinc/81/18/32/570811832.db2.gz NXUQETQJUOSFKC-KGENOOAVSA-N 0 0 399.446 4.740 50 0 GJAARN COc1cccc2cc(-c3nnc(Nc4cccc(C)c4C)s3)c(=O)oc21 ZINC000004662917 570812009 /nfs/dbraw/zinc/81/20/09/570812009.db2.gz JUQUVQXSTJTDTH-UHFFFAOYSA-N 0 0 379.441 4.681 50 0 GJAARN Cc1cccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc32)c1 ZINC000033114715 570813244 /nfs/dbraw/zinc/81/32/44/570813244.db2.gz QGIOVXKXDNGAPT-UHFFFAOYSA-N 0 0 392.528 4.659 50 0 GJAARN Fc1ccc(C(NCc2nc(-c3ccsc3)no2)c2ccc(F)cc2)cc1 ZINC000063471141 570813788 /nfs/dbraw/zinc/81/37/88/570813788.db2.gz PYRMORBXVARDFW-UHFFFAOYSA-N 0 0 383.423 4.956 50 0 GJAARN Cc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c(C)n1CC(F)(F)F ZINC000033125530 570818624 /nfs/dbraw/zinc/81/86/24/570818624.db2.gz RZFGDZUKOZVCFH-UHFFFAOYSA-N 0 0 388.393 4.685 50 0 GJAARN COCCN(Cc1cccs1)C(=O)c1cc2cccc(Br)c2o1 ZINC000036848715 570818684 /nfs/dbraw/zinc/81/86/84/570818684.db2.gz XKFBFBBUKNVXDT-UHFFFAOYSA-N 0 0 394.290 4.546 50 0 GJAARN Cc1ccc(C(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000033125887 570819018 /nfs/dbraw/zinc/81/90/18/570819018.db2.gz UKOFGFJYAGORTI-UHFFFAOYSA-N 0 0 399.922 4.712 50 0 GJAARN Cc1cccc(C(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000033125889 570819195 /nfs/dbraw/zinc/81/91/95/570819195.db2.gz KIZNXSZIJMPMMS-UHFFFAOYSA-N 0 0 399.922 4.712 50 0 GJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1C ZINC000101354158 570819773 /nfs/dbraw/zinc/81/97/73/570819773.db2.gz FEIUFGZGKNHUSA-UHFFFAOYSA-N 0 0 397.478 4.800 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2NC3=C(CCCCC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000004673050 570819926 /nfs/dbraw/zinc/81/99/26/570819926.db2.gz OHLBUEFLBNSUHL-DNVCBOLYSA-N 0 0 382.426 4.627 50 0 GJAARN Cc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccncc2)cc1C ZINC000004500485 570819924 /nfs/dbraw/zinc/81/99/24/570819924.db2.gz QELOEPOYHCRKBX-UHFFFAOYSA-N 0 0 380.517 4.653 50 0 GJAARN c1coc(CNc2nnc(SCc3csc(-c4ccccn4)n3)s2)c1 ZINC000012481307 570821515 /nfs/dbraw/zinc/82/15/15/570821515.db2.gz NLWJEGRCSWJOAE-UHFFFAOYSA-N 0 0 387.515 4.554 50 0 GJAARN CC1=C(CC(=O)NC2CC2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101465664 570823024 /nfs/dbraw/zinc/82/30/24/570823024.db2.gz ALVXJUSAQPKWCF-ONFXPOCRSA-N 0 0 395.499 4.560 50 0 GJAARN CN(C)c1cccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000032809143 570823573 /nfs/dbraw/zinc/82/35/73/570823573.db2.gz OYFZBPZOPRMZLU-UHFFFAOYSA-N 0 0 393.874 4.911 50 0 GJAARN COc1ccc(-c2cn3cc(-c4cccc(Br)c4)n(C)c3n2)cc1 ZINC000004678344 570824054 /nfs/dbraw/zinc/82/40/54/570824054.db2.gz AQSIYRBSUYSQKB-UHFFFAOYSA-N 0 0 382.261 4.778 50 0 GJAARN C[C@H]1C[C@H](C)CN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000065491831 570825708 /nfs/dbraw/zinc/82/57/08/570825708.db2.gz SVXFYLQIFKGLAS-UWVGGRQHSA-N 0 0 385.352 4.752 50 0 GJAARN COc1ccc(CNC(=O)c2cccc(-c3cnc4ccccc4c3)c2)c(OC)c1 ZINC000033140163 570826896 /nfs/dbraw/zinc/82/68/96/570826896.db2.gz UEXPFTGZRMTKJX-UHFFFAOYSA-N 0 0 398.462 4.849 50 0 biogenic GJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000007318900 570829266 /nfs/dbraw/zinc/82/92/66/570829266.db2.gz CGWZKOUWSWVFKG-QHCPKHFHSA-N 0 0 397.478 4.721 50 0 GJAARN Cc1ccccc1[S@](=O)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004682712 570829590 /nfs/dbraw/zinc/82/95/90/570829590.db2.gz PBECMKNRFIKDCK-VWLOTQADSA-N 0 0 390.917 4.518 50 0 GJAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 ZINC000004682095 570829873 /nfs/dbraw/zinc/82/98/73/570829873.db2.gz UFTJAFHXSAVLCM-UHFFFAOYSA-N 0 0 399.541 4.992 50 0 GJAARN CCc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 ZINC000004685327 570830628 /nfs/dbraw/zinc/83/06/28/570830628.db2.gz NIXOYFGRMWEGRE-SJORKVTESA-N 0 0 388.302 4.876 50 0 GJAARN CCOc1ccc(CCNc2ncnc3c4ccccc4oc32)cc1OCC ZINC000004686846 570831219 /nfs/dbraw/zinc/83/12/19/570831219.db2.gz 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/nfs/dbraw/zinc/83/70/09/570837009.db2.gz PXWZHQUEZWEGDB-UHFFFAOYSA-N 0 0 376.485 4.713 50 0 GJAARN O=C(CSc1ncnc2c3ccccc3[nH]c21)Nc1ccc(F)cc1Cl ZINC000033172405 570837051 /nfs/dbraw/zinc/83/70/51/570837051.db2.gz OZSYGQXVMTZRFB-UHFFFAOYSA-N 0 0 386.839 4.634 50 0 GJAARN CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000007419704 570839439 /nfs/dbraw/zinc/83/94/39/570839439.db2.gz UNXFJPDBQCNERL-ZDUSSCGKSA-N 0 0 381.303 4.851 50 0 GJAARN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)cc3)sc2c1 ZINC000004690798 570839933 /nfs/dbraw/zinc/83/99/33/570839933.db2.gz MRNJPVYAJBTDTC-UHFFFAOYSA-N 0 0 399.541 4.774 50 0 GJAARN CCCn1c2ccccc2c2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)nc21 ZINC000012540488 570840587 /nfs/dbraw/zinc/84/05/87/570840587.db2.gz WKVFLIBYBDYWLN-LBPRGKRZSA-N 0 0 396.520 4.923 50 0 GJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000004694706 570840882 /nfs/dbraw/zinc/84/08/82/570840882.db2.gz RKMHUHNGNXSWMW-HNNXBMFYSA-N 0 0 387.741 4.657 50 0 GJAARN 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CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cnc(-c2ccccc2F)s1 ZINC000170630997 570884308 /nfs/dbraw/zinc/88/43/08/570884308.db2.gz PTLFHXHFVYZXCW-CXAGYDPISA-N 0 0 376.497 4.520 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000022257566 570884730 /nfs/dbraw/zinc/88/47/30/570884730.db2.gz PPBHOYLIHDWXRA-INIZCTEOSA-N 0 0 391.540 4.949 50 0 GJAARN O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OCCCO2 ZINC000012599149 570885739 /nfs/dbraw/zinc/88/57/39/570885739.db2.gz OATQCWNABWVFSM-UHFFFAOYSA-N 0 0 375.424 4.603 50 0 GJAARN CC[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000012601301 570886772 /nfs/dbraw/zinc/88/67/72/570886772.db2.gz LJQFVQSEXYJMQU-IBGZPJMESA-N 0 0 396.494 4.858 50 0 GJAARN CN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)[C@@H]1CCCc2ccccc21 ZINC000032898768 570888219 /nfs/dbraw/zinc/88/82/19/570888219.db2.gz WHJUWZNMBMKBAD-HSZRJFAPSA-N 0 0 396.494 4.629 50 0 GJAARN O=C(NCCc1cccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000012607234 570889185 /nfs/dbraw/zinc/88/91/85/570889185.db2.gz SGVYKSQGMNLFTB-UHFFFAOYSA-N 0 0 393.899 4.984 50 0 GJAARN COc1ccc(Cl)cc1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000015289937 570889222 /nfs/dbraw/zinc/88/92/22/570889222.db2.gz MSWQLSBMRYKEBF-UHFFFAOYSA-N 0 0 387.892 4.831 50 0 GJAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1c(C)cccc1C(C)C ZINC000024550214 570890738 /nfs/dbraw/zinc/89/07/38/570890738.db2.gz HGZSVRLMCYKQGW-UHFFFAOYSA-N 0 0 391.519 4.509 50 0 GJAARN Cc1nc(CSc2ccc(C(=O)NCCCOc3ccccc3)cc2)cs1 ZINC000023040967 570893274 /nfs/dbraw/zinc/89/32/74/570893274.db2.gz ZYSFPFKOBKIELQ-UHFFFAOYSA-N 0 0 398.553 4.943 50 0 GJAARN O=C(Nc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1)c1ccccc1 ZINC000023055419 570895556 /nfs/dbraw/zinc/89/55/56/570895556.db2.gz IFCZJAHTAIJPKQ-SJLPKXTDSA-N 0 0 390.405 4.790 50 0 GJAARN COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)c(OC)c1 ZINC000013331390 570896035 /nfs/dbraw/zinc/89/60/35/570896035.db2.gz PIQSWFMKUADFLO-UHFFFAOYSA-N 0 0 394.475 4.518 50 0 GJAARN O=C(CCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000005136269 570897904 /nfs/dbraw/zinc/89/79/04/570897904.db2.gz DUTBSCROIJQFNO-UHFFFAOYSA-N 0 0 390.508 4.912 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000022490874 570899457 /nfs/dbraw/zinc/89/94/57/570899457.db2.gz QDLZGEBYRBIUHF-UHFFFAOYSA-N 0 0 392.890 4.652 50 0 GJAARN CCCc1nc(SCc2ccc(OC)cc2)n(CC(=O)OCC)c1CCC ZINC000004024025 570900823 /nfs/dbraw/zinc/90/08/23/570900823.db2.gz ONLYUBBWAMUGEU-UHFFFAOYSA-N 0 0 390.549 4.652 50 0 GJAARN CC1=C[C@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@H](c3ccccc3)[C@H]1[C@H]2C ZINC000004026352 570904394 /nfs/dbraw/zinc/90/43/94/570904394.db2.gz HNJMMPWWHNRBHV-IRYUZJHDSA-N 0 0 397.559 4.622 50 0 biogenic GJAARN CCn1c(SCc2noc(-c3ccc(C)cc3)n2)nnc1-c1ccoc1C ZINC000032905986 570906862 /nfs/dbraw/zinc/90/68/62/570906862.db2.gz TVKSGOJSSYCWHB-UHFFFAOYSA-N 0 0 381.461 4.517 50 0 GJAARN CCn1cc(-c2cccc(C(=O)N(C)Cc3cccc(SC)c3)c2)c(C)n1 ZINC000534646514 570909245 /nfs/dbraw/zinc/90/92/45/570909245.db2.gz VUBWMRXKDIQVPG-UHFFFAOYSA-N 0 0 379.529 4.873 50 0 GJAARN COc1ccc(-c2csc3c2ncn(Cc2ccc(Cl)cc2)c3=O)cc1 ZINC000023126649 570909924 /nfs/dbraw/zinc/90/99/24/570909924.db2.gz NEPVCXNJOFYTFB-UHFFFAOYSA-N 0 0 382.872 4.835 50 0 GJAARN COc1cccc(Cn2cnc3c(-c4cccc(Cl)c4)csc3c2=O)c1 ZINC000023126541 570910445 /nfs/dbraw/zinc/91/04/45/570910445.db2.gz UPZIGSPIIDJKJQ-UHFFFAOYSA-N 0 0 382.872 4.835 50 0 GJAARN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2c(s1)CCCCCC2 ZINC000046749656 570911697 /nfs/dbraw/zinc/91/16/97/570911697.db2.gz GUBCKOQNOXWNEN-UHFFFAOYSA-N 0 0 396.512 4.703 50 0 GJAARN Fc1cccc(Cl)c1[C@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1 ZINC000089768032 570912171 /nfs/dbraw/zinc/91/21/71/570912171.db2.gz LKDAOLCBPQYJKM-ZDUSSCGKSA-N 0 0 388.796 4.537 50 0 GJAARN CCOc1ccc(OCC(=O)OCc2cc3ccc(C)cc3nc2Cl)cc1 ZINC000032911208 570914533 /nfs/dbraw/zinc/91/45/33/570914533.db2.gz LUATWZOSPVMPOE-UHFFFAOYSA-N 0 0 385.847 4.718 50 0 GJAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(Cl)c1Cl ZINC000032912100 570914921 /nfs/dbraw/zinc/91/49/21/570914921.db2.gz NLHFPONFRKWGGD-UHFFFAOYSA-N 0 0 388.298 4.850 50 0 GJAARN O=S(=O)(c1ccc(N[C@@H](c2ccccc2)c2ccccn2)cc1)C(F)(F)F ZINC000089827646 570916257 /nfs/dbraw/zinc/91/62/57/570916257.db2.gz UAVLRTPTIZCQCT-SFHVURJKSA-N 0 0 392.402 4.577 50 0 GJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C)c3ccccn32)cc1 ZINC000004585205 570916381 /nfs/dbraw/zinc/91/63/81/570916381.db2.gz YGLLPIFXADYFPS-UHFFFAOYSA-N 0 0 383.451 4.622 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000004032225 570918120 /nfs/dbraw/zinc/91/81/20/570918120.db2.gz RZXJIKMQXGMLCG-UHFFFAOYSA-N 0 0 377.831 4.901 50 0 GJAARN O=C(COc1ccc(OCc2cccnc2)cc1)Nc1ccc2ccccc2c1 ZINC000089878769 570918177 /nfs/dbraw/zinc/91/81/77/570918177.db2.gz FBNVSZWYYTYPRO-UHFFFAOYSA-N 0 0 384.435 4.831 50 0 GJAARN COc1cc(C(=O)N[C@@H](c2cccs2)C(C)C)ccc1OCc1ccncc1 ZINC000031895646 570918536 /nfs/dbraw/zinc/91/85/36/570918536.db2.gz FUWAJMXAINUIFM-OAQYLSRUSA-N 0 0 396.512 4.858 50 0 GJAARN CCCCc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000016263037 570919803 /nfs/dbraw/zinc/91/98/03/570919803.db2.gz MPWINSVHZKFDHU-HXUWFJFHSA-N 0 0 381.907 4.936 50 0 GJAARN CCCCN(C(=O)c1ccc(-c2ccc(CC(N)=O)cc2)cc1)C1CCCC1 ZINC000534670092 570920384 /nfs/dbraw/zinc/92/03/84/570920384.db2.gz QSAMPXGDDGCDCS-UHFFFAOYSA-N 0 0 378.516 4.566 50 0 GJAARN Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)[NH+]3CCC(C)CC3)c([O-])n2n1 ZINC000023157154 570920425 /nfs/dbraw/zinc/92/04/25/570920425.db2.gz QDDLQMDCVDVUAJ-GOSISDBHSA-N 0 0 384.549 4.750 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000004585508 570921433 /nfs/dbraw/zinc/92/14/33/570921433.db2.gz QMKRHKWBVDUFIW-UHFFFAOYSA-N 0 0 389.499 4.993 50 0 GJAARN CCOc1ccccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000014856939 570923520 /nfs/dbraw/zinc/92/35/20/570923520.db2.gz ZTKZLNRUOMSZIQ-UHFFFAOYSA-N 0 0 386.448 4.821 50 0 GJAARN CCOc1ncccc1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C ZINC000004063082 570928026 /nfs/dbraw/zinc/92/80/26/570928026.db2.gz FHUVHFDZWRUJQB-UHFFFAOYSA-N 0 0 390.468 4.713 50 0 GJAARN C[S@](=O)Cc1ccc(Cl)c(NCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000133903761 570929419 /nfs/dbraw/zinc/92/94/19/570929419.db2.gz RCUKOCLZGJTNLP-RUZDIDTESA-N 0 0 396.299 4.534 50 0 GJAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000002877426 570934237 /nfs/dbraw/zinc/93/42/37/570934237.db2.gz ZCZSDKGNECAPBF-MSOLQXFVSA-N 0 0 381.950 4.722 50 0 GJAARN CC(=O)Nc1ccccc1C(=O)OCc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000003017664 570934279 /nfs/dbraw/zinc/93/42/79/570934279.db2.gz LOKRDWKXIMMNOX-UHFFFAOYSA-N 0 0 397.434 4.612 50 0 GJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2cc(C)ccc2C)cc1 ZINC000046913375 570935693 /nfs/dbraw/zinc/93/56/93/570935693.db2.gz CLZQDVVQLCOHMV-UHFFFAOYSA-N 0 0 399.498 4.845 50 0 GJAARN COc1ccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)[nH]n3)n2)cc1OC ZINC000046913917 570936598 /nfs/dbraw/zinc/93/65/98/570936598.db2.gz PUIJTNUSJZAQJK-UHFFFAOYSA-N 0 0 390.443 4.934 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3)c(C)c2oc1=O ZINC000002094500 570940901 /nfs/dbraw/zinc/94/09/01/570940901.db2.gz ANJQSTDVSYLNQY-UHFFFAOYSA-N 0 0 398.430 4.624 50 0 biogenic GJAARN COc1ccc(CN(CC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 ZINC000002100269 570942125 /nfs/dbraw/zinc/94/21/25/570942125.db2.gz SIEFQYYABPFRTB-RBBKRZOGSA-N 0 0 375.553 4.911 50 0 biogenic GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1 ZINC000047157684 570944609 /nfs/dbraw/zinc/94/46/09/570944609.db2.gz MWLALWUBSVLPHR-UHFFFAOYSA-N 0 0 386.249 4.621 50 0 GJAARN O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H](c1ccccc1)n1cccn1 ZINC000071831235 570945914 /nfs/dbraw/zinc/94/59/14/570945914.db2.gz JQTARSLFMXMFNQ-INIZCTEOSA-N 0 0 395.677 4.576 50 0 GJAARN CC(=O)c1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000032932989 570945913 /nfs/dbraw/zinc/94/59/13/570945913.db2.gz DEYAZYRNFXVKIY-UHFFFAOYSA-N 0 0 385.876 4.988 50 0 GJAARN Cc1ncc(Cl)c(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)n1 ZINC000170640118 570946214 /nfs/dbraw/zinc/94/62/14/570946214.db2.gz QQAVNUOJWBUJLL-IBGZPJMESA-N 0 0 377.831 4.704 50 0 GJAARN Cc1nc2cccnc2n1-c1cccc(C(=O)NCc2cccc(Cl)c2)c1C ZINC000032932062 570946386 /nfs/dbraw/zinc/94/63/86/570946386.db2.gz QQJAAHTZATYGEF-UHFFFAOYSA-N 0 0 390.874 4.621 50 0 GJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccs1 ZINC000002335229 570947423 /nfs/dbraw/zinc/94/74/23/570947423.db2.gz ZBUFPJZGTZNJQY-UHFFFAOYSA-N 0 0 392.937 4.719 50 0 GJAARN COc1cccc(-n2c(/C=C/c3ccccc3N(C)C)nc3ccccc3c2=O)c1 ZINC000004733179 570947913 /nfs/dbraw/zinc/94/79/13/570947913.db2.gz QGKFKPVTDFPCSY-FOCLMDBBSA-N 0 0 397.478 4.631 50 0 GJAARN Cc1cc(C)n2c(nc(-c3ccsc3)c2Nc2ccc3c(c2)OCCO3)n1 ZINC000004734340 570948497 /nfs/dbraw/zinc/94/84/97/570948497.db2.gz GRNKEYCXLPGYGA-UHFFFAOYSA-N 0 0 378.457 4.589 50 0 GJAARN CCCCc1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1 ZINC000004739329 570953343 /nfs/dbraw/zinc/95/33/43/570953343.db2.gz XJDAJVFGNGRGFY-UHFFFAOYSA-N 0 0 375.544 4.827 50 0 GJAARN Cc1ccccc1Sc1nccnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000033288965 570956458 /nfs/dbraw/zinc/95/64/58/570956458.db2.gz WUWJVAIBXYABLM-INIZCTEOSA-N 0 0 395.553 4.906 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 ZINC000012041372 570957258 /nfs/dbraw/zinc/95/72/58/570957258.db2.gz XHDPYQMQFJPTMH-UHFFFAOYSA-N 0 0 377.440 4.556 50 0 GJAARN COc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@]21CCOC(C)(C)C1 ZINC000001318614 570957326 /nfs/dbraw/zinc/95/73/26/570957326.db2.gz FMIWDKMHNWWDFR-AUSIDOKSSA-N 0 0 378.472 4.524 50 0 biogenic GJAARN CCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(N(C)C(C)=O)c2)cc1 ZINC000001318952 570957444 /nfs/dbraw/zinc/95/74/44/570957444.db2.gz NBCAMNKPEJKFTF-UHFFFAOYSA-N 0 0 379.456 4.905 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCOc1ccccc1 ZINC000025777176 570958864 /nfs/dbraw/zinc/95/88/64/570958864.db2.gz UMZVWWWUEMGIGV-UHFFFAOYSA-N 0 0 388.826 4.641 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1F ZINC000004120544 570959374 /nfs/dbraw/zinc/95/93/74/570959374.db2.gz VMEWAMYDZPISJJ-UHFFFAOYSA-N 0 0 382.382 4.590 50 0 GJAARN FC(F)(F)c1cc(-c2ccco2)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000012139337 570960155 /nfs/dbraw/zinc/96/01/55/570960155.db2.gz ZWHHTFRTILOTLT-UHFFFAOYSA-N 0 0 376.363 4.924 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)c(C)s2)sc1C ZINC000033290022 570960747 /nfs/dbraw/zinc/96/07/47/570960747.db2.gz IJOLNUZCQVSQPF-UHFFFAOYSA-N 0 0 392.571 4.618 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)N(C)c3ccc(C)cc3)c(C)s2)n1 ZINC000033290007 570960828 /nfs/dbraw/zinc/96/08/28/570960828.db2.gz ZIESSRAGSVLWRC-UHFFFAOYSA-N 0 0 378.544 4.622 50 0 GJAARN CCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C ZINC000002130286 570962035 /nfs/dbraw/zinc/96/20/35/570962035.db2.gz LDOBIWVBSLCENL-OSVJCPFSSA-N 0 0 390.527 4.811 50 0 biogenic GJAARN CSc1nc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000033298822 570962626 /nfs/dbraw/zinc/96/26/26/570962626.db2.gz LUUHSXDWNNEXRB-UHFFFAOYSA-N 0 0 384.935 4.614 50 0 GJAARN COCCn1c(C)c(C)nc1SCc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000047560674 570964556 /nfs/dbraw/zinc/96/45/56/570964556.db2.gz VMDAPGBRRQVHKE-UHFFFAOYSA-N 0 0 392.908 4.507 50 0 GJAARN COc1cccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c1 ZINC000012223566 570967308 /nfs/dbraw/zinc/96/73/08/570967308.db2.gz UPMCQAZCMBCEKX-UHFFFAOYSA-N 0 0 392.484 4.866 50 0 GJAARN C[C@H]1CN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)[C@H]1c1ccccc1 ZINC000170643667 570968692 /nfs/dbraw/zinc/96/86/92/570968692.db2.gz UAMDNSIJCZJCRZ-BLLLJJGKSA-N 0 0 387.361 4.589 50 0 GJAARN CCC(=O)N[C@H](N(Cc1ccccc1)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000019300966 570974024 /nfs/dbraw/zinc/97/40/24/570974024.db2.gz UWHQJNFTVYCSSP-GOSISDBHSA-N 0 0 399.749 4.911 50 0 GJAARN COc1ccc(-c2nc3sccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004597539 570974109 /nfs/dbraw/zinc/97/41/09/570974109.db2.gz XUBZAMVAKAUWCD-UHFFFAOYSA-N 0 0 379.441 4.586 50 0 GJAARN O=C(NCCOc1cccc(Cl)c1)c1ccc(C2SCCS2)cc1 ZINC000060585692 570974085 /nfs/dbraw/zinc/97/40/85/570974085.db2.gz HMUIZDBEKGKVKL-UHFFFAOYSA-N 0 0 379.934 4.627 50 0 GJAARN CCOc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(Br)c3)C2)cc1 ZINC000252493477 570974829 /nfs/dbraw/zinc/97/48/29/570974829.db2.gz NDDPRAHTHYBIEN-IBGZPJMESA-N 0 0 387.277 4.545 50 0 GJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1F ZINC000011339626 570974773 /nfs/dbraw/zinc/97/47/73/570974773.db2.gz PYTGOOIVONBYPR-UHFFFAOYSA-N 0 0 385.442 4.668 50 0 GJAARN CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(C)s4)oc3C)CC2)cc1 ZINC000019334936 570975895 /nfs/dbraw/zinc/97/58/95/570975895.db2.gz KJWYCJJUQYSYJV-UHFFFAOYSA-N 0 0 395.528 4.545 50 0 GJAARN Cc1ccc(Oc2ccc(-c3noc([C@@H]4[C@H]5C[C@H]6OC(=O)[C@H]4[C@H]6C5)n3)cc2)cc1 ZINC000004770862 570976366 /nfs/dbraw/zinc/97/63/66/570976366.db2.gz LCVTXKPVIPUEBE-JBCQCRMPSA-N 0 0 388.423 4.502 50 0 GJAARN O=C(NCCc1cccs1)C1(c2ccc(Br)cc2)CCCC1 ZINC000025842683 570976829 /nfs/dbraw/zinc/97/68/29/570976829.db2.gz KNCTVNITQLDLFY-UHFFFAOYSA-N 0 0 378.335 4.681 50 0 GJAARN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837434 570978744 /nfs/dbraw/zinc/97/87/44/570978744.db2.gz XTGJDCXAIJPRNW-UHFFFAOYSA-N 0 0 394.631 4.884 50 0 GJAARN Cc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)c1 ZINC000033324935 570979035 /nfs/dbraw/zinc/97/90/35/570979035.db2.gz HHWDOOBMFJVFIW-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc54)n[nH]3)CC2)cc1 ZINC000044838868 570979070 /nfs/dbraw/zinc/97/90/70/570979070.db2.gz KBOAJVSGEUKKFC-UHFFFAOYSA-N 0 0 396.494 4.501 50 0 GJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3)n2)cc1 ZINC000033324959 570979047 /nfs/dbraw/zinc/97/90/47/570979047.db2.gz QRGXKJQOFDCYES-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(OC(C)C)cc3)cs2)cc1 ZINC000033326391 570980408 /nfs/dbraw/zinc/98/04/08/570980408.db2.gz JIRFJMPUHXCIQT-UHFFFAOYSA-N 0 0 396.512 4.999 50 0 GJAARN CCCC(CCC)C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000004585513 570982100 /nfs/dbraw/zinc/98/21/00/570982100.db2.gz OMZWFJDMKYUVQX-UHFFFAOYSA-N 0 0 377.488 4.849 50 0 GJAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(Cl)c1)SCC(=O)N2 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HQJJKHVHBQUOAT-UHFFFAOYSA-N 0 0 378.350 4.875 50 0 GJAARN COc1ccccc1-c1coc2cc(OC(=O)c3ccccc3F)ccc2c1=O ZINC000002393375 212145231 /nfs/dbraw/zinc/14/52/31/212145231.db2.gz CYSLPEPMRLDNKE-UHFFFAOYSA-N 0 0 390.366 4.827 50 0 GJAARN COc1ccccc1C(=O)Oc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000001447986 212145085 /nfs/dbraw/zinc/14/50/85/212145085.db2.gz BTQRZBRZWFFMKU-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 biogenic GJAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Br)cc21 ZINC000001160047 212143755 /nfs/dbraw/zinc/14/37/55/212143755.db2.gz INHQNOMYMYEXIH-UHFFFAOYSA-N 0 0 389.201 4.510 50 0 GJAARN CC(C)[C@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 ZINC000263588505 212141960 /nfs/dbraw/zinc/14/19/60/212141960.db2.gz UYIKSKPFNOAAKX-CTNGQTDRSA-N 0 0 392.528 4.919 50 0 GJAARN CSCC[C@H](C(=O)NCc1cccc(-c2nc(C)cs2)c1)n1cccc1 ZINC000263588512 212141518 /nfs/dbraw/zinc/14/15/18/212141518.db2.gz VBLWZDWOUKVTEO-GOSISDBHSA-N 0 0 385.558 4.531 50 0 GJAARN Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccccc4Cl)no3)c2CO1 ZINC000263615395 212141482 /nfs/dbraw/zinc/14/14/82/212141482.db2.gz CEVXAHQLWWXAOS-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN Clc1ccc([C@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 ZINC000263617656 212141118 /nfs/dbraw/zinc/14/11/18/212141118.db2.gz OWPQIJVUBCJDOC-GOSISDBHSA-N 0 0 384.867 4.906 50 0 GJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 ZINC000263617366 212141271 /nfs/dbraw/zinc/14/12/71/212141271.db2.gz NJYACACQAFUTDA-FQEVSTJZSA-N 0 0 394.475 4.651 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2CC2)[C@@H]1c1cccs1 ZINC000257173183 212140537 /nfs/dbraw/zinc/14/05/37/212140537.db2.gz FXHSLAOXBRJLMT-RTWAWAEBSA-N 0 0 396.556 4.601 50 0 GJAARN COCCn1cc(C(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)c2ccccc21 ZINC000253412505 212135470 /nfs/dbraw/zinc/13/54/70/212135470.db2.gz REZBMFHXMQAQGQ-NRFANRHFSA-N 0 0 387.483 4.576 50 0 biogenic GJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)cc1 ZINC000239275131 212133503 /nfs/dbraw/zinc/13/35/03/212133503.db2.gz BFNRBQXBRYDVKQ-UNMCSNQZSA-N 0 0 391.858 4.986 50 0 GJAARN c1ccc(C[Si]2(Cc3ccccc3)c3ccccc3Oc3ccccc32)cc1 ZINC000169818324 212112312 /nfs/dbraw/zinc/11/23/12/212112312.db2.gz WMAWYDTYVPPKQV-UHFFFAOYSA-N 0 0 378.547 4.919 50 0 GJAARN Cc1c2cc(F)ccc2oc1C(=O)N(CCc1ccccn1)Cc1ccncc1 ZINC000328591352 212082999 /nfs/dbraw/zinc/08/29/99/212082999.db2.gz PAUFKVDZMCHPGE-UHFFFAOYSA-N 0 0 389.430 4.555 50 0 GJAARN CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000328592425 212082186 /nfs/dbraw/zinc/08/21/86/212082186.db2.gz FEAIVFFTPIUDPU-OAQYLSRUSA-N 0 0 391.442 4.918 50 0 GJAARN CO[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000253470986 206283158 /nfs/dbraw/zinc/28/31/58/206283158.db2.gz AJZZRHKRZDDEBG-KRWDZBQOSA-N 0 0 378.350 4.961 50 0 GJAARN CC(C)n1nccc1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263587316 206287196 /nfs/dbraw/zinc/28/71/96/206287196.db2.gz FLOFFLYMBTZREN-GOSISDBHSA-N 0 0 384.483 4.941 50 0 GJAARN COc1ccc(CNC(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)cc1 ZINC000263587173 206287752 /nfs/dbraw/zinc/28/77/52/206287752.db2.gz CZGXHNJECNLYJW-SFHVURJKSA-N 0 0 383.879 4.707 50 0 GJAARN COc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 ZINC000000940502 206290455 /nfs/dbraw/zinc/29/04/55/206290455.db2.gz NLTINAPNEBXCHE-UHFFFAOYSA-N 0 0 394.404 4.875 50 0 GJAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 ZINC000009660060 206295127 /nfs/dbraw/zinc/29/51/27/206295127.db2.gz YXXJWQYIMJHWHP-UHFFFAOYSA-N 0 0 375.380 4.704 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C\C(C)(C)C)CC2 ZINC000096035023 206299941 /nfs/dbraw/zinc/29/99/41/206299941.db2.gz CDPOGYMQPZVZPY-IZUALYBUSA-N 0 0 385.529 4.842 50 0 GJAARN C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N21 ZINC000000625309 206307872 /nfs/dbraw/zinc/30/78/72/206307872.db2.gz MXAMHBCJAQWPLN-BTDLBPIBSA-N 0 0 399.878 4.580 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009134766 206308399 /nfs/dbraw/zinc/30/83/99/206308399.db2.gz VOFMKKYEYDABGM-UHFFFAOYSA-N 0 0 378.815 4.879 50 0 GJAARN O=C(Nc1c(Cl)cc(Br)cc1Br)c1ccco1 ZINC000000640051 206311232 /nfs/dbraw/zinc/31/12/32/206311232.db2.gz RZMNRJPVPPAMIB-UHFFFAOYSA-N 0 0 379.435 4.710 50 0 GJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCCc2ccccc2)cc1 ZINC000000647236 206311591 /nfs/dbraw/zinc/31/15/91/206311591.db2.gz ITENALVSAQMYHM-UHFFFAOYSA-N 0 0 388.492 4.729 50 0 GJAARN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1Cl ZINC000000645319 206312288 /nfs/dbraw/zinc/31/22/88/206312288.db2.gz ADHUAUJBTPHIHE-UHFFFAOYSA-N 0 0 385.872 4.734 50 0 GJAARN CC1(C)C[C@H](NC(=O)c2cccs2)C[C@](C)(CNC(=O)c2cccs2)C1 ZINC000000668836 206313838 /nfs/dbraw/zinc/31/38/38/206313838.db2.gz POELBCUWPASYPJ-XOBRGWDASA-N 0 0 390.574 4.554 50 0 GJAARN CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1-c1ccccc1 ZINC000000663826 206314065 /nfs/dbraw/zinc/31/40/65/206314065.db2.gz WILUAUBYPLVWKJ-UHFFFAOYSA-N 0 0 377.831 4.893 50 0 GJAARN CCc1nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c2cc1C ZINC000000663223 206314078 /nfs/dbraw/zinc/31/40/78/206314078.db2.gz ZNWXEQCDVLHDPN-UHFFFAOYSA-N 0 0 395.406 4.900 50 0 GJAARN Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c1C ZINC000000671374 206315141 /nfs/dbraw/zinc/31/51/41/206315141.db2.gz WZCHVJDJGXCWPU-VQHVLOKHSA-N 0 0 389.326 4.972 50 0 GJAARN O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccco3)cc2)cc1)c1ccco1 ZINC000000671630 206315404 /nfs/dbraw/zinc/31/54/04/206315404.db2.gz IGRFGAUCRYCZKL-UHFFFAOYSA-N 0 0 386.407 4.968 50 0 GJAARN COC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1-c1ccc(C)cc1 ZINC000000685927 206317216 /nfs/dbraw/zinc/31/72/16/206317216.db2.gz SPQCPKWDMNYBTA-UHFFFAOYSA-N 0 0 395.480 4.836 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc(F)c(Cl)c1 ZINC000000707312 206317427 /nfs/dbraw/zinc/31/74/27/206317427.db2.gz WQSWPHVLVDFDLD-FQEVSTJZSA-N 0 0 396.805 4.979 50 0 GJAARN O=C(NCCC1=CCCCC1)c1cccc(C(=O)NCCC2=CCCCC2)c1 ZINC000000695684 206317741 /nfs/dbraw/zinc/31/77/41/206317741.db2.gz NWWTTXCMEVQJOM-UHFFFAOYSA-N 0 0 380.532 4.927 50 0 GJAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCCCC1)CCC2 ZINC000000722347 206319012 /nfs/dbraw/zinc/31/90/12/206319012.db2.gz LDTIULWXEDSYSD-UHFFFAOYSA-N 0 0 382.529 4.814 50 0 GJAARN COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1OC(C)=O ZINC000000712966 206319675 /nfs/dbraw/zinc/31/96/75/206319675.db2.gz PZALTESGJYHRCV-UHFFFAOYSA-N 0 0 388.467 4.646 50 0 biogenic GJAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000000771829 206319900 /nfs/dbraw/zinc/31/99/00/206319900.db2.gz ZYSWBDASMRTCDG-YCIYHOANSA-N 0 0 399.877 4.911 50 0 GJAARN Cc1cccc(NC(=O)Nc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)c1 ZINC000009318521 206320561 /nfs/dbraw/zinc/32/05/61/206320561.db2.gz NMTQXEMBLCNIKZ-CQSZACIVSA-N 0 0 380.473 4.587 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000000792532 206321441 /nfs/dbraw/zinc/32/14/41/206321441.db2.gz XKVMGWGZVAIXEG-UHFFFAOYSA-N 0 0 396.575 4.843 50 0 GJAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC(C)CC4)c3n2)cc1 ZINC000000815327 206324741 /nfs/dbraw/zinc/32/47/41/206324741.db2.gz JAMSKUGCOKECMO-UHFFFAOYSA-N 0 0 384.430 4.514 50 0 GJAARN O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000000823314 206325210 /nfs/dbraw/zinc/32/52/10/206325210.db2.gz LAKCKAIWLZKUHH-UHFFFAOYSA-N 0 0 395.256 4.954 50 0 GJAARN Cc1cc2c(nc(-c3ccccc3)nc2C[C@@H](O)C(Cl)(Cl)Cl)s1 ZINC000000824038 206325257 /nfs/dbraw/zinc/32/52/57/206325257.db2.gz VRACCCATEMJPMC-CYBMUJFWSA-N 0 0 387.719 4.940 50 0 GJAARN CC(C)COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000000824808 206325297 /nfs/dbraw/zinc/32/52/97/206325297.db2.gz LEVVZJSUSAKOSR-UHFFFAOYSA-N 0 0 392.238 4.607 50 0 GJAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2cc(Br)c3ccccc3c2N1 ZINC000000861544 206328914 /nfs/dbraw/zinc/32/89/14/206328914.db2.gz ZGCCZJLTGIIXKX-CQSZACIVSA-N 0 0 396.240 4.805 50 0 GJAARN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccccc2)ccc1O ZINC000000860753 206329113 /nfs/dbraw/zinc/32/91/13/206329113.db2.gz QPOSHVSRJBAGDY-HSZRJFAPSA-N 0 0 397.434 4.541 50 0 GJAARN CCc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 ZINC000009131261 206306192 /nfs/dbraw/zinc/30/61/92/206306192.db2.gz GGTGAAIBSQSACO-KRWDZBQOSA-N 0 0 391.496 4.626 50 0 GJAARN O=C(Cc1cccc2ccccc21)OCC(=O)c1ccc(Br)cc1 ZINC000000910533 206333260 /nfs/dbraw/zinc/33/32/60/206333260.db2.gz AFQQHPRVCAFQNV-UHFFFAOYSA-N 0 0 383.241 4.571 50 0 GJAARN COc1ccc(N2CCn3c(SCc4cccc5ccccc54)nnc32)cc1 ZINC000009651685 206334381 /nfs/dbraw/zinc/33/43/81/206334381.db2.gz KZMDPWBGPBMMFF-UHFFFAOYSA-N 0 0 388.496 4.884 50 0 GJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 ZINC000009625428 206334649 /nfs/dbraw/zinc/33/46/49/206334649.db2.gz KHCPSTLXBQVXFU-UHFFFAOYSA-N 0 0 398.463 4.724 50 0 GJAARN S=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000000939656 206335496 /nfs/dbraw/zinc/33/54/96/206335496.db2.gz FOWZNHSTVPUTJX-UHFFFAOYSA-N 0 0 388.536 4.763 50 0 GJAARN Cc1nc2ccccc2nc1SCc1nc2ccccn2c1Br ZINC000000940860 206335595 /nfs/dbraw/zinc/33/55/95/206335595.db2.gz NVTGKQFSVKJTBK-UHFFFAOYSA-N 0 0 385.290 4.641 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc2c1CCCC2 ZINC000000942086 206335674 /nfs/dbraw/zinc/33/56/74/206335674.db2.gz UHXVTUIOZZVSRJ-UHFFFAOYSA-N 0 0 389.542 4.996 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000000950104 206336491 /nfs/dbraw/zinc/33/64/91/206336491.db2.gz QDZRHUHIMBPAPE-UHFFFAOYSA-N 0 0 379.510 4.945 50 0 GJAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)OCc1ccccc1 ZINC000000951371 206336897 /nfs/dbraw/zinc/33/68/97/206336897.db2.gz CHJDGGGZIRDJNJ-CYBMUJFWSA-N 0 0 384.526 4.794 50 0 GJAARN CCc1ccc(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)cc1 ZINC000000950703 206337110 /nfs/dbraw/zinc/33/71/10/206337110.db2.gz UBAJYAALVSRCJL-UHFFFAOYSA-N 0 0 396.439 4.726 50 0 biogenic GJAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(C)C)cc1 ZINC000000954672 206337665 /nfs/dbraw/zinc/33/76/65/206337665.db2.gz CSHPPJIFTIGZIJ-NRFANRHFSA-N 0 0 387.487 4.638 50 0 GJAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000000954338 206337709 /nfs/dbraw/zinc/33/77/09/206337709.db2.gz NONYLAVGPUNNCF-UHFFFAOYSA-N 0 0 384.819 4.580 50 0 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O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCc2ccccc2C1 ZINC000021656567 207233533 /nfs/dbraw/zinc/23/35/33/207233533.db2.gz LZWFBCBCQXPWEI-UHFFFAOYSA-N 0 0 399.519 4.864 50 0 GJAARN COc1ccc(Nc2ncnc3onc(-c4cc(F)cc(F)c4)c32)cc1Cl ZINC000021714824 207235094 /nfs/dbraw/zinc/23/50/94/207235094.db2.gz MIZMRZPDCDGBKK-UHFFFAOYSA-N 0 0 388.761 4.969 50 0 GJAARN CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723314 207236247 /nfs/dbraw/zinc/23/62/47/207236247.db2.gz NFFSDXSDXLDHON-UHFFFAOYSA-N 0 0 385.464 4.558 50 0 GJAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccnc1N1CCCC1 ZINC000021742846 207237163 /nfs/dbraw/zinc/23/71/63/207237163.db2.gz KZLNADUPMKRYMV-UHFFFAOYSA-N 0 0 390.921 4.773 50 0 GJAARN CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C)nn32)cc1 ZINC000021798809 207237793 /nfs/dbraw/zinc/23/77/93/207237793.db2.gz DYLFKIGLIHUBTR-UHFFFAOYSA-N 0 0 389.434 4.854 50 0 GJAARN Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4C)no3)CC2)cc1F ZINC000021881972 207240848 /nfs/dbraw/zinc/24/08/48/207240848.db2.gz 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NYLOQAXEQWPQIO-UHFFFAOYSA-N 0 0 399.479 4.833 50 0 GJAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 ZINC000032594076 207396973 /nfs/dbraw/zinc/39/69/73/207396973.db2.gz JAHLLENDWLAQIS-SFHVURJKSA-N 0 0 395.434 4.551 50 0 GJAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3F)cc2)n1 ZINC000032578617 207397176 /nfs/dbraw/zinc/39/71/76/207397176.db2.gz ZIOIRJUODQVSME-UHFFFAOYSA-N 0 0 389.814 4.670 50 0 GJAARN Clc1ccccc1-c1nc(CSc2nnnn2Cc2ccccc2)cs1 ZINC000032829006 207411532 /nfs/dbraw/zinc/41/15/32/207411532.db2.gz RQWWCOHFUASFEL-UHFFFAOYSA-N 0 0 399.932 4.791 50 0 GJAARN COc1ccc(-c2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)n[nH]2)cc1 ZINC000032617201 207398702 /nfs/dbraw/zinc/39/87/02/207398702.db2.gz QQFNTUCBPRCKPK-UHFFFAOYSA-N 0 0 386.333 4.821 50 0 GJAARN Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)cc(C)c1Cl ZINC000032624281 207399477 /nfs/dbraw/zinc/39/94/77/207399477.db2.gz CYHNIZZQPLTLFS-GFCCVEGCSA-N 0 0 389.814 4.552 50 0 GJAARN CCCCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c2cccnc12 ZINC000032623698 207399972 /nfs/dbraw/zinc/39/99/72/207399972.db2.gz VRYBFFQZBWJSDO-UHFFFAOYSA-N 0 0 388.423 4.772 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 ZINC000033012737 207429657 /nfs/dbraw/zinc/42/96/57/207429657.db2.gz CSNYZEWCXRBGQT-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN CC(=O)N(c1nc(/C=C2/C(=O)Nc3ccccc32)cs1)c1cccc(Cl)c1 ZINC000033034269 207433498 /nfs/dbraw/zinc/43/34/98/207433498.db2.gz APEXMOBAVFAOPI-LICLKQGHSA-N 0 0 395.871 4.974 50 0 GJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCc1ccccc1C ZINC000033059994 207434824 /nfs/dbraw/zinc/43/48/24/207434824.db2.gz KAKLSDMYJJMWAQ-UHFFFAOYSA-N 0 0 389.524 4.985 50 0 GJAARN C[C@@H](NC(=O)CCCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1 ZINC000033072547 207436622 /nfs/dbraw/zinc/43/66/22/207436622.db2.gz OLFDLYYJLLGPGA-LJQANCHMSA-N 0 0 398.510 4.680 50 0 GJAARN O=c1c2ccccc2nc(/C=C\c2ccc(F)c(F)c2)n1-c1ccccc1F ZINC000033096854 207439075 /nfs/dbraw/zinc/43/90/75/207439075.db2.gz XWALBMZTVPGIAO-BENRWUELSA-N 0 0 378.353 4.973 50 0 GJAARN Cc1c(F)cccc1NC(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1 ZINC000033264311 207446056 /nfs/dbraw/zinc/44/60/56/207446056.db2.gz ZWCLDQNVRKMGHW-LJQANCHMSA-N 0 0 397.494 4.684 50 0 GJAARN COc1ccc(CNc2nc3ccc(C)cc3cc2-c2noc(C)n2)cc1OC ZINC000033331534 207455903 /nfs/dbraw/zinc/45/59/03/207455903.db2.gz ILQSZGVQZPZVHN-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN O=C(NCc1ccco1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711729 207471551 /nfs/dbraw/zinc/47/15/51/207471551.db2.gz XXQGVPMOFVDIDS-UHFFFAOYSA-N 0 0 390.464 4.912 50 0 GJAARN CCNC(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1 ZINC000034713555 207472638 /nfs/dbraw/zinc/47/26/38/207472638.db2.gz WYPONQAPPZNTLP-UHFFFAOYSA-N 0 0 392.402 4.556 50 0 GJAARN CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1ccc(F)cc1 ZINC000035911204 207503727 /nfs/dbraw/zinc/50/37/27/207503727.db2.gz PWHGDBGXXZXLKL-UHFFFAOYSA-N 0 0 392.430 4.750 50 0 GJAARN Cc1ccccc1C(=O)Nc1ccccc1Oc1nc2ccccc2n2cnnc12 ZINC000035461170 207490856 /nfs/dbraw/zinc/49/08/56/207490856.db2.gz SBEYTOXFJDCDBU-UHFFFAOYSA-N 0 0 395.422 4.631 50 0 GJAARN Cn1nc(C(=O)NCCC2=CCCCC2)c2c1-c1cc(Cl)ccc1SC2 ZINC000035506662 207493550 /nfs/dbraw/zinc/49/35/50/207493550.db2.gz LXYJVOSSTIITIQ-UHFFFAOYSA-N 0 0 387.936 4.967 50 0 GJAARN C=Cc1ccc(CSc2nnc3n2c2ccsc2c(=O)n3CC(C)C)cc1 ZINC000035529135 207494893 /nfs/dbraw/zinc/49/48/93/207494893.db2.gz VCXKUQZYIGDYCE-UHFFFAOYSA-N 0 0 396.541 4.697 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccc(C)cc2)CC1 ZINC000035530386 207495246 /nfs/dbraw/zinc/49/52/46/207495246.db2.gz JERKJHJNMZWZRJ-UHFFFAOYSA-N 0 0 393.531 4.508 50 0 GJAARN Cc1ccc(-n2nnnc2C2(Nc3cccc(C(F)(F)F)c3)CCCC2)cc1 ZINC000035622475 207498299 /nfs/dbraw/zinc/49/82/99/207498299.db2.gz FAXFNLQYXLXGAM-UHFFFAOYSA-N 0 0 387.409 4.871 50 0 GJAARN Cc1ccn(CCCNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)n1 ZINC000036614039 207531979 /nfs/dbraw/zinc/53/19/79/207531979.db2.gz CILOADUKDJKFEV-UHFFFAOYSA-N 0 0 395.816 4.823 50 0 GJAARN COc1ccc(Cl)c(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(C)C)c1 ZINC000036636106 207535168 /nfs/dbraw/zinc/53/51/68/207535168.db2.gz YPQVFXOWYYWIIJ-UHFFFAOYSA-N 0 0 384.867 4.613 50 0 GJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]1c1ccncc1 ZINC000036661940 207536462 /nfs/dbraw/zinc/53/64/62/207536462.db2.gz MHPFIGMYMAXUFN-SFHVURJKSA-N 0 0 381.863 4.686 50 0 GJAARN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)CC(=O)N1Cc1ccc(F)cc1 ZINC000037575662 207547725 /nfs/dbraw/zinc/54/77/25/207547725.db2.gz YQHSYHJYAYFLFD-HXUWFJFHSA-N 0 0 395.474 4.959 50 0 GJAARN CCCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000039843886 207567166 /nfs/dbraw/zinc/56/71/66/207567166.db2.gz JTSDLIYLXNTOFZ-UHFFFAOYSA-N 0 0 388.464 4.834 50 0 GJAARN O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1cccc2cccnc21 ZINC000040566646 207601572 /nfs/dbraw/zinc/60/15/72/207601572.db2.gz OHQJLFLDUIDPNE-UHFFFAOYSA-N 0 0 388.659 4.963 50 0 GJAARN O=C(/N=c1\oc(-c2ccccc2)nc2oc(-c3ccccc3)nc21)c1ccccc1 ZINC000041155019 207620434 /nfs/dbraw/zinc/62/04/34/207620434.db2.gz OQKQZVVURDCQHU-RWEWTDSWSA-N 0 0 393.402 4.891 50 0 GJAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000044814020 207639429 /nfs/dbraw/zinc/63/94/29/207639429.db2.gz KQSQNQFDIBCZLH-FQEVSTJZSA-N 0 0 378.516 4.665 50 0 GJAARN Cc1ccc(Nc2nc3ccccc3nc2C(=O)OC[C@H]2CCCO2)cc1Cl ZINC000046141191 207671707 /nfs/dbraw/zinc/67/17/07/207671707.db2.gz PHDUPIUMIRJZKO-OAHLLOKOSA-N 0 0 397.862 4.671 50 0 GJAARN COc1ccccc1S(=O)(=O)N(c1ccc2[nH]ccc2c1)[C@H](C)CC(C)C ZINC000058208751 207769111 /nfs/dbraw/zinc/76/91/11/207769111.db2.gz LFLNVWTWGUQDCT-MRXNPFEDSA-N 0 0 386.517 4.806 50 0 GJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@@H]1CCCc2ccccc21)CO3 ZINC000057122030 207748315 /nfs/dbraw/zinc/74/83/15/207748315.db2.gz YPDPONXPYQDVCG-OAQYLSRUSA-N 0 0 375.468 4.893 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc(-c3cc(NC4CCCCC4)ncn3)cc2)o1 ZINC000064667369 207805274 /nfs/dbraw/zinc/80/52/74/207805274.db2.gz YLKJJVDRJFLINT-UHFFFAOYSA-N 0 0 390.487 4.720 50 0 GJAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000058402944 207777188 /nfs/dbraw/zinc/77/71/88/207777188.db2.gz KWLNUBYHNFMSAG-MRXNPFEDSA-N 0 0 381.501 4.880 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)COC2 ZINC000064384762 207799631 /nfs/dbraw/zinc/79/96/31/207799631.db2.gz DWYLFETYBIRQJA-UHFFFAOYSA-N 0 0 376.378 4.588 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)c1 ZINC000065135377 207836648 /nfs/dbraw/zinc/83/66/48/207836648.db2.gz LMBNCMMDTBKQBM-KRWDZBQOSA-N 0 0 393.437 4.750 50 0 GJAARN C[C@H](NC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000065136347 207839030 /nfs/dbraw/zinc/83/90/30/207839030.db2.gz PHXIJIKCABKRNQ-ZWKOTPCHSA-N 0 0 397.494 4.727 50 0 GJAARN Cc1ccc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)c(Cl)c1 ZINC000064839708 207813606 /nfs/dbraw/zinc/81/36/06/207813606.db2.gz NHZRHBMEWNHUCJ-UHFFFAOYSA-N 0 0 376.888 4.786 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccccc3C)CC1)N2 ZINC000064858598 207814809 /nfs/dbraw/zinc/81/48/09/207814809.db2.gz KNOOEUODFFQLDM-UHFFFAOYSA-N 0 0 385.511 4.960 50 0 biogenic GJAARN O=C(NCCC1=CCCCC1)c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1 ZINC000064919523 207818841 /nfs/dbraw/zinc/81/88/41/207818841.db2.gz YPDVDOISDMPBDS-UHFFFAOYSA-N 0 0 390.462 4.694 50 0 GJAARN Cc1cccc(-c2nocc2CCC(=O)NCc2ccccc2Br)c1 ZINC000065213447 207846891 /nfs/dbraw/zinc/84/68/91/207846891.db2.gz YGICHPOHORFQOE-UHFFFAOYSA-N 0 0 399.288 4.662 50 0 GJAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NCc1ccccc1 ZINC000065240934 207850924 /nfs/dbraw/zinc/85/09/24/207850924.db2.gz VKZHVUGRLUQYFH-UHFFFAOYSA-N 0 0 390.512 4.979 50 0 GJAARN CCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000065285119 207858885 /nfs/dbraw/zinc/85/88/85/207858885.db2.gz IXWJBTHIHBRXBZ-CQSZACIVSA-N 0 0 383.883 4.516 50 0 GJAARN Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000065322554 207861938 /nfs/dbraw/zinc/86/19/38/207861938.db2.gz FQLRQYNYTJBGBY-UHFFFAOYSA-N 0 0 385.471 4.587 50 0 GJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000065331227 207864230 /nfs/dbraw/zinc/86/42/30/207864230.db2.gz ZIIHDDYTLRULDM-GOSISDBHSA-N 0 0 381.863 4.787 50 0 GJAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2ccc(NC(=O)C3CCC3)cc2)no1 ZINC000065376285 207866296 /nfs/dbraw/zinc/86/62/96/207866296.db2.gz LMEOQCGGTKPIMH-LJQANCHMSA-N 0 0 381.476 4.514 50 0 GJAARN CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067293199 207886788 /nfs/dbraw/zinc/88/67/88/207886788.db2.gz MTSNKKZFRRCPGJ-BZZOAKBMSA-N 0 0 385.423 4.581 50 0 GJAARN Cc1cccc(N2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)c1 ZINC000067285112 207887445 /nfs/dbraw/zinc/88/74/45/207887445.db2.gz BVSRPQUYRVJGDB-UHFFFAOYSA-N 0 0 397.526 4.648 50 0 GJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(C)c3)oc21 ZINC000067298903 207887455 /nfs/dbraw/zinc/88/74/55/207887455.db2.gz XPZFIDZZTGOKOB-BZZOAKBMSA-N 0 0 388.423 4.505 50 0 GJAARN CCC[C@@H]1CCCN1C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 ZINC000067774421 207906262 /nfs/dbraw/zinc/90/62/62/207906262.db2.gz STOMIZRMTZDVTE-GOSISDBHSA-N 0 0 394.471 4.820 50 0 GJAARN Cc1nc2cccc(C(=O)N3CCC[C@@H](CCc4ccc(F)c(F)c4)C3)c2[nH]1 ZINC000071498363 207942012 /nfs/dbraw/zinc/94/20/12/207942012.db2.gz LHRJKLQWCQDTQV-INIZCTEOSA-N 0 0 383.442 4.635 50 0 GJAARN Cc1ncsc1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071440078 207942114 /nfs/dbraw/zinc/94/21/14/207942114.db2.gz WBRABRSARYXYSS-CQSZACIVSA-N 0 0 382.451 4.955 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2c(F)cc(F)cc2F)C1=O ZINC000070004787 207929766 /nfs/dbraw/zinc/92/97/66/207929766.db2.gz SFIOHRHDCPPLNR-INIZCTEOSA-N 0 0 397.393 4.557 50 0 GJAARN CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071754732 207951988 /nfs/dbraw/zinc/95/19/88/207951988.db2.gz XJDQLIYDFPDMAH-GOSISDBHSA-N 0 0 385.527 4.726 50 0 GJAARN O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000071927883 207962551 /nfs/dbraw/zinc/96/25/51/207962551.db2.gz BSGYSKQYSSKSHK-CYBMUJFWSA-N 0 0 382.451 4.832 50 0 GJAARN CNc1nc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)cs1 ZINC000077554407 208049862 /nfs/dbraw/zinc/04/98/62/208049862.db2.gz ZGKFLWBQDZAQPS-UHFFFAOYSA-N 0 0 394.475 4.711 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(Oc3cccc4[nH]ccc43)nc2)cc1OC ZINC000072406095 208016585 /nfs/dbraw/zinc/01/65/85/208016585.db2.gz ZAEOFBLTSXJSIY-UHFFFAOYSA-N 0 0 389.411 4.625 50 0 GJAARN CC(C)(C)c1ccnc2c1-c1nnnn1C2(Cc1ccccc1)Cc1ccccc1 ZINC000072447033 208027005 /nfs/dbraw/zinc/02/70/05/208027005.db2.gz HHQATINDBMTIDL-UHFFFAOYSA-N 0 0 395.510 4.575 50 0 GJAARN Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072474968 208029770 /nfs/dbraw/zinc/02/97/70/208029770.db2.gz SMMLKKAHBWQMTP-QHCPKHFHSA-N 0 0 395.543 4.520 50 0 GJAARN CC(C)[C@H](CNC(=O)CCc1cccc(OC2CCCC2)c1)c1cccnc1 ZINC000075107339 208035616 /nfs/dbraw/zinc/03/56/16/208035616.db2.gz BMHDKAIIGYXAGF-QHCPKHFHSA-N 0 0 380.532 4.892 50 0 GJAARN Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccc4[nH]ccc4c3)C3CC3)cc2)n1 ZINC000077439416 208043598 /nfs/dbraw/zinc/04/35/98/208043598.db2.gz ZDCAXZKYFRSXLR-UHFFFAOYSA-N 0 0 384.483 4.775 50 0 GJAARN Cc1ccccc1-c1nnc(CNc2c(F)cc(F)cc2Br)o1 ZINC000130698676 208101709 /nfs/dbraw/zinc/10/17/09/208101709.db2.gz UMYRRRLIDOGRNB-UHFFFAOYSA-N 0 0 380.192 4.698 50 0 GJAARN COc1ccc(CN(C)C(=O)CCCSc2ccc(Cl)cc2)cc1O ZINC000079109847 208072155 /nfs/dbraw/zinc/07/21/55/208072155.db2.gz AHNIPIBWPCZAFB-UHFFFAOYSA-N 0 0 379.909 4.585 50 0 GJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1ccc(-n2cccc2)cc1 ZINC000079481530 208074444 /nfs/dbraw/zinc/07/44/44/208074444.db2.gz YBUCVTMZSLEUBN-UHFFFAOYSA-N 0 0 396.406 4.867 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)C12CCCCC2 ZINC000079490101 208075233 /nfs/dbraw/zinc/07/52/33/208075233.db2.gz HZOMXGBUPNABIJ-DYESRHJHSA-N 0 0 391.515 4.761 50 0 GJAARN Cc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1 ZINC000086070071 208103058 /nfs/dbraw/zinc/10/30/58/208103058.db2.gz ZKVFOMNSGFLKBS-UHFFFAOYSA-N 0 0 397.910 4.623 50 0 GJAARN CN(C)c1ccc(NC(=O)c2cc(-c3cccs3)on2)c(C(F)(F)F)c1 ZINC000083854238 208084434 /nfs/dbraw/zinc/08/44/34/208084434.db2.gz DFSWBWOGIVEUHO-UHFFFAOYSA-N 0 0 381.379 4.740 50 0 GJAARN CC(C)c1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cs2)cc1 ZINC000084625198 208092507 /nfs/dbraw/zinc/09/25/07/208092507.db2.gz WMLKAGKZQAJNJJ-UHFFFAOYSA-N 0 0 379.441 4.620 50 0 GJAARN C[C@H](C(=O)Nc1c(F)cccc1F)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089518782 208105518 /nfs/dbraw/zinc/10/55/18/208105518.db2.gz WRSOJGPZQAHZFN-CQSZACIVSA-N 0 0 381.426 4.562 50 0 GJAARN C[C@@H](NCc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000089552987 208106854 /nfs/dbraw/zinc/10/68/54/208106854.db2.gz CBXQXFFFROYLAP-QGZVFWFLSA-N 0 0 378.447 4.522 50 0 GJAARN CNc1nc(C)c(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)s1 ZINC000092046856 208148336 /nfs/dbraw/zinc/14/83/36/208148336.db2.gz LPUCVRBWVPERBE-UHFFFAOYSA-N 0 0 391.540 4.716 50 0 GJAARN C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc3ncsc3c2)C1 ZINC000092081126 208150739 /nfs/dbraw/zinc/15/07/39/208150739.db2.gz GRVDVLMTUSYRRV-JOCHJYFZSA-N 0 0 394.496 4.510 50 0 GJAARN c1ccc2nc(-c3nn4c(nnc4C45CC6CC(CC(C6)C4)C5)s3)ccc2c1 ZINC000095471829 208190225 /nfs/dbraw/zinc/19/02/25/208190225.db2.gz WKJVCDFAIKFJLL-UHFFFAOYSA-N 0 0 387.512 4.869 50 0 GJAARN O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccc(O)cc1)SCC(=O)N2 ZINC000095476989 208192002 /nfs/dbraw/zinc/19/20/02/208192002.db2.gz UKEKMPMDWKDHFN-SFHVURJKSA-N 0 0 387.505 4.592 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc3c4c(cccc42)CC3)C1 ZINC000095482146 208194456 /nfs/dbraw/zinc/19/44/56/208194456.db2.gz SDFZGNDXFZHOAE-INIZCTEOSA-N 0 0 390.870 4.583 50 0 GJAARN O=C(Nc1ccc(OCC2CC2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000095959331 208243695 /nfs/dbraw/zinc/24/36/95/208243695.db2.gz QJWTXSQJXIPVSL-HXUWFJFHSA-N 0 0 394.471 4.616 50 0 GJAARN COc1cc(C(=O)Nc2cc(Cl)ccn2)cc(OC)c1OCc1ccccc1 ZINC000095959730 208244215 /nfs/dbraw/zinc/24/42/15/208244215.db2.gz QRKGJGIMLNRAKX-UHFFFAOYSA-N 0 0 398.846 4.584 50 0 GJAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095958247 208244317 /nfs/dbraw/zinc/24/43/17/208244317.db2.gz LDBAQJREMNCCAP-YLJYHZDGSA-N 0 0 396.531 4.534 50 0 GJAARN O=C(c1n[nH]c2c1CCCC2)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095520358 208220383 /nfs/dbraw/zinc/22/03/83/208220383.db2.gz PBJZDSUKKQGUNF-UHFFFAOYSA-N 0 0 385.511 4.511 50 0 GJAARN CN(Cc1cc(C2CC2)on1)C(=O)Nc1ccc(OCc2cccs2)cc1 ZINC000096140159 208271915 /nfs/dbraw/zinc/27/19/15/208271915.db2.gz UNRLHWSINBLJIB-UHFFFAOYSA-N 0 0 383.473 4.856 50 0 GJAARN CCCCN(Cc1cccnc1)C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 ZINC000096140981 208272509 /nfs/dbraw/zinc/27/25/09/208272509.db2.gz MKWPZKJXJBKHLQ-UHFFFAOYSA-N 0 0 377.492 4.718 50 0 GJAARN CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000095962889 208245806 /nfs/dbraw/zinc/24/58/06/208245806.db2.gz PPPDCWQGKBWRSE-UHFFFAOYSA-N 0 0 393.418 4.638 50 0 GJAARN CCOc1ccccc1-c1csc(NC(=O)c2cc(OC)c(OC)cc2C)n1 ZINC000095964742 208246292 /nfs/dbraw/zinc/24/62/92/208246292.db2.gz BFMNOLQPUFYFRA-UHFFFAOYSA-N 0 0 398.484 4.787 50 0 GJAARN Cc1sc(NC(=O)c2nc(C)ncc2Cl)nc1-c1c(F)cc(F)cc1F ZINC000095961434 208246432 /nfs/dbraw/zinc/24/64/32/208246432.db2.gz 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Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)CC2CCCCC2)no1 ZINC000096349728 208310967 /nfs/dbraw/zinc/31/09/67/208310967.db2.gz RQXAECRQHZJPPF-UHFFFAOYSA-N 0 0 394.519 4.806 50 0 GJAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N[C@@H](C)c1ccccn1 ZINC000096386177 208311673 /nfs/dbraw/zinc/31/16/73/208311673.db2.gz CEDDTYBMSQAJEL-IBGZPJMESA-N 0 0 396.494 4.793 50 0 GJAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCc1cccs1 ZINC000096386180 208311938 /nfs/dbraw/zinc/31/19/38/208311938.db2.gz GTRZHFBHCUMGLJ-UHFFFAOYSA-N 0 0 387.508 4.898 50 0 GJAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)N[C@H](C)c1cccnc1 ZINC000096386176 208312609 /nfs/dbraw/zinc/31/26/09/208312609.db2.gz VTMWXWDDCVRZDK-LJQANCHMSA-N 0 0 396.494 4.793 50 0 GJAARN Cc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000096276065 208300685 /nfs/dbraw/zinc/30/06/85/208300685.db2.gz WUUCWXPECRGWMF-GFCCVEGCSA-N 0 0 375.350 4.555 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000096999267 208332787 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O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1COc2ccccc2O1 ZINC000006272166 208678082 /nfs/dbraw/zinc/67/80/82/208678082.db2.gz FGLSWSRHLGHPPH-CQSZACIVSA-N 0 0 391.267 4.503 50 0 GJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)n2C(C)C)cc1 ZINC000006633955 208682531 /nfs/dbraw/zinc/68/25/31/208682531.db2.gz UCNSVEGTMRENMQ-HNNXBMFYSA-N 0 0 381.501 4.898 50 0 GJAARN CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000006886523 208683946 /nfs/dbraw/zinc/68/39/46/208683946.db2.gz ORQNZIYIDJJOFE-UHFFFAOYSA-N 0 0 386.498 4.872 50 0 GJAARN O=C(Cc1cccc2ccccc21)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000006864951 208684978 /nfs/dbraw/zinc/68/49/78/208684978.db2.gz HPOKNSFUBHUORQ-UHFFFAOYSA-N 0 0 383.451 4.950 50 0 GJAARN CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)cc1 ZINC000005487470 208670749 /nfs/dbraw/zinc/67/07/49/208670749.db2.gz ANKOPGZEAADFNJ-QGZVFWFLSA-N 0 0 399.487 4.838 50 0 GJAARN CCCCNC(=S)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000007345548 208688236 /nfs/dbraw/zinc/68/82/36/208688236.db2.gz 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/nfs/dbraw/zinc/75/16/38/208751638.db2.gz RKPTYZJSRVEEQS-UHFFFAOYSA-N 0 0 399.878 4.603 50 0 GJAARN O=C(Nc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1)c1cccs1 ZINC000012865674 208776684 /nfs/dbraw/zinc/77/66/84/208776684.db2.gz SEXCBJAXGSQYJQ-UHFFFAOYSA-N 0 0 388.395 4.854 50 0 GJAARN O=C(Nc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1)c1ccccc1 ZINC000012903331 208778385 /nfs/dbraw/zinc/77/83/85/208778385.db2.gz ZBEPBSPOGOWYNL-UHFFFAOYSA-N 0 0 390.405 4.790 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)n2)cc1C ZINC000011808892 208766840 /nfs/dbraw/zinc/76/68/40/208766840.db2.gz ACSTXXFZFPIYLF-MRXNPFEDSA-N 0 0 393.512 4.574 50 0 GJAARN C[C@@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000011990630 208767572 /nfs/dbraw/zinc/76/75/72/208767572.db2.gz LKJRWXHLUGUPIC-ZDUSSCGKSA-N 0 0 378.428 4.708 50 0 GJAARN COC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000014675181 208791034 /nfs/dbraw/zinc/79/10/34/208791034.db2.gz HVOLYJFTLLIPND-ZDUSSCGKSA-N 0 0 376.474 4.717 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000015828218 208795335 /nfs/dbraw/zinc/79/53/35/208795335.db2.gz WIACTIFEWUMXKE-QGZVFWFLSA-N 0 0 395.377 4.580 50 0 GJAARN CN(C(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12)c1ccccc1 ZINC000016838847 208798789 /nfs/dbraw/zinc/79/87/89/208798789.db2.gz UGTPHXIBJKKNNJ-UHFFFAOYSA-N 0 0 381.888 4.922 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219141549 208842921 /nfs/dbraw/zinc/84/29/21/208842921.db2.gz BNLDDKWOPNELOI-SFHVURJKSA-N 0 0 378.900 4.869 50 0 GJAARN COc1ccccc1CCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000055785435 208844554 /nfs/dbraw/zinc/84/45/54/208844554.db2.gz ATQBLDFBERCDHO-GOSISDBHSA-N 0 0 388.305 4.754 50 0 GJAARN Brc1ccc2c(ccn2-c2ccc(I)cc2)c1 ZINC000000988321 220472914 /nfs/dbraw/zinc/47/29/14/220472914.db2.gz CTWITTGNHBFMKY-UHFFFAOYSA-N 0 0 398.041 4.998 50 0 GJAARN CC(C)(C)c1ccc(OC[C@H](O)CNc2ccc(Br)cc2)cc1 ZINC000001059969 220474810 /nfs/dbraw/zinc/47/48/10/220474810.db2.gz GTNDEBJWPUSYOK-QGZVFWFLSA-N 0 0 378.310 4.598 50 0 GJAARN CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@@H](c1ccco1)c1ccccc1 ZINC000220059700 208858598 /nfs/dbraw/zinc/85/85/98/208858598.db2.gz VQTDICQQHMZMHE-HXUWFJFHSA-N 0 0 387.439 4.510 50 0 GJAARN CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000002126281 220505590 /nfs/dbraw/zinc/50/55/90/220505590.db2.gz MCTDXPDDZLFJHR-SODVOOIJSA-N 0 0 382.500 4.941 50 0 GJAARN CCOC(=O)C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C ZINC000002183186 220507128 /nfs/dbraw/zinc/50/71/28/220507128.db2.gz XYAYKDXUNTYDTC-JOCHJYFZSA-N 0 0 385.891 4.724 50 0 GJAARN CCC[C@H]1Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 ZINC000002240517 220513564 /nfs/dbraw/zinc/51/35/64/220513564.db2.gz NNUPDFKXBAAAEI-ZDUSSCGKSA-N 0 0 389.521 4.946 50 0 GJAARN CCOC(=O)C(=O)N1c2cc(C)c(C)cc2-c2c(=S)ssc2C1(C)C ZINC000002266685 220514705 /nfs/dbraw/zinc/51/47/05/220514705.db2.gz XVNLUXPKYFEZEV-UHFFFAOYSA-N 0 0 393.555 4.968 50 0 GJAARN CC[C@](C)(C(=O)Nc1c(C)cccc1C)N(C)C(=O)c1ccc2ccccc2n1 ZINC000002259812 220515752 /nfs/dbraw/zinc/51/57/52/220515752.db2.gz PFMPLDKGEVISQW-XMMPIXPASA-N 0 0 389.499 4.731 50 0 GJAARN CC1(C)Cc2c(sc3nc(SCC=C(Cl)Cl)nc(N)c23)CO1 ZINC000002299682 220520761 /nfs/dbraw/zinc/52/07/61/220520761.db2.gz YUCKOIFUBNWLDC-UHFFFAOYSA-N 0 0 376.334 4.536 50 0 GJAARN O=C(NC[C@@H]1CCCO1)c1cc(Sc2ccccc2Cl)nc2ccccc21 ZINC000002456212 220535224 /nfs/dbraw/zinc/53/52/24/220535224.db2.gz UAYUNUDYQWDGCG-AWEZNQCLSA-N 0 0 398.915 4.948 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2cccs2)n2cnc(-c3cccs3)cc12 ZINC000002529477 220541075 /nfs/dbraw/zinc/54/10/75/220541075.db2.gz WSCORRZFSJAAIB-UHFFFAOYSA-N 0 0 382.466 4.532 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1OC ZINC000002658169 220549680 /nfs/dbraw/zinc/54/96/80/220549680.db2.gz NHNCXLMWAHNQDU-UHFFFAOYSA-N 0 0 393.468 4.665 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 ZINC000225737963 208971919 /nfs/dbraw/zinc/97/19/19/208971919.db2.gz LLOIASADDIGDDY-QGZVFWFLSA-N 0 0 386.373 4.547 50 0 GJAARN CCOc1ccc(NC(=S)N2CCS[C@@H]2c2c(F)cc(F)cc2F)cc1 ZINC000002727702 220558753 /nfs/dbraw/zinc/55/87/53/220558753.db2.gz FSJYBWNDZYAYJQ-QGZVFWFLSA-N 0 0 398.475 4.947 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000032936644 208990770 /nfs/dbraw/zinc/99/07/70/208990770.db2.gz IJDBDGOBBFCPNZ-DYESRHJHSA-N 0 0 379.431 4.530 50 0 GJAARN Cc1ccc(-n2ccnc2SCC(=O)NC[C@H](C)c2ccccc2)c(C)c1 ZINC000032957395 208992603 /nfs/dbraw/zinc/99/26/03/208992603.db2.gz DJEKWTZGIUEUJI-SFHVURJKSA-N 0 0 379.529 4.501 50 0 GJAARN C[C@H](NC(=O)c1ccc(F)cc1Br)c1cccc(OC(F)F)c1 ZINC000032931090 208993579 /nfs/dbraw/zinc/99/35/79/208993579.db2.gz GUHLVYVBOLUYEO-VIFPVBQESA-N 0 0 388.183 4.681 50 0 GJAARN CCCCC(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000002830812 220572130 /nfs/dbraw/zinc/57/21/30/220572130.db2.gz JDOACBKTTKGJAU-UHFFFAOYSA-N 0 0 375.266 4.830 50 0 GJAARN O=C(C[C@H]1Nc2cccc3cccc(c32)NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002889952 220581680 /nfs/dbraw/zinc/58/16/80/220581680.db2.gz 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220631051 /nfs/dbraw/zinc/63/10/51/220631051.db2.gz LUYZSVCFJJHELK-AWEZNQCLSA-N 0 0 396.535 4.590 50 0 GJAARN CC(C)c1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000003262597 220618038 /nfs/dbraw/zinc/61/80/38/220618038.db2.gz DQIDKPNVGOPPNQ-UHFFFAOYSA-N 0 0 379.378 4.553 50 0 GJAARN COc1ccc2c(CC(=O)Nc3ccc(Br)cc3F)coc2c1 ZINC000003611559 220659800 /nfs/dbraw/zinc/65/98/00/220659800.db2.gz GKOBPCDMWVIAEF-UHFFFAOYSA-N 0 0 378.197 4.524 50 0 GJAARN Cc1ccc(-c2nc3ncccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000004033776 220673975 /nfs/dbraw/zinc/67/39/75/220673975.db2.gz IOGNXILIBGZZGM-UHFFFAOYSA-N 0 0 396.372 4.976 50 0 GJAARN Cc1nc2ccccc2c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n1 ZINC000004240026 220696487 /nfs/dbraw/zinc/69/64/87/220696487.db2.gz OVUWHNXCQUVJST-SECBINFHSA-N 0 0 393.299 4.759 50 0 GJAARN Cc1ccc(S(=O)(=O)Oc2c3c(ccc2C)[C@H]2c4ccccc4C[C@H]2N3)cc1 ZINC000004114309 220682783 /nfs/dbraw/zinc/68/27/83/220682783.db2.gz DLDDWBXKFOARQU-NHCUHLMSSA-N 0 0 391.492 4.553 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 ZINC000004120434 220683853 /nfs/dbraw/zinc/68/38/53/220683853.db2.gz XJVNPKUJTSGOLL-UHFFFAOYSA-N 0 0 382.382 4.590 50 0 GJAARN O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2)on1 ZINC000004196364 220692660 /nfs/dbraw/zinc/69/26/60/220692660.db2.gz ZXZHRUWUFGKUIT-UHFFFAOYSA-N 0 0 388.471 4.716 50 0 aggregator GJAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)cc1 ZINC000004372231 220713217 /nfs/dbraw/zinc/71/32/17/220713217.db2.gz GQUWLLVTOFJESL-UHFFFAOYSA-N 0 0 381.501 4.510 50 0 GJAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3c(C)oc4ccc(O)cc43)cc21 ZINC000004387789 220713962 /nfs/dbraw/zinc/71/39/62/220713962.db2.gz XDJFUAXGJFMHPN-UHFFFAOYSA-N 0 0 380.352 4.507 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1OC ZINC000004281939 220701127 /nfs/dbraw/zinc/70/11/27/220701127.db2.gz XBDHREMDDJXHEO-HYBUGGRVSA-N 0 0 386.451 4.946 50 0 GJAARN O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)c1ccc(Cl)cc1 ZINC000004356642 220710290 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Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccnc2Cl)c2ccccc2)c1 ZINC000005020804 220812704 /nfs/dbraw/zinc/81/27/04/220812704.db2.gz RGZJAUUZBLVJQH-IBGZPJMESA-N 0 0 394.858 4.889 50 0 GJAARN Cc1ccsc1-c1nc(CSCC(=O)NCc2ccc(C)cc2)c(C)o1 ZINC000005057713 220821941 /nfs/dbraw/zinc/82/19/41/220821941.db2.gz YYXKDIZNBJVCKP-UHFFFAOYSA-N 0 0 386.542 4.878 50 0 GJAARN O=c1[nH]c(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc12 ZINC000005174346 220840320 /nfs/dbraw/zinc/84/03/20/220840320.db2.gz MUMFRYJNUDKNDV-UHFFFAOYSA-N 0 0 388.267 4.540 50 0 GJAARN CCn1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000005265955 220852899 /nfs/dbraw/zinc/85/28/99/220852899.db2.gz MMCUDWKVFUTYIE-UHFFFAOYSA-N 0 0 382.895 4.669 50 0 GJAARN CC1CCC(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000005219881 220845973 /nfs/dbraw/zinc/84/59/73/220845973.db2.gz ILUHVCVOSNGYRO-UHFFFAOYSA-N 0 0 387.549 4.821 50 0 GJAARN Cc1ccc(C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)cc1 ZINC000005396448 220864437 /nfs/dbraw/zinc/86/44/37/220864437.db2.gz 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Cc1ccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)cc1 ZINC000006738891 220955874 /nfs/dbraw/zinc/95/58/74/220955874.db2.gz UYRBJKVFLYBENR-UHFFFAOYSA-N 0 0 379.467 4.908 50 0 GJAARN Cc1nc(-c2cccc(C(=O)N(CCCO)Cc3cccs3)c2)sc1C ZINC000299783890 209089557 /nfs/dbraw/zinc/08/95/57/209089557.db2.gz VIXXWDQHNNBOHP-UHFFFAOYSA-N 0 0 386.542 4.513 50 0 GJAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1nc(-c2ccc(C)cc2)ccc1=O ZINC000006767277 220960301 /nfs/dbraw/zinc/96/03/01/220960301.db2.gz CVATUICLJJYBHG-HXUWFJFHSA-N 0 0 395.890 4.770 50 0 GJAARN CC(C)CC(=O)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000006872442 220973354 /nfs/dbraw/zinc/97/33/54/220973354.db2.gz NLBWOOXRXZUHNS-LJQANCHMSA-N 0 0 386.442 4.533 50 0 GJAARN O=C(O/C(=C\c1nccn1C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006909237 220977395 /nfs/dbraw/zinc/97/73/95/220977395.db2.gz BDUZHTRZURSZCC-PYCFMQQDSA-N 0 0 394.430 4.927 50 0 GJAARN CCn1nc(C)c(-c2cccc(C(=O)N[C@@H](C)c3ccc(O)c(F)c3)c2)c1C ZINC000299783154 209088546 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COc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccccc1 ZINC000032951298 221756414 /nfs/dbraw/zinc/75/64/14/221756414.db2.gz PEXLKWDFNKRGMO-UHFFFAOYSA-N 0 0 386.455 4.534 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)c2c1C ZINC000032960213 221757644 /nfs/dbraw/zinc/75/76/44/221757644.db2.gz PUUXJTRWEVTOKM-OAHLLOKOSA-N 0 0 398.894 4.657 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)c2c1C ZINC000032960134 221758293 /nfs/dbraw/zinc/75/82/93/221758293.db2.gz PTPOXHZMQMFQQD-UHFFFAOYSA-N 0 0 392.503 4.620 50 0 GJAARN CCc1ccccc1N1C(=O)c2ccccc2CC[C@@]1(C)C(=O)NCCC(C)C ZINC000032977909 221759298 /nfs/dbraw/zinc/75/92/98/221759298.db2.gz GMXPRHQHKRAOLN-VWLOTQADSA-N 0 0 392.543 4.763 50 0 GJAARN O=C(Cn1ccc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000032988036 221760520 /nfs/dbraw/zinc/76/05/20/221760520.db2.gz KQFMUZXQRMVVHT-UHFFFAOYSA-N 0 0 395.768 4.986 50 0 GJAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984038 221760859 /nfs/dbraw/zinc/76/08/59/221760859.db2.gz SNWUUOJBAXHXAX-JCMHNJIXSA-N 0 0 390.483 4.901 50 0 GJAARN CCN(CC)c1ncc(C(=O)Nc2cc(Cl)ccc2OC)c2ccccc21 ZINC000033073320 221770947 /nfs/dbraw/zinc/77/09/47/221770947.db2.gz FXFGXJHVFMVEFT-UHFFFAOYSA-N 0 0 383.879 4.995 50 0 GJAARN CCc1ccccc1NC(=O)NCCc1nc2cccnc2n1C1CCCCC1 ZINC000033263709 221780135 /nfs/dbraw/zinc/78/01/35/221780135.db2.gz VZTSPADSRKHJDO-UHFFFAOYSA-N 0 0 391.519 4.863 50 0 GJAARN Cc1cccc(Sc2nccnc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000033289033 221784951 /nfs/dbraw/zinc/78/49/51/221784951.db2.gz YHPZSIUAMHFIKC-UHFFFAOYSA-N 0 0 385.489 4.806 50 0 GJAARN CC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)c2ccccc2)c1 ZINC000034921574 221809574 /nfs/dbraw/zinc/80/95/74/221809574.db2.gz XLNBJHZWLVKLCB-QGZVFWFLSA-N 0 0 395.547 4.847 50 0 GJAARN CCc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000035430011 221821729 /nfs/dbraw/zinc/82/17/29/221821729.db2.gz XOVOJQLLOAKZTJ-UHFFFAOYSA-N 0 0 382.467 4.866 50 0 GJAARN C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccccc2F)C1=O ZINC000035884539 221835091 /nfs/dbraw/zinc/83/50/91/221835091.db2.gz MNHDMTAFHOUJNG-HNNXBMFYSA-N 0 0 398.478 4.510 50 0 GJAARN CC[C@@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)CC(C)C ZINC000036105753 221842633 /nfs/dbraw/zinc/84/26/33/221842633.db2.gz CUNHSTLGZROLSI-MRXNPFEDSA-N 0 0 390.549 4.904 50 0 GJAARN COc1ccccc1CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036246510 221848257 /nfs/dbraw/zinc/84/82/57/221848257.db2.gz QFBGGSWCWYXXFE-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000036248036 221848318 /nfs/dbraw/zinc/84/83/18/221848318.db2.gz GDULGHKDNLETFE-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN CC[C@H](C)N(Cc1c(-c2ccc(C)cc2)noc1N1CCCC1)C(=O)C1CC1 ZINC000036249058 221848360 /nfs/dbraw/zinc/84/83/60/221848360.db2.gz UAXLTFLKTKRPAG-KRWDZBQOSA-N 0 0 381.520 4.787 50 0 GJAARN COc1ccccc1CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(F)c1 ZINC000036248514 221848416 /nfs/dbraw/zinc/84/84/16/221848416.db2.gz FECQCAQQWTWPPB-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN O=C(c1cccc(F)c1)N1CCC[C@@H](OCc2cccc(OC(F)(F)F)c2)C1 ZINC000036315450 221850009 /nfs/dbraw/zinc/85/00/09/221850009.db2.gz ZWOXZYJMAVYBKR-GOSISDBHSA-N 0 0 397.368 4.546 50 0 GJAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1c1ccccc1 ZINC000036360280 221855416 /nfs/dbraw/zinc/85/54/16/221855416.db2.gz MVGPDFOCUGGZGI-GOTSBHOMSA-N 0 0 395.462 4.717 50 0 GJAARN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(F)F ZINC000036611395 221859499 /nfs/dbraw/zinc/85/94/99/221859499.db2.gz LHBTZVMZZXLJLI-UHFFFAOYSA-N 0 0 392.427 4.531 50 0 GJAARN COc1cc(CSc2nc3sc(C)c(C)c3c(N)n2)ccc1OC(F)F ZINC000036820581 221868450 /nfs/dbraw/zinc/86/84/50/221868450.db2.gz OSBMQDNWRKKMCL-UHFFFAOYSA-N 0 0 397.472 4.793 50 0 GJAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C)C(=O)N3CCCC3)c2cc1C ZINC000037397132 221869675 /nfs/dbraw/zinc/86/96/75/221869675.db2.gz YCKTZWMFRUYEJJ-QGZVFWFLSA-N 0 0 379.479 4.566 50 0 GJAARN C[C@H]1C(=O)N(c2ccc(-c3ccccc3)cc2)CCN1Cc1ccc(F)cc1F ZINC000037521746 221871124 /nfs/dbraw/zinc/87/11/24/221871124.db2.gz GDLYKGAWJCKWKE-KRWDZBQOSA-N 0 0 392.449 4.869 50 0 GJAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccc(OCc2ccncc2)cc1 ZINC000040059732 221900867 /nfs/dbraw/zinc/90/08/67/221900867.db2.gz VTEDUQXGZZYNPV-UHFFFAOYSA-N 0 0 388.345 4.812 50 0 GJAARN Cc1nc(C)c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)s1 ZINC000055762347 222024808 /nfs/dbraw/zinc/02/48/08/222024808.db2.gz MSHPNQRDYJAMEP-UHFFFAOYSA-N 0 0 399.343 4.545 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1c(F)cccc1Cl)CO2 ZINC000057105484 222028778 /nfs/dbraw/zinc/02/87/78/222028778.db2.gz MRBCGHJIDCGWPO-UHFFFAOYSA-N 0 0 399.849 4.735 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2CN2c3cccc4cccc(c34)C2=O)c1 ZINC000057406587 222031801 /nfs/dbraw/zinc/03/18/01/222031801.db2.gz KRKYIIDGIGPGNW-HXUWFJFHSA-N 0 0 388.467 4.612 50 0 GJAARN CCn1cc(-c2nc(-c3ccc(SC)cc3)no2)c(=O)c2cc(C)ccc21 ZINC000057354793 222032498 /nfs/dbraw/zinc/03/24/98/222032498.db2.gz XVPMBYFEQFSWBC-UHFFFAOYSA-N 0 0 377.469 4.769 50 0 GJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000057412644 222032571 /nfs/dbraw/zinc/03/25/71/222032571.db2.gz RZDNBADHITZMQN-UHFFFAOYSA-N 0 0 381.741 4.881 50 0 GJAARN Cc1[nH]c(=S)sc1CC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000045399027 221963223 /nfs/dbraw/zinc/96/32/23/221963223.db2.gz QAUSIPIINUQMJN-UHFFFAOYSA-N 0 0 397.363 4.610 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)no2)cc1OC ZINC000046086826 221971474 /nfs/dbraw/zinc/97/14/74/221971474.db2.gz SPXLRNYLBZROHW-UHFFFAOYSA-N 0 0 393.226 4.918 50 0 GJAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)c(C)c1 ZINC000049004479 221993670 /nfs/dbraw/zinc/99/36/70/221993670.db2.gz SDUVOZTWWGNVFI-UHFFFAOYSA-N 0 0 386.249 4.539 50 0 GJAARN O=C1C[C@H](c2cccc(Br)c2)c2cnn(Cc3ccccc3)c2N1 ZINC000049547155 222001150 /nfs/dbraw/zinc/00/11/50/222001150.db2.gz DOXCGMXAGGYEFM-MRXNPFEDSA-N 0 0 382.261 4.818 50 0 GJAARN Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000050382061 222002874 /nfs/dbraw/zinc/00/28/74/222002874.db2.gz TVIVUXFCZWEVCF-UHFFFAOYSA-N 0 0 378.472 4.996 50 0 GJAARN O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1Cl ZINC000051356093 222004379 /nfs/dbraw/zinc/00/43/79/222004379.db2.gz ZMBDLUIRORNUIM-UHFFFAOYSA-N 0 0 376.598 4.581 50 0 GJAARN COc1ccc2[nH]cc(C3=CCN(CC(=O)Nc4ccccc4Cl)CC3)c2c1 ZINC000053055549 222008155 /nfs/dbraw/zinc/00/81/55/222008155.db2.gz SXWDISJBLPYSGY-UHFFFAOYSA-N 0 0 395.890 4.558 50 0 GJAARN COc1ccc(-c2csc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000054979064 222014852 /nfs/dbraw/zinc/01/48/52/222014852.db2.gz CHAODOXDIRNDOZ-VMPITWQZSA-N 0 0 391.540 4.654 50 0 GJAARN CC[C@H](C)N(Cc1ccccn1)C(=O)c1cccc(NCc2cccnc2)c1C ZINC000055154767 222015709 /nfs/dbraw/zinc/01/57/09/222015709.db2.gz JHGKMXXHGCMHOD-SFHVURJKSA-N 0 0 388.515 4.838 50 0 GJAARN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055253225 222017684 /nfs/dbraw/zinc/01/76/84/222017684.db2.gz SQHQGXUBNHZFHN-IBGZPJMESA-N 0 0 391.540 4.917 50 0 GJAARN C[C@H](CNC(=O)c1cnn2c1nccc2-c1ccc(Cl)cc1)c1ccccc1 ZINC000065026731 222094525 /nfs/dbraw/zinc/09/45/25/222094525.db2.gz BBFXVKVPXDVGDT-OAHLLOKOSA-N 0 0 390.874 4.583 50 0 GJAARN Cc1ccc(CNC(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCC2)cc1C ZINC000065029574 222094817 /nfs/dbraw/zinc/09/48/17/222094817.db2.gz JNSRNCDHONYVNS-UHFFFAOYSA-N 0 0 378.516 4.636 50 0 GJAARN CCOc1ccc(CNC(=O)C2(c3ccc(NC(C)=O)cc3)CCCCC2)cc1 ZINC000065027463 222095030 /nfs/dbraw/zinc/09/50/30/222095030.db2.gz DUICCYFYLCSKSV-UHFFFAOYSA-N 0 0 394.515 4.562 50 0 GJAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000065102772 222100309 /nfs/dbraw/zinc/10/03/09/222100309.db2.gz CHUXSMFEBXAQBS-UHFFFAOYSA-N 0 0 379.485 4.925 50 0 GJAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000065135372 222101679 /nfs/dbraw/zinc/10/16/79/222101679.db2.gz UDSHZIGXVRJAEH-LJQANCHMSA-N 0 0 375.447 4.611 50 0 GJAARN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccc(C)c(F)c4)C3)n2)c1 ZINC000065135390 222101770 /nfs/dbraw/zinc/10/17/70/222101770.db2.gz XJUAUDNCAPZZCI-HXUWFJFHSA-N 0 0 389.474 4.919 50 0 GJAARN O=C(c1ccc(Cl)s1)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135281 222102288 /nfs/dbraw/zinc/10/22/88/222102288.db2.gz GTSDRCVZONFGOR-OAHLLOKOSA-N 0 0 383.904 4.878 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2ccc(F)cc2)n1 ZINC000065114629 222102305 /nfs/dbraw/zinc/10/23/05/222102305.db2.gz NRKVKPOJUGLQOZ-UHFFFAOYSA-N 0 0 378.451 4.693 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCC1CCCCC1 ZINC000065136426 222103676 /nfs/dbraw/zinc/10/36/76/222103676.db2.gz IJRJSKNJAPXALO-GOSISDBHSA-N 0 0 389.515 4.546 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168565 222105208 /nfs/dbraw/zinc/10/52/08/222105208.db2.gz HVCTXOZPBKMUDY-UHFFFAOYSA-N 0 0 398.293 4.578 50 0 GJAARN CCn1c2ncccc2nc1-c1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000065172685 222105478 /nfs/dbraw/zinc/10/54/78/222105478.db2.gz PVEJSKPKENZMNM-UHFFFAOYSA-N 0 0 384.439 4.573 50 0 GJAARN CC(C)Cn1c2ncccc2nc1-c1cccc(C(=O)N[C@H](C)c2cccnc2)c1 ZINC000065172766 222106417 /nfs/dbraw/zinc/10/64/17/222106417.db2.gz JCQXXCUANXGXMD-QGZVFWFLSA-N 0 0 399.498 4.640 50 0 GJAARN COc1ccc(C)cc1NCCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000058022979 222037286 /nfs/dbraw/zinc/03/72/86/222037286.db2.gz VXDIHZPROOHWRT-QFIPXVFZSA-N 0 0 398.503 4.912 50 0 GJAARN Cc1ccc(NC(=S)N2CCCN(Cc3ccc(F)cc3)C2)cc1Cl ZINC000058096388 222039891 /nfs/dbraw/zinc/03/98/91/222039891.db2.gz WCTSYAMCBBSCMD-UHFFFAOYSA-N 0 0 377.916 4.650 50 0 GJAARN CC(C)CCO[C@@H](C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000058049867 222040047 /nfs/dbraw/zinc/04/00/47/222040047.db2.gz IEDDGRJVKCHFRI-IBGZPJMESA-N 0 0 391.515 4.607 50 0 GJAARN CCC(CC)N(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C)c(C)c1 ZINC000058145622 222040682 /nfs/dbraw/zinc/04/06/82/222040682.db2.gz BYEUXGOTKHTESD-UHFFFAOYSA-N 0 0 387.545 4.683 50 0 GJAARN CCc1cccc2c1N(C(=O)CCc1ncc(-c3c(F)cccc3F)o1)CC2 ZINC000058145852 222041112 /nfs/dbraw/zinc/04/11/12/222041112.db2.gz YIFBLBLOJDTTNN-UHFFFAOYSA-N 0 0 382.410 4.704 50 0 GJAARN 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ZINC000096003911 222368681 /nfs/dbraw/zinc/36/86/81/222368681.db2.gz VVFOHUNWAORSNM-NRFANRHFSA-N 0 0 375.468 4.547 50 0 GJAARN CC[C@H](C)N(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)[C@@H](C)CC ZINC000095997613 222369247 /nfs/dbraw/zinc/36/92/47/222369247.db2.gz ZIMFJLJVHHJFTQ-IRXDYDNUSA-N 0 0 391.515 4.733 50 0 GJAARN CC[C@@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096096180 222378630 /nfs/dbraw/zinc/37/86/30/222378630.db2.gz UVUMONZWCGNHMU-LGHUBQEGSA-N 0 0 375.472 4.620 50 0 GJAARN Cc1cccc(-c2noc(CCN(C(=O)/C=C/c3ccccc3)C(C)C)n2)c1 ZINC000096096161 222378948 /nfs/dbraw/zinc/37/89/48/222378948.db2.gz NGBPTWHVDFRDQN-OUKQBFOZSA-N 0 0 375.472 4.538 50 0 GJAARN CCSc1ccccc1C(=O)Nc1ccccc1Cc1nc(C2CC2)no1 ZINC000096119597 222384452 /nfs/dbraw/zinc/38/44/52/222384452.db2.gz MWHKBYMYPSNISK-UHFFFAOYSA-N 0 0 379.485 4.902 50 0 GJAARN CC(C)(C)c1ccccc1NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096523213 222422123 /nfs/dbraw/zinc/42/21/23/222422123.db2.gz RSGFFCOCTWBMBW-YPKPFQOOSA-N 0 0 390.527 4.875 50 0 GJAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)NC1(c2ccccc2Cl)CC1 ZINC000096136148 222386617 /nfs/dbraw/zinc/38/66/17/222386617.db2.gz RXWMJKMXFGJVAC-KRWDZBQOSA-N 0 0 386.879 4.709 50 0 GJAARN Brc1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)o1 ZINC000096193979 222396329 /nfs/dbraw/zinc/39/63/29/222396329.db2.gz FCTGPOMURFVVQC-UHFFFAOYSA-N 0 0 387.218 4.622 50 0 GJAARN Cc1nnc(SCc2cccc(C(=O)NCC(C)C)c2)n1-c1ccccc1C ZINC000096288483 222408507 /nfs/dbraw/zinc/40/85/07/222408507.db2.gz SMNAUVICLMJRJT-UHFFFAOYSA-N 0 0 394.544 4.562 50 0 GJAARN O=C(CCc1conc1-c1ccccc1F)N1CCC(Cc2ccccc2)CC1 ZINC000096386707 222417231 /nfs/dbraw/zinc/41/72/31/222417231.db2.gz XEHRATDMZDUJMF-UHFFFAOYSA-N 0 0 392.474 4.895 50 0 GJAARN O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)NC1CCCCCC1 ZINC000096387110 222417947 /nfs/dbraw/zinc/41/79/47/222417947.db2.gz UGAAGCYJTMSXSI-IBGZPJMESA-N 0 0 397.906 4.666 50 0 GJAARN COc1ccc(C(C)(C)C)cc1NC(=O)/C=C\c1cc(F)cc2c1OCOC2 ZINC000096925595 222430976 /nfs/dbraw/zinc/43/09/76/222430976.db2.gz 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ZINC000409414241 533912054 /nfs/dbraw/zinc/91/20/54/533912054.db2.gz JIWFYYHZQTWXTN-FQEVSTJZSA-N 0 0 387.483 4.715 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000006879843 518154899 /nfs/dbraw/zinc/15/48/99/518154899.db2.gz PJTNMVNUSZAPFG-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000011769338 518186812 /nfs/dbraw/zinc/18/68/12/518186812.db2.gz KSKKXEZBGKWGBA-HSZRJFAPSA-N 0 0 398.510 4.707 50 0 GJAARN COC(=O)c1ccc(Cl)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1 ZINC000024750553 522059992 /nfs/dbraw/zinc/05/99/92/522059992.db2.gz IRGVMEBGCYSRCS-UHFFFAOYSA-N 0 0 386.860 4.811 50 0 GJAARN Clc1cccc([C@@H]2CC(c3ccc(Cl)cc3Cl)=Nc3nnnn32)c1 ZINC000101078574 534646578 /nfs/dbraw/zinc/64/65/78/534646578.db2.gz YUMYKLTUPYBVFG-HNNXBMFYSA-N 0 0 378.650 4.689 50 0 GJAARN O=C(c1ccc(-c2ccc3ncccc3c2)cc1)N1CCCC2(CCOCC2)C1 ZINC000426518003 534680087 /nfs/dbraw/zinc/68/00/87/534680087.db2.gz XNGZWJWKEVVJMO-UHFFFAOYSA-N 0 0 386.495 4.935 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000000759409 526325138 /nfs/dbraw/zinc/32/51/38/526325138.db2.gz KYGMHZZALQJNHW-UHFFFAOYSA-N 0 0 388.486 4.697 50 0 GJAARN CC(=O)Nc1cc(NC(=O)N(Cc2ccccn2)C2CCCCC2)ccc1F ZINC000426372364 526920179 /nfs/dbraw/zinc/92/01/79/526920179.db2.gz SYEHOTHJYWDKEX-UHFFFAOYSA-N 0 0 384.455 4.546 50 0 GJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012612874 527309238 /nfs/dbraw/zinc/30/92/38/527309238.db2.gz DZIIZUBUQNXLTR-SFHVURJKSA-N 0 0 392.430 4.577 50 0 GJAARN CC(C)(C)C(=O)COC(=O)CSc1ccc2ccccc2c1Br ZINC000003217598 527563503 /nfs/dbraw/zinc/56/35/03/527563503.db2.gz ZOOFVGQBRRFKEL-UHFFFAOYSA-N 0 0 395.318 4.853 50 0 GJAARN CCC[C@@H]1CCCN1C(=O)c1csc2c1CCN(Cc1ccc(CC)cn1)C2 ZINC000426497337 527752388 /nfs/dbraw/zinc/75/23/88/527752388.db2.gz YKLYVZTVHKDXAB-LJQANCHMSA-N 0 0 397.588 4.669 50 0 GJAARN CCOc1ccccc1CN(C(=O)c1cccc(-c2cccc(N)n2)c1)C1CC1 ZINC000426589720 528720892 /nfs/dbraw/zinc/72/08/92/528720892.db2.gz 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ZINC000000655918 570214649 /nfs/dbraw/zinc/21/46/49/570214649.db2.gz JACKUGYDUZEYGA-UHFFFAOYSA-N 0 0 398.462 4.849 50 0 GJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1nnc(-c2ccccn2)s1 ZINC000047789228 570214814 /nfs/dbraw/zinc/21/48/14/570214814.db2.gz QUSWWBQQZSRUHV-UHFFFAOYSA-N 0 0 394.287 4.571 50 0 GJAARN C[C@H](NC(=O)Nc1ccc(SCc2ccco2)cc1)c1nc(C2CC2)no1 ZINC000096149279 570214914 /nfs/dbraw/zinc/21/49/14/570214914.db2.gz OYERXBGDDZHEQR-LBPRGKRZSA-N 0 0 384.461 4.715 50 0 GJAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 ZINC000012796030 570217429 /nfs/dbraw/zinc/21/74/29/570217429.db2.gz VMNTVIOWYBVUOX-RYUDHWBXSA-N 0 0 381.904 4.666 50 0 GJAARN CCOC(=O)c1nc(CN2CCc3sccc3[C@H]2c2cccs2)cs1 ZINC000048009421 570218192 /nfs/dbraw/zinc/21/81/92/570218192.db2.gz JSPZFJPQJLPKPR-INIZCTEOSA-N 0 0 390.555 4.591 50 0 GJAARN O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304746 570218285 /nfs/dbraw/zinc/21/82/85/570218285.db2.gz GWIDMJPECVZANR-UHFFFAOYSA-N 0 0 389.480 4.694 50 0 GJAARN CC(C)(C)CCNC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000023305661 570218741 /nfs/dbraw/zinc/21/87/41/570218741.db2.gz PMHUTGUYQXTZSV-UHFFFAOYSA-N 0 0 383.442 4.984 50 0 GJAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)c1 ZINC000006043634 570221109 /nfs/dbraw/zinc/22/11/09/570221109.db2.gz UZCNWFMPVOQZLE-UHFFFAOYSA-N 0 0 384.435 4.520 50 0 GJAARN COc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000000727284 570221394 /nfs/dbraw/zinc/22/13/94/570221394.db2.gz PAKGUAHMFYICHS-NRFANRHFSA-N 0 0 378.859 4.828 50 0 GJAARN Fc1cccc(Cl)c1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cc[nH]n1 ZINC000019836797 570224342 /nfs/dbraw/zinc/22/43/42/570224342.db2.gz ZXUVVYHMGGODJH-NRFANRHFSA-N 0 0 380.854 4.831 50 0 GJAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C)c1ccccn1 ZINC000048272165 570225714 /nfs/dbraw/zinc/22/57/14/570225714.db2.gz MTAKXXYCXYSREB-CQSZACIVSA-N 0 0 391.500 4.627 50 0 GJAARN COc1ccc(-c2noc(CSCc3ccccc3Cl)n2)cc1OC ZINC000012813486 570227477 /nfs/dbraw/zinc/22/74/77/570227477.db2.gz 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ZINC000023309799 570236915 /nfs/dbraw/zinc/23/69/15/570236915.db2.gz XJGPXXBRHYJUOJ-DEOSSOPVSA-N 0 0 388.486 4.682 50 0 GJAARN O=C(Cc1csc(-c2ccccn2)n1)N1CCSc2ccc(Cl)cc21 ZINC000048326500 570238078 /nfs/dbraw/zinc/23/80/78/570238078.db2.gz NHKKZLJYGSIPHX-UHFFFAOYSA-N 0 0 387.917 4.540 50 0 GJAARN Nn1c(SC(c2ccc(F)cc2)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000006085324 570239886 /nfs/dbraw/zinc/23/98/86/570239886.db2.gz LGMMBTKVEMABKV-UHFFFAOYSA-N 0 0 394.450 4.819 50 0 GJAARN Cn1c2ccc(Cl)cc2nc1SCC(=O)Nc1ccccc1OC(F)F ZINC000048342803 570239853 /nfs/dbraw/zinc/23/98/53/570239853.db2.gz DFKOCCUTHXHXBJ-UHFFFAOYSA-N 0 0 397.834 4.559 50 0 GJAARN Cc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1S[C@H]1CCCCC1=O ZINC000006093788 570240791 /nfs/dbraw/zinc/24/07/91/570240791.db2.gz ALXAKVYYCHSYSZ-IBGZPJMESA-N 0 0 398.915 4.951 50 0 GJAARN Cc1cc(C)n(-c2ccc(NC(=O)NCCCSCc3ccco3)cc2)n1 ZINC000097334323 570242186 /nfs/dbraw/zinc/24/21/86/570242186.db2.gz PEFYQGYKMIDCJV-UHFFFAOYSA-N 0 0 384.505 4.527 50 0 GJAARN COc1ccc(CN(CC[C@@H](c2ccco2)c2ccc(F)cc2)C(C)=O)cc1 ZINC000001134937 570247055 /nfs/dbraw/zinc/24/70/55/570247055.db2.gz NPFFNDGBTFGJQT-JOCHJYFZSA-N 0 0 381.447 4.998 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c(C)c1 ZINC000001145341 570248443 /nfs/dbraw/zinc/24/84/43/570248443.db2.gz NJNWFUKCUUFPQA-UHFFFAOYSA-N 0 0 394.544 4.949 50 0 GJAARN CC(=O)Nc1cc(-c2cccc(Br)c2)nn1CC1CCCCC1 ZINC000032272753 570248921 /nfs/dbraw/zinc/24/89/21/570248921.db2.gz CETHXNPTJUDMLF-UHFFFAOYSA-N 0 0 376.298 4.851 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000001158531 570251035 /nfs/dbraw/zinc/25/10/35/570251035.db2.gz QNDGYPLCGUUYTL-UHFFFAOYSA-N 0 0 395.261 4.623 50 0 GJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 ZINC000001505672 570252005 /nfs/dbraw/zinc/25/20/05/570252005.db2.gz IFTAJKKOYUCIRF-XDHOZWIPSA-N 0 0 382.485 4.808 50 0 GJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1cccc(Cl)c1 ZINC000001163973 570252344 /nfs/dbraw/zinc/25/23/44/570252344.db2.gz VIULPEQJOFDSPG-UHFFFAOYSA-N 0 0 393.826 4.595 50 0 GJAARN CC[C@H](C)c1ccc(NC(=S)N2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000020363751 570253469 /nfs/dbraw/zinc/25/34/69/570253469.db2.gz LSKSHUZXLJUOSF-SFHVURJKSA-N 0 0 397.588 4.723 50 0 GJAARN Cc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)c1 ZINC000001509621 570253550 /nfs/dbraw/zinc/25/35/50/570253550.db2.gz BOYSGTNUJJKBNL-JOCHJYFZSA-N 0 0 390.870 4.832 50 0 GJAARN CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccccc1 ZINC000001509248 570253585 /nfs/dbraw/zinc/25/35/85/570253585.db2.gz OXYUJQFOBDSEDI-UHFFFAOYSA-N 0 0 386.860 4.893 50 0 GJAARN CC/C=C/CC(=O)N1CCC[C@@H]1c1ccc(C(=O)Nc2cccc(O)c2)s1 ZINC000020455365 570258554 /nfs/dbraw/zinc/25/85/54/570258554.db2.gz IVUWMVGPKYDVIE-REMYHPOOSA-N 0 0 384.501 4.726 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(C)c(Cl)c2)n1 ZINC000049004559 570262067 /nfs/dbraw/zinc/26/20/67/570262067.db2.gz MUPPKODCJWJBIU-UHFFFAOYSA-N 0 0 380.879 4.880 50 0 GJAARN CC(=O)Nc1ccc(-c2nc3cc(NC(C)=O)ccc3n2-c2ccccc2)cc1 ZINC000001409352 570262254 /nfs/dbraw/zinc/26/22/54/570262254.db2.gz IGJZOQCLLMKFRS-UHFFFAOYSA-N 0 0 384.439 4.609 50 0 GJAARN Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)no1 ZINC000247818121 570262937 /nfs/dbraw/zinc/26/29/37/570262937.db2.gz FKZJHPIVFIBZSK-IXDOHACOSA-N 0 0 385.533 4.759 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@H](CC)C2 ZINC000006122668 570263655 /nfs/dbraw/zinc/26/36/55/570263655.db2.gz XEPMHYACYSSGOE-LBPRGKRZSA-N 0 0 375.465 4.831 50 0 GJAARN CSc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 ZINC000098211275 570263966 /nfs/dbraw/zinc/26/39/66/570263966.db2.gz QIRSHMPWQOQKNY-UHFFFAOYSA-N 0 0 390.468 4.566 50 0 GJAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cc(F)ccc3Cl)n2)cc1 ZINC000098212203 570264364 /nfs/dbraw/zinc/26/43/64/570264364.db2.gz LUHZZDMTYBTGLE-KRWDZBQOSA-N 0 0 385.826 4.815 50 0 GJAARN O=C(CCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020521986 570265391 /nfs/dbraw/zinc/26/53/91/570265391.db2.gz XEKOXJKJFABGEM-UHFFFAOYSA-N 0 0 384.523 4.553 50 0 GJAARN CC[C@@H](C)N(C(=O)CSc1nnc(Nc2ccccc2F)s1)[C@@H](C)CC ZINC000012849003 570265646 /nfs/dbraw/zinc/26/56/46/570265646.db2.gz BQQLHVPGYOYEID-BETUJISGSA-N 0 0 396.557 4.939 50 0 GJAARN CC[C@H](C)NC(=O)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000020573238 570268585 /nfs/dbraw/zinc/26/85/85/570268585.db2.gz ZVUSUSZCVNILHG-GUYCJALGSA-N 0 0 384.867 4.577 50 0 GJAARN Cc1ccccc1COc1ccccc1[C@@H]1SCC(=O)Nc2c1cnn2C ZINC000049545785 570268958 /nfs/dbraw/zinc/26/89/58/570268958.db2.gz JWXDLCLKISMRIJ-FQEVSTJZSA-N 0 0 379.485 4.732 50 0 GJAARN O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000020600032 570269537 /nfs/dbraw/zinc/26/95/37/570269537.db2.gz WNXFDQOFFSCOFB-HNNXBMFYSA-N 0 0 387.405 4.677 50 0 GJAARN Cc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000010689949 570269681 /nfs/dbraw/zinc/26/96/81/570269681.db2.gz SHSPJZIQQHQSHD-JOCHJYFZSA-N 0 0 384.479 4.803 50 0 GJAARN CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)NC(CC)CC)cc2)n1 ZINC000022634030 570272374 /nfs/dbraw/zinc/27/23/74/570272374.db2.gz QLARCDIPXFAQDV-UHFFFAOYSA-N 0 0 399.535 4.556 50 0 GJAARN CC(=O)Nc1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1 ZINC000012870961 570272789 /nfs/dbraw/zinc/27/27/89/570272789.db2.gz KCFAQXBCFQNUEK-UHFFFAOYSA-N 0 0 377.469 4.562 50 0 GJAARN CC1(C)[C@]2(c3ccccc3)[C@@H]3C=C(Br)[C@H](O)[C@@H]3[C@]12c1ccccc1 ZINC000254838682 570273897 /nfs/dbraw/zinc/27/38/97/570273897.db2.gz LXXURMUGPWKUQM-JTIOYYDXSA-N 0 0 381.313 4.802 50 0 GJAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000002083952 570273905 /nfs/dbraw/zinc/27/39/05/570273905.db2.gz SGAJXWWZPMYWML-BKUYFWCQSA-N 0 0 391.373 4.888 50 0 GJAARN Cc1ccc(OCc2nc(C(=O)N3CC=C(c4ccccc4)CC3)cs2)cc1 ZINC000012877413 570275441 /nfs/dbraw/zinc/27/54/41/570275441.db2.gz PDQHZXNPVBDEEV-UHFFFAOYSA-N 0 0 390.508 4.960 50 0 GJAARN Cc1cc(C(=O)CCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)s1 ZINC000005768310 570276306 /nfs/dbraw/zinc/27/63/06/570276306.db2.gz KYEMDZBWJRPGHM-UHFFFAOYSA-N 0 0 388.529 4.657 50 0 GJAARN Cc1cccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)c1 ZINC000002184309 570277771 /nfs/dbraw/zinc/27/77/71/570277771.db2.gz VBVGKWLNEXFDDC-UHFFFAOYSA-N 0 0 394.452 4.631 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCc1ccccc1 ZINC000002201376 570278769 /nfs/dbraw/zinc/27/87/69/570278769.db2.gz RMXDZJCLMBQERZ-JOCHJYFZSA-N 0 0 399.421 4.720 50 0 GJAARN CCOc1ccc(NC(=O)Nc2nnc(-c3ccc(OCC)cc3)s2)cc1 ZINC000002215601 570279149 /nfs/dbraw/zinc/27/91/49/570279149.db2.gz HWPBJNDHAMOOSV-UHFFFAOYSA-N 0 0 384.461 4.647 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)n2C)c1 ZINC000002218521 570279531 /nfs/dbraw/zinc/27/95/31/570279531.db2.gz JITDOFJOABZSRU-UHFFFAOYSA-N 0 0 394.544 4.819 50 0 GJAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020760682 570279563 /nfs/dbraw/zinc/27/95/63/570279563.db2.gz VCWNOQGGXGVZJV-UHFFFAOYSA-N 0 0 377.875 4.738 50 0 biogenic GJAARN CC[C@@]1(C)Cc2c(sc3nc(SCc4ccccc4F)nc(N)c23)CO1 ZINC000002239647 570280111 /nfs/dbraw/zinc/28/01/11/570280111.db2.gz SLGZVXOIWFRHGN-IBGZPJMESA-N 0 0 389.521 4.946 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(C)cc2)OC3=O)cc1 ZINC000012274570 570280242 /nfs/dbraw/zinc/28/02/42/570280242.db2.gz PTFWQVLOWXFXJR-HSZRJFAPSA-N 0 0 399.446 4.904 50 0 GJAARN Cc1ccc([C@@H](CC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)o1 ZINC000002280185 570280934 /nfs/dbraw/zinc/28/09/34/570280934.db2.gz UHKMONFGYAWZEL-OAQYLSRUSA-N 0 0 386.444 4.824 50 0 GJAARN c1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)CC(c1ccccc1)=N2 ZINC000101166783 570281458 /nfs/dbraw/zinc/28/14/58/570281458.db2.gz SVHGNNLVLIPHFL-HSZRJFAPSA-N 0 0 380.451 4.913 50 0 GJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 ZINC000012880804 570282506 /nfs/dbraw/zinc/28/25/06/570282506.db2.gz ZWFPVRKNELJPLP-UHFFFAOYSA-N 0 0 393.531 4.674 50 0 GJAARN C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CC1(Br)Br ZINC000002322849 570282595 /nfs/dbraw/zinc/28/25/95/570282595.db2.gz HPWXIQNJBDNUCU-AWEZNQCLSA-N 0 0 383.083 4.674 50 0 GJAARN CCOC(=O)c1sc(NC(=O)Cc2cc(C)ccc2C)nc1-c1ccccc1 ZINC000010700395 570283800 /nfs/dbraw/zinc/28/38/00/570283800.db2.gz MFDNICSSAAMWJG-UHFFFAOYSA-N 0 0 394.496 4.785 50 0 GJAARN Clc1cccc(-c2nnc3sc(-c4ccc(Br)o4)nn32)c1 ZINC000002376353 570285024 /nfs/dbraw/zinc/28/50/24/570285024.db2.gz TVOMLZLOOUGIGE-UHFFFAOYSA-N 0 0 381.642 4.529 50 0 GJAARN CCCCc1noc([C@@H](C)Sc2ncnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000012893242 570286521 /nfs/dbraw/zinc/28/65/21/570286521.db2.gz VLXRJQQTJBKCHQ-GFCCVEGCSA-N 0 0 398.467 4.534 50 0 GJAARN Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccn2)cc1 ZINC000002439573 570286921 /nfs/dbraw/zinc/28/69/21/570286921.db2.gz XMLUUPMPPGLWKE-UHFFFAOYSA-N 0 0 398.495 4.806 50 0 GJAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000002443741 570287224 /nfs/dbraw/zinc/28/72/24/570287224.db2.gz PPBLXGYJDVVPOV-UHFFFAOYSA-N 0 0 393.299 4.520 50 0 GJAARN COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccco2)cc1 ZINC000002449173 570287523 /nfs/dbraw/zinc/28/75/23/570287523.db2.gz JVHCSFXVPXLRGT-UHFFFAOYSA-N 0 0 381.432 4.967 50 0 GJAARN CSc1cccc(NC(=O)CCn2c(=S)[nH]nc2-c2cccc(C)c2)c1 ZINC000012901194 570288206 /nfs/dbraw/zinc/28/82/06/570288206.db2.gz YHXOSPKIKGRMDB-UHFFFAOYSA-N 0 0 384.530 4.667 50 0 GJAARN O=C(N[C@H](CCO)c1cccc(F)c1)OCC1c2ccccc2-c2ccccc21 ZINC000002535242 570290282 /nfs/dbraw/zinc/29/02/82/570290282.db2.gz XXOROXCXAVIXNU-HSZRJFAPSA-N 0 0 391.442 4.788 50 0 GJAARN O=C(N[C@H](CCO)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000002535244 570290437 /nfs/dbraw/zinc/29/04/37/570290437.db2.gz YOHULSLGGBJLLQ-HSZRJFAPSA-N 0 0 391.442 4.788 50 0 GJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000012909550 570290564 /nfs/dbraw/zinc/29/05/64/570290564.db2.gz RCIJISLSPWZLAV-UHFFFAOYSA-N 0 0 396.874 4.928 50 0 GJAARN O=C(CNC(=O)Nc1ccccc1)Nc1ccccc1SCc1ccsc1 ZINC000012908146 570290820 /nfs/dbraw/zinc/29/08/20/570290820.db2.gz RSWKNMJIDNHRCG-UHFFFAOYSA-N 0 0 397.525 4.801 50 0 GJAARN COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)c(OC)c1 ZINC000021581154 570292716 /nfs/dbraw/zinc/29/27/16/570292716.db2.gz HGWIROHVIVAFRK-FYWRMAATSA-N 0 0 399.450 4.828 50 0 GJAARN O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000021600146 570293035 /nfs/dbraw/zinc/29/30/35/570293035.db2.gz YYWBPETWDKMLIY-UHFFFAOYSA-N 0 0 379.769 4.856 50 0 GJAARN O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1OCc1ccc(F)cc1 ZINC000014141277 570293217 /nfs/dbraw/zinc/29/32/17/570293217.db2.gz LAIFTNGIGIMNFN-UHFFFAOYSA-N 0 0 395.415 4.769 50 0 GJAARN CCc1ccc(Cn2nccc2NC(=O)c2ccc(Br)s2)cc1 ZINC000021599539 570293218 /nfs/dbraw/zinc/29/32/18/570293218.db2.gz JREYLQNIVUMOGS-UHFFFAOYSA-N 0 0 390.306 4.570 50 0 GJAARN Cc1cccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)c1 ZINC000102970690 570293767 /nfs/dbraw/zinc/29/37/67/570293767.db2.gz HTVLDVUTEZBAJU-VIDBFQSPSA-N 0 0 382.463 4.961 50 0 GJAARN CC(C)CC(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002666988 570294431 /nfs/dbraw/zinc/29/44/31/570294431.db2.gz JKNHLUJQYJZEQX-GFCCVEGCSA-N 0 0 391.648 4.976 50 0 GJAARN CNC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000002668297 570294584 /nfs/dbraw/zinc/29/45/84/570294584.db2.gz QNGUFBJPKUGMFT-SDNWHVSQSA-N 0 0 396.556 4.936 50 0 GJAARN O=C(/C=C/c1ccccc1)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl ZINC000002672675 570294805 /nfs/dbraw/zinc/29/48/05/570294805.db2.gz MGDUDQQGPMMFBS-SIFUEBAJSA-N 0 0 387.669 4.764 50 0 GJAARN Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccc(F)cc4)c(C)nn32)n1 ZINC000021799252 570296208 /nfs/dbraw/zinc/29/62/08/570296208.db2.gz WZRUPHDJIVJRPM-UHFFFAOYSA-N 0 0 377.467 4.944 50 0 GJAARN O=C(CNC(=O)c1ccccc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000012925484 570296550 /nfs/dbraw/zinc/29/65/50/570296550.db2.gz QISGUKSNRDLNEK-UHFFFAOYSA-N 0 0 380.831 4.501 50 0 GJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H](CC)Oc1ccccc1 ZINC000002736953 570296911 /nfs/dbraw/zinc/29/69/11/570296911.db2.gz FZUULAUDPHYQLK-INIZCTEOSA-N 0 0 375.490 4.592 50 0 GJAARN CCOCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC000002735236 570297023 /nfs/dbraw/zinc/29/70/23/570297023.db2.gz WMXDMBPFTSOSFZ-UHFFFAOYSA-N 0 0 390.468 4.542 50 0 GJAARN CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000005240733 570299318 /nfs/dbraw/zinc/29/93/18/570299318.db2.gz JVOJZGFIAKBFPS-UHFFFAOYSA-N 0 0 398.509 4.946 50 0 GJAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1(C)C ZINC000022006686 570301540 /nfs/dbraw/zinc/30/15/40/570301540.db2.gz YWANYZNFTRQIOX-ZWKOTPCHSA-N 0 0 380.454 4.592 50 0 GJAARN COc1cc(NC(=O)c2cccs2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000022023149 570302142 /nfs/dbraw/zinc/30/21/42/570302142.db2.gz LPGGIZJJCSBNSW-UHFFFAOYSA-N 0 0 386.860 4.915 50 0 GJAARN CCCNC(=O)c1csc(-c2ccc(OCc3ccccc3)c(OC)c2)n1 ZINC000034712288 570303488 /nfs/dbraw/zinc/30/34/88/570303488.db2.gz PWQNLTOMJQIRFN-UHFFFAOYSA-N 0 0 382.485 4.538 50 0 GJAARN CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(N)cc1 ZINC000002825783 570305073 /nfs/dbraw/zinc/30/50/73/570305073.db2.gz JINSIYRAASFCPD-UHFFFAOYSA-N 0 0 388.496 4.675 50 0 GJAARN CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000002838251 570306710 /nfs/dbraw/zinc/30/67/10/570306710.db2.gz YQLYIIRTDYLBJA-UHFFFAOYSA-N 0 0 390.936 4.598 50 0 GJAARN Cc1ccc(OCCSc2nnc(NC(=O)C3CCCCC3)s2)cc1 ZINC000002845310 570307588 /nfs/dbraw/zinc/30/75/88/570307588.db2.gz YZGWNOPFTPQUPK-UHFFFAOYSA-N 0 0 377.535 4.536 50 0 GJAARN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2Br)cc1 ZINC000002848369 570308059 /nfs/dbraw/zinc/30/80/59/570308059.db2.gz ZXDFFTADEQLXGK-FQEVSTJZSA-N 0 0 396.284 4.977 50 0 GJAARN COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000119818818 570309935 /nfs/dbraw/zinc/30/99/35/570309935.db2.gz MJTXGUYXWJDKFB-UHFFFAOYSA-N 0 0 392.459 4.622 50 0 GJAARN Cc1cc(C)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000002856970 570310060 /nfs/dbraw/zinc/31/00/60/570310060.db2.gz VOLDHMNHUDEGAH-UHFFFAOYSA-N 0 0 376.847 4.943 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1Cc1ccccc1 ZINC000002859355 570311115 /nfs/dbraw/zinc/31/11/15/570311115.db2.gz NOINJJBEPLBCPU-OAQYLSRUSA-N 0 0 385.394 4.678 50 0 GJAARN O=C(CSc1nc2ccccc2c(=O)n1CC1CCCCC1)c1ccccc1 ZINC000002860833 570311369 /nfs/dbraw/zinc/31/13/69/570311369.db2.gz MGYKEGCCAYHPLV-UHFFFAOYSA-N 0 0 392.524 4.952 50 0 GJAARN Cc1cccc2c(C(=O)Nc3nnc(C4CC4)s3)cc(-c3cccnc3)nc12 ZINC000002867501 570312876 /nfs/dbraw/zinc/31/28/76/570312876.db2.gz FPSJHBRLSWYKCZ-UHFFFAOYSA-N 0 0 387.468 4.586 50 0 GJAARN Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)NC3CC3)c2c1 ZINC000002867486 570312886 /nfs/dbraw/zinc/31/28/86/570312886.db2.gz KYIKWXWREJRTRA-UHFFFAOYSA-N 0 0 381.273 4.865 50 0 GJAARN COC(=O)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 ZINC000575442919 570313113 /nfs/dbraw/zinc/31/31/13/570313113.db2.gz IMRYZSPJYMRIMZ-UHFFFAOYSA-N 0 0 377.231 4.714 50 0 GJAARN Clc1cc(Br)ccc1OCCOCCn1cnc2ccccc21 ZINC000002868210 570313196 /nfs/dbraw/zinc/31/31/96/570313196.db2.gz CYIZBKKORXBHSP-UHFFFAOYSA-N 0 0 395.684 4.548 50 0 GJAARN CC1(C)CCc2cc(Cc3nn4c(nnc4-c4cccs4)s3)ccc2O1 ZINC000012322918 570313933 /nfs/dbraw/zinc/31/39/33/570313933.db2.gz DCLAPQASJISXDB-UHFFFAOYSA-N 0 0 382.514 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/nfs/dbraw/zinc/37/21/93/570372193.db2.gz NSGGRWMUCNIRHS-CQSZACIVSA-N 0 0 377.481 4.593 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(F)cc4F)sc3n2)cc1 ZINC000004931019 570372687 /nfs/dbraw/zinc/37/26/87/570372687.db2.gz HXOVVWUATIMRCW-UHFFFAOYSA-N 0 0 399.422 4.910 50 0 GJAARN Cc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)s1 ZINC000008328729 570375130 /nfs/dbraw/zinc/37/51/30/570375130.db2.gz ICQODDWXWJHPSJ-UHFFFAOYSA-N 0 0 380.469 4.526 50 0 GJAARN CCn1c(=O)c2cc(C(=O)Nc3cc(F)ccc3F)sc2c2ccccc21 ZINC000004939232 570375314 /nfs/dbraw/zinc/37/53/14/570375314.db2.gz ONQZJQPTCOEGDM-UHFFFAOYSA-N 0 0 384.407 4.767 50 0 GJAARN O=C(COc1ccc(Cl)cc1)OCc1cc(-c2cc3ccccc3o2)on1 ZINC000022769008 570376811 /nfs/dbraw/zinc/37/68/11/570376811.db2.gz MAWJYLSMCNQMEZ-UHFFFAOYSA-N 0 0 383.787 4.863 50 0 GJAARN COc1cccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)c1 ZINC000004941119 570378032 /nfs/dbraw/zinc/37/80/32/570378032.db2.gz WRORWTGVMXJSNV-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN Cc1cc(Cl)cc2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc21 ZINC000022890520 570379038 /nfs/dbraw/zinc/37/90/38/570379038.db2.gz SVRLGUUYZATGJT-OAHLLOKOSA-N 0 0 378.925 4.960 50 0 GJAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)c(OC)c1 ZINC000004960673 570382566 /nfs/dbraw/zinc/38/25/66/570382566.db2.gz XIFXDNIULBJBSH-HXUWFJFHSA-N 0 0 395.846 4.523 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](OC(=O)C1CC1)c1ccccc1 ZINC000004966382 570383655 /nfs/dbraw/zinc/38/36/55/570383655.db2.gz DDFSFJYGYUAMQO-MRXNPFEDSA-N 0 0 397.780 4.992 50 0 GJAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)cc1 ZINC000004966437 570383878 /nfs/dbraw/zinc/38/38/78/570383878.db2.gz QSLABPNBZIXEJR-UHFFFAOYSA-N 0 0 385.920 4.768 50 0 GJAARN CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 ZINC000004554777 570383980 /nfs/dbraw/zinc/38/39/80/570383980.db2.gz PSKIHASFDODULG-UHFFFAOYSA-N 0 0 384.476 4.721 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n1 ZINC000090608122 570384045 /nfs/dbraw/zinc/38/40/45/570384045.db2.gz SXURFBHYMALANW-UHFFFAOYSA-N 0 0 399.541 4.751 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](CC)C2 ZINC000004558258 570384558 /nfs/dbraw/zinc/38/45/58/570384558.db2.gz QHLUXNKRIAJECY-LBPRGKRZSA-N 0 0 375.465 4.831 50 0 GJAARN FC(F)(F)c1cccc(Cn2cccc2C2=N[C@@H](Cc3ccccc3)CO2)c1 ZINC000004970732 570385846 /nfs/dbraw/zinc/38/58/46/570385846.db2.gz JDNZYNLXKKDPHC-IBGZPJMESA-N 0 0 384.401 4.943 50 0 GJAARN CCOC(=O)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000004610477 570387254 /nfs/dbraw/zinc/38/72/54/570387254.db2.gz RXPGNPIHTJDGQT-UHFFFAOYSA-N 0 0 388.419 4.844 50 0 GJAARN COc1cccc2cc(C(=O)NCc3ccc([C@@H](O)c4cccs4)s3)oc21 ZINC000090613628 570387382 /nfs/dbraw/zinc/38/73/82/570387382.db2.gz JVTYHIDBFZYZNI-SFHVURJKSA-N 0 0 399.493 4.576 50 0 GJAARN CC(C)(C)C1CCC(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000004979701 570388589 /nfs/dbraw/zinc/38/85/89/570388589.db2.gz FCHVFUGRLWZQFG-UHFFFAOYSA-N 0 0 399.575 4.863 50 0 GJAARN O=C(c1ccc(F)cc1)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 ZINC000006322503 570388615 /nfs/dbraw/zinc/38/86/15/570388615.db2.gz NREORINGXHJZJT-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1C[C@H]3CC[C@@H]1C3)CCCCC2 ZINC000004628680 570388626 /nfs/dbraw/zinc/38/86/26/570388626.db2.gz DQLMUSMXKADYPB-LZWOXQAQSA-N 0 0 375.534 4.957 50 0 GJAARN CCN(CC)c1nc2ccc(Cl)cc2n2c(/C=C/c3ccccc3)nnc12 ZINC000004648775 570389408 /nfs/dbraw/zinc/38/94/08/570389408.db2.gz JCQDBEVYOMMOBR-JLHYYAGUSA-N 0 0 377.879 4.948 50 0 GJAARN COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@@H](c2ccco2)C1 ZINC000004994215 570391620 /nfs/dbraw/zinc/39/16/20/570391620.db2.gz JRVIJLFPOKIHIE-GOSISDBHSA-N 0 0 380.831 4.933 50 0 GJAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000035539747 570391971 /nfs/dbraw/zinc/39/19/71/570391971.db2.gz MBWMYTOTIASDQA-UHFFFAOYSA-N 0 0 398.260 4.558 50 0 GJAARN CCOC(=O)/C=C/C(=O)n1nc(-c2ccccc2)c2c1[C@@H](C(C)C)CC[C@H]2C ZINC000004671455 570392210 /nfs/dbraw/zinc/39/22/10/570392210.db2.gz GNUMJKTYKPYMCK-KVOGJJTBSA-N 0 0 380.488 4.947 50 0 GJAARN CSc1ncc(C(=O)N[C@@H]2CCSc3ccccc32)n1-c1ccc(F)cc1 ZINC000024773237 570392720 /nfs/dbraw/zinc/39/27/20/570392720.db2.gz SWPFJEVGNGULPQ-MRXNPFEDSA-N 0 0 399.516 4.700 50 0 GJAARN COc1ccccc1CN(Cc1cn2cccc(C)c2n1)Cc1cccs1 ZINC000032751410 570393682 /nfs/dbraw/zinc/39/36/82/570393682.db2.gz LZYBAGZWSAKOQG-UHFFFAOYSA-N 0 0 377.513 4.915 50 0 GJAARN Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000004700749 570394612 /nfs/dbraw/zinc/39/46/12/570394612.db2.gz GQJBDFKIDWPJNT-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)NC(C)(C)C)c2c1 ZINC000005006203 570394738 /nfs/dbraw/zinc/39/47/38/570394738.db2.gz GVDBKXYGZMYBLA-UHFFFAOYSA-N 0 0 399.560 4.796 50 0 GJAARN COc1cccc(-c2nn(C)c3sc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc23)c1 ZINC000005006923 570394741 /nfs/dbraw/zinc/39/47/41/570394741.db2.gz FMMYTQAMZNSWCD-PMUMKWKESA-N 0 0 397.544 4.865 50 0 GJAARN Cc1nc2cc(NC(=O)c3c(C)onc3-c3c(F)cccc3Cl)ccc2[nH]1 ZINC000024833303 570394983 /nfs/dbraw/zinc/39/49/83/570394983.db2.gz CKLPLPQPENEIOI-UHFFFAOYSA-N 0 0 384.798 4.880 50 0 GJAARN CNc1snc(C)c1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000032903688 570396106 /nfs/dbraw/zinc/39/61/06/570396106.db2.gz KWTJDSKNNATOOI-HNNXBMFYSA-N 0 0 396.541 4.598 50 0 GJAARN COc1ccc(Cc2nnc3sc(/C=C/c4ccc(C)c(C)c4)nn23)cc1 ZINC000005013900 570396392 /nfs/dbraw/zinc/39/63/92/570396392.db2.gz FULLHPXMIRTIIV-DHZHZOJOSA-N 0 0 376.485 4.572 50 0 GJAARN O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000004724307 570397920 /nfs/dbraw/zinc/39/79/20/570397920.db2.gz ZHRYYKZTUHDQTD-UHFFFAOYSA-N 0 0 389.476 4.796 50 0 GJAARN O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccncc1 ZINC000006372853 570398535 /nfs/dbraw/zinc/39/85/35/570398535.db2.gz VPSZCYAXDIZJAZ-UHFFFAOYSA-N 0 0 385.345 4.605 50 0 GJAARN CCc1cccc(C)c1-n1c(N)c(C(=O)NC2CCCCC2)sc1=S ZINC000032952358 570398740 /nfs/dbraw/zinc/39/87/40/570398740.db2.gz MNLHPVJQSYEMRC-UHFFFAOYSA-N 0 0 375.563 4.784 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccn2)cc1 ZINC000004731514 570398841 /nfs/dbraw/zinc/39/88/41/570398841.db2.gz HROJWVJAMQFEGM-JOCHJYFZSA-N 0 0 395.466 4.667 50 0 GJAARN CCc1ccc(CNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000005022669 570400121 /nfs/dbraw/zinc/40/01/21/570400121.db2.gz HPSRQCFRSDBSFV-UHFFFAOYSA-N 0 0 393.487 4.933 50 0 GJAARN C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004744039 570401307 /nfs/dbraw/zinc/40/13/07/570401307.db2.gz LIVJANRCEVGFOL-AWEZNQCLSA-N 0 0 390.405 4.972 50 0 GJAARN Cc1cc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000033084617 570401542 /nfs/dbraw/zinc/40/15/42/570401542.db2.gz RTTYIADXJGBAEV-UHFFFAOYSA-N 0 0 395.890 4.814 50 0 GJAARN CCc1cccc(C)c1NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000006365571 570401830 /nfs/dbraw/zinc/40/18/30/570401830.db2.gz YOJXEKROMWPYGY-UHFFFAOYSA-N 0 0 385.847 4.643 50 0 GJAARN CC[C@H](C)NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000005040001 570402728 /nfs/dbraw/zinc/40/27/28/570402728.db2.gz JUUOJCRRITWVOP-NSHDSACASA-N 0 0 375.494 4.504 50 0 GJAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc2n1 ZINC000004757332 570403652 /nfs/dbraw/zinc/40/36/52/570403652.db2.gz RSMKRDIAVCGWQO-UHFFFAOYSA-N 0 0 393.487 4.659 50 0 GJAARN CCc1ccc2nc(N3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)sc2c1 ZINC000004757384 570403698 /nfs/dbraw/zinc/40/36/98/570403698.db2.gz GXOQRWBNHVDAIU-CRAIPNDOSA-N 0 0 385.577 4.770 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1N1CCCCC1 ZINC000025051911 570404097 /nfs/dbraw/zinc/40/40/97/570404097.db2.gz VQJXESMWXNMOOD-HSZRJFAPSA-N 0 0 389.499 4.580 50 0 GJAARN Fc1cccc(Cl)c1CC1N=NC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000006402402 570405124 /nfs/dbraw/zinc/40/51/24/570405124.db2.gz JXXWHIBKECBIMO-UHFFFAOYSA-N 0 0 387.789 4.958 50 0 GJAARN O=C(Nc1ccc(F)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1 ZINC000033300985 570405297 /nfs/dbraw/zinc/40/52/97/570405297.db2.gz ARYADVNNUGAVTM-UHFFFAOYSA-N 0 0 379.457 4.879 50 0 GJAARN Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(F)cc3F)nc12 ZINC000025075088 570405431 /nfs/dbraw/zinc/40/54/31/570405431.db2.gz UQDKNZCKOGCBGV-UHFFFAOYSA-N 0 0 393.393 4.752 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C\c2cccs2)sc2c1CCCCC2 ZINC000033283776 570405538 /nfs/dbraw/zinc/40/55/38/570405538.db2.gz XHQRHYFLMDVIQW-KHPPLWFESA-N 0 0 375.515 4.907 50 0 GJAARN Fc1cccc(-c2noc(-c3cc(N4CCSCC4)nc4ccccc43)n2)c1 ZINC000033282548 570405644 /nfs/dbraw/zinc/40/56/44/570405644.db2.gz LPQQZEGBVDYOIK-UHFFFAOYSA-N 0 0 392.459 4.644 50 0 GJAARN Cc1ccc(C(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)cc1 ZINC000004808072 570406713 /nfs/dbraw/zinc/40/67/13/570406713.db2.gz IITHDBNSDXCEAQ-UHFFFAOYSA-N 0 0 386.403 4.736 50 0 biogenic GJAARN O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000012986796 570407137 /nfs/dbraw/zinc/40/71/37/570407137.db2.gz OLMSESKSQZLYJA-UHFFFAOYSA-N 0 0 392.440 4.588 50 0 GJAARN CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000025159087 570407519 /nfs/dbraw/zinc/40/75/19/570407519.db2.gz QSCNPOYWPPOMGQ-NQIIRXRSSA-N 0 0 397.494 4.583 50 0 GJAARN CCc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000012983773 570407949 /nfs/dbraw/zinc/40/79/49/570407949.db2.gz PFPXVXDFXBSCCS-UHFFFAOYSA-N 0 0 389.377 4.889 50 0 GJAARN Cc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1Cl ZINC000032817745 570409058 /nfs/dbraw/zinc/40/90/58/570409058.db2.gz IKZCPWGLNLORJL-UHFFFAOYSA-N 0 0 384.819 4.511 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000004833318 570409499 /nfs/dbraw/zinc/40/94/99/570409499.db2.gz ZCPCQUJSVHQIRF-GFCCVEGCSA-N 0 0 388.533 4.751 50 0 GJAARN S=c1n(CN2CCc3ccccc3C2)nc(-c2ccco2)n1-c1ccccc1 ZINC000005066524 570409896 /nfs/dbraw/zinc/40/98/96/570409896.db2.gz LTMGGNGXPZCKRY-UHFFFAOYSA-N 0 0 388.496 4.679 50 0 GJAARN CC(C)CC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000006871055 570410256 /nfs/dbraw/zinc/41/02/56/570410256.db2.gz ACFCDRNXIKYVNN-IBGZPJMESA-N 0 0 386.442 4.533 50 0 GJAARN c1ccc(-c2nnc(COc3ccc(-c4cnc5ccccc5n4)cc3)o2)cc1 ZINC000004842549 570411051 /nfs/dbraw/zinc/41/10/51/570411051.db2.gz ONAZGWYTPMEKBH-UHFFFAOYSA-N 0 0 380.407 4.926 50 0 GJAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 ZINC000004841911 570411056 /nfs/dbraw/zinc/41/10/56/570411056.db2.gz QAEGPEIVTIARER-UHFFFAOYSA-N 0 0 387.892 4.602 50 0 GJAARN COc1ccc(-c2c(-c3ccc(OC)c(C)c3O)n[nH]c2C(F)(F)F)cc1 ZINC000004844646 570411358 /nfs/dbraw/zinc/41/13/58/570411358.db2.gz BJEKZQCEUOWSCS-UHFFFAOYSA-N 0 0 378.350 4.794 50 0 GJAARN COc1ccccc1-c1nnc(SCc2cc(C)on2)n1-c1ccc(C)cc1 ZINC000024969393 570411771 /nfs/dbraw/zinc/41/17/71/570411771.db2.gz HLWKJOWMLPKTIP-UHFFFAOYSA-N 0 0 392.484 4.840 50 0 GJAARN O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000010983405 570414054 /nfs/dbraw/zinc/41/40/54/570414054.db2.gz GHARCFINTLQNFS-UHFFFAOYSA-N 0 0 393.846 4.594 50 0 GJAARN O=C(NCc1ccccc1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000004869904 570414548 /nfs/dbraw/zinc/41/45/48/570414548.db2.gz LYMLFYURWQFUNU-UHFFFAOYSA-N 0 0 389.842 4.987 50 0 GJAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000005090849 570415222 /nfs/dbraw/zinc/41/52/22/570415222.db2.gz UIESNEAFIDJNHL-FQEVSTJZSA-N 0 0 380.831 4.825 50 0 GJAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(SC(F)(F)F)cc1 ZINC000013006770 570415588 /nfs/dbraw/zinc/41/55/88/570415588.db2.gz CRNSUPQOPLUJQU-UHFFFAOYSA-N 0 0 380.391 4.678 50 0 GJAARN Cc1ccc(-c2nc(CN(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)co2)c(C)c1 ZINC000013007616 570415872 /nfs/dbraw/zinc/41/58/72/570415872.db2.gz DGVAAYAPEKMLMO-QGZVFWFLSA-N 0 0 398.528 4.555 50 0 GJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OCC4CCCCC4)c(C)c3C(=O)C2)cc1 ZINC000004910591 570417037 /nfs/dbraw/zinc/41/70/37/570417037.db2.gz KPXCJZXZXHTVCW-SFHVURJKSA-N 0 0 395.499 4.982 50 0 GJAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 ZINC000004911988 570417328 /nfs/dbraw/zinc/41/73/28/570417328.db2.gz AIEWIVLIIINMRA-KRWDZBQOSA-N 0 0 383.488 4.982 50 0 GJAARN Cc1ccc2nc(NC(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000035672008 570418341 /nfs/dbraw/zinc/41/83/41/570418341.db2.gz GHEZDGKNVWMHHG-UHFFFAOYSA-N 0 0 395.528 4.661 50 0 GJAARN Cc1cc2sc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)nc2c(C)c1 ZINC000005107228 570418466 /nfs/dbraw/zinc/41/84/66/570418466.db2.gz NUWLVERTMTVHKO-MAUKXSAKSA-N 0 0 385.577 4.824 50 0 GJAARN CCc1ccc2nc(N(CC[NH+](C)C)C(=O)/C=C/c3cccs3)sc2c1 ZINC000005115384 570419782 /nfs/dbraw/zinc/41/97/82/570419782.db2.gz SYGUQTIVVWFFJN-CSKARUKUSA-N 0 0 385.558 4.528 50 0 GJAARN COc1cc2c(cc1OC)CN(Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000004988706 570421738 /nfs/dbraw/zinc/42/17/38/570421738.db2.gz ZKCQYAGMILDPDW-UHFFFAOYSA-N 0 0 389.495 4.841 50 0 GJAARN O=S(=O)(NCc1cccnc1-c1ccsc1)c1c(Cl)cccc1Cl ZINC000225649256 570421855 /nfs/dbraw/zinc/42/18/55/570421855.db2.gz OYOVHVOZDKFOPO-UHFFFAOYSA-N 0 0 399.324 4.595 50 0 GJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000026295622 570424511 /nfs/dbraw/zinc/42/45/11/570424511.db2.gz ZTFCLPNPYSPQIJ-KGLIPLIRSA-N 0 0 382.348 4.968 50 0 GJAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccc2cccnc21 ZINC000005027985 570425012 /nfs/dbraw/zinc/42/50/12/570425012.db2.gz SRHACADHLWAQSH-UHFFFAOYSA-N 0 0 379.529 4.654 50 0 GJAARN Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(Cc4ccccc4)o3)o2)cc1 ZINC000026438027 570425721 /nfs/dbraw/zinc/42/57/21/570425721.db2.gz PMYZYHULAGUPAM-CQSZACIVSA-N 0 0 378.457 4.872 50 0 GJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@H]2CCCC[C@@H]2C)c1C ZINC000005054048 570426709 /nfs/dbraw/zinc/42/67/09/570426709.db2.gz MIZCPRKIOUIVDP-JXFKEZNVSA-N 0 0 396.531 4.644 50 0 GJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2ccc(F)cc2)c1C ZINC000005054083 570426789 /nfs/dbraw/zinc/42/67/89/570426789.db2.gz KZKSDVCMKADAAX-UHFFFAOYSA-N 0 0 394.446 4.726 50 0 GJAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4F)csc3n2)cc1 ZINC000005146984 570427141 /nfs/dbraw/zinc/42/71/41/570427141.db2.gz PHEMRXLMBJGELU-UHFFFAOYSA-N 0 0 395.459 4.782 50 0 GJAARN CC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)c1 ZINC000005147145 570427166 /nfs/dbraw/zinc/42/71/66/570427166.db2.gz UOXRGLQVJDWYJG-UHFFFAOYSA-N 0 0 389.480 4.755 50 0 GJAARN CCc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000005147341 570427414 /nfs/dbraw/zinc/42/74/14/570427414.db2.gz FANMHPXCJNNEQN-UHFFFAOYSA-N 0 0 379.460 4.946 50 0 GJAARN Cc1ccc(C(=O)C2CCN([C@@H](C)c3nc(-c4ccco4)no3)CC2)c(C)c1 ZINC000026644485 570427492 /nfs/dbraw/zinc/42/74/92/570427492.db2.gz ORWXBRAVHGABHZ-INIZCTEOSA-N 0 0 379.460 4.602 50 0 GJAARN Cc1ccc(C(=O)N2NC(C3CCCCC3)=C[C@@]2(O)C(F)(F)F)c(Cl)c1 ZINC000005064117 570427786 /nfs/dbraw/zinc/42/77/86/570427786.db2.gz RVVFLLXPMSYIOX-QGZVFWFLSA-N 0 0 388.817 4.682 50 0 GJAARN CCOc1ccc(N2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)NC2=S)cc1 ZINC000005091280 570428595 /nfs/dbraw/zinc/42/85/95/570428595.db2.gz CUUUTHPBULHPGI-YBEGLDIGSA-N 0 0 393.295 4.654 50 0 GJAARN CCc1cccc(C)c1-n1c(N)c(C(=O)NCc2ccccc2)sc1=S ZINC000032952362 570429419 /nfs/dbraw/zinc/42/94/19/570429419.db2.gz KEHXKFKCVZOPCV-UHFFFAOYSA-N 0 0 383.542 4.651 50 0 GJAARN CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)c2cccs2)cc1 ZINC000037555432 570430033 /nfs/dbraw/zinc/43/00/33/570430033.db2.gz AZIUPZYGKGGFAG-UHFFFAOYSA-N 0 0 392.524 4.582 50 0 GJAARN Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 ZINC000240444247 570430799 /nfs/dbraw/zinc/43/07/99/570430799.db2.gz FWWAAVPLFRUJKP-ZIFCJYIRSA-N 0 0 380.488 4.929 50 0 GJAARN COc1ccc(CNC(=O)c2c3ccccc3nnc2-c2ccc(C)cc2)cc1 ZINC000032952946 570431637 /nfs/dbraw/zinc/43/16/37/570431637.db2.gz TUCUFGGIXJELQI-UHFFFAOYSA-N 0 0 383.451 4.544 50 0 GJAARN Cc1ccc(C)c(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c1 ZINC000032953839 570434215 /nfs/dbraw/zinc/43/42/15/570434215.db2.gz JJKYLRPNMIBZTH-UHFFFAOYSA-N 0 0 390.487 4.641 50 0 GJAARN CC(C)CC[C@@H](C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000245312012 570435393 /nfs/dbraw/zinc/43/53/93/570435393.db2.gz RTERSVKGKRXLAJ-NGRWLJPCSA-N 0 0 380.532 4.794 50 0 GJAARN CCN1c2ccccc2S/C1=C/C=C1/C(=O)N(c2ccccc2)C(=S)N1C ZINC000100717978 570435472 /nfs/dbraw/zinc/43/54/72/570435472.db2.gz BZNWBZNDWXWJCP-QPOYRMPTSA-N 0 0 393.537 4.607 50 0 GJAARN Cc1cc(C(=O)CCC(=O)Nc2cccc(OCc3cccnc3)c2)c(C)s1 ZINC000054038757 570437585 /nfs/dbraw/zinc/43/75/85/570437585.db2.gz XIIFOIQPSGDVSN-UHFFFAOYSA-N 0 0 394.496 4.941 50 0 GJAARN CCc1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc1 ZINC000027664226 570439217 /nfs/dbraw/zinc/43/92/17/570439217.db2.gz ROACSQCBUMKZTH-UHFFFAOYSA-N 0 0 380.875 4.910 50 0 GJAARN Cc1c(C(=O)Oc2ccc3oc4ccccc4c3c2)sc2[nH]c(C)nc(=O)c12 ZINC000003458309 570439489 /nfs/dbraw/zinc/43/94/89/570439489.db2.gz OZGIOKHJSWRXRZ-UHFFFAOYSA-N 0 0 390.420 4.720 50 0 GJAARN CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027664504 570439613 /nfs/dbraw/zinc/43/96/13/570439613.db2.gz UUQXPUIKCGLFEU-OAQYLSRUSA-N 0 0 386.923 4.696 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1C(=O)Nc1ccccc1 ZINC000006460970 570439831 /nfs/dbraw/zinc/43/98/31/570439831.db2.gz PCCJCIXODGJUGR-UHFFFAOYSA-N 0 0 384.435 4.990 50 0 GJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc2c1 ZINC000005457771 570440343 /nfs/dbraw/zinc/44/03/43/570440343.db2.gz IAEZPWNNLPZPOF-UHFFFAOYSA-N 0 0 396.299 4.999 50 0 GJAARN COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1C ZINC000027744072 570441131 /nfs/dbraw/zinc/44/11/31/570441131.db2.gz UQPKGBFDMPMKHD-OAHLLOKOSA-N 0 0 395.459 4.583 50 0 GJAARN Cc1sc(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 ZINC000011866552 570441750 /nfs/dbraw/zinc/44/17/50/570441750.db2.gz VIHYYEBFWGKGBU-AWEZNQCLSA-N 0 0 375.497 4.961 50 0 GJAARN CCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(C)(C)C ZINC000035764656 570443188 /nfs/dbraw/zinc/44/31/88/570443188.db2.gz NZJOQLLXQUQKKX-UHFFFAOYSA-N 0 0 398.547 4.934 50 0 GJAARN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)cc1 ZINC000252452470 570448725 /nfs/dbraw/zinc/44/87/25/570448725.db2.gz KKRIOVOSYHKGRB-UHFFFAOYSA-N 0 0 376.294 4.715 50 0 GJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1 ZINC000001958466 570451143 /nfs/dbraw/zinc/45/11/43/570451143.db2.gz CPBVAJMBMRHORJ-BUHFOSPRSA-N 0 0 378.453 4.639 50 0 GJAARN Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)o1 ZINC000028251444 570453280 /nfs/dbraw/zinc/45/32/80/570453280.db2.gz LYUHZLAZTFOOSG-UHFFFAOYSA-N 0 0 391.423 4.747 50 0 GJAARN Cc1cc(C)cc(NC(=O)Nc2ccccc2Sc2ccc3nncn3n2)c1 ZINC000032958410 570460519 /nfs/dbraw/zinc/46/05/19/570460519.db2.gz QIHLUDNUJPVSQH-UHFFFAOYSA-N 0 0 390.472 4.536 50 0 GJAARN COc1cc(NC(=O)CCC(=O)c2cc(C)ccc2C)c(OC)cc1Cl ZINC000006510814 570463255 /nfs/dbraw/zinc/46/32/55/570463255.db2.gz CGJASBHTFUIDLT-UHFFFAOYSA-N 0 0 375.852 4.576 50 0 GJAARN O=C1[C@@H]2CS[C@H](c3cccc(F)c3)N2C(=O)N1c1cccc2ccccc21 ZINC000002268094 570463515 /nfs/dbraw/zinc/46/35/15/570463515.db2.gz OTPTYRJAUBCJOA-AZUAARDMSA-N 0 0 378.428 4.562 50 0 GJAARN Cc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)c(C)s1 ZINC000064450232 570464421 /nfs/dbraw/zinc/46/44/21/570464421.db2.gz MVUXFGNIOKAWEC-QGZVFWFLSA-N 0 0 393.512 4.785 50 0 GJAARN Cc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)CC(C)(C)C)n2)c1 ZINC000035845238 570464480 /nfs/dbraw/zinc/46/44/80/570464480.db2.gz YQNKFYAPYJXEBD-LJQANCHMSA-N 0 0 377.488 4.881 50 0 GJAARN Fc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 ZINC000029251825 570470906 /nfs/dbraw/zinc/47/09/06/570470906.db2.gz CZHKHHZBKBRGHR-UHFFFAOYSA-N 0 0 388.811 4.871 50 0 GJAARN COc1ccc(Br)cc1[C@@H]1Nc2c(C)cccc2-c2cc(C)nn21 ZINC000006547513 570472506 /nfs/dbraw/zinc/47/25/06/570472506.db2.gz MHPCGHJNHYAUQO-LJQANCHMSA-N 0 0 384.277 4.910 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@H]3CCCC[C@H]3C)c2n1 ZINC000006547128 570472656 /nfs/dbraw/zinc/47/26/56/570472656.db2.gz URMJRJFLOISXIV-BDJLRTHQSA-N 0 0 381.303 4.924 50 0 GJAARN CCOc1ccc(-n2c(CSC3CCCC3)nc3ccccc3c2=O)cc1 ZINC000006549483 570472999 /nfs/dbraw/zinc/47/29/99/570472999.db2.gz FQFKOERWEXCJCB-UHFFFAOYSA-N 0 0 380.513 4.960 50 0 GJAARN CC(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000006240196 570473447 /nfs/dbraw/zinc/47/34/47/570473447.db2.gz JLZIHKNECAVRIM-UHFFFAOYSA-N 0 0 394.496 4.863 50 0 GJAARN COc1ccc2oc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c(C)c2c1 ZINC000006552802 570475260 /nfs/dbraw/zinc/47/52/60/570475260.db2.gz HOTBLLFFAMUHCL-UHFFFAOYSA-N 0 0 392.455 4.628 50 0 GJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 ZINC000029516057 570475381 /nfs/dbraw/zinc/47/53/81/570475381.db2.gz LAUJWEGEZMMNAH-CALCHBBNSA-N 0 0 379.529 4.745 50 0 GJAARN COc1ccc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)cc1Cl ZINC000006294878 570476236 /nfs/dbraw/zinc/47/62/36/570476236.db2.gz DWTOLWMPSMUXRS-ONEGZZNKSA-N 0 0 396.752 4.881 50 0 GJAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc(F)c(F)c1 ZINC000006559823 570476920 /nfs/dbraw/zinc/47/69/20/570476920.db2.gz JSKQXUPROUVGOX-JTQLQIEISA-N 0 0 377.441 4.923 50 0 GJAARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2C[C@H]1C ZINC000006559786 570477035 /nfs/dbraw/zinc/47/70/35/570477035.db2.gz OGGMYHLAKQNZSL-KGLIPLIRSA-N 0 0 396.541 4.740 50 0 GJAARN Cc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c2c1[C@H](C)CC2=O ZINC000011052944 570477988 /nfs/dbraw/zinc/47/79/88/570477988.db2.gz REKSUVGBHVQOOI-CMJOXMDJSA-N 0 0 383.463 4.716 50 0 GJAARN COc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000006578517 570481391 /nfs/dbraw/zinc/48/13/91/570481391.db2.gz MHEMMZPLXVSHPG-UHFFFAOYSA-N 0 0 396.424 4.689 50 0 GJAARN CC(=O)N1N=C(c2cc(C)nc3ccccc32)O[C@H]1c1ccc2ccccc2c1 ZINC000064567330 570482830 /nfs/dbraw/zinc/48/28/30/570482830.db2.gz UKRBNPOETKOKTJ-DEOSSOPVSA-N 0 0 381.435 4.936 50 0 GJAARN FC(F)(F)c1ccc(N2CCCC2)c(NCc2nc(-c3ccco3)no2)c1 ZINC000029981102 570483937 /nfs/dbraw/zinc/48/39/37/570483937.db2.gz KRYBFHWLLSBPKI-UHFFFAOYSA-N 0 0 378.354 4.561 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)c3cc(C)n(CC(F)(F)F)c3C)nc2c1 ZINC000006586692 570484323 /nfs/dbraw/zinc/48/43/23/570484323.db2.gz MJCAKEYEOKLQON-UHFFFAOYSA-N 0 0 397.422 4.527 50 0 GJAARN O=C(C[C@@H]1C=CCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181353 570486670 /nfs/dbraw/zinc/48/66/70/570486670.db2.gz KWFHNHINWLVEIN-QGZVFWFLSA-N 0 0 384.520 4.555 50 0 GJAARN O=S(=O)(c1nc(Nc2ccc(F)cc2F)sc1Cl)c1ccccc1 ZINC000006588623 570486684 /nfs/dbraw/zinc/48/66/84/570486684.db2.gz PWLRUHJPGRBQDR-UHFFFAOYSA-N 0 0 386.832 4.651 50 0 GJAARN O=C(c1cccs1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181507 570486733 /nfs/dbraw/zinc/48/67/33/570486733.db2.gz GQPVJZAIVNIEGO-UHFFFAOYSA-N 0 0 386.517 4.574 50 0 GJAARN COc1cccc(OC)c1C(=O)NCCc1ccc2oc3ccccc3c2c1 ZINC000006668563 570487000 /nfs/dbraw/zinc/48/70/00/570487000.db2.gz YDGUYNNDIHUKBW-UHFFFAOYSA-N 0 0 375.424 4.576 50 0 GJAARN COc1ccc(/C=C(/c2nc(-c3ccc(O)cc3)no2)c2nc(C)cs2)cc1 ZINC000006589997 570487098 /nfs/dbraw/zinc/48/70/98/570487098.db2.gz QMHXNBXMELIGBQ-WQRHYEAKSA-N 0 0 391.452 4.805 50 0 GJAARN Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c43)cc2)c1 ZINC000006718813 570489888 /nfs/dbraw/zinc/48/98/88/570489888.db2.gz MPVGZUGXCQEXTM-UHFFFAOYSA-N 0 0 375.407 4.904 50 0 investigational GJAARN Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000089537068 570492310 /nfs/dbraw/zinc/49/23/10/570492310.db2.gz PDUVZHZGKILMJZ-QGZVFWFLSA-N 0 0 382.460 4.901 50 0 GJAARN COC(=O)c1ccc(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 ZINC000005175979 570493841 /nfs/dbraw/zinc/49/38/41/570493841.db2.gz CXCAAOKHDITRSO-UHFFFAOYSA-N 0 0 392.502 4.881 50 0 GJAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Cl)cc3Cl)NC(=O)CN21 ZINC000005177162 570494192 /nfs/dbraw/zinc/49/41/92/570494192.db2.gz DRFPGIWXUBFWAY-SHBDEGQCSA-N 0 0 387.310 4.939 50 0 GJAARN C[C@@H](CNc1nc2ccccc2c2nc(-c3ccncc3)nn21)c1ccccc1 ZINC000006805485 570494562 /nfs/dbraw/zinc/49/45/62/570494562.db2.gz UAXUUJYHAHBUER-INIZCTEOSA-N 0 0 380.455 4.555 50 0 GJAARN O=C(Oc1ccc2ccccc2c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000006865061 570497364 /nfs/dbraw/zinc/49/73/64/570497364.db2.gz ABOOUJXCFYYLBG-UHFFFAOYSA-N 0 0 393.398 4.860 50 0 GJAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccccc4)c3)n2)cc1 ZINC000064610944 570497385 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CCOc1ccccc1CNC(=O)c1cc2c3c(ccc2Cl)O[C@H](CC)Cn13 ZINC000064816630 570552604 /nfs/dbraw/zinc/55/26/04/570552604.db2.gz CZZPHQPVDQXOET-OAHLLOKOSA-N 0 0 398.890 4.794 50 0 GJAARN Cc1ccccc1NC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000006724071 570552801 /nfs/dbraw/zinc/55/28/01/570552801.db2.gz VEKNOWNQVHMWRH-UHFFFAOYSA-N 0 0 386.333 4.569 50 0 GJAARN CCc1ccc(-c2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)n[nH]2)cc1 ZINC000005318631 570552894 /nfs/dbraw/zinc/55/28/94/570552894.db2.gz WZCQSNKJRUIPTC-CYBMUJFWSA-N 0 0 377.473 4.937 50 0 GJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(Br)c(C)c1 ZINC000035477668 570553710 /nfs/dbraw/zinc/55/37/10/570553710.db2.gz JBMXCSCCVRDXKC-UHFFFAOYSA-N 0 0 392.322 4.914 50 0 GJAARN O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)s1 ZINC000005324709 570554043 /nfs/dbraw/zinc/55/40/43/570554043.db2.gz XIDFWFIERTZGFX-UHFFFAOYSA-N 0 0 399.266 4.675 50 0 GJAARN O=c1[nH]n(C2CCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000006727453 570554214 /nfs/dbraw/zinc/55/42/14/570554214.db2.gz CYFQSEADTSEMSI-HNNXBMFYSA-N 0 0 398.315 4.785 50 0 GJAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000009427030 570558002 /nfs/dbraw/zinc/55/80/02/570558002.db2.gz LYOIKYQAINLOHP-UHFFFAOYSA-N 0 0 396.874 4.591 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cc(Cl)ccc2O)[nH]n1 ZINC000005343358 570558283 /nfs/dbraw/zinc/55/82/83/570558283.db2.gz PNTTXEILJMRAHG-UHFFFAOYSA-N 0 0 381.741 4.707 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C ZINC000006736975 570559265 /nfs/dbraw/zinc/55/92/65/570559265.db2.gz AOEVERBPOMFHHZ-UHFFFAOYSA-N 0 0 399.878 4.514 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)cc1C ZINC000006738695 570560722 /nfs/dbraw/zinc/56/07/22/570560722.db2.gz IUAOJLPVNSMDDW-NHCUHLMSSA-N 0 0 390.508 4.914 50 0 GJAARN COc1cccc(CN(c2ccccc2F)S(=O)(=O)c2cccc(C)c2)c1 ZINC000036248800 570562257 /nfs/dbraw/zinc/56/22/57/570562257.db2.gz APWKLNZGIXWFSH-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN CCn1c(C(=O)N(C)c2cccc(Cl)c2)cc2c1c1ccccc1oc2=O ZINC000064839096 570562590 /nfs/dbraw/zinc/56/25/90/570562590.db2.gz VZFVDOIUWKRZEG-UHFFFAOYSA-N 0 0 380.831 4.698 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1C ZINC000064847961 570563882 /nfs/dbraw/zinc/56/38/82/570563882.db2.gz WIRQYKQURCFHMC-KRWDZBQOSA-N 0 0 397.494 4.961 50 0 GJAARN Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2COc2ccccc2)c1 ZINC000005366507 570564502 /nfs/dbraw/zinc/56/45/02/570564502.db2.gz ITIWHCHGIJMLFX-SFHVURJKSA-N 0 0 389.451 4.758 50 0 GJAARN COc1cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc(OC)c1OC ZINC000036620363 570565724 /nfs/dbraw/zinc/56/57/24/570565724.db2.gz LAWLBUIOBBTLIK-INIZCTEOSA-N 0 0 390.867 4.735 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)cc1 ZINC000006748126 570566277 /nfs/dbraw/zinc/56/62/77/570566277.db2.gz ZIUULRLXVOJUGY-UHFFFAOYSA-N 0 0 391.496 4.727 50 0 GJAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)o2)cc1 ZINC000006751519 570569691 /nfs/dbraw/zinc/56/96/91/570569691.db2.gz FJCNEUXGOTUCMM-XDBZFTIUSA-N 0 0 395.524 4.570 50 0 GJAARN Cc1c(C(=O)NC2CCCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006751380 570569952 /nfs/dbraw/zinc/56/99/52/570569952.db2.gz PYBBXNHQIPDBDM-INIZCTEOSA-N 0 0 383.488 4.932 50 0 biogenic GJAARN CC(C)(C)C1CCC(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 ZINC000006751801 570570192 /nfs/dbraw/zinc/57/01/92/570570192.db2.gz ZCWDFOQOAIGDJK-UHFFFAOYSA-N 0 0 395.547 4.914 50 0 GJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(CC)cc1 ZINC000006752984 570571805 /nfs/dbraw/zinc/57/18/05/570571805.db2.gz ROWZOLYLKCJFJL-QFIPXVFZSA-N 0 0 375.472 4.690 50 0 GJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)cc1 ZINC000006752974 570571906 /nfs/dbraw/zinc/57/19/06/570571906.db2.gz NBEVBCAMEKMDKE-QFIPXVFZSA-N 0 0 391.471 4.526 50 0 GJAARN O=C(c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2)N1CCCCCC1 ZINC000032983826 570572051 /nfs/dbraw/zinc/57/20/51/570572051.db2.gz JKZXYOTZWIYWNE-XSFVSMFZSA-N 0 0 396.874 4.728 50 0 GJAARN Cc1cccc(OCCCn2c(CNC(=O)c3ccccc3)nc3ccccc32)c1 ZINC000006753129 570572329 /nfs/dbraw/zinc/57/23/29/570572329.db2.gz QRAWYDSGQHKWRZ-UHFFFAOYSA-N 0 0 399.494 4.744 50 0 GJAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011585669 570576616 /nfs/dbraw/zinc/57/66/16/570576616.db2.gz JEXWKEQVAZWWRC-OAHLLOKOSA-N 0 0 380.498 4.725 50 0 GJAARN CN(Cc1nc2ccccc2n1Cc1ccccc1Cl)C(=O)c1ccco1 ZINC000011667115 570578976 /nfs/dbraw/zinc/57/89/76/570578976.db2.gz YVYZALRETWATAH-UHFFFAOYSA-N 0 0 379.847 4.603 50 0 GJAARN COc1cccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246966 570581201 /nfs/dbraw/zinc/58/12/01/570581201.db2.gz HRKNBHNUZWHUFF-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN CC(C)c1nn(-c2cccc(Cl)c2)c(C(C)C)c1C(=O)NC[C@H]1CCCO1 ZINC000006770850 570581243 /nfs/dbraw/zinc/58/12/43/570581243.db2.gz NKFKFYCYXQQVCF-QGZVFWFLSA-N 0 0 389.927 4.681 50 0 GJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2cccc(C)c2)cc1 ZINC000036247614 570581695 /nfs/dbraw/zinc/58/16/95/570581695.db2.gz SPWRHWKGFLYWHQ-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN COc1cccc(S(=O)(=O)N(c2ccc(C)cc2)[C@@H](C)c2ccccc2)c1 ZINC000036248587 570583241 /nfs/dbraw/zinc/58/32/41/570583241.db2.gz BRXJGGURYRJWBB-SFHVURJKSA-N 0 0 381.497 4.960 50 0 GJAARN O=C(CCC(F)(F)F)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000011842720 570587305 /nfs/dbraw/zinc/58/73/05/570587305.db2.gz HVISBMREAKBQES-IBGZPJMESA-N 0 0 391.433 4.779 50 0 GJAARN Cc1sc2nc(C)nc(SCC(=O)NCCC3=CCCCC3)c2c1C ZINC000005428761 570591221 /nfs/dbraw/zinc/59/12/21/570591221.db2.gz QPUPYKRBNSTWNG-UHFFFAOYSA-N 0 0 375.563 4.715 50 0 GJAARN COc1ccc([C@@H](CC(=O)N(C)Cc2cnc3ccccn23)c2ccccc2)cc1 ZINC000039442129 570591444 /nfs/dbraw/zinc/59/14/44/570591444.db2.gz YYMGTIUFOHFDFQ-QHCPKHFHSA-N 0 0 399.494 4.524 50 0 GJAARN CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000005430194 570592059 /nfs/dbraw/zinc/59/20/59/570592059.db2.gz AATOPMWSEPTULQ-OAHLLOKOSA-N 0 0 390.512 4.734 50 0 GJAARN CCc1cccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)c1 ZINC000006785999 570592472 /nfs/dbraw/zinc/59/24/72/570592472.db2.gz LJXIZRATHHJQLJ-UHFFFAOYSA-N 0 0 393.450 4.815 50 0 GJAARN Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(Cc2ccccc2F)n1N ZINC000006787049 570592556 /nfs/dbraw/zinc/59/25/56/570592556.db2.gz RGFXDXZRLWZFSM-UHFFFAOYSA-N 0 0 398.551 4.928 50 0 GJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 ZINC000002651333 570593081 /nfs/dbraw/zinc/59/30/81/570593081.db2.gz VPXCTYLFCZSJMV-UHFFFAOYSA-N 0 0 382.769 4.738 50 0 GJAARN CCOc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2)cc1 ZINC000002656350 570593157 /nfs/dbraw/zinc/59/31/57/570593157.db2.gz BCULFCVAGRKCIT-FQEVSTJZSA-N 0 0 393.512 4.937 50 0 GJAARN CCc1cc2c(CSc3nnc(-c4ccccc4C)o3)cc(=O)oc2cc1O ZINC000005435043 570593600 /nfs/dbraw/zinc/59/36/00/570593600.db2.gz JVBAZCATXSRZDO-UHFFFAOYSA-N 0 0 394.452 4.712 50 0 GJAARN CCc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000002662076 570593720 /nfs/dbraw/zinc/59/37/20/570593720.db2.gz ZPIYFTXGRCDUBX-UHFFFAOYSA-N 0 0 386.495 4.551 50 0 GJAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)s1 ZINC000006788638 570594411 /nfs/dbraw/zinc/59/44/11/570594411.db2.gz WCTRQZOOKIPGPX-UHFFFAOYSA-N 0 0 392.456 4.599 50 0 GJAARN O=C(Nc1cccc(Cl)c1Cl)c1ccn(C(=O)c2cccc(Cl)c2)n1 ZINC000002748497 570594410 /nfs/dbraw/zinc/59/44/10/570594410.db2.gz DVOKCJPYCVSGBZ-UHFFFAOYSA-N 0 0 394.645 4.784 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)c(OC)c1 ZINC000005446506 570595360 /nfs/dbraw/zinc/59/53/60/570595360.db2.gz JTVHIFMYLQABEJ-FQEVSTJZSA-N 0 0 378.472 4.908 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3nc4ccccc4s3)n2)cc1OC ZINC000005446671 570595712 /nfs/dbraw/zinc/59/57/12/570595712.db2.gz HTSGJHYMVFXJKV-UHFFFAOYSA-N 0 0 397.481 4.689 50 0 GJAARN Cc1cc2c(cc1C)[C@@H](c1nc(-c3cccc(OCc4cccnc4)c3)no1)CO2 ZINC000225630934 570596324 /nfs/dbraw/zinc/59/63/24/570596324.db2.gz SYZYGVJLBKPQDU-NRFANRHFSA-N 0 0 399.450 4.852 50 0 GJAARN O=c1c2c(nc3n1CCCS3)c1ccccc1n2Cc1c(F)cccc1Cl ZINC000005451548 570596910 /nfs/dbraw/zinc/59/69/10/570596910.db2.gz CMRAVZNNVZYRMA-UHFFFAOYSA-N 0 0 399.878 4.688 50 0 GJAARN COc1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000005451551 570596987 /nfs/dbraw/zinc/59/69/87/570596987.db2.gz DABTVVZGZMGWQL-UHFFFAOYSA-N 0 0 385.832 4.866 50 0 GJAARN CCOCCCNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(C)cc1 ZINC000006798919 570598979 /nfs/dbraw/zinc/59/89/79/570598979.db2.gz NWJGHCSNFOXCJO-UHFFFAOYSA-N 0 0 398.528 4.793 50 0 GJAARN O=C(NCCc1csc(-c2cccs2)n1)c1ccccc1Br ZINC000005451475 570599284 /nfs/dbraw/zinc/59/92/84/570599284.db2.gz FENGXYALTKCLDN-UHFFFAOYSA-N 0 0 393.331 4.607 50 0 GJAARN COc1ccccc1CCC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000012053914 570601710 /nfs/dbraw/zinc/60/17/10/570601710.db2.gz NJIJWRQQHRDHGY-UHFFFAOYSA-N 0 0 396.874 4.521 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000003395200 570606235 /nfs/dbraw/zinc/60/62/35/570606235.db2.gz GNSCOHIFYQESOQ-UHFFFAOYSA-N 0 0 399.368 4.855 50 0 GJAARN CC[C@H](C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003393411 570606277 /nfs/dbraw/zinc/60/62/77/570606277.db2.gz HGIVZWWGBKETKC-AWEZNQCLSA-N 0 0 396.874 4.627 50 0 GJAARN CC(C)c1ccc(N(C(=O)CCC2CCCCC2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000006805828 570608862 /nfs/dbraw/zinc/60/88/62/570608862.db2.gz QKRLAMBABJSQNP-NRFANRHFSA-N 0 0 389.561 4.814 50 0 GJAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)Nc3ccccc3C)c(C)c12 ZINC000006809072 570611010 /nfs/dbraw/zinc/61/10/10/570611010.db2.gz NMBQBLUDSRPYAE-UHFFFAOYSA-N 0 0 378.520 4.991 50 0 GJAARN O=C(NCc1ccc(F)cc1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064956022 570612270 /nfs/dbraw/zinc/61/22/70/570612270.db2.gz ZBLJMJFSWAHPMF-UHFFFAOYSA-N 0 0 393.849 4.807 50 0 GJAARN O=C(NC[C@H]1CCCO1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005487225 570613866 /nfs/dbraw/zinc/61/38/66/570613866.db2.gz VIHPEDDLSVUTHX-MOPGFXCFSA-N 0 0 390.310 4.595 50 0 GJAARN CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169685677 570615222 /nfs/dbraw/zinc/61/52/22/570615222.db2.gz UKNAYVIYUHVVLA-REWPJTCUSA-N 0 0 389.430 4.862 50 0 GJAARN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000041120854 570615551 /nfs/dbraw/zinc/61/55/51/570615551.db2.gz NUUWUFIYSFAQBM-UHFFFAOYSA-N 0 0 378.925 4.686 50 0 GJAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3o2)cc1 ZINC000033004058 570618227 /nfs/dbraw/zinc/61/82/27/570618227.db2.gz WNCAWLRUDQFTGL-UHFFFAOYSA-N 0 0 388.423 4.829 50 0 GJAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1CCC(C)C ZINC000033004587 570618595 /nfs/dbraw/zinc/61/85/95/570618595.db2.gz OCOZLONRDDBIFL-UHFFFAOYSA-N 0 0 382.533 4.715 50 0 GJAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(C)cc3)cs2)c1C ZINC000033004537 570618685 /nfs/dbraw/zinc/61/86/85/570618685.db2.gz UOPCYUGFCCDQSD-UHFFFAOYSA-N 0 0 382.533 4.778 50 0 GJAARN COc1cc(NC(=O)Nc2ccc(C)c(C)c2)cc2sc(NC(C)=O)nc21 ZINC000033008513 570620037 /nfs/dbraw/zinc/62/00/37/570620037.db2.gz FPJJYIKFKIZGQK-UHFFFAOYSA-N 0 0 384.461 4.524 50 0 GJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccccc3OC)cc2C)s1 ZINC000033008257 570621322 /nfs/dbraw/zinc/62/13/22/570621322.db2.gz LHMNHEACSLMQAK-UHFFFAOYSA-N 0 0 384.461 4.606 50 0 GJAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc2c(cccc2F)s1 ZINC000006821545 570623615 /nfs/dbraw/zinc/62/36/15/570623615.db2.gz DRBAAYCMGCGPCC-UHFFFAOYSA-N 0 0 390.867 4.783 50 0 GJAARN O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc(Cl)c2c(c1)OCCO2 ZINC000006822024 570623643 /nfs/dbraw/zinc/62/36/43/570623643.db2.gz YVQQHYYAEFZWRK-UHFFFAOYSA-N 0 0 393.270 4.617 50 0 GJAARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CC[C@]1(CCOC1)O2 ZINC000005528112 570625280 /nfs/dbraw/zinc/62/52/80/570625280.db2.gz QETHKRDIJLVIMV-KSFWRXLCSA-N 0 0 378.553 4.699 50 0 biogenic GJAARN O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1I ZINC000043210120 570626232 /nfs/dbraw/zinc/62/62/32/570626232.db2.gz XLUSITJEPBWTQG-UHFFFAOYSA-N 0 0 377.008 4.829 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CN3CCCC3)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343825 570626632 /nfs/dbraw/zinc/62/66/32/570626632.db2.gz PFPJHPBTVKMRTP-JOCHJYFZSA-N 0 0 395.934 4.730 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3F)C2)cc1 ZINC000036345427 570627564 /nfs/dbraw/zinc/62/75/64/570627564.db2.gz JYORRLRIFRHUIA-QHCPKHFHSA-N 0 0 393.506 4.544 50 0 GJAARN CC1=Nc2ncnn2[C@H](c2ccc(C(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000004598079 570629646 /nfs/dbraw/zinc/62/96/46/570629646.db2.gz MWVDJEDZXCTDKA-HXUWFJFHSA-N 0 0 380.492 4.566 50 0 GJAARN Fc1cccc(F)c1C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000043804485 570630501 /nfs/dbraw/zinc/63/05/01/570630501.db2.gz CLUKUTIMRKWLKG-SECBINFHSA-N 0 0 391.727 4.637 50 0 GJAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000012273887 570631489 /nfs/dbraw/zinc/63/14/89/570631489.db2.gz LJWGHTGAKNXIMX-AUSIDOKSSA-N 0 0 390.439 4.929 50 0 GJAARN CCOc1ccc(-c2csc3c2ncn(CCC(C)C)c3=O)cc1OCC ZINC000044167005 570632010 /nfs/dbraw/zinc/63/20/10/570632010.db2.gz MPTOOOUBJUXQEW-UHFFFAOYSA-N 0 0 386.517 4.969 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989312 570632395 /nfs/dbraw/zinc/63/23/95/570632395.db2.gz DOSKFAOCLGSOPX-UHFFFAOYSA-N 0 0 396.853 4.789 50 0 GJAARN O=C(Nc1nc(-c2ccncc2)cs1)c1cc(Br)ccc1Cl ZINC000006831395 570634593 /nfs/dbraw/zinc/63/45/93/570634593.db2.gz VGQKRCFGLXPQBE-UHFFFAOYSA-N 0 0 394.681 4.873 50 0 GJAARN CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)C2CC2)cc1 ZINC000006836676 570636398 /nfs/dbraw/zinc/63/63/98/570636398.db2.gz DIEIMDPQVLNZNK-QFIPXVFZSA-N 0 0 380.513 4.937 50 0 GJAARN COc1ccccc1[C@H]1CC(=O)Nc2c1ncn2-c1ccc(Br)cc1 ZINC000036357066 570637437 /nfs/dbraw/zinc/63/74/37/570637437.db2.gz KUYOVPSUWOXTKB-OAHLLOKOSA-N 0 0 398.260 4.767 50 0 GJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)NCc3ccccc3)cs2)c1C ZINC000033019337 570639062 /nfs/dbraw/zinc/63/90/62/570639062.db2.gz SJTCLZVIWQMIIS-UHFFFAOYSA-N 0 0 396.560 4.537 50 0 GJAARN CCCCCNC(=O)c1sc(-c2nnn(-c3ccc(C)c(C)c3)c2C)nc1C ZINC000064998562 570640093 /nfs/dbraw/zinc/64/00/93/570640093.db2.gz KLYJZVVBERDIEZ-UHFFFAOYSA-N 0 0 397.548 4.544 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)c(OC)c1 ZINC000036359480 570640975 /nfs/dbraw/zinc/64/09/75/570640975.db2.gz 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O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1nccs1 ZINC000004927734 570649195 /nfs/dbraw/zinc/64/91/95/570649195.db2.gz OWNVDJHJSZMPAR-UHFFFAOYSA-N 0 0 392.509 4.931 50 0 GJAARN O=C(Nc1ccc(C2(C(=O)NCC3CCCCC3)CC2)cc1)c1ccc(F)cc1 ZINC000046141239 570650809 /nfs/dbraw/zinc/65/08/09/570650809.db2.gz WKDFGYZMLSRWDI-UHFFFAOYSA-N 0 0 394.490 4.806 50 0 GJAARN COc1ccc(OCc2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc1 ZINC000065032293 570652449 /nfs/dbraw/zinc/65/24/49/570652449.db2.gz WWYGRMISDKQEKH-UHFFFAOYSA-N 0 0 379.441 4.756 50 0 GJAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCc2ccccc21 ZINC000065031581 570652479 /nfs/dbraw/zinc/65/24/79/570652479.db2.gz XMHWKJRSNSTSAS-KRWDZBQOSA-N 0 0 395.462 4.653 50 0 GJAARN O=C(NC1CCC(O)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006865318 570654671 /nfs/dbraw/zinc/65/46/71/570654671.db2.gz GYGCKIIQBPCYQS-UHFFFAOYSA-N 0 0 380.875 4.589 50 0 GJAARN COc1cccc(CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000005574031 570656642 /nfs/dbraw/zinc/65/66/42/570656642.db2.gz 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ZINC000012433606 570661196 /nfs/dbraw/zinc/66/11/96/570661196.db2.gz AJNDVDDHLSLTTB-HNNXBMFYSA-N 0 0 379.426 4.647 50 0 GJAARN O=C1OC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000851322 570663063 /nfs/dbraw/zinc/66/30/63/570663063.db2.gz AYPRFCWNCPEEEI-JWGURIENSA-N 0 0 391.430 4.884 50 0 GJAARN Cc1cc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)ccc1F ZINC000169759786 570663673 /nfs/dbraw/zinc/66/36/73/570663673.db2.gz VPVHSFGKFUKVGH-IBGZPJMESA-N 0 0 385.826 4.508 50 0 GJAARN CC(C)(C)CC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2cccnc2)=NO1 ZINC000006872484 570664429 /nfs/dbraw/zinc/66/44/29/570664429.db2.gz JSOMFDXEBPXGIY-GOSISDBHSA-N 0 0 399.922 4.693 50 0 GJAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2cccc(F)c2)C(=O)CC(C)C)C1 ZINC000006873084 570664848 /nfs/dbraw/zinc/66/48/48/570664848.db2.gz CHACBLHSJNPJFF-HXUWFJFHSA-N 0 0 382.479 4.702 50 0 GJAARN O=C(NC1CCCC1)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065058000 570666675 /nfs/dbraw/zinc/66/66/75/570666675.db2.gz PLQUHQSDOXVNQA-UHFFFAOYSA-N 0 0 377.419 4.747 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(Cl)cc1Cl ZINC000013695900 570669223 /nfs/dbraw/zinc/66/92/23/570669223.db2.gz JETFIFOZNQLDBS-UHFFFAOYSA-N 0 0 375.255 4.545 50 0 GJAARN O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 ZINC000012420936 570672130 /nfs/dbraw/zinc/67/21/30/570672130.db2.gz MNWOCSUKATWQLW-KRWDZBQOSA-N 0 0 390.493 4.744 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3ccc4ccccc4n3)c2C)no1 ZINC000005627517 570675611 /nfs/dbraw/zinc/67/56/11/570675611.db2.gz RUBFGBKZHTZWAD-UHFFFAOYSA-N 0 0 377.469 4.914 50 0 GJAARN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000006881143 570676087 /nfs/dbraw/zinc/67/60/87/570676087.db2.gz SDZGICZGULTBNP-ABAIWWIYSA-N 0 0 397.327 4.537 50 0 GJAARN CCC(CC)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC(C)C)cc1 ZINC000005642616 570678729 /nfs/dbraw/zinc/67/87/29/570678729.db2.gz QPSJAJKJWQSERD-SFHVURJKSA-N 0 0 389.521 4.512 50 0 GJAARN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2Br)c1 ZINC000036395518 570679137 /nfs/dbraw/zinc/67/91/37/570679137.db2.gz HKRCSHSZNMFXSS-GFCCVEGCSA-N 0 0 380.257 4.866 50 0 GJAARN CCOc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000005657263 570679971 /nfs/dbraw/zinc/67/99/71/570679971.db2.gz SOGZWJIEQUPRBQ-UHFFFAOYSA-N 0 0 390.468 4.592 50 0 GJAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000005656655 570680112 /nfs/dbraw/zinc/68/01/12/570680112.db2.gz HZYAITZSRDYPON-UHFFFAOYSA-N 0 0 381.785 4.910 50 0 GJAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)CCS1 ZINC000219288398 570680725 /nfs/dbraw/zinc/68/07/25/570680725.db2.gz PBSHTGWUPGQFMJ-IBGZPJMESA-N 0 0 397.569 4.777 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000239038688 570681121 /nfs/dbraw/zinc/68/11/21/570681121.db2.gz DRJGQJLRFQWEKT-XPKDYRNWSA-N 0 0 396.413 4.541 50 0 GJAARN Cc1nn(C)cc1CN(C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012573440 570681991 /nfs/dbraw/zinc/68/19/91/570681991.db2.gz CQIGKRXUCVTIKD-UHFFFAOYSA-N 0 0 399.542 4.830 50 0 GJAARN Cc1c([C@@H](C)NC(=O)c2cc(C(C)C)no2)cnn1-c1cccc2ccccc21 ZINC000012577181 570682741 /nfs/dbraw/zinc/68/27/41/570682741.db2.gz GCSHPDIMWPOOQH-OAHLLOKOSA-N 0 0 388.471 4.936 50 0 GJAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]21 ZINC000239434025 570683628 /nfs/dbraw/zinc/68/36/28/570683628.db2.gz YXDAVHZJKJSZKJ-HVETUWLQSA-N 0 0 389.495 5.478 50 0 GJAARN Cc1cc(OCC(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)ccc1Cl ZINC000526052448 570683642 /nfs/dbraw/zinc/68/36/42/570683642.db2.gz OOZWYPKLKBBEIX-IBGZPJMESA-N 0 0 399.878 4.591 50 0 GJAARN COc1ccccc1CNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 ZINC000008936282 570684369 /nfs/dbraw/zinc/68/43/69/570684369.db2.gz YATJGEXRQMGYBV-UHFFFAOYSA-N 0 0 398.553 4.611 50 0 GJAARN COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)CCc1ccccc1 ZINC000016031655 570686324 /nfs/dbraw/zinc/68/63/24/570686324.db2.gz JNKGACXEIDEDAG-GVXSCFBNSA-N 0 0 393.527 4.523 50 0 biogenic GJAARN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000155571704 570687853 /nfs/dbraw/zinc/68/78/53/570687853.db2.gz ZMNRHCKEECTOQF-ZDUSSCGKSA-N 0 0 399.903 4.820 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cc(C)ccc3C)s2)cc1 ZINC000065085304 570688701 /nfs/dbraw/zinc/68/87/01/570688701.db2.gz JIVAIMARZWIFIV-UHFFFAOYSA-N 0 0 385.510 4.758 50 0 GJAARN Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000012613124 570691028 /nfs/dbraw/zinc/69/10/28/570691028.db2.gz UNOHTGJVAHSCML-FQEVSTJZSA-N 0 0 392.524 4.659 50 0 GJAARN CCc1ccc(NC(=O)CSc2nnc(C)n3c4ccsc4cc23)cc1 ZINC000006893821 570691660 /nfs/dbraw/zinc/69/16/60/570691660.db2.gz HJXXCNFQAQJQKI-UHFFFAOYSA-N 0 0 382.514 4.546 50 0 GJAARN CC[C@H](Sc1nncn2c3ccsc3cc12)C(=O)Nc1ccccc1C ZINC000006893804 570691694 /nfs/dbraw/zinc/69/16/94/570691694.db2.gz VYBVAJJRGXRAJM-INIZCTEOSA-N 0 0 382.514 4.762 50 0 GJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCCC3=CCCCC3)o2)cc1 ZINC000006895750 570694188 /nfs/dbraw/zinc/69/41/88/570694188.db2.gz YUJAVHHRDCDPEI-MHZLTWQESA-N 0 0 385.529 4.657 50 0 GJAARN COc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc1 ZINC000006899796 570694523 /nfs/dbraw/zinc/69/45/23/570694523.db2.gz VPCNQHTYLQLPOS-UHFFFAOYSA-N 0 0 379.851 4.838 50 0 GJAARN Cc1ccc2c(C[NH2+]Cc3ccco3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006901222 570696902 /nfs/dbraw/zinc/69/69/02/570696902.db2.gz KDRZZURKZXZTMV-UHFFFAOYSA-N 0 0 388.467 4.887 50 0 GJAARN Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccco2)cc1 ZINC000004358060 570697649 /nfs/dbraw/zinc/69/76/49/570697649.db2.gz ORDJQSYSQPPDCS-UHFFFAOYSA-N 0 0 398.532 4.573 50 0 GJAARN O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccc(Cl)c(Cl)c1 ZINC000004357964 570697756 /nfs/dbraw/zinc/69/77/56/570697756.db2.gz GDDXGVOZOMPASA-UHFFFAOYSA-N 0 0 380.256 4.774 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@H](C)C3)c2Nc2cccc(F)c2)n1 ZINC000065114536 570699828 /nfs/dbraw/zinc/69/98/28/570699828.db2.gz FLUKVJYSDMVIOR-AWEZNQCLSA-N 0 0 378.451 4.693 50 0 GJAARN O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2c(=O)[nH]c3ccccc3c2O1 ZINC000004626183 570703762 /nfs/dbraw/zinc/70/37/62/570703762.db2.gz UNZNISKXWBWGPY-HXUWFJFHSA-N 0 0 397.430 4.548 50 0 GJAARN Cc1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)ccc1N(C)C ZINC000060369788 570703779 /nfs/dbraw/zinc/70/37/79/570703779.db2.gz PGAPBDJEMQWDHJ-UHFFFAOYSA-N 0 0 378.476 4.661 50 0 GJAARN O=C(NC[C@@H]1CCCN(C(=O)C2CCCCCC2)C1)c1cccc2ccccc21 ZINC000012716077 570704441 /nfs/dbraw/zinc/70/44/41/570704441.db2.gz FTPHVMIBTCLNPP-IBGZPJMESA-N 0 0 392.543 4.779 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3cccc(C)c3)C2)cc1 ZINC000065136130 570707216 /nfs/dbraw/zinc/70/72/16/570707216.db2.gz OSLBHVZQZFVUPT-FQEVSTJZSA-N 0 0 393.531 4.644 50 0 GJAARN CCCCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)c2cccnc12 ZINC000032623692 570708030 /nfs/dbraw/zinc/70/80/30/570708030.db2.gz QKDAZEKLTWCWJB-UHFFFAOYSA-N 0 0 388.423 4.772 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(C)s2)cs1 ZINC000065138148 570708367 /nfs/dbraw/zinc/70/83/67/570708367.db2.gz ODTXAKDHPPZIGY-UHFFFAOYSA-N 0 0 398.962 4.620 50 0 GJAARN Cc1cccc(COc2c(Br)cc(CO)cc2Br)c1 ZINC000000664607 570708596 /nfs/dbraw/zinc/70/85/96/570708596.db2.gz VZMLKDBDRBKEIC-UHFFFAOYSA-N 0 0 386.083 4.591 50 0 GJAARN CCn1c(=O)oc2cc(-c3noc(-c4cc(SC)ccc4Cl)n3)ccc21 ZINC000065138255 570708784 /nfs/dbraw/zinc/70/87/84/570708784.db2.gz ZYXXYGOSUNKGFZ-UHFFFAOYSA-N 0 0 387.848 4.707 50 0 GJAARN Cc1nc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1Br ZINC000000679567 570708902 /nfs/dbraw/zinc/70/89/02/570708902.db2.gz AYMBPQPGFCUBFR-UHFFFAOYSA-N 0 0 397.272 4.984 50 0 GJAARN Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000058156998 570711471 /nfs/dbraw/zinc/71/14/71/570711471.db2.gz QIKTVHHGRZTWKA-KRWDZBQOSA-N 0 0 381.501 4.541 50 0 GJAARN CSc1ncc(C(=O)NCc2ccc(OC(C)C)cc2)c(-c2ccccc2)n1 ZINC000006938233 570712951 /nfs/dbraw/zinc/71/29/51/570712951.db2.gz HFXNFKJTAJLQOI-UHFFFAOYSA-N 0 0 393.512 4.583 50 0 GJAARN CCn1c(SCCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000025067195 570713202 /nfs/dbraw/zinc/71/32/02/570713202.db2.gz BWEKRLQIHYJDMO-UHFFFAOYSA-N 0 0 392.956 4.550 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000006939804 570713367 /nfs/dbraw/zinc/71/33/67/570713367.db2.gz QOIDIUAEVHDWSE-UHFFFAOYSA-N 0 0 380.810 4.708 50 0 GJAARN Clc1ccc(Nc2nc3nonc3nc2NC2C3CC4CC(C3)CC2C4)cc1 ZINC000001194512 570713801 /nfs/dbraw/zinc/71/38/01/570713801.db2.gz BKNQRZWBMNFENG-UHFFFAOYSA-N 0 0 396.882 4.646 50 0 GJAARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccccc2)c[nH]1 ZINC000058173905 570715932 /nfs/dbraw/zinc/71/59/32/570715932.db2.gz VWIRUQUXVYFRBN-INIZCTEOSA-N 0 0 386.455 4.542 50 0 GJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)[C@H](C)c2ccccc2)cc1 ZINC000012795728 570716208 /nfs/dbraw/zinc/71/62/08/570716208.db2.gz FUZSKECRWSOIOH-MRXNPFEDSA-N 0 0 380.517 4.526 50 0 GJAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)c1c[nH]c2ccccc12 ZINC000058175378 570716452 /nfs/dbraw/zinc/71/64/52/570716452.db2.gz PRWXDWCIPLQTNF-UHFFFAOYSA-N 0 0 375.497 4.840 50 0 GJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cncc(Br)c1 ZINC000001791426 570717047 /nfs/dbraw/zinc/71/70/47/570717047.db2.gz BGFXVISTQIZFDR-UHFFFAOYSA-N 0 0 394.681 4.873 50 0 GJAARN Cc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065153983 570717276 /nfs/dbraw/zinc/71/72/76/570717276.db2.gz FFARANQEDZNIRB-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN COc1ccc(C(=O)CCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000006947039 570717634 /nfs/dbraw/zinc/71/76/34/570717634.db2.gz XHMKQRMPHINVLU-QHCPKHFHSA-N 0 0 387.479 4.758 50 0 biogenic GJAARN COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1OC ZINC000006948556 570718591 /nfs/dbraw/zinc/71/85/91/570718591.db2.gz BFIVNJCBFFLAOY-AWEZNQCLSA-N 0 0 398.484 4.542 50 0 GJAARN CC(C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(-c2ccncc2)no1 ZINC000058226821 570721534 /nfs/dbraw/zinc/72/15/34/570721534.db2.gz BBBLFLRYVVKVSO-SFHVURJKSA-N 0 0 396.516 4.589 50 0 GJAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000058246318 570722545 /nfs/dbraw/zinc/72/25/45/570722545.db2.gz UBMTYRSRCOADRV-UHFFFAOYSA-N 0 0 387.439 4.719 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)c1 ZINC000065184726 570722978 /nfs/dbraw/zinc/72/29/78/570722978.db2.gz RNBMYUDFLJAPBS-UHFFFAOYSA-N 0 0 387.436 4.604 50 0 GJAARN Cc1cc(C(=O)CCC(=O)OCc2cc(-c3cccs3)on2)c(C)s1 ZINC000019357317 570723281 /nfs/dbraw/zinc/72/32/81/570723281.db2.gz DSKPBWBDIJTYRZ-UHFFFAOYSA-N 0 0 375.471 4.788 50 0 GJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000003204546 570724233 /nfs/dbraw/zinc/72/42/33/570724233.db2.gz SSMJXCGMOMMLTE-SNVBAGLBSA-N 0 0 386.300 4.623 50 0 GJAARN Cc1[nH]c2ccc(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)cc2c1C ZINC000058278253 570724500 /nfs/dbraw/zinc/72/45/00/570724500.db2.gz DOQYEZLWCBRZCN-UHFFFAOYSA-N 0 0 375.472 4.581 50 0 GJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)Nc1ccc(C)cc1 ZINC000065194864 570726242 /nfs/dbraw/zinc/72/62/42/570726242.db2.gz ZNVZVMXCEKTERC-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000046651267 570726481 /nfs/dbraw/zinc/72/64/81/570726481.db2.gz IQHWNHKPFLUKFI-HOTGVXAUSA-N 0 0 396.512 4.532 50 0 GJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cc(C)cc(C)c3)nn2)s1 ZINC000004392172 570727839 /nfs/dbraw/zinc/72/78/39/570727839.db2.gz JUVPESHYERJEFM-UHFFFAOYSA-N 0 0 384.530 4.565 50 0 GJAARN CN(C)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 ZINC000004631033 570728612 /nfs/dbraw/zinc/72/86/12/570728612.db2.gz MYEBOZJJBQEORJ-UHFFFAOYSA-N 0 0 398.098 4.530 50 0 GJAARN O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1CCCCCC1 ZINC000058369493 570729269 /nfs/dbraw/zinc/72/92/69/570729269.db2.gz KYQKBJFOQIQNEW-UHFFFAOYSA-N 0 0 375.266 4.653 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000006987644 570729946 /nfs/dbraw/zinc/72/99/46/570729946.db2.gz XQJAPQNLYNRXTJ-UHFFFAOYSA-N 0 0 384.479 4.974 50 0 GJAARN O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1csc(-c2ncccn2)n1 ZINC000058394171 570730787 /nfs/dbraw/zinc/73/07/87/570730787.db2.gz FRRBRNXTCKPPCX-UHFFFAOYSA-N 0 0 386.647 4.780 50 0 GJAARN O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccccc1 ZINC000004389745 570732651 /nfs/dbraw/zinc/73/26/51/570732651.db2.gz FHIVLFNLYZVNJC-UHFFFAOYSA-N 0 0 388.448 4.641 50 0 GJAARN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012974705 570733995 /nfs/dbraw/zinc/73/39/95/570733995.db2.gz SPUXZSIYYKWGDR-MRXNPFEDSA-N 0 0 380.513 4.778 50 0 GJAARN CCc1nn2c(CNC(=O)c3ccc(C)c(C)c3)c(-c3ccccc3)nc2s1 ZINC000065217788 570734310 /nfs/dbraw/zinc/73/43/10/570734310.db2.gz WHCKENALEZEIQI-UHFFFAOYSA-N 0 0 390.512 4.567 50 0 GJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@@H](CC)C2 ZINC000012979074 570735513 /nfs/dbraw/zinc/73/55/13/570735513.db2.gz IORJZLNFYKWCIU-OAHLLOKOSA-N 0 0 384.545 4.536 50 0 GJAARN O=C(CCc1nc(-c2ccccc2)no1)OCc1c(Cl)cccc1Cl ZINC000007004478 570736024 /nfs/dbraw/zinc/73/60/24/570736024.db2.gz JWMZDVFYEYWHEF-UHFFFAOYSA-N 0 0 377.227 4.719 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1ccc(F)cc1F ZINC000007005665 570736476 /nfs/dbraw/zinc/73/64/76/570736476.db2.gz MDIUSXSSBWGVBA-UHFFFAOYSA-N 0 0 392.409 4.810 50 0 GJAARN CC(C)Cn1cc(NC(=O)NCCc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000007000879 570736808 /nfs/dbraw/zinc/73/68/08/570736808.db2.gz NBORDABFEIFAKS-UHFFFAOYSA-N 0 0 397.906 4.675 50 0 GJAARN Cc1cccc(-c2nn(CN(Cc3ccc(F)cc3)C3CC3)c(=S)n2C)c1 ZINC000012983230 570736910 /nfs/dbraw/zinc/73/69/10/570736910.db2.gz AKOCFBQTOCRVIL-UHFFFAOYSA-N 0 0 382.508 4.688 50 0 GJAARN Cc1ccc(C)c(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000000952109 570737491 /nfs/dbraw/zinc/73/74/91/570737491.db2.gz SYIYVKXMGRGQGC-SOFGYWHQSA-N 0 0 378.255 4.805 50 0 GJAARN CC(C)c1ccc(NC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)cc1 ZINC000007006110 570738516 /nfs/dbraw/zinc/73/85/16/570738516.db2.gz ICQOGMMWVUJJPD-UHFFFAOYSA-N 0 0 395.532 4.695 50 0 GJAARN CCC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000976178 570741669 /nfs/dbraw/zinc/74/16/69/570741669.db2.gz CTIUTTUVBGMKST-UHFFFAOYSA-N 0 0 393.512 4.948 50 0 GJAARN Cc1ccc(C)c(Cn2c(CCNC(=O)Cc3ccccc3)nc3ccccc32)c1 ZINC000013017364 570741900 /nfs/dbraw/zinc/74/19/00/570741900.db2.gz ABETZKNPQPMFJW-UHFFFAOYSA-N 0 0 397.522 4.603 50 0 GJAARN COc1ccc2nc(Cl)c([C@@H]3Nc4sc5c(c4C(=O)N3)CCCC5)cc2c1 ZINC000000976992 570742120 /nfs/dbraw/zinc/74/21/20/570742120.db2.gz ZAOKWVXCVDGNSH-SFHVURJKSA-N 0 0 399.903 4.691 50 0 GJAARN COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2c(ccc4ccccc42)O3)cc1OC ZINC000585148658 570742525 /nfs/dbraw/zinc/74/25/25/570742525.db2.gz JLTIAXODPLJWFG-UHFFFAOYSA-N 0 0 386.407 4.716 50 0 GJAARN Cc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000013041194 570743540 /nfs/dbraw/zinc/74/35/40/570743540.db2.gz MQIYSUHHDKYVAW-UHFFFAOYSA-N 0 0 397.828 4.917 50 0 GJAARN Cn1cc(-c2nc(C(=O)Nc3ccc(Cl)cc3F)cs2)c2cccnc21 ZINC000065241043 570744963 /nfs/dbraw/zinc/74/49/63/570744963.db2.gz LMSVBTDOBCGZKA-UHFFFAOYSA-N 0 0 386.839 4.742 50 0 GJAARN CN1c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2Sc2ncccc2C1=O ZINC000065241301 570745406 /nfs/dbraw/zinc/74/54/06/570745406.db2.gz LVVHSZKGOMGWCG-UHFFFAOYSA-N 0 0 395.871 4.729 50 0 GJAARN Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000001001102 570745562 /nfs/dbraw/zinc/74/55/62/570745562.db2.gz JOMIDJIZALJVIQ-LJQANCHMSA-N 0 0 390.491 4.567 50 0 GJAARN CCOc1ccc(OCCn2nc(-c3cccs3)c3ccccc3c2=O)cc1 ZINC000007024047 570746762 /nfs/dbraw/zinc/74/67/62/570746762.db2.gz GEXCLFRPDPOUDS-UHFFFAOYSA-N 0 0 392.480 4.603 50 0 GJAARN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000001011138 570746905 /nfs/dbraw/zinc/74/69/05/570746905.db2.gz ZPFQLXBPMQZWRJ-CXUHLZMHSA-N 0 0 377.824 4.724 50 0 GJAARN C[C@H](C[C@@H](OCc1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21 ZINC000001022327 570747329 /nfs/dbraw/zinc/74/73/29/570747329.db2.gz AMSBUBOVKJWMOA-UZUQRXQVSA-N 0 0 398.470 4.543 50 0 GJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N[C@@H](C)Cc1ccco1 ZINC000033059964 570747460 /nfs/dbraw/zinc/74/74/60/570747460.db2.gz DAGPFEWAJOJTPZ-ZDUSSCGKSA-N 0 0 379.485 4.658 50 0 GJAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615741 570751245 /nfs/dbraw/zinc/75/12/45/570751245.db2.gz RNXIJODQEJLJNY-UHFFFAOYSA-N 0 0 381.794 4.642 50 0 GJAARN O=C(CSc1ccncc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254896 570752481 /nfs/dbraw/zinc/75/24/81/570752481.db2.gz IZCKGGORKVYMHP-UHFFFAOYSA-N 0 0 393.537 4.764 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)CCCNC(=O)C(C)(C)C)ccc21 ZINC000025454463 570752884 /nfs/dbraw/zinc/75/28/84/570752884.db2.gz XLSQMBHTYHDIAS-UHFFFAOYSA-N 0 0 379.504 4.695 50 0 GJAARN Cc1cc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCCC3)c(C)o1 ZINC000013329256 570753505 /nfs/dbraw/zinc/75/35/05/570753505.db2.gz IYJYPNFIQXKACG-UHFFFAOYSA-N 0 0 386.517 4.715 50 0 GJAARN COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000013331391 570753545 /nfs/dbraw/zinc/75/35/45/570753545.db2.gz BHCOBGLXNQLBBB-UHFFFAOYSA-N 0 0 394.475 4.518 50 0 GJAARN C[S@@](=O)(=NC(=O)c1cccnc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000013466105 570754964 /nfs/dbraw/zinc/75/49/64/570754964.db2.gz ISJMWXVLCLFEHG-SANMLTNESA-N 0 0 386.860 4.824 50 0 GJAARN O=C(Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1)[C@@H]1CCOC1 ZINC000206892492 570755037 /nfs/dbraw/zinc/75/50/37/570755037.db2.gz FBYIIQUIFOJEJK-CQSZACIVSA-N 0 0 383.448 4.668 50 0 GJAARN C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1cn2ccccc2n1 ZINC000206897441 570755092 /nfs/dbraw/zinc/75/50/92/570755092.db2.gz UJRJYHBWJZSDEZ-HNNXBMFYSA-N 0 0 375.403 4.546 50 0 GJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3Br)c12 ZINC000036617385 570755588 /nfs/dbraw/zinc/75/55/88/570755588.db2.gz HYZVYUPWHKSQMO-UHFFFAOYSA-N 0 0 398.216 4.806 50 0 GJAARN COc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)c3c(C)noc3n2)cc1 ZINC000036617478 570755649 /nfs/dbraw/zinc/75/56/49/570755649.db2.gz QSRFRDGVUPTAAQ-UHFFFAOYSA-N 0 0 379.460 4.612 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1)c1ccc2ccccc2c1 ZINC000007036763 570757137 /nfs/dbraw/zinc/75/71/37/570757137.db2.gz VPNXZVZFUVVZKU-UHFFFAOYSA-N 0 0 385.448 4.710 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000064984140 570757376 /nfs/dbraw/zinc/75/73/76/570757376.db2.gz WZVVITCHXWKTFM-HNNXBMFYSA-N 0 0 385.938 4.716 50 0 GJAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)on1 ZINC000064985176 570757637 /nfs/dbraw/zinc/75/76/37/570757637.db2.gz LNVDXPILENPZCA-HNNXBMFYSA-N 0 0 378.270 4.677 50 0 GJAARN C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000008619656 570763234 /nfs/dbraw/zinc/76/32/34/570763234.db2.gz KTHQGYKDJBIKSI-KRWDZBQOSA-N 0 0 391.540 4.714 50 0 GJAARN Cc1noc(C)c1C12C[C@@H]3C[C@@H](CC(CC(=O)Nc4cc(C)ccn4)(C3)C1)C2 ZINC000013640794 570765550 /nfs/dbraw/zinc/76/55/50/570765550.db2.gz JWYMCOIHBCICNK-WVKNIADZSA-N 0 0 379.504 4.862 50 0 GJAARN Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)c1 ZINC000013647397 570766415 /nfs/dbraw/zinc/76/64/15/570766415.db2.gz DWSMQSZPKNPWKL-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN Cc1ccc(NC(=S)Nc2cccc(I)c2)cc1C ZINC000003295845 570767192 /nfs/dbraw/zinc/76/71/92/570767192.db2.gz ZCBRIQORMCMIOR-UHFFFAOYSA-N 0 0 382.270 4.717 50 0 GJAARN CCc1ccccc1-c1cc([C@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)ccn1 ZINC000065463443 570769415 /nfs/dbraw/zinc/76/94/15/570769415.db2.gz BVPXUXNURNIQIJ-QFIPXVFZSA-N 0 0 386.495 4.999 50 0 GJAARN CC(=O)Nc1ccc(OC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000032727647 570769477 /nfs/dbraw/zinc/76/94/77/570769477.db2.gz LAOXQUVWYWDHNZ-UHFFFAOYSA-N 0 0 379.387 4.582 50 0 GJAARN COc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCCO2)cc1OC ZINC000065468953 570770190 /nfs/dbraw/zinc/77/01/90/570770190.db2.gz NMGFYQIQIYMUDC-LJQANCHMSA-N 0 0 378.472 4.803 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000021944798 570772836 /nfs/dbraw/zinc/77/28/36/570772836.db2.gz UXBJGQZTLNVDIF-UHFFFAOYSA-N 0 0 383.451 4.865 50 0 GJAARN Cc1cccc(-c2cc(NC(=O)COc3ccccc3)n(-c3ccccc3)n2)c1 ZINC000021944836 570772989 /nfs/dbraw/zinc/77/29/89/570772989.db2.gz HPAOGVSBJBHITI-UHFFFAOYSA-N 0 0 383.451 4.865 50 0 GJAARN Clc1ccc2cc([C@@H]3CC(c4nc5ccccc5[nH]4)=NN3)c(Cl)nc2c1 ZINC000096602217 570774744 /nfs/dbraw/zinc/77/47/44/570774744.db2.gz ARUARFIMMABPQJ-INIZCTEOSA-N 0 0 382.254 4.857 50 0 GJAARN Cc1ccc(C)n1-c1nc2ccc(C(=O)N[C@H](C)Cc3ccco3)cc2s1 ZINC000013692395 570776389 /nfs/dbraw/zinc/77/63/89/570776389.db2.gz JISOPDDUCVLBHE-CYBMUJFWSA-N 0 0 379.485 4.658 50 0 GJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000007060785 570777278 /nfs/dbraw/zinc/77/72/78/570777278.db2.gz WQPYZTUIJLHLOW-HXUWFJFHSA-N 0 0 378.859 4.840 50 0 GJAARN O=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccc(Cl)cc1 ZINC000065272556 570778860 /nfs/dbraw/zinc/77/88/60/570778860.db2.gz DMKQKGJEAJYRBH-UHFFFAOYSA-N 0 0 398.894 4.562 50 0 GJAARN c1[nH]nc(C2CCCCC2)c1-c1c(-c2ccccc2)ncn1Cc1ccncn1 ZINC000067513732 570781105 /nfs/dbraw/zinc/78/11/05/570781105.db2.gz NUEMJXUDSIMYRQ-UHFFFAOYSA-N 0 0 384.487 4.826 50 0 GJAARN COc1ccc(-c2nc(CC(=O)N[C@H](C)CCCC(C)C)cs2)cc1OC ZINC000013726727 570781757 /nfs/dbraw/zinc/78/17/57/570781757.db2.gz KCCFMFIIPDWEMC-OAHLLOKOSA-N 0 0 390.549 4.701 50 0 GJAARN O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)C1(c2ccccc2)CC1 ZINC000067604146 570783358 /nfs/dbraw/zinc/78/33/58/570783358.db2.gz PWKSGKYXJVFHRL-UHFFFAOYSA-N 0 0 380.394 4.500 50 0 GJAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O ZINC000007087448 570783904 /nfs/dbraw/zinc/78/39/04/570783904.db2.gz XZTNALNZTSOERV-GOSISDBHSA-N 0 0 395.311 4.553 50 0 GJAARN Cn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1C1CC1 ZINC000007087241 570783955 /nfs/dbraw/zinc/78/39/55/570783955.db2.gz FTLWCVCIPIWDEI-UHFFFAOYSA-N 0 0 387.512 4.838 50 0 GJAARN COc1ccc(NC(=O)c2c(C)oc3c2CN(Cc2ccccc2)CC3)cc1F ZINC000065289657 570785434 /nfs/dbraw/zinc/78/54/34/570785434.db2.gz YPVBDIUXGAXPEV-UHFFFAOYSA-N 0 0 394.446 4.546 50 0 GJAARN Cc1ccsc1-c1nc(CN(C)Cc2cc(-c3ccncc3)no2)c(C)o1 ZINC000067675606 570786000 /nfs/dbraw/zinc/78/60/00/570786000.db2.gz GJANGHDXYNOCPH-UHFFFAOYSA-N 0 0 380.473 4.702 50 0 GJAARN CCCSCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067741684 570789138 /nfs/dbraw/zinc/78/91/38/570789138.db2.gz QNUVYYLCUAJOPY-UHFFFAOYSA-N 0 0 391.920 4.577 50 0 GJAARN FC(F)(F)c1cnc(OCn2cc(-c3ccc(Cl)cc3)nn2)c(Cl)c1 ZINC000261495036 570789981 /nfs/dbraw/zinc/78/99/81/570789981.db2.gz SOSGSKUSHZPWIM-UHFFFAOYSA-N 0 0 389.164 4.702 50 0 GJAARN O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1F ZINC000004466219 570790237 /nfs/dbraw/zinc/79/02/37/570790237.db2.gz FRRXCUUSZLJLAA-WOJGMQOQSA-N 0 0 396.805 4.832 50 0 GJAARN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)c3cc(C(C)C)no3)CC2)c1 ZINC000067771795 570790515 /nfs/dbraw/zinc/79/05/15/570790515.db2.gz PRPSJDGOYMLLBX-UHFFFAOYSA-N 0 0 378.476 4.516 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000004469425 570790719 /nfs/dbraw/zinc/79/07/19/570790719.db2.gz PJURFBCOOGSJLB-UHFFFAOYSA-N 0 0 399.535 4.517 50 0 GJAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219465262 570792697 /nfs/dbraw/zinc/79/26/97/570792697.db2.gz JJZZFVVAMQYJDK-MRXNPFEDSA-N 0 0 375.544 4.520 50 0 GJAARN Cc1cccc(Cc2c(C)nc(SCc3ccc(F)cc3F)n(C)c2=O)c1 ZINC000004461058 570793407 /nfs/dbraw/zinc/79/34/07/570793407.db2.gz OAOLSMQOOCODFF-UHFFFAOYSA-N 0 0 386.467 4.558 50 0 GJAARN O=C([C@@H]1CC12CCC2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067867358 570794734 /nfs/dbraw/zinc/79/47/34/570794734.db2.gz YDFRVBIDEWZSRJ-SFHVURJKSA-N 0 0 383.875 4.624 50 0 GJAARN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000005825428 570795171 /nfs/dbraw/zinc/79/51/71/570795171.db2.gz MSXPAEFWLFZBIA-KRWDZBQOSA-N 0 0 379.287 4.695 50 0 GJAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000005825525 570795183 /nfs/dbraw/zinc/79/51/83/570795183.db2.gz NEIVYQFOFAHMBG-UHFFFAOYSA-N 0 0 389.782 4.500 50 0 GJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(Br)s1 ZINC000024391602 570796074 /nfs/dbraw/zinc/79/60/74/570796074.db2.gz FRHSCAPROCBJPG-UHFFFAOYSA-N 0 0 393.350 4.773 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc(C)n1 ZINC000011613257 570796299 /nfs/dbraw/zinc/79/62/99/570796299.db2.gz RJLIGNPODZECHY-UHFFFAOYSA-N 0 0 382.851 4.833 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)Cc3csc(-n4cccc4)n3)c2)cs1 ZINC000036708382 570796687 /nfs/dbraw/zinc/79/66/87/570796687.db2.gz GILIMVMQFMEDFF-UHFFFAOYSA-N 0 0 380.498 4.547 50 0 GJAARN Clc1ccc2[nH]c(Cn3cnc(-c4ccccc4)c3[C@@H]3CCOC3)nc2c1 ZINC000067909035 570796661 /nfs/dbraw/zinc/79/66/61/570796661.db2.gz JAWMHFSKGWVZSV-OAHLLOKOSA-N 0 0 378.863 4.632 50 0 GJAARN CCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000007125649 570796997 /nfs/dbraw/zinc/79/69/97/570796997.db2.gz SSIIDKYCCIKQCF-INIZCTEOSA-N 0 0 393.512 4.892 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000036709078 570797900 /nfs/dbraw/zinc/79/79/00/570797900.db2.gz AQGFHZQOWVAIOW-UHFFFAOYSA-N 0 0 388.393 4.993 50 0 GJAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000065322206 570800103 /nfs/dbraw/zinc/80/01/03/570800103.db2.gz SMQLOQNOIBVACI-UHFFFAOYSA-N 0 0 390.531 4.993 50 0 GJAARN C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000007129983 570800263 /nfs/dbraw/zinc/80/02/63/570800263.db2.gz OCMAFIKYGVCLRV-UZLBHIALSA-N 0 0 391.540 4.762 50 0 GJAARN C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005880898 570800818 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Cc1cc(C(=O)COC(=O)c2csc3c2CCCC3)c(C)n1Cc1ccco1 ZINC000005938420 570805868 /nfs/dbraw/zinc/80/58/68/570805868.db2.gz DJHINDCOMIIRSD-UHFFFAOYSA-N 0 0 397.496 4.726 50 0 GJAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1Cl ZINC000032776198 570807106 /nfs/dbraw/zinc/80/71/06/570807106.db2.gz CHJIUKPMPDYCIG-NSHDSACASA-N 0 0 398.684 4.826 50 0 GJAARN O=C(CSc1ncnc2ccccc21)N(Cc1ccco1)Cc1ccccc1 ZINC000007151811 570807578 /nfs/dbraw/zinc/80/75/78/570807578.db2.gz ALPAJUYNUSHQEW-UHFFFAOYSA-N 0 0 389.480 4.544 50 0 GJAARN O=C(Nc1ccccc1)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000005947382 570807726 /nfs/dbraw/zinc/80/77/26/570807726.db2.gz XDXXNFSNDKMXPK-UHFFFAOYSA-N 0 0 388.254 4.847 50 0 GJAARN Cc1nc(-c2ccc(NS(=O)(=O)C3=Cc4ccccc4CC3)cc2)cs1 ZINC000032780577 570808207 /nfs/dbraw/zinc/80/82/07/570808207.db2.gz PNIPNOTVZNHDRJ-UHFFFAOYSA-N 0 0 382.510 4.848 50 0 GJAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(CC)CC)cc1 ZINC000005965375 570809534 /nfs/dbraw/zinc/80/95/34/570809534.db2.gz 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ZINC000006035341 570815728 /nfs/dbraw/zinc/81/57/28/570815728.db2.gz ZNZUZIRQEHCHLP-UHFFFAOYSA-N 0 0 398.557 4.991 50 0 GJAARN c1csc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)c1 ZINC000007218605 570816392 /nfs/dbraw/zinc/81/63/92/570816392.db2.gz NYKVURDLHSPDEX-UHFFFAOYSA-N 0 0 395.513 4.608 50 0 GJAARN CCc1ccccc1NC(=O)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127864 570817264 /nfs/dbraw/zinc/81/72/64/570817264.db2.gz DOFIGSFFDRKFML-QHCPKHFHSA-N 0 0 399.494 4.701 50 0 GJAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)NCCc4ccccc4)cc32)cc1 ZINC000033128691 570817884 /nfs/dbraw/zinc/81/78/84/570817884.db2.gz CQYOSSHGNVUZBK-UHFFFAOYSA-N 0 0 399.494 4.562 50 0 GJAARN CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000101351695 570819781 /nfs/dbraw/zinc/81/97/81/570819781.db2.gz RQDCNBCALOYSQP-SFHVURJKSA-N 0 0 381.863 4.663 50 0 GJAARN COc1ccc(-c2nnc([C@@H](C)Sc3nccn3Cc3ccccc3)o2)cc1 ZINC000012506803 570822247 /nfs/dbraw/zinc/82/22/47/570822247.db2.gz QLRIQFQJQHNIKU-OAHLLOKOSA-N 0 0 392.484 4.843 50 0 GJAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2o1 ZINC000012515781 570825252 /nfs/dbraw/zinc/82/52/52/570825252.db2.gz BLQUOATVOJUPAZ-OAHLLOKOSA-N 0 0 378.476 4.566 50 0 GJAARN Cc1[nH]c(-c2ccc(C)cc2)cc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033139598 570825929 /nfs/dbraw/zinc/82/59/29/570825929.db2.gz PGEVSOUOHXXRAG-UHFFFAOYSA-N 0 0 393.918 4.914 50 0 GJAARN O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccoc1 ZINC000012520247 570826674 /nfs/dbraw/zinc/82/66/74/570826674.db2.gz CBLSIYDOIKXDLK-UHFFFAOYSA-N 0 0 375.306 4.542 50 0 GJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c1 ZINC000012520945 570827485 /nfs/dbraw/zinc/82/74/85/570827485.db2.gz AHDNESKIJZDEGI-UHFFFAOYSA-N 0 0 375.437 4.759 50 0 GJAARN CCOc1ccccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000007318881 570829258 /nfs/dbraw/zinc/82/92/58/570829258.db2.gz LBLUKOOVYHZWPI-UHFFFAOYSA-N 0 0 387.439 4.564 50 0 GJAARN CCCC[C@@H](CC)CNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004681777 570829834 /nfs/dbraw/zinc/82/98/34/570829834.db2.gz 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/nfs/dbraw/zinc/91/45/51/570914551.db2.gz FVYFSIYBJASOJN-ACJLOTCBSA-N 0 0 389.521 4.513 50 0 GJAARN CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000007574028 570915839 /nfs/dbraw/zinc/91/58/39/570915839.db2.gz QFIALRKDFWVKAT-UHFFFAOYSA-N 0 0 384.888 4.524 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1 ZINC000023136624 570916179 /nfs/dbraw/zinc/91/61/79/570916179.db2.gz NAKWBNNFNBXDSO-UHFFFAOYSA-N 0 0 391.855 4.869 50 0 GJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000089827797 570916217 /nfs/dbraw/zinc/91/62/17/570916217.db2.gz RFKXVCFYHXVFER-NRFANRHFSA-N 0 0 396.899 4.880 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1C ZINC000004585391 570916738 /nfs/dbraw/zinc/91/67/38/570916738.db2.gz GBXVPUKDFSFUSI-UHFFFAOYSA-N 0 0 397.478 4.872 50 0 GJAARN Cc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C ZINC000004585389 570916758 /nfs/dbraw/zinc/91/67/58/570916758.db2.gz NYYUOVHNCLETGN-UHFFFAOYSA-N 0 0 383.451 4.563 50 0 GJAARN CC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@H](c3ccccn3)C3CC3)c2)nc1 ZINC000534664781 570918927 /nfs/dbraw/zinc/91/89/27/570918927.db2.gz QJQCWSDOXDKNAH-QHCPKHFHSA-N 0 0 385.467 4.570 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3ccc(N4CCC(C)=N4)cc3)sc2c1 ZINC000046761388 570919906 /nfs/dbraw/zinc/91/99/06/570919906.db2.gz IYNBDQWEPMLKLY-UHFFFAOYSA-N 0 0 380.473 4.533 50 0 GJAARN Cc1nc2sc([C@H](c3ccc(Cl)cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000023156948 570920183 /nfs/dbraw/zinc/92/01/83/570920183.db2.gz ALQIHKKHRCNQNN-MKBNYLNASA-N 0 0 390.940 4.526 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2Cl)cc1Cl ZINC000005747094 570920210 /nfs/dbraw/zinc/92/02/10/570920210.db2.gz LZCZWDQBADAYRB-KRWDZBQOSA-N 0 0 390.270 4.568 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(Cl)cc1F ZINC000007580489 570920743 /nfs/dbraw/zinc/92/07/43/570920743.db2.gz FEZSIQXADFTBDI-UHFFFAOYSA-N 0 0 378.856 4.775 50 0 GJAARN COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000004038096 570923934 /nfs/dbraw/zinc/92/39/34/570923934.db2.gz CBDXQNJHOXWFAA-CVDCTZTESA-N 0 0 378.472 4.524 50 0 biogenic GJAARN COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@]21CCOC(C)(C)C1 ZINC000004039407 570924020 /nfs/dbraw/zinc/92/40/20/570924020.db2.gz FMIWDKMHNWWDFR-CVDCTZTESA-N 0 0 378.472 4.524 50 0 biogenic GJAARN COc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)c(Cl)c1 ZINC000004589644 570924661 /nfs/dbraw/zinc/92/46/61/570924661.db2.gz TUWJZMRPSPVDQM-NVNXTCNLSA-N 0 0 381.737 4.712 50 0 GJAARN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)cc3Br)c2)n1 ZINC000032915520 570926495 /nfs/dbraw/zinc/92/64/95/570926495.db2.gz LLTHJEDQYFQXAN-UHFFFAOYSA-N 0 0 388.240 4.643 50 0 GJAARN COc1ccc(CCC(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 ZINC000004063094 570928135 /nfs/dbraw/zinc/92/81/35/570928135.db2.gz GHVMLNRPAVHWCM-UHFFFAOYSA-N 0 0 389.480 4.938 50 0 GJAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1Br ZINC000004072181 570929472 /nfs/dbraw/zinc/92/94/72/570929472.db2.gz GCQRSLZMHOJBGK-UHFFFAOYSA-N 0 0 394.681 4.873 50 0 GJAARN COC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1-c1ccccc1 ZINC000000937584 570930464 /nfs/dbraw/zinc/93/04/64/570930464.db2.gz VALTUWLUFUCNNB-UHFFFAOYSA-N 0 0 381.453 4.528 50 0 GJAARN COC(=O)c1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 ZINC000001787135 570932413 /nfs/dbraw/zinc/93/24/13/570932413.db2.gz BVMHVFZSCBHVSU-UHFFFAOYSA-N 0 0 375.852 4.541 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000004854437 570932636 /nfs/dbraw/zinc/93/26/36/570932636.db2.gz XJAXMONLRVHUGQ-NRFANRHFSA-N 0 0 397.425 4.802 50 0 GJAARN O=C(OC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000032922279 570933952 /nfs/dbraw/zinc/93/39/52/570933952.db2.gz RLEGRJQRXDGTEX-AWEZNQCLSA-N 0 0 392.282 4.703 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000015419270 570934338 /nfs/dbraw/zinc/93/43/38/570934338.db2.gz RNQPJFSLXWDEKZ-ZDUSSCGKSA-N 0 0 379.273 4.528 50 0 GJAARN C[C@H](OC(=O)c1ccc2nc(N)sc2c1)c1nc2ccccc2n1C(F)F ZINC000046834871 570934580 /nfs/dbraw/zinc/93/45/80/570934580.db2.gz GPOKYSTUQZUGPI-VIFPVBQESA-N 0 0 388.399 4.541 50 0 GJAARN CCOc1cccc(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)c1 ZINC000003612674 570934720 /nfs/dbraw/zinc/93/47/20/570934720.db2.gz AAXWBTCKRXEZND-JXMROGBWSA-N 0 0 397.525 4.995 50 0 GJAARN Cc1ccc(NC(=O)NCCn2c3ncccc3nc2-c2ccc(C)cc2)cc1 ZINC000046913387 570935662 /nfs/dbraw/zinc/93/56/62/570935662.db2.gz LPYDHKXGXOCWJC-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN COc1cccc(-c2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)n[nH]2)c1 ZINC000046914092 570936513 /nfs/dbraw/zinc/93/65/13/570936513.db2.gz ZJJJBIIAMVZGQU-UHFFFAOYSA-N 0 0 386.333 4.821 50 0 GJAARN CC1(C)[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000170638227 570939128 /nfs/dbraw/zinc/93/91/28/570939128.db2.gz LNXHTOWHCPROHB-UPJWGTAASA-N 0 0 396.331 4.659 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)ccc3C)cc2oc1=O ZINC000002096460 570941268 /nfs/dbraw/zinc/94/12/68/570941268.db2.gz FPXOBYYFFGFKTD-UHFFFAOYSA-N 0 0 394.467 4.793 50 0 biogenic GJAARN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1C ZINC000032931502 570944485 /nfs/dbraw/zinc/94/44/85/570944485.db2.gz YUNCCXYDNCPRBE-UHFFFAOYSA-N 0 0 391.471 4.568 50 0 GJAARN C[C@@H](CNC(=O)c1ccc(Cl)c(-n2cnc3cccnc32)c1)c1ccccc1 ZINC000032932116 570946722 /nfs/dbraw/zinc/94/67/22/570946722.db2.gz LLXXDLHLXFMLKL-HNNXBMFYSA-N 0 0 390.874 4.607 50 0 GJAARN COCCn1c(C)c(C)n(CN(C)Cc2ccc3cc(OC)ccc3c2)c1=S ZINC000032935494 570947661 /nfs/dbraw/zinc/94/76/61/570947661.db2.gz JUNDJFMVUKHSDB-UHFFFAOYSA-N 0 0 399.560 4.534 50 0 GJAARN Cc1ccn2c(c1)nc(-c1ccc(N(C)C)cc1)c2Nc1ccc2c(c1)OCO2 ZINC000004735068 570949080 /nfs/dbraw/zinc/94/90/80/570949080.db2.gz QAMSRVWJJNMYQY-UHFFFAOYSA-N 0 0 386.455 4.848 50 0 aggregator GJAARN Cc1cccc(-c2nc(NCc3ccccc3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037361303 570949542 /nfs/dbraw/zinc/94/95/42/570949542.db2.gz BEWALTYCEXCEDO-UHFFFAOYSA-N 0 0 386.503 4.751 50 0 GJAARN Cc1cc(C)c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)S3)c(C)c1 ZINC000004735741 570949896 /nfs/dbraw/zinc/94/98/96/570949896.db2.gz BLGQGHBTHUQYSW-UHFFFAOYSA-N 0 0 383.494 4.812 50 0 GJAARN Cc1nc(NC(=O)[C@H]2CCCc3ccccc32)sc1-c1nccn1C(F)F ZINC000025673543 570950295 /nfs/dbraw/zinc/95/02/95/570950295.db2.gz ULYUGHXAYTYVMO-AWEZNQCLSA-N 0 0 388.443 4.769 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2Br)cc1 ZINC000043133585 570950393 /nfs/dbraw/zinc/95/03/93/570950393.db2.gz ISOGTLVDULXIED-QGZVFWFLSA-N 0 0 375.266 4.827 50 0 GJAARN C[S@](=O)Cc1ccccc1NC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000585138619 570951333 /nfs/dbraw/zinc/95/13/33/570951333.db2.gz OPIGOECOROYZPL-MHZLTWQESA-N 0 0 386.492 4.568 50 0 GJAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc(Cl)cc1)cc2C(F)(F)F ZINC000020615610 570952023 /nfs/dbraw/zinc/95/20/23/570952023.db2.gz AGDVQRVRXYAVRH-UHFFFAOYSA-N 0 0 397.784 4.642 50 0 GJAARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]3(C)[C@@H]2O)c(C)n1 ZINC000020606659 570952066 /nfs/dbraw/zinc/95/20/66/570952066.db2.gz CCDFNZRIXBXVSZ-MLJPVRMGSA-N 0 0 392.543 4.828 50 0 GJAARN COc1ccc(CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 ZINC000032937543 570952523 /nfs/dbraw/zinc/95/25/23/570952523.db2.gz SWTDUVHFBUYUMQ-VWLOTQADSA-N 0 0 398.355 4.774 50 0 GJAARN NC(=O)c1ccc(-c2nc(COc3ccccc3C(F)(F)F)cs2)cc1 ZINC000052891252 570955572 /nfs/dbraw/zinc/95/55/72/570955572.db2.gz ZUUNOISTTFHENR-UHFFFAOYSA-N 0 0 378.375 4.507 50 0 GJAARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc(Br)cc2C)CO1 ZINC000002122289 570956729 /nfs/dbraw/zinc/95/67/29/570956729.db2.gz AOPIPDKYPPJZLI-UHFFFAOYSA-N 0 0 386.245 4.529 50 0 biogenic GJAARN Cn1c(=S)n(CN2CC[C@@H]3CCCC[C@H]3C2)nc1-c1ccc(Cl)cc1 ZINC000252444026 570957225 /nfs/dbraw/zinc/95/72/25/570957225.db2.gz SUUKMYRYSFDUBL-HOCLYGCPSA-N 0 0 376.957 4.741 50 0 GJAARN Cc1ccc(-c2nc(C3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)no2)cc1 ZINC000033281824 570957264 /nfs/dbraw/zinc/95/72/64/570957264.db2.gz XHYJUPDXENXBJS-UHFFFAOYSA-N 0 0 386.455 4.546 50 0 GJAARN COc1cccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c1 ZINC000012135093 570960235 /nfs/dbraw/zinc/96/02/35/570960235.db2.gz HROKGLFNAPTUNG-UHFFFAOYSA-N 0 0 394.544 4.554 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)N3CCCc4ccccc43)c(C)s2)n1 ZINC000033289968 570960818 /nfs/dbraw/zinc/96/08/18/570960818.db2.gz WDVHHSRZTROYIK-UHFFFAOYSA-N 0 0 390.555 4.630 50 0 GJAARN CC(=O)c1cc(C(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)n(C)c1 ZINC000083815635 570967001 /nfs/dbraw/zinc/96/70/01/570967001.db2.gz ODMHYLGBCQXRSV-QFIPXVFZSA-N 0 0 392.524 4.687 50 0 GJAARN COc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(C)n1 ZINC000012225313 570967694 /nfs/dbraw/zinc/96/76/94/570967694.db2.gz ZXONNENDZGVOHV-UHFFFAOYSA-N 0 0 386.814 4.582 50 0 GJAARN COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)c1 ZINC000004757753 570967912 /nfs/dbraw/zinc/96/79/12/570967912.db2.gz MZTFCUSRGDDALU-UHFFFAOYSA-N 0 0 377.341 4.922 50 0 aggregator GJAARN O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(F)cc1F ZINC000004167511 570968951 /nfs/dbraw/zinc/96/89/51/570968951.db2.gz OZDKZJSXWZJXOH-UHFFFAOYSA-N 0 0 397.859 4.868 50 0 GJAARN O=C(c1ccc(-c2ccsc2)cc1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000211111861 570969928 /nfs/dbraw/zinc/96/99/28/570969928.db2.gz DNKXEEBUDDGWOW-QHCPKHFHSA-N 0 0 389.476 4.717 50 0 GJAARN CN(C)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1F ZINC000083854328 570971155 /nfs/dbraw/zinc/97/11/55/570971155.db2.gz ZQBQORYBOAWFME-UHFFFAOYSA-N 0 0 395.459 4.691 50 0 GJAARN COc1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 ZINC000002150386 570972468 /nfs/dbraw/zinc/97/24/68/570972468.db2.gz DEPPEMNRJGOTQX-UHFFFAOYSA-N 0 0 391.423 4.736 50 0 biogenic GJAARN O=C(N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000019315359 570973863 /nfs/dbraw/zinc/97/38/63/570973863.db2.gz ODJOUOYZSGNMLC-QGZVFWFLSA-N 0 0 397.689 4.649 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000208046724 570974511 /nfs/dbraw/zinc/97/45/11/570974511.db2.gz WGRIYEOZBOVYDX-IBGZPJMESA-N 0 0 399.899 4.767 50 0 GJAARN CC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1Cl ZINC000004772645 570978236 /nfs/dbraw/zinc/97/82/36/570978236.db2.gz AVEBTIMALLPEHM-LJQANCHMSA-N 0 0 384.871 4.746 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000044837406 570978814 /nfs/dbraw/zinc/97/88/14/570978814.db2.gz XPBJGISYNGRPOK-UHFFFAOYSA-N 0 0 376.641 4.745 50 0 GJAARN Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1F ZINC000001401130 570981890 /nfs/dbraw/zinc/98/18/90/570981890.db2.gz FPSVFEDUVOFUQD-UHFFFAOYSA-N 0 0 377.778 4.705 50 0 GJAARN Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4)n3)c2)c1 ZINC000033327228 570981924 /nfs/dbraw/zinc/98/19/24/570981924.db2.gz AZOYGBWONVDNMG-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN CO[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000585149240 570982692 /nfs/dbraw/zinc/98/26/92/570982692.db2.gz PERLIGYTMPUVLB-GOSISDBHSA-N 0 0 394.254 4.622 50 0 GJAARN O=C(COc1cccc(-c2noc(-c3ccco3)n2)c1)Nc1ccc(Cl)cc1 ZINC000033327426 570983012 /nfs/dbraw/zinc/98/30/12/570983012.db2.gz IGOAJTPPGQVYIE-UHFFFAOYSA-N 0 0 395.802 4.668 50 0 GJAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1ccncc1Cl ZINC000170646480 570983093 /nfs/dbraw/zinc/98/30/93/570983093.db2.gz WGHSVFXHCKDKLO-UHFFFAOYSA-N 0 0 399.705 4.520 50 0 GJAARN Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000033327438 570983181 /nfs/dbraw/zinc/98/31/81/570983181.db2.gz RFQVSXSNISMBCA-UHFFFAOYSA-N 0 0 391.452 4.791 50 0 GJAARN CC(=O)N[C@@H](CC(=O)N(c1ccc(C)cn1)C1CCCCC1)c1ccc(C)cc1 ZINC000108203090 570985465 /nfs/dbraw/zinc/98/54/65/570985465.db2.gz AXTNLXZNAIUZQD-QFIPXVFZSA-N 0 0 393.531 4.632 50 0 GJAARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([S@@](C)=O)c(F)c2)o1 ZINC000170650612 570985487 /nfs/dbraw/zinc/98/54/87/570985487.db2.gz KJLGXRCRAVAVHR-AKJBCIBTSA-N 0 0 378.469 4.614 50 0 GJAARN O=C(NCC1(c2cccs2)CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000023238137 570990714 /nfs/dbraw/zinc/99/07/14/570990714.db2.gz PZEYXEUTKPTFLR-UHFFFAOYSA-N 0 0 377.509 4.893 50 0 GJAARN Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000084022929 570990910 /nfs/dbraw/zinc/99/09/10/570990910.db2.gz NZUHAVWCSDARRI-TXEJJXNPSA-N 0 0 389.883 4.600 50 0 GJAARN Cc1sc2nc(-c3ccccc3)nc(N[C@@H](C(N)=O)c3ccccc3)c2c1C ZINC000084065498 570993159 /nfs/dbraw/zinc/99/31/59/570993159.db2.gz WVYNLUKCIVUYHM-GOSISDBHSA-N 0 0 388.496 4.614 50 0 GJAARN Cc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)c(C)n1Cc1ccco1 ZINC000084080237 570996066 /nfs/dbraw/zinc/99/60/66/570996066.db2.gz PDFLPFJMIQYMIS-QFIPXVFZSA-N 0 0 379.504 4.842 50 0 GJAARN Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n(-c2ccccc2F)n1 ZINC000084105267 570998911 /nfs/dbraw/zinc/99/89/11/570998911.db2.gz XIBIRZJWKQYKDN-UHFFFAOYSA-N 0 0 394.233 4.644 50 0 GJAARN CCOc1ccccc1C(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 ZINC000025919758 570999768 /nfs/dbraw/zinc/99/97/68/570999768.db2.gz JRFHMCOAMKVSJB-UHFFFAOYSA-N 0 0 389.451 4.890 50 0 GJAARN CN(Cc1ccno1)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000019537116 571000398 /nfs/dbraw/zinc/00/03/98/571000398.db2.gz AUFFMHALIGGKNQ-UHFFFAOYSA-N 0 0 396.853 4.952 50 0 GJAARN COc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045928024 571002138 /nfs/dbraw/zinc/00/21/38/571002138.db2.gz ZYOFTQZNRWAXPS-QHCPKHFHSA-N 0 0 385.463 4.791 50 0 GJAARN O=C1C(=O)N(Cc2ccccn2)[C@H](c2cccc(Cl)c2)C1c1ccccc1 ZINC000045928588 571002177 /nfs/dbraw/zinc/00/21/77/571002177.db2.gz KMFXGEVFDGIZDG-HXUWFJFHSA-N 0 0 376.843 4.788 50 0 GJAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCC3)cc1 ZINC000045932814 571002665 /nfs/dbraw/zinc/00/26/65/571002665.db2.gz SUDCXWGYPBPJRC-UHFFFAOYSA-N 0 0 398.915 4.891 50 0 GJAARN COc1ccc(C2=NC3(CCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)cc1 ZINC000045933279 571002681 /nfs/dbraw/zinc/00/26/81/571002681.db2.gz IPRBWGTTYJGHFW-UHFFFAOYSA-N 0 0 398.915 4.891 50 0 GJAARN CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1C1CC1 ZINC000007618355 571002802 /nfs/dbraw/zinc/00/28/02/571002802.db2.gz QNXZVQPHHBMFTM-HNNXBMFYSA-N 0 0 392.528 4.962 50 0 GJAARN COc1ccccc1CN1C(=O)C(=O)C(c2ccccc2)[C@H]1c1ccccc1F ZINC000045941410 571003532 /nfs/dbraw/zinc/00/35/32/571003532.db2.gz ZVICUFJVDDQPRJ-JOCHJYFZSA-N 0 0 389.426 4.887 50 0 GJAARN COc1cccc(CN2C(=O)C(=O)C(c3ccc(F)cc3)[C@H]2c2ccccc2)c1 ZINC000045942579 571003875 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CCOc1ccc2nc(SCCC(=O)Nc3ccc(OC)cc3)sc2c1 ZINC000001175945 212225739 /nfs/dbraw/zinc/22/57/39/212225739.db2.gz NWHYXQONVRSHIE-UHFFFAOYSA-N 0 0 388.514 4.825 50 0 GJAARN COc1ccc(-c2csc3nc(Cc4ccccc4)oc(=O)c23)cc1OC ZINC000001120859 212220108 /nfs/dbraw/zinc/22/01/08/212220108.db2.gz WFAYXDUALURQLM-UHFFFAOYSA-N 0 0 379.437 4.525 50 0 GJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 ZINC000001144035 212223316 /nfs/dbraw/zinc/22/33/16/212223316.db2.gz GICMYKYJNLAYRD-UHFFFAOYSA-N 0 0 386.455 4.607 50 0 GJAARN CCOc1cc(C(=O)N[C@H](C)CCc2ccccc2)cc(OCC)c1OCC ZINC000001151217 212222751 /nfs/dbraw/zinc/22/27/51/212222751.db2.gz QYMHJJGFZPDQFJ-QGZVFWFLSA-N 0 0 385.504 4.634 50 0 GJAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)C4CCCCC4)ccc32)cc1 ZINC000001144406 212222649 /nfs/dbraw/zinc/22/26/49/212222649.db2.gz IHGUUKZJLMPTSU-UHFFFAOYSA-N 0 0 378.424 4.954 50 0 biogenic GJAARN C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)C[C@@H](C)O1 ZINC000001142177 212222470 /nfs/dbraw/zinc/22/24/70/212222470.db2.gz BPOHPHAZXZWCSR-QZTJIDSGSA-N 0 0 381.516 4.813 50 0 GJAARN CCc1c(C)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2oc1=O ZINC000001121081 212220160 /nfs/dbraw/zinc/22/01/60/212220160.db2.gz RDPDZYMGAXVZBC-UHFFFAOYSA-N 0 0 379.456 4.607 50 0 GJAARN COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 ZINC000001104451 212217436 /nfs/dbraw/zinc/21/74/36/212217436.db2.gz NTEWVIGKKBEUDS-UHFFFAOYSA-N 0 0 396.468 4.733 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc(F)cc1)CCCC2 ZINC000001109702 212217336 /nfs/dbraw/zinc/21/73/36/212217336.db2.gz LHMDRXOWWYHKQZ-UHFFFAOYSA-N 0 0 393.505 4.674 50 0 GJAARN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Br)cc1 ZINC000001094949 212216404 /nfs/dbraw/zinc/21/64/04/212216404.db2.gz SCUQIZAUMDOTTC-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN Cc1cc(Br)ccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000001119607 212219308 /nfs/dbraw/zinc/21/93/08/212219308.db2.gz PDNXYTJLYAFRNJ-UHFFFAOYSA-N 0 0 399.244 4.855 50 0 GJAARN CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 ZINC000001114852 212218644 /nfs/dbraw/zinc/21/86/44/212218644.db2.gz CXSYFYVLPDKUFU-UHFFFAOYSA-N 0 0 398.462 4.910 50 0 GJAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@@H]2CCCO2)cc1 ZINC000001109745 212218274 /nfs/dbraw/zinc/21/82/74/212218274.db2.gz SRENHPQUQFDUOU-FQEVSTJZSA-N 0 0 384.483 4.987 50 0 GJAARN Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl ZINC000001072050 212214257 /nfs/dbraw/zinc/21/42/57/212214257.db2.gz BSCHXDSDZVMCOJ-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN Cc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000001043653 212210093 /nfs/dbraw/zinc/21/00/93/212210093.db2.gz FJIBMTNGZAOBHV-UHFFFAOYSA-N 0 0 382.260 4.504 50 0 GJAARN CCOC(=O)c1c(N2C(=O)CC3(CCCC3)C2=O)sc(C)c1-c1ccccc1 ZINC000001048352 212209912 /nfs/dbraw/zinc/20/99/12/212209912.db2.gz AOILVRHAPYJWNN-UHFFFAOYSA-N 0 0 397.496 4.724 50 0 GJAARN Cc1ccc2[nH]c(=S)n(-c3ccc(Br)c(Cl)c3)c(=O)c2c1 ZINC000001045787 212209653 /nfs/dbraw/zinc/20/96/53/212209653.db2.gz HNABPUJNIBLRAP-UHFFFAOYSA-N 0 0 381.682 4.773 50 0 GJAARN Cc1cc(-c2onc(C)c2-c2nc(-c3cccc(C(F)(F)F)c3)no2)no1 ZINC000001047749 212209361 /nfs/dbraw/zinc/20/93/61/212209361.db2.gz WZUCIGMIGLTMGR-UHFFFAOYSA-N 0 0 376.294 4.682 50 0 GJAARN Cc1cc2ncc(-c3ccnc(SCc4cccc(Cl)c4)n3)c(C)n2n1 ZINC000001038316 212208472 /nfs/dbraw/zinc/20/84/72/212208472.db2.gz FOCUAUXPQRFPDZ-UHFFFAOYSA-N 0 0 381.892 4.749 50 0 GJAARN CC(C)(C)c1ccc(-c2noc(CS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000001042490 212207980 /nfs/dbraw/zinc/20/79/80/212207980.db2.gz YRPHHHUMTHMRLN-UHFFFAOYSA-N 0 0 390.892 4.661 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc3c(cc(C)cc3C)[nH]1)CC2 ZINC000001033794 212207284 /nfs/dbraw/zinc/20/72/84/212207284.db2.gz WWLIQTOJVUZXQC-OAHLLOKOSA-N 0 0 378.472 4.561 50 0 GJAARN COc1c(Br)csc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001027158 212206731 /nfs/dbraw/zinc/20/67/31/212206731.db2.gz YHDKQEMOZNPWIT-UHFFFAOYSA-N 0 0 380.185 4.790 50 0 GJAARN COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000001064676 212212325 /nfs/dbraw/zinc/21/23/25/212212325.db2.gz MJMCDPUKLXEZQQ-PIGZYNQJSA-N 0 0 378.291 4.625 50 0 GJAARN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2CO1 ZINC000001051268 212211217 /nfs/dbraw/zinc/21/12/17/212211217.db2.gz NFWGQDGMLRQLPK-FATZIPQQSA-N 0 0 378.472 4.513 50 0 GJAARN CCOC(=O)Cc1csc(NC(=O)c2sc3cccc(F)c3c2Cl)n1 ZINC000001054713 212211131 /nfs/dbraw/zinc/21/11/31/212211131.db2.gz PTOKWJIWYPMRNN-UHFFFAOYSA-N 0 0 398.868 4.508 50 0 GJAARN COc1ccc(O[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000001050844 212210912 /nfs/dbraw/zinc/21/09/12/212210912.db2.gz ISEYJDOWMVDUJC-INIZCTEOSA-N 0 0 388.678 4.509 50 0 GJAARN CC(C)(C)c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 ZINC000001016495 212206267 /nfs/dbraw/zinc/20/62/67/212206267.db2.gz YVFNWDMADVCHLK-UHFFFAOYSA-N 0 0 388.500 4.548 50 0 GJAARN CC[C@]1(C)C[C@@](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)CCO1 ZINC000001025962 212206281 /nfs/dbraw/zinc/20/62/81/212206281.db2.gz CCJRNGSGDXZYOG-RPBOFIJWSA-N 0 0 391.511 4.898 50 0 GJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(Cl)c3)c2c1 ZINC000000952866 212200316 /nfs/dbraw/zinc/20/03/16/212200316.db2.gz TXECHOIOLQUTQN-UHFFFAOYSA-N 0 0 398.846 4.985 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000000997071 212204013 /nfs/dbraw/zinc/20/40/13/212204013.db2.gz KBOHZIKUVCGMJT-RUDMXATFSA-N 0 0 389.274 4.719 50 0 GJAARN COc1ccc(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1Cl ZINC000000987361 212203457 /nfs/dbraw/zinc/20/34/57/212203457.db2.gz FFCZPGGNEWRBCO-PXNMLYILSA-N 0 0 392.839 4.594 50 0 GJAARN O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1 ZINC000000993057 212203378 /nfs/dbraw/zinc/20/33/78/212203378.db2.gz GOCLNBGPHGINKT-UHFFFAOYSA-N 0 0 383.806 4.993 50 0 GJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(O)c1 ZINC000000951943 212199704 /nfs/dbraw/zinc/19/97/04/212199704.db2.gz JDDAAQGYLSENRZ-UHFFFAOYSA-N 0 0 387.233 4.623 50 0 GJAARN O=c1c2c(-c3ccc(Br)cc3)csc2ncn1Cc1ccccc1 ZINC000000952359 212199466 /nfs/dbraw/zinc/19/94/66/212199466.db2.gz DGFGYGBIXFVFJA-UHFFFAOYSA-N 0 0 397.297 4.936 50 0 GJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1OCC ZINC000000949026 212198455 /nfs/dbraw/zinc/19/84/55/212198455.db2.gz GWAOUUSAMAJZTI-UHFFFAOYSA-N 0 0 380.444 4.953 50 0 GJAARN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c(OC)cc1Br ZINC000000943329 212197298 /nfs/dbraw/zinc/19/72/98/212197298.db2.gz ZZXYJMLRAKBWFP-VMPITWQZSA-N 0 0 396.668 4.772 50 0 GJAARN O=C(Nc1nnc(COc2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000000828629 212187528 /nfs/dbraw/zinc/18/75/28/212187528.db2.gz KTWMCPRXGLNVEV-UHFFFAOYSA-N 0 0 380.256 4.676 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 ZINC000000786522 212181659 /nfs/dbraw/zinc/18/16/59/212181659.db2.gz RKRQZPIYQMPJNE-UHFFFAOYSA-N 0 0 375.049 4.773 50 0 GJAARN O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000824909 212185422 /nfs/dbraw/zinc/18/54/22/212185422.db2.gz LDIXXNUTMYZROJ-LBPRGKRZSA-N 0 0 384.115 4.940 50 0 GJAARN O=C1C[C@H](c2cccc(I)c2)c2ccc3ccccc3c2N1 ZINC000000727561 212178082 /nfs/dbraw/zinc/17/80/82/212178082.db2.gz XCVVUYLDLWXNCR-QGZVFWFLSA-N 0 0 399.231 4.919 50 0 GJAARN O=C(NCc1ccco1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000728183 212177848 /nfs/dbraw/zinc/17/78/48/212177848.db2.gz ANWFSJOGDJKJTO-UHFFFAOYSA-N 0 0 394.434 4.586 50 0 GJAARN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(F)c1 ZINC000000689103 212175908 /nfs/dbraw/zinc/17/59/08/212175908.db2.gz LKRHDPBXCZSIGL-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccccc2C)c1 ZINC000000752756 212179512 /nfs/dbraw/zinc/17/95/12/212179512.db2.gz AFDMQWVITNNSOL-UHFFFAOYSA-N 0 0 392.462 4.855 50 0 GJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccnc1 ZINC000000671189 212171698 /nfs/dbraw/zinc/17/16/98/212171698.db2.gz CGWSLBJXWLPXNC-UHFFFAOYSA-N 0 0 386.860 4.893 50 0 GJAARN CCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccccc2OC)cc1OCC ZINC000000668049 212171364 /nfs/dbraw/zinc/17/13/64/212171364.db2.gz ANVGNBAEMDSRSC-CYBMUJFWSA-N 0 0 377.868 4.637 50 0 GJAARN Cc1ccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCC4)cc1 ZINC000000663670 212171106 /nfs/dbraw/zinc/17/11/06/212171106.db2.gz GYEYBTSGLACEAU-UHFFFAOYSA-N 0 0 385.492 4.969 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1 ZINC000000661885 212171230 /nfs/dbraw/zinc/17/12/30/212171230.db2.gz RNCFVPVQGJGUJX-LBPRGKRZSA-N 0 0 399.947 4.977 50 0 GJAARN CCOc1cc(Cl)c([C@H](C)NC(=O)c2ccccc2OC)cc1OCC ZINC000000668050 212170768 /nfs/dbraw/zinc/17/07/68/212170768.db2.gz ANVGNBAEMDSRSC-ZDUSSCGKSA-N 0 0 377.868 4.637 50 0 GJAARN CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCO1 ZINC000000667858 212170683 /nfs/dbraw/zinc/17/06/83/212170683.db2.gz ZHXNVSMORFYOHU-SFHVURJKSA-N 0 0 395.480 4.863 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000000668073 212170491 /nfs/dbraw/zinc/17/04/91/212170491.db2.gz IJQKWMITUBYXLU-NRFANRHFSA-N 0 0 391.442 4.701 50 0 aggregator GJAARN CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc(C)cc1 ZINC000000687368 212175293 /nfs/dbraw/zinc/17/52/93/212175293.db2.gz HFPTWTQQYLTLLR-UHFFFAOYSA-N 0 0 398.557 4.726 50 0 GJAARN CC(C)OC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@@H](C)C2 ZINC000000687040 212175379 /nfs/dbraw/zinc/17/53/79/212175379.db2.gz QSFHIYSIWHQXNM-GFCCVEGCSA-N 0 0 375.465 4.830 50 0 GJAARN Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c1 ZINC000000689302 212175220 /nfs/dbraw/zinc/17/52/20/212175220.db2.gz PNDMUHGJYPIGEP-UHFFFAOYSA-N 0 0 388.895 4.965 50 0 GJAARN COc1cc(OC)cc([C@@H]2SCCN2C(=O)c2ccc3ccccc3c2)c1 ZINC000000690871 212175259 /nfs/dbraw/zinc/17/52/59/212175259.db2.gz RDQSQMKFFXSSQW-QFIPXVFZSA-N 0 0 379.481 4.745 50 0 GJAARN CCOc1ccccc1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1 ZINC000000675918 212172483 /nfs/dbraw/zinc/17/24/83/212172483.db2.gz GUKSIQAKULOIAI-UHFFFAOYSA-N 0 0 385.847 4.841 50 0 GJAARN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000000670003 212172521 /nfs/dbraw/zinc/17/25/21/212172521.db2.gz PGEHCTQVPUQBQP-FPMFRTRJSA-N 0 0 397.449 4.571 50 0 GJAARN Cc1ccn2cc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000000629941 212166844 /nfs/dbraw/zinc/16/68/44/212166844.db2.gz HAPXVXIJBMTGEX-UHFFFAOYSA-N 0 0 396.244 4.918 50 0 GJAARN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1C ZINC000000637468 212166742 /nfs/dbraw/zinc/16/67/42/212166742.db2.gz FDYILRSDICIQFG-ZDUSSCGKSA-N 0 0 377.271 4.602 50 0 GJAARN Cc1ccc(C)c(-c2csc(NC(=O)CSc3ccccc3)c2C(N)=O)c1 ZINC000000649207 212169729 /nfs/dbraw/zinc/16/97/29/212169729.db2.gz QBUJAEBFCNHCCT-UHFFFAOYSA-N 0 0 396.537 4.862 50 0 GJAARN CNC(=O)c1c2c(sc1NC(=O)c1ccccc1C)C[C@H](C(C)(C)C)CC2 ZINC000000643885 212168883 /nfs/dbraw/zinc/16/88/83/212168883.db2.gz KPBGMDZLXSCLHA-CQSZACIVSA-N 0 0 384.545 4.819 50 0 GJAARN O=C(Nc1ccccn1)c1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000000645796 212168925 /nfs/dbraw/zinc/16/89/25/212168925.db2.gz PREHQYPAZODNKO-UHFFFAOYSA-N 0 0 387.773 4.518 50 0 GJAARN CC(=O)c1oc2nc3c(c(C)nn3-c3ccccc3)c(-c3cccs3)c2c1N ZINC000000642410 212168890 /nfs/dbraw/zinc/16/88/90/212168890.db2.gz WODVOCWZUGSKPK-UHFFFAOYSA-N 0 0 388.452 4.988 50 0 GJAARN Fc1ccc(Cc2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn23)cc1 ZINC000000632801 212167535 /nfs/dbraw/zinc/16/75/35/212167535.db2.gz DKEJBYOWSSBOSU-UHFFFAOYSA-N 0 0 378.354 4.602 50 0 GJAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3c(F)cccc3F)ccc1O2 ZINC000009134919 212163269 /nfs/dbraw/zinc/16/32/69/212163269.db2.gz LVHYMLTYZUKJJG-UHFFFAOYSA-N 0 0 380.350 4.884 50 0 GJAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(Br)c1 ZINC000096759100 212156602 /nfs/dbraw/zinc/15/66/02/212156602.db2.gz NQPJLAXWHNBGNG-MDWZMJQESA-N 0 0 387.302 4.782 50 0 GJAARN C[C@H](OC(=O)/C=C\c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000096401142 212155823 /nfs/dbraw/zinc/15/58/23/212155823.db2.gz ROAONBIMZUFMDS-NYHXXUGCSA-N 0 0 396.443 4.533 50 0 GJAARN CC[C@@H](C)N1COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2C1 ZINC000012442688 212149658 /nfs/dbraw/zinc/14/96/58/212149658.db2.gz NCPYAESLTGIDJW-CQSZACIVSA-N 0 0 381.428 4.544 50 0 biogenic GJAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)C(C)C)ccc3c2C)c1 ZINC000009047208 212148538 /nfs/dbraw/zinc/14/85/38/212148538.db2.gz NSHOICATFJQQPD-UHFFFAOYSA-N 0 0 381.428 4.584 50 0 GJAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccn4)ccc3o2)cc1 ZINC000009660099 212148425 /nfs/dbraw/zinc/14/84/25/212148425.db2.gz RKFBUEOSXZGMKR-UHFFFAOYSA-N 0 0 386.407 4.506 50 0 GJAARN COc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccs4)cc3o2)cc1 ZINC000009660291 212148079 /nfs/dbraw/zinc/14/80/79/212148079.db2.gz ZOQCEBSHJOQAPS-UHFFFAOYSA-N 0 0 377.421 4.782 50 0 GJAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)c1 ZINC000008769073 212147286 /nfs/dbraw/zinc/14/72/86/212147286.db2.gz DFMDEFMSOWWSFK-UHFFFAOYSA-N 0 0 386.407 4.628 50 0 GJAARN CCCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)ccc12 ZINC000001805011 212144151 /nfs/dbraw/zinc/14/41/51/212144151.db2.gz DCKFXGCCDGMERR-UHFFFAOYSA-N 0 0 398.455 4.740 50 0 biogenic GJAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)C(C)C)ccc2c1=O ZINC000001131275 212143369 /nfs/dbraw/zinc/14/33/69/212143369.db2.gz MMBTUPNFFGVZQN-UHFFFAOYSA-N 0 0 382.412 4.854 50 0 biogenic GJAARN Cc1c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)ccn1CCC(C)C ZINC000263588652 212141771 /nfs/dbraw/zinc/14/17/71/212141771.db2.gz WSBHPJUPQQTXQP-UHFFFAOYSA-N 0 0 397.302 4.527 50 0 GJAARN Cc1csc(CCNC(=O)C[C@H](c2cccc3ccccc32)n2cccc2)n1 ZINC000263587037 212139836 /nfs/dbraw/zinc/13/98/36/212139836.db2.gz BGDMQTANCRRHIJ-OAQYLSRUSA-N 0 0 389.524 4.745 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1cccnc1)CC(=O)O2 ZINC000253415104 212135843 /nfs/dbraw/zinc/13/58/43/212135843.db2.gz ZQUNZEYNKQRJTF-SFHVURJKSA-N 0 0 383.403 4.604 50 0 biogenic GJAARN CCSc1ccccc1C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000244986257 212133008 /nfs/dbraw/zinc/13/30/08/212133008.db2.gz JMYHZPIQQDLWLZ-LJQANCHMSA-N 0 0 389.567 4.588 50 0 GJAARN CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000245255872 212134126 /nfs/dbraw/zinc/13/41/26/212134126.db2.gz MCTDXPDDZLFJHR-FVLCUVFVSA-N 0 0 382.500 4.941 50 0 GJAARN O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(-c2ccsc2)cc1 ZINC000244998623 212133295 /nfs/dbraw/zinc/13/32/95/212133295.db2.gz KMTCETRZYJNINA-HXUWFJFHSA-N 0 0 398.553 4.528 50 0 GJAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1ccccc1-n1cccn1 ZINC000334162568 212107328 /nfs/dbraw/zinc/10/73/28/212107328.db2.gz PZHMXYQKRREPKX-UHFFFAOYSA-N 0 0 396.244 4.942 50 0 GJAARN O=C(NCc1cc2ccccc2[nH]1)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000011879768 206226533 /nfs/dbraw/zinc/22/65/33/206226533.db2.gz ACKQTWFYRZFRCI-UHFFFAOYSA-N 0 0 381.435 4.830 50 0 GJAARN CCc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@H]3c3ccnn3C)s2)cc1 ZINC000328589320 206230181 /nfs/dbraw/zinc/23/01/81/206230181.db2.gz KCKVBBYFKYYVRG-IBGZPJMESA-N 0 0 394.544 4.782 50 0 GJAARN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@H](C)C2 ZINC000015746432 206256610 /nfs/dbraw/zinc/25/66/10/206256610.db2.gz XBAQWDFQVMWKEY-RRQGHBQHSA-N 0 0 383.513 4.792 50 0 GJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000253412798 206282510 /nfs/dbraw/zinc/28/25/10/206282510.db2.gz SBDJBBODLHKLJI-LJQANCHMSA-N 0 0 398.414 4.910 50 0 biogenic GJAARN COC(=O)c1ccc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 ZINC000001155869 206290026 /nfs/dbraw/zinc/29/00/26/206290026.db2.gz ZGSGWYWGCTXTHP-UHFFFAOYSA-N 0 0 382.412 4.672 50 0 GJAARN Cc1c(OC(=O)C(C)C)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 ZINC000001159682 206290126 /nfs/dbraw/zinc/29/01/26/206290126.db2.gz ITDXCTUFXRWGJP-UHFFFAOYSA-N 0 0 379.437 4.940 50 0 biogenic GJAARN Cc1c2ccc3c(c2oc(=O)c1-c1ccccc1)CN(Cc1cccnc1)CO3 ZINC000012442458 206294582 /nfs/dbraw/zinc/29/45/82/206294582.db2.gz GRJJLIRHGPKNKF-UHFFFAOYSA-N 0 0 384.435 4.516 50 0 GJAARN COc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@]21CCOC(C)(C)C1 ZINC000100748613 206304284 /nfs/dbraw/zinc/30/42/84/206304284.db2.gz FMIWDKMHNWWDFR-XXBNENTESA-N 0 0 378.472 4.524 50 0 biogenic GJAARN C[C@@H]1CNC(=O)N1c1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000096316144 206300177 /nfs/dbraw/zinc/30/01/77/206300177.db2.gz VMNPABPWKSONSW-XYLWRLHESA-N 0 0 390.270 4.563 50 0 GJAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C\c1ccccc1OC(F)F ZINC000096311129 206300376 /nfs/dbraw/zinc/30/03/76/206300376.db2.gz SESVYHDSJHWZHW-YFHOEESVSA-N 0 0 397.381 4.831 50 0 GJAARN COc1ccc(/C=C\C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1OC ZINC000096401147 206300524 /nfs/dbraw/zinc/30/05/24/206300524.db2.gz SJGWGWZGGGUIAK-WMZJFQQLSA-N 0 0 399.443 4.723 50 0 GJAARN COc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000096812587 206301305 /nfs/dbraw/zinc/30/13/05/206301305.db2.gz OQXNOCYKOLQFLH-SXGWCWSVSA-N 0 0 387.439 4.991 50 0 GJAARN Cc1ccsc1/C=C(/Cl)c1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000097003013 206301368 /nfs/dbraw/zinc/30/13/68/206301368.db2.gz BHYJMEPXSXWKBP-NTEUORMPSA-N 0 0 389.933 4.883 50 0 GJAARN COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 ZINC000009135263 206308068 /nfs/dbraw/zinc/30/80/68/206308068.db2.gz SKGTUKGNXJETTO-UHFFFAOYSA-N 0 0 394.814 4.959 50 0 GJAARN O=S(=O)(Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000000636622 206310495 /nfs/dbraw/zinc/31/04/95/206310495.db2.gz MEBFHGJPBDHSKL-UHFFFAOYSA-N 0 0 377.259 4.683 50 0 GJAARN O=c1c(SCc2ccccc2)c(N2CCCCC2)cnn1-c1ccccc1 ZINC000000641791 206310526 /nfs/dbraw/zinc/31/05/26/206310526.db2.gz UPASKZHJWHRKFO-UHFFFAOYSA-N 0 0 377.513 4.515 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000000637473 206310753 /nfs/dbraw/zinc/31/07/53/206310753.db2.gz KVOILRVSIMOGCR-ZDUSSCGKSA-N 0 0 377.271 4.602 50 0 GJAARN C[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000000636180 206310800 /nfs/dbraw/zinc/31/08/00/206310800.db2.gz PRMUOPPQXHQEHR-HNNXBMFYSA-N 0 0 391.421 4.854 50 0 GJAARN CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000643876 206311725 /nfs/dbraw/zinc/31/17/25/206311725.db2.gz IMXSJZKJLVRUIX-LBPRGKRZSA-N 0 0 390.574 4.963 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000643966 206311729 /nfs/dbraw/zinc/31/17/29/206311729.db2.gz VSPRRNUTXXTSGD-GFCCVEGCSA-N 0 0 375.490 4.921 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1 ZINC000000650422 206311982 /nfs/dbraw/zinc/31/19/82/206311982.db2.gz FODSPSNXERLYCF-UHFFFAOYSA-N 0 0 386.908 4.658 50 0 GJAARN Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1 ZINC000000648659 206312234 /nfs/dbraw/zinc/31/22/34/206312234.db2.gz OOPXDPBLSMJMAY-UHFFFAOYSA-N 0 0 382.467 4.868 50 0 GJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 ZINC000000660478 206313703 /nfs/dbraw/zinc/31/37/03/206313703.db2.gz IPFLZRAAASABOC-UHFFFAOYSA-N 0 0 398.422 4.736 50 0 GJAARN COC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCCC2 ZINC000000668325 206314887 /nfs/dbraw/zinc/31/48/87/206314887.db2.gz QKWQLJVRLRDSFG-UHFFFAOYSA-N 0 0 399.846 4.988 50 0 GJAARN Cc1cc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000000678700 206315233 /nfs/dbraw/zinc/31/52/33/206315233.db2.gz ONAZAQXKZUDIBH-UHFFFAOYSA-N 0 0 376.481 4.803 50 0 GJAARN Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4F)cc3n2)cc1 ZINC000000678746 206315238 /nfs/dbraw/zinc/31/52/38/206315238.db2.gz LAMPBYMSAQNOIN-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)cn1)CCCCCC3 ZINC000000691652 206316612 /nfs/dbraw/zinc/31/66/12/206316612.db2.gz SBSVNYNYZSTGGO-UHFFFAOYSA-N 0 0 386.908 4.838 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1 ZINC000000687466 206316832 /nfs/dbraw/zinc/31/68/32/206316832.db2.gz YXWPEHMWXISUGH-UHFFFAOYSA-N 0 0 389.274 4.783 50 0 GJAARN CCOc1ccc(-c2csc3ncn(-c4ccc(OCC)cc4)c(=O)c23)cc1 ZINC000000709072 206317487 /nfs/dbraw/zinc/31/74/87/206317487.db2.gz LOBOCWTUCIQOSD-UHFFFAOYSA-N 0 0 392.480 4.912 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(I)cc1 ZINC000000723580 206319299 /nfs/dbraw/zinc/31/92/99/206319299.db2.gz KYNOAOMVHBXTDA-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1 ZINC000000783650 206320009 /nfs/dbraw/zinc/32/00/09/206320009.db2.gz HBEFRDUZPZURDK-UHFFFAOYSA-N 0 0 393.468 4.665 50 0 GJAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2c2ccccc21 ZINC000000754975 206320899 /nfs/dbraw/zinc/32/08/99/206320899.db2.gz UJLFYDISOKCPGY-LIKPIUCQSA-N 0 0 385.850 4.737 50 0 GJAARN O=C(Oc1cc2ccccc2cc1OC(=O)N1CCCCC1)N1CCCCC1 ZINC000000795456 206321148 /nfs/dbraw/zinc/32/11/48/206321148.db2.gz ILKZPULLHNTFMW-UHFFFAOYSA-N 0 0 382.460 4.809 50 0 GJAARN O=c1oc2ccccc2cc1C1=NC2(CCCCC2)Cc2cc3c(cc21)OCO3 ZINC000000796491 206321302 /nfs/dbraw/zinc/32/13/02/206321302.db2.gz MAUKZSNVJQDCFR-UHFFFAOYSA-N 0 0 387.435 4.618 50 0 biogenic GJAARN Cc1ccc2nc(N3CCN(c4ccccc4)CC3)nc(-c3ccccc3)c2c1 ZINC000000843952 206326259 /nfs/dbraw/zinc/32/62/59/206326259.db2.gz SUFYCOVSWOSYGT-UHFFFAOYSA-N 0 0 380.495 4.932 50 0 GJAARN Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 ZINC000000837578 206326269 /nfs/dbraw/zinc/32/62/69/206326269.db2.gz JPIGMVRSWOKMLT-UHFFFAOYSA-N 0 0 379.304 4.616 50 0 GJAARN O=C(N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl)c1ccccn1 ZINC000000836884 206326419 /nfs/dbraw/zinc/32/64/19/206326419.db2.gz VWUNBPSXWCMXTP-KRWDZBQOSA-N 0 0 394.689 4.773 50 0 GJAARN COc1cc2nnc3c(c(-c4ccccc4)nn3-c3ccccc3)c2cc1OC ZINC000000848439 206327813 /nfs/dbraw/zinc/32/78/13/206327813.db2.gz AFYKAYUEUNLWMH-UHFFFAOYSA-N 0 0 382.423 4.653 50 0 GJAARN O=c1oc2ccc(Br)cc2cc1-c1cn2cc(Cl)ccc2n1 ZINC000000856317 206327952 /nfs/dbraw/zinc/32/79/52/206327952.db2.gz NXIRKRWBLKTSLB-UHFFFAOYSA-N 0 0 375.609 4.524 50 0 GJAARN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000000860965 206329029 /nfs/dbraw/zinc/32/90/29/206329029.db2.gz MHZYFKZBNOSZES-UHFFFAOYSA-N 0 0 378.284 4.976 50 0 GJAARN O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000000858233 206329036 /nfs/dbraw/zinc/32/90/36/206329036.db2.gz HPPMQOZJTCZBEW-UHFFFAOYSA-N 0 0 396.899 4.712 50 0 GJAARN CCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2CC12CCCC2 ZINC000000866553 206329571 /nfs/dbraw/zinc/32/95/71/206329571.db2.gz NOZAUCUBXIYKIL-UHFFFAOYSA-N 0 0 375.468 4.507 50 0 GJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc(F)cc1Cl ZINC000009036378 206305799 /nfs/dbraw/zinc/30/57/99/206305799.db2.gz QXWWIZXJAKLGAN-UHFFFAOYSA-N 0 0 398.821 4.523 50 0 GJAARN O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009072850 206305995 /nfs/dbraw/zinc/30/59/95/206305995.db2.gz UQMXDERRYBSBTN-UHFFFAOYSA-N 0 0 380.416 4.958 50 0 GJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 ZINC000009625392 206334144 /nfs/dbraw/zinc/33/41/44/206334144.db2.gz NZFLVIMACVJTDX-UHFFFAOYSA-N 0 0 394.500 4.894 50 0 GJAARN CCOC(=O)c1c(NC(=S)NC2CCCCC2)sc2c1CCCCC2 ZINC000000985711 206338356 /nfs/dbraw/zinc/33/83/56/206338356.db2.gz ARRHGHKPVAWUFB-UHFFFAOYSA-N 0 0 380.579 4.813 50 0 GJAARN COc1ccc(-c2csc3nc(-c4ccc(C)cc4)oc(=O)c23)cc1OC ZINC000000976787 206338647 /nfs/dbraw/zinc/33/86/47/206338647.db2.gz GVDZSWDAOUSYSV-UHFFFAOYSA-N 0 0 379.437 4.909 50 0 GJAARN CC(=O)N1c2ccccc2C(=O)O[C@@H]1c1sc(Cl)c(Cl)c1Cl ZINC000000986117 206338748 /nfs/dbraw/zinc/33/87/48/206338748.db2.gz XDZGAVGAXYDJCA-CYBMUJFWSA-N 0 0 376.648 4.930 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4[nH]3)n2)cc1 ZINC000000983705 206338800 /nfs/dbraw/zinc/33/88/00/206338800.db2.gz XFMNFWGLEHWVMX-UHFFFAOYSA-N 0 0 380.498 4.726 50 0 GJAARN O=C(Nc1ccccc1)c1ccccc1OC(=O)c1ccccc1Br ZINC000000991665 206339257 /nfs/dbraw/zinc/33/92/57/206339257.db2.gz IMZGCDAIALAIRY-UHFFFAOYSA-N 0 0 396.240 4.921 50 0 GJAARN COc1ccc(-n2cc(C(=O)c3ccc(-c4ccccc4)cc3)c(C(C)=O)n2)cc1 ZINC000000988047 206339811 /nfs/dbraw/zinc/33/98/11/206339811.db2.gz OVIVKCWPVDBDCT-UHFFFAOYSA-N 0 0 396.446 4.982 50 0 GJAARN Cc1sc(NC(=O)COc2ccc(Cl)cc2)c(C(=O)OC(C)C)c1C ZINC000000994987 206339875 /nfs/dbraw/zinc/33/98/75/206339875.db2.gz XSBZPSOPDXNKKD-UHFFFAOYSA-N 0 0 381.881 4.601 50 0 GJAARN CCOc1ccc(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001000380 206340925 /nfs/dbraw/zinc/34/09/25/206340925.db2.gz DIWDNCMBLVESJU-UHFFFAOYSA-N 0 0 396.512 4.807 50 0 GJAARN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)NCCc1ccc(F)cc1 ZINC000001026392 206341729 /nfs/dbraw/zinc/34/17/29/206341729.db2.gz WIBRNDGIUZBDNQ-UHFFFAOYSA-N 0 0 397.500 4.719 50 0 GJAARN O=C(Nc1cccnc1Sc1nc2cccnc2s1)c1ccc(F)cc1 ZINC000001029795 206342887 /nfs/dbraw/zinc/34/28/87/206342887.db2.gz DVNQERLRLBXLCL-UHFFFAOYSA-N 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207382231 /nfs/dbraw/zinc/38/22/31/207382231.db2.gz JFOXTOQYVMFDNM-UHFFFAOYSA-N 0 0 383.473 4.585 50 0 GJAARN CC(C)[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccs1 ZINC000031708069 207383644 /nfs/dbraw/zinc/38/36/44/207383644.db2.gz ARRWOVAKUDSIEQ-KRWDZBQOSA-N 0 0 375.519 4.696 50 0 GJAARN CCCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)c2ccccc12 ZINC000031904032 207389126 /nfs/dbraw/zinc/38/91/26/207389126.db2.gz MBCRYRMWAVRUKP-KRWDZBQOSA-N 0 0 375.534 4.972 50 0 GJAARN COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)c1ccco1 ZINC000032095049 207390617 /nfs/dbraw/zinc/39/06/17/207390617.db2.gz QHHQGJBFNHFGAL-UHFFFAOYSA-N 0 0 395.484 4.873 50 0 GJAARN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H](c2cccs2)C2CCCC2)C1 ZINC000032397244 207395373 /nfs/dbraw/zinc/39/53/73/207395373.db2.gz ATQNRRBJYOPOIL-FUHWJXTLSA-N 0 0 392.565 4.743 50 0 GJAARN CCCCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc21 ZINC000032593478 207397857 /nfs/dbraw/zinc/39/78/57/207397857.db2.gz KSLSFMBKWSDFNV-UHFFFAOYSA-N 0 0 392.455 4.827 50 0 GJAARN C[C@H](CNC(=O)CCCOc1ccccc1)c1nc2ccccc2n1C(F)F ZINC000032863751 207414851 /nfs/dbraw/zinc/41/48/51/207414851.db2.gz AHXJAVBBDQZDJX-OAHLLOKOSA-N 0 0 387.430 4.510 50 0 GJAARN COc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 ZINC000032623187 207399524 /nfs/dbraw/zinc/39/95/24/207399524.db2.gz KEXPMVIAJVTJSF-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NC3CCCC3)c2)nn1 ZINC000033131012 207441942 /nfs/dbraw/zinc/44/19/42/207441942.db2.gz KHHRRLGGDORPGW-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000033271841 207447128 /nfs/dbraw/zinc/44/71/28/207447128.db2.gz KJKICOIGSLGXJO-CYBMUJFWSA-N 0 0 380.498 4.634 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)NC[C@H](C)c3ccccc3)c(C)s2)n1 ZINC000033289987 207450335 /nfs/dbraw/zinc/45/03/35/207450335.db2.gz NJZSJRBDSOBRCC-LBPRGKRZSA-N 0 0 392.571 4.570 50 0 GJAARN COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000033293985 207450346 /nfs/dbraw/zinc/45/03/46/207450346.db2.gz 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CCc1c(C)nc(SCc2nc(-c3ccc(OC(C)C)cc3)oc2C)[nH]c1=O ZINC000035480796 207493085 /nfs/dbraw/zinc/49/30/85/207493085.db2.gz LKWFIMBLMDJWAI-UHFFFAOYSA-N 0 0 399.516 4.684 50 0 GJAARN Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cnn1C ZINC000036616968 207532144 /nfs/dbraw/zinc/53/21/44/207532144.db2.gz IDCZXWCWGNZCNI-UHFFFAOYSA-N 0 0 379.414 4.944 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3cccc(F)c3)c12 ZINC000036615778 207532299 /nfs/dbraw/zinc/53/22/99/207532299.db2.gz UNSKZHHRXJQJAY-UHFFFAOYSA-N 0 0 378.382 4.568 50 0 GJAARN CCCN(Cc1cc(-c2cc(C)ccc2C)on1)S(=O)(=O)c1ccc(C)cc1 ZINC000036005708 207507114 /nfs/dbraw/zinc/50/71/14/207507114.db2.gz XJTMJLVPADKOJY-UHFFFAOYSA-N 0 0 398.528 4.868 50 0 GJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2)n1 ZINC000036072305 207511893 /nfs/dbraw/zinc/51/18/93/207511893.db2.gz QJALWOBRZMPZSW-QGZVFWFLSA-N 0 0 395.478 4.544 50 0 GJAARN COc1ccc(N([C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000036246585 207517840 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CC(C)[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1nc2ccccc2[nH]1 ZINC000012628033 221216041 /nfs/dbraw/zinc/21/60/41/221216041.db2.gz IREHOFAKVNYOQZ-GOSISDBHSA-N 0 0 396.541 4.804 50 0 GJAARN CC(=O)c1ccc(OCC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1 ZINC000012628094 221216061 /nfs/dbraw/zinc/21/60/61/221216061.db2.gz IJNAEGNNXGXXPV-UHFFFAOYSA-N 0 0 399.450 4.530 50 0 GJAARN COc1cccc(N=C2NN=C(c3ccc(NC(=O)C(C)(C)C)cc3)CS2)c1 ZINC000012642848 221216849 /nfs/dbraw/zinc/21/68/49/221216849.db2.gz JXPWRGMMZMYHGT-UHFFFAOYSA-N 0 0 396.516 4.599 50 0 GJAARN CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000012654706 221216976 /nfs/dbraw/zinc/21/69/76/221216976.db2.gz OVPHOCZRFYDQJL-MDWZMJQESA-N 0 0 381.863 4.842 50 0 GJAARN CCc1c(C)sc2nc(SCCOC)n(-c3cc(C)ccc3C)c(=O)c12 ZINC000012738682 221222109 /nfs/dbraw/zinc/22/21/09/221222109.db2.gz BSJQWLOWTRNEFZ-UHFFFAOYSA-N 0 0 388.558 4.673 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1Cl ZINC000012737950 221222231 /nfs/dbraw/zinc/22/22/31/221222231.db2.gz 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ZINC000012759934 221226431 /nfs/dbraw/zinc/22/64/31/221226431.db2.gz YKLYXVWKARIBCU-LBPRGKRZSA-N 0 0 395.459 4.814 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2c(F)cccc2Cl)c1 ZINC000012761066 221227716 /nfs/dbraw/zinc/22/77/16/221227716.db2.gz RYFOHQLSKKVIDZ-SINXNMPMSA-N 0 0 389.854 4.873 50 0 GJAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012761335 221227874 /nfs/dbraw/zinc/22/78/74/221227874.db2.gz SDLGBWDAUJNBQT-MRXNPFEDSA-N 0 0 378.255 4.742 50 0 GJAARN COc1cccc(CC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 ZINC000012764890 221228397 /nfs/dbraw/zinc/22/83/97/221228397.db2.gz LCNPRTFKRXLDMZ-UHFFFAOYSA-N 0 0 380.425 4.853 50 0 GJAARN Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(Br)c1 ZINC000012793885 221232597 /nfs/dbraw/zinc/23/25/97/221232597.db2.gz FJKVONCFKUAEKK-AWEZNQCLSA-N 0 0 390.277 4.568 50 0 GJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1OC[C@@H]1CCCO1 ZINC000012904046 221244284 /nfs/dbraw/zinc/24/42/84/221244284.db2.gz AFWCAEGSCCCMAU-ZDUSSCGKSA-N 0 0 397.805 4.752 50 0 GJAARN CN(Cc1cccc(F)c1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012907386 221244387 /nfs/dbraw/zinc/24/43/87/221244387.db2.gz XFLJOTXOGRWNEH-UHFFFAOYSA-N 0 0 387.414 4.815 50 0 GJAARN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012819564 221237097 /nfs/dbraw/zinc/23/70/97/221237097.db2.gz DMISOKJPPVHPLE-UHFFFAOYSA-N 0 0 392.886 4.984 50 0 GJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000012868082 221240165 /nfs/dbraw/zinc/24/01/65/221240165.db2.gz HFOZYPLIYQQRTK-UHFFFAOYSA-N 0 0 394.421 4.733 50 0 GJAARN COc1cccc2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(=O)oc21 ZINC000012878155 221241292 /nfs/dbraw/zinc/24/12/92/221241292.db2.gz ZIKQHJXMVDLEOF-UHFFFAOYSA-N 0 0 388.301 4.537 50 0 GJAARN Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1C(F)(F)F ZINC000012892866 221241998 /nfs/dbraw/zinc/24/19/98/221241998.db2.gz GBOHIQAPCGUDBH-SFHVURJKSA-N 0 0 392.402 4.581 50 0 GJAARN CCOc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012927036 221247093 /nfs/dbraw/zinc/24/70/93/221247093.db2.gz JHNJYNSHVIICGT-HSZRJFAPSA-N 0 0 392.524 4.733 50 0 GJAARN O=C(Nc1ccc(NC(=O)c2cccs2)c(C(F)(F)F)c1)c1ccco1 ZINC000012939718 221248740 /nfs/dbraw/zinc/24/87/40/221248740.db2.gz QRORMUIYNOEABH-UHFFFAOYSA-N 0 0 380.347 4.865 50 0 GJAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1OCC(F)(F)F ZINC000012950062 221249716 /nfs/dbraw/zinc/24/97/16/221249716.db2.gz INBKANXQAUWXDA-UHFFFAOYSA-N 0 0 396.390 4.834 50 0 GJAARN COc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000012986180 221252757 /nfs/dbraw/zinc/25/27/57/221252757.db2.gz ZMOVFPICZZPXSI-LLVKDONJSA-N 0 0 398.286 4.852 50 0 GJAARN CC[C@H](CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1 ZINC000012985039 221253443 /nfs/dbraw/zinc/25/34/43/221253443.db2.gz FUCTVYRWJGHMKB-MRXNPFEDSA-N 0 0 378.497 4.924 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)cc1OC ZINC000012995407 221254507 /nfs/dbraw/zinc/25/45/07/221254507.db2.gz CRGRSBNIDSQODT-UHFFFAOYSA-N 0 0 395.440 4.529 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000013002552 221255540 /nfs/dbraw/zinc/25/55/40/221255540.db2.gz GAKOWHWEQUSSEV-GFCCVEGCSA-N 0 0 393.270 4.526 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)NCCc1ccc(-n2cccn2)cc1 ZINC000012915136 221245878 /nfs/dbraw/zinc/24/58/78/221245878.db2.gz XXNXWXLGYBKDCE-UHFFFAOYSA-N 0 0 395.506 4.753 50 0 GJAARN Cc1ccc(NC(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1F ZINC000013320237 221265132 /nfs/dbraw/zinc/26/51/32/221265132.db2.gz MBQUFIPPMYOIKU-UHFFFAOYSA-N 0 0 396.293 4.791 50 0 GJAARN Cc1cccc(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)n1 ZINC000013284594 221265215 /nfs/dbraw/zinc/26/52/15/221265215.db2.gz NMVYCTOYLLZKJP-GHRIWEEISA-N 0 0 389.842 4.683 50 0 GJAARN COc1ccccc1CNC(=O)[C@@H](C)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369672 221266936 /nfs/dbraw/zinc/26/69/36/221266936.db2.gz IIOZYAVWXJYMJF-QGZVFWFLSA-N 0 0 385.467 4.589 50 0 GJAARN Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1 ZINC000013006123 221256567 /nfs/dbraw/zinc/25/65/67/221256567.db2.gz 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221260675 /nfs/dbraw/zinc/26/06/75/221260675.db2.gz ZPOGLINUPNCKBI-UHFFFAOYSA-N 0 0 377.366 4.891 50 0 GJAARN CC(=O)c1ccc(O[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000013120464 221261818 /nfs/dbraw/zinc/26/18/18/221261818.db2.gz BXTRDBUZYFYSQG-AWEZNQCLSA-N 0 0 390.464 4.994 50 0 GJAARN Cn1c(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccnc2)n[nH]c1=S ZINC000013142691 221262410 /nfs/dbraw/zinc/26/24/10/221262410.db2.gz UCICTXASSIZLEY-UHFFFAOYSA-N 0 0 393.419 4.835 50 0 GJAARN Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)nc1 ZINC000013207169 221263093 /nfs/dbraw/zinc/26/30/93/221263093.db2.gz WNIOFERYZYWZNG-KGENOOAVSA-N 0 0 383.451 4.647 50 0 GJAARN O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CCc2ccccc21 ZINC000013644437 221277894 /nfs/dbraw/zinc/27/78/94/221277894.db2.gz SPZIPWPSVIHMDX-UHFFFAOYSA-N 0 0 390.446 4.752 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 ZINC000013788096 221289304 /nfs/dbraw/zinc/28/93/04/221289304.db2.gz QECCCMSZUYHTIT-UHFFFAOYSA-N 0 0 397.482 4.696 50 0 GJAARN 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O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cccnc1Cl ZINC000022462576 221560174 /nfs/dbraw/zinc/56/01/74/221560174.db2.gz IGQNSAKEISHIMA-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN O=C(c1cccc(F)c1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022675426 221567438 /nfs/dbraw/zinc/56/74/38/221567438.db2.gz FJVZVYKXNDPQSJ-UHFFFAOYSA-N 0 0 385.826 4.549 50 0 GJAARN O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000023130318 221584304 /nfs/dbraw/zinc/58/43/04/221584304.db2.gz CJJYOQAPVIFLJX-UHFFFAOYSA-N 0 0 378.394 4.512 50 0 GJAARN Cc1cccc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1 ZINC000023871160 221605022 /nfs/dbraw/zinc/60/50/22/221605022.db2.gz DBXLFMUYUDCFLJ-UHFFFAOYSA-N 0 0 393.414 4.509 50 0 GJAARN C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000024760718 221615855 /nfs/dbraw/zinc/61/58/55/221615855.db2.gz RWUCGFQLHFVBFI-GOSISDBHSA-N 0 0 399.494 4.920 50 0 GJAARN O=C(Nc1cccc(COc2cccc(F)c2)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000026011538 221635507 /nfs/dbraw/zinc/63/55/07/221635507.db2.gz DGRDMBVLBWKBGU-JWTNVVGKSA-N 0 0 381.447 4.739 50 0 GJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000026295627 221637957 /nfs/dbraw/zinc/63/79/57/221637957.db2.gz ZTFCLPNPYSPQIJ-UONOGXRCSA-N 0 0 382.348 4.968 50 0 GJAARN O=C(CSCc1ccc(Cl)s1)N[C@H](c1ccccc1)c1ccccn1 ZINC000029713590 221695844 /nfs/dbraw/zinc/69/58/44/221695844.db2.gz IBNWWBWOPUUGQW-LJQANCHMSA-N 0 0 388.945 4.936 50 0 GJAARN O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(N2CCCC2=O)cc1 ZINC000031700386 221713202 /nfs/dbraw/zinc/71/32/02/221713202.db2.gz NIEOMAWZURWMEO-UHFFFAOYSA-N 0 0 377.271 4.692 50 0 GJAARN O=C(NCCc1cccnc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000032349086 221721178 /nfs/dbraw/zinc/72/11/78/221721178.db2.gz WXHFWFDTPQIXEF-UHFFFAOYSA-N 0 0 385.389 4.817 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)C3CCCCC3)n2)cc1 ZINC000032744861 221730550 /nfs/dbraw/zinc/73/05/50/221730550.db2.gz OXZPIPQLHSBBKW-CQSZACIVSA-N 0 0 386.517 4.823 50 0 GJAARN CC(C)NC(=O)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2F)n1 ZINC000034713205 221802841 /nfs/dbraw/zinc/80/28/41/221802841.db2.gz ISWNMRNEKZRKIR-UHFFFAOYSA-N 0 0 388.439 4.806 50 0 GJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)c(C(F)(F)F)c2)no1 ZINC000032882480 221743421 /nfs/dbraw/zinc/74/34/21/221743421.db2.gz RJLWJCREUTYWGN-UHFFFAOYSA-N 0 0 391.349 4.537 50 0 GJAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)NC2CCCCC2)cc1 ZINC000032951005 221755540 /nfs/dbraw/zinc/75/55/40/221755540.db2.gz CARPIGJKDRBBBJ-UHFFFAOYSA-N 0 0 376.504 4.644 50 0 GJAARN Cc1ccc(-c2nnc3ccccc3c2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000032952865 221756671 /nfs/dbraw/zinc/75/66/71/221756671.db2.gz LBGQVVYZSCITTN-UHFFFAOYSA-N 0 0 397.434 4.629 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1F ZINC000032975192 221759535 /nfs/dbraw/zinc/75/95/35/221759535.db2.gz WJFIKOBPXVIZLX-UHFFFAOYSA-N 0 0 398.413 4.735 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000033012829 221764054 /nfs/dbraw/zinc/76/40/54/221764054.db2.gz DOOVGLHIJCPLJO-UHFFFAOYSA-N 0 0 389.386 4.707 50 0 GJAARN O=C(NCc1ccccc1Cl)c1cnc(N2CCCCC2)c2ccccc12 ZINC000033073230 221771238 /nfs/dbraw/zinc/77/12/38/221771238.db2.gz QMMAFUJUJXYKFK-UHFFFAOYSA-N 0 0 379.891 4.809 50 0 GJAARN Cc1cccc(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c32)c1 ZINC000033169964 221775280 /nfs/dbraw/zinc/77/52/80/221775280.db2.gz AACZGYWFPXRDCU-UHFFFAOYSA-N 0 0 388.496 4.973 50 0 GJAARN Cc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000033255270 221779238 /nfs/dbraw/zinc/77/92/38/221779238.db2.gz PPPQZKQCMXHJEK-UHFFFAOYSA-N 0 0 380.423 4.596 50 0 GJAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033290038 221784438 /nfs/dbraw/zinc/78/44/38/221784438.db2.gz RBQDAYSSZVHLHC-AWEZNQCLSA-N 0 0 384.592 4.750 50 0 GJAARN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)Nc1cccc(C(C)C)c1 ZINC000033312529 221786001 /nfs/dbraw/zinc/78/60/01/221786001.db2.gz YIFLMOQXBSYPCV-UHFFFAOYSA-N 0 0 380.517 4.976 50 0 GJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000035476405 221824600 /nfs/dbraw/zinc/82/46/00/221824600.db2.gz UJAVMUMSZSHCLI-FQEVSTJZSA-N 0 0 375.921 4.745 50 0 GJAARN CCN(CC)c1onc(-c2ccccc2)c1CN(Cc1ccccc1)C(C)=O ZINC000036208167 221846113 /nfs/dbraw/zinc/84/61/13/221846113.db2.gz IPWSREWFDNCQGA-UHFFFAOYSA-N 0 0 377.488 4.737 50 0 GJAARN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000036248387 221848114 /nfs/dbraw/zinc/84/81/14/221848114.db2.gz DNMDACOFWICELT-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccccc2F)n1 ZINC000036349865 221853764 /nfs/dbraw/zinc/85/37/64/221853764.db2.gz VXSVKTNBBIXLRD-UHFFFAOYSA-N 0 0 384.432 4.991 50 0 GJAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)c1 ZINC000036365186 221854714 /nfs/dbraw/zinc/85/47/14/221854714.db2.gz UMOHVQDHHWTODD-INIZCTEOSA-N 0 0 383.835 4.667 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)no2)cc1OC ZINC000036620529 221862478 /nfs/dbraw/zinc/86/24/78/221862478.db2.gz PRVOKYRPIYYABM-IBGZPJMESA-N 0 0 392.455 4.645 50 0 GJAARN FC(F)(F)c1cccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)c1 ZINC000036646766 221864920 /nfs/dbraw/zinc/86/49/20/221864920.db2.gz IUQYTMKRJMDLQO-UHFFFAOYSA-N 0 0 376.363 4.924 50 0 GJAARN c1csc(Cc2nnc(SC[C@H]3CCCCO3)n2CCc2ccccc2)c1 ZINC000039561298 221892786 /nfs/dbraw/zinc/89/27/86/221892786.db2.gz SRRTUPCNAWGFEJ-GOSISDBHSA-N 0 0 399.585 4.834 50 0 GJAARN O=C(Nc1ccccc1OC(F)F)c1cc2cc(Br)ccc2[nH]1 ZINC000040062123 221900673 /nfs/dbraw/zinc/90/06/73/221900673.db2.gz QHRMLRZVLMIBCQ-UHFFFAOYSA-N 0 0 381.176 4.784 50 0 GJAARN Cc1nc(NC(=O)CCSc2ncnc3sc(C)c(C)c32)sc1C ZINC000040288245 221919202 /nfs/dbraw/zinc/91/92/02/221919202.db2.gz YAGPRXVIAWHRLH-UHFFFAOYSA-N 0 0 378.548 4.502 50 0 GJAARN CC(C)[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)N1CCCC[C@@H]1C ZINC000042944761 221945656 /nfs/dbraw/zinc/94/56/56/221945656.db2.gz HQKCUOQSTQXDRT-KBXCAEBGSA-N 0 0 398.532 4.736 50 0 GJAARN Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000043037414 221946890 /nfs/dbraw/zinc/94/68/90/221946890.db2.gz BWJSFLQCQPPZPH-ROUUACIJSA-N 0 0 378.472 4.618 50 0 GJAARN CCOc1ccc(NC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 ZINC000038668215 221881926 /nfs/dbraw/zinc/88/19/26/221881926.db2.gz AZHNIVPVWFKMQZ-UHFFFAOYSA-N 0 0 385.464 4.712 50 0 GJAARN Cc1cc(C)n(CCCNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)n1 ZINC000057350023 222031025 /nfs/dbraw/zinc/03/10/25/222031025.db2.gz QQJIGZMEZOYJEA-JUJAOGAQSA-N 0 0 391.559 4.544 50 0 GJAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056747 221970241 /nfs/dbraw/zinc/97/02/41/221970241.db2.gz QFBQLYDYOWAPIX-SFHVURJKSA-N 0 0 393.874 4.760 50 0 GJAARN O=C(Nc1ccc(-c2nccs2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000048326628 221988130 /nfs/dbraw/zinc/98/81/30/221988130.db2.gz JZVOCNVJPRUZTC-HXUWFJFHSA-N 0 0 393.512 4.788 50 0 GJAARN CCOC(=O)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000049649293 222000983 /nfs/dbraw/zinc/00/09/83/222000983.db2.gz IOMCEWQTDYRYSG-JOCHJYFZSA-N 0 0 380.532 4.945 50 0 GJAARN COc1cc(OC)c(NC(=O)Nc2cccc(Br)c2)cc1Cl ZINC000051354375 222003819 /nfs/dbraw/zinc/00/38/19/222003819.db2.gz QJBNSTCVESILJY-UHFFFAOYSA-N 0 0 385.645 4.764 50 0 GJAARN CCc1cc2c(CN(Cc3ccco3)Cc3cccs3)cc(=O)oc2cc1O ZINC000057763547 222036111 /nfs/dbraw/zinc/03/61/11/222036111.db2.gz SWNRZVXNFSEOFH-UHFFFAOYSA-N 0 0 395.480 4.918 50 0 GJAARN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000055183088 222016615 /nfs/dbraw/zinc/01/66/15/222016615.db2.gz OLGYMRUNUSMBEB-INIZCTEOSA-N 0 0 399.947 4.991 50 0 GJAARN Fc1ccc(-c2csc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000055510591 222022858 /nfs/dbraw/zinc/02/28/58/222022858.db2.gz VJTZZMJRLADZRZ-QPJJXVBHSA-N 0 0 379.504 4.785 50 0 GJAARN Cc1sc(CNC(=O)c2ccc[nH]c2=S)nc1-c1ccc(Cl)cc1 ZINC000055426741 222022981 /nfs/dbraw/zinc/02/29/81/222022981.db2.gz LYVPMSUFYHGQDD-UHFFFAOYSA-N 0 0 375.906 4.760 50 0 GJAARN Cc1ccc(-c2ccnc3c(C(=O)NCc4ccccc4Cl)cnn32)cc1C ZINC000065026626 222094580 /nfs/dbraw/zinc/09/45/80/222094580.db2.gz BDZZBAUJUZEKEF-UHFFFAOYSA-N 0 0 390.874 4.597 50 0 GJAARN Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCc2ccc(Cl)cc2)n1 ZINC000065010169 222095471 /nfs/dbraw/zinc/09/54/71/222095471.db2.gz HBZUOZHDCUVVEY-UHFFFAOYSA-N 0 0 381.819 4.683 50 0 GJAARN CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)C(F)(F)F)cc21 ZINC000065033939 222095931 /nfs/dbraw/zinc/09/59/31/222095931.db2.gz FJXMHKBNRJIMHE-UHFFFAOYSA-N 0 0 378.325 4.940 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3C)C2)cc1C ZINC000065058676 222097981 /nfs/dbraw/zinc/09/79/81/222097981.db2.gz MQOGHKFYIOUJBS-DEOSSOPVSA-N 0 0 393.531 4.562 50 0 GJAARN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)n2)c1 ZINC000065135365 222102038 /nfs/dbraw/zinc/10/20/38/222102038.db2.gz HMDCSPWBMGIKFN-FQEVSTJZSA-N 0 0 389.474 4.540 50 0 GJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCC1CCCCC1 ZINC000065136733 222103648 /nfs/dbraw/zinc/10/36/48/222103648.db2.gz MHZNRUNWBYHLLP-GOSISDBHSA-N 0 0 389.515 4.546 50 0 GJAARN CCCCN(C)C(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000065136907 222103709 /nfs/dbraw/zinc/10/37/09/222103709.db2.gz XMLQWXVRPCCESX-INIZCTEOSA-N 0 0 379.932 4.623 50 0 GJAARN Cc1ccc(NC(=O)N2CCc3nc(-c4ccc(F)cc4)ncc3C2)c(Cl)c1 ZINC000065168905 222105096 /nfs/dbraw/zinc/10/50/96/222105096.db2.gz ZDNHOJCBESIOBO-UHFFFAOYSA-N 0 0 396.853 4.835 50 0 GJAARN Cc1ccc(-c2ncc(C(=O)NC3CCCCCC3)c(-c3ccncc3)n2)cc1 ZINC000065153843 222105193 /nfs/dbraw/zinc/10/51/93/222105193.db2.gz UYPBVUZNOZOKEL-UHFFFAOYSA-N 0 0 386.499 4.967 50 0 GJAARN CCCn1c(-c2cccc(C(=O)NCc3cccc(F)c3)c2)nc2cccnc21 ZINC000065172772 222106493 /nfs/dbraw/zinc/10/64/93/222106493.db2.gz VVMZQMMHOMWJKV-UHFFFAOYSA-N 0 0 388.446 4.577 50 0 GJAARN COc1cc(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)cc(OC)c1 ZINC000065184785 222107388 /nfs/dbraw/zinc/10/73/88/222107388.db2.gz GNLCUZDXVSXQJK-UHFFFAOYSA-N 0 0 383.473 4.773 50 0 GJAARN O=C(Nc1ccsc1-c1nnc(C2CC2)o1)c1cccc(Br)c1 ZINC000065218643 222111341 /nfs/dbraw/zinc/11/13/41/222111341.db2.gz USYSBWHUTUGEMP-UHFFFAOYSA-N 0 0 390.262 4.690 50 0 GJAARN CC(C)Cn1ccc2cc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)ccc21 ZINC000058026668 222036918 /nfs/dbraw/zinc/03/69/18/222036918.db2.gz GGTFZKNPCKRAOF-CQSZACIVSA-N 0 0 393.512 4.982 50 0 GJAARN O=C(Nc1cccc(Cl)c1)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000058007037 222037136 /nfs/dbraw/zinc/03/71/36/222037136.db2.gz GGWABOGOZYYEAJ-UHFFFAOYSA-N 0 0 383.835 4.691 50 0 GJAARN COc1cc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc(Cl)c1O ZINC000058088833 222039197 /nfs/dbraw/zinc/03/91/97/222039197.db2.gz XWBNOFCIKUIBKK-NTUHNPAUSA-N 0 0 377.227 4.748 50 0 GJAARN Cc1ccccc1C(=O)NC1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000058061342 222039622 /nfs/dbraw/zinc/03/96/22/222039622.db2.gz UAPVPRUTOKPBSG-UHFFFAOYSA-N 0 0 377.513 4.517 50 0 GJAARN CC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000058216372 222045975 /nfs/dbraw/zinc/04/59/75/222045975.db2.gz PNKINKRTWNATOP-IBGZPJMESA-N 0 0 383.517 4.630 50 0 GJAARN Cc1ccc(C)c(N(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)C(C)C)c1 ZINC000058266768 222046935 /nfs/dbraw/zinc/04/69/35/222046935.db2.gz GMQHOXPRQIOQAT-GOSISDBHSA-N 0 0 384.545 4.659 50 0 GJAARN COCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)c1ccccc1 ZINC000058298067 222048751 /nfs/dbraw/zinc/04/87/51/222048751.db2.gz CUFHDYCETLCCHF-CQSZACIVSA-N 0 0 381.303 4.642 50 0 GJAARN O=C(/C=C/c1c(F)cccc1F)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000058356523 222050653 /nfs/dbraw/zinc/05/06/53/222050653.db2.gz HOWXZQHMGWDETL-ZHACJKMWSA-N 0 0 379.410 4.817 50 0 GJAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000058402942 222052151 /nfs/dbraw/zinc/05/21/51/222052151.db2.gz KWLNUBYHNFMSAG-INIZCTEOSA-N 0 0 381.501 4.880 50 0 GJAARN COc1c(C)cnc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)c1C ZINC000058413560 222052302 /nfs/dbraw/zinc/05/23/02/222052302.db2.gz DAUXNWHJPDMYDH-UHFFFAOYSA-N 0 0 392.524 4.806 50 0 GJAARN COc1ccccc1OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000058402708 222052797 /nfs/dbraw/zinc/05/27/97/222052797.db2.gz YHCKACAPPFXUQH-UHFFFAOYSA-N 0 0 386.407 4.940 50 0 GJAARN CC1=NN(c2ccc(C(=O)OCc3csc(-c4ccsc4)n3)cc2)CC1 ZINC000058502394 222054466 /nfs/dbraw/zinc/05/44/66/222054466.db2.gz UYAYGKOMYLHTNQ-UHFFFAOYSA-N 0 0 383.498 4.815 50 0 GJAARN CC(=O)CCc1ccc(OS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000058646400 222055757 /nfs/dbraw/zinc/05/57/57/222055757.db2.gz QNGHWHXOKWMEKQ-UHFFFAOYSA-N 0 0 380.465 4.643 50 0 GJAARN C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C(F)(F)F)o1 ZINC000058791423 222056436 /nfs/dbraw/zinc/05/64/36/222056436.db2.gz AJNGRYTXNMCFSY-WFASDCNBSA-N 0 0 399.434 4.775 50 0 GJAARN C[C@@H](c1ccc(F)cc1)N(C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000059831896 222058305 /nfs/dbraw/zinc/05/83/05/222058305.db2.gz ZBLCGWCQABYAEN-JTQLQIEISA-N 0 0 396.285 4.893 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000059746067 222058541 /nfs/dbraw/zinc/05/85/41/222058541.db2.gz IVLXMXYEEYVLET-SJLPKXTDSA-N 0 0 382.479 4.830 50 0 GJAARN CN(C(=O)c1cc(Br)cnc1Cl)c1cccc2ccccc21 ZINC000060365072 222059748 /nfs/dbraw/zinc/05/97/48/222059748.db2.gz XEAMVPUMDQONMY-UHFFFAOYSA-N 0 0 375.653 4.927 50 0 GJAARN Cc1cc(C)c2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCC[C@@H]3C)c2c1 ZINC000063869437 222068610 /nfs/dbraw/zinc/06/86/10/222068610.db2.gz KDZMVPXINUCWRC-KRWDZBQOSA-N 0 0 376.504 4.921 50 0 GJAARN Cc1cc(C)c2nc(-c3cnn(C(C)(C)C)c3)cc(C(=O)N(C)C(C)C)c2c1 ZINC000063871962 222069214 /nfs/dbraw/zinc/06/92/14/222069214.db2.gz OGBBUDJTXNJTAG-UHFFFAOYSA-N 0 0 378.520 4.951 50 0 GJAARN CCC[C@@H](C)N(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 ZINC000063855842 222069306 /nfs/dbraw/zinc/06/93/06/222069306.db2.gz QPCBZINZJUNECK-MRXNPFEDSA-N 0 0 376.504 4.959 50 0 GJAARN CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCCC[C@H]3C)c2C)cn1 ZINC000063869946 222069740 /nfs/dbraw/zinc/06/97/40/222069740.db2.gz FDKBGVCJCIKTGP-MRXNPFEDSA-N 0 0 376.504 4.750 50 0 GJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(C)ccc1OC ZINC000064438981 222070806 /nfs/dbraw/zinc/07/08/06/222070806.db2.gz OWPKPVHQDQYDEU-UHFFFAOYSA-N 0 0 379.460 4.605 50 0 GJAARN Cc1ccc(Cl)cc1Nc1c(C(=O)N2CCOCC2)cnc2ccc(F)cc21 ZINC000064471661 222071213 /nfs/dbraw/zinc/07/12/13/222071213.db2.gz LYNPZNIPVHGAFV-UHFFFAOYSA-N 0 0 399.853 4.552 50 0 GJAARN CCOC(=O)c1c(C)oc2nc(CS[C@H]3CCCc4ccccc43)nc(N)c21 ZINC000064331838 222071496 /nfs/dbraw/zinc/07/14/96/222071496.db2.gz UVAJXUWIEXFZPX-HNNXBMFYSA-N 0 0 397.500 4.601 50 0 GJAARN CCOc1ccccc1Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc21 ZINC000064471807 222072736 /nfs/dbraw/zinc/07/27/36/222072736.db2.gz SXBOPMGPWYGDNE-UHFFFAOYSA-N 0 0 379.435 4.752 50 0 GJAARN CC1CCN(C(=O)c2cccc(Oc3cc(-c4ccc(F)cc4)ncn3)c2)CC1 ZINC000064578614 222074750 /nfs/dbraw/zinc/07/47/50/222074750.db2.gz WLEMQSUJTGCVFB-UHFFFAOYSA-N 0 0 391.446 4.947 50 0 GJAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1c(C(=O)OC)cc2ccsc21 ZINC000064659270 222076536 /nfs/dbraw/zinc/07/65/36/222076536.db2.gz HXPWULRFZATKTP-CQSZACIVSA-N 0 0 376.865 4.733 50 0 GJAARN CCCc1cc(Nc2ccc(OC)c(Cl)c2)n2nc(-c3ccco3)nc2n1 ZINC000064592785 222077038 /nfs/dbraw/zinc/07/70/38/222077038.db2.gz PKQJCTTYMQVHQG-UHFFFAOYSA-N 0 0 383.839 4.742 50 0 GJAARN CC1CCN(C(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000064606031 222077052 /nfs/dbraw/zinc/07/70/52/222077052.db2.gz YFMZKLSNSJGZSK-UHFFFAOYSA-N 0 0 390.462 4.898 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)n2C)sc1C ZINC000064668354 222077395 /nfs/dbraw/zinc/07/73/95/222077395.db2.gz ZMOZIKLVISALOU-UHFFFAOYSA-N 0 0 395.937 4.528 50 0 GJAARN CC(C)CCn1cnc2c(-c3ccc(Br)cc3)csc2c1=O ZINC000064667787 222078406 /nfs/dbraw/zinc/07/84/06/222078406.db2.gz DGLKYHSQVBWDAX-UHFFFAOYSA-N 0 0 377.307 4.934 50 0 GJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)n1 ZINC000064747581 222080475 /nfs/dbraw/zinc/08/04/75/222080475.db2.gz UAGSKCMZKUDKQB-SFHVURJKSA-N 0 0 392.459 4.731 50 0 GJAARN COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c32)cc1 ZINC000064758000 222081029 /nfs/dbraw/zinc/08/10/29/222081029.db2.gz HNULBMAILXIYQL-UHFFFAOYSA-N 0 0 396.516 4.641 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)n1 ZINC000064801253 222082199 /nfs/dbraw/zinc/08/21/99/222082199.db2.gz GGHODSKPTJEZDZ-UHFFFAOYSA-N 0 0 376.464 4.913 50 0 GJAARN Cc1ccc(NC(=O)CSc2ccc(NCc3ccccc3)nn2)cc1Cl ZINC000064944732 222089661 /nfs/dbraw/zinc/08/96/61/222089661.db2.gz ZQLXVUKURJWZGS-UHFFFAOYSA-N 0 0 398.919 4.781 50 0 GJAARN CCCCOc1ccccc1-c1cc2c(=O)n(Cc3cccc(F)c3)ccn2n1 ZINC000064977389 222092186 /nfs/dbraw/zinc/09/21/86/222092186.db2.gz SNLRDRSLPRZTIZ-UHFFFAOYSA-N 0 0 391.446 4.529 50 0 GJAARN CCCCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C)c4)ccn3n2)cc1 ZINC000064977370 222092248 /nfs/dbraw/zinc/09/22/48/222092248.db2.gz SZTRXYRJFOIRAU-UHFFFAOYSA-N 0 0 387.483 4.699 50 0 GJAARN O=C(Cn1cnc(-c2nc(-c3ccccc3)cs2)c1)Nc1ccc(Cl)cc1 ZINC000065250486 222116087 /nfs/dbraw/zinc/11/60/87/222116087.db2.gz IWWNCCDULDQYFE-UHFFFAOYSA-N 0 0 394.887 4.966 50 0 GJAARN CC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2Cc2cccs2)c1C ZINC000065376443 222126906 /nfs/dbraw/zinc/12/69/06/222126906.db2.gz XSSHDCAUSMZGPZ-UHFFFAOYSA-N 0 0 390.512 4.835 50 0 GJAARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1cccc(NCc2ccccn2)c1C ZINC000065430030 222130693 /nfs/dbraw/zinc/13/06/93/222130693.db2.gz PUCAOQLOGTZALF-QGZVFWFLSA-N 0 0 389.503 4.730 50 0 GJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)c(F)c3)c12 ZINC000065489930 222131184 /nfs/dbraw/zinc/13/11/84/222131184.db2.gz SIDPINQQHNEBMZ-UHFFFAOYSA-N 0 0 384.798 4.582 50 0 GJAARN CCc1csc(CCn2cnc(-c3ccccc3)c2-c2ccc(CO)o2)n1 ZINC000065464019 222131882 /nfs/dbraw/zinc/13/18/82/222131882.db2.gz WOTZBAJUUHRDMY-UHFFFAOYSA-N 0 0 379.485 4.564 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000065515385 222133543 /nfs/dbraw/zinc/13/35/43/222133543.db2.gz LIPYMZAIMQPZIC-QMMMGPOBSA-N 0 0 382.873 4.661 50 0 GJAARN CSc1ccc(-c2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)cc1 ZINC000067246279 222142693 /nfs/dbraw/zinc/14/26/93/222142693.db2.gz JJPVBSKFIFSGKI-UHFFFAOYSA-N 0 0 384.848 4.753 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1C ZINC000067290226 222144011 /nfs/dbraw/zinc/14/40/11/222144011.db2.gz MFOXFFJQTPTGRG-UHFFFAOYSA-N 0 0 394.525 4.805 50 0 GJAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)c(F)c1 ZINC000067296077 222144110 /nfs/dbraw/zinc/14/41/10/222144110.db2.gz LKELBTKOMXKSQJ-NKFKGCMQSA-N 0 0 383.379 4.652 50 0 GJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(C)cc(C)c3)oc21 ZINC000067293438 222144180 /nfs/dbraw/zinc/14/41/80/222144180.db2.gz LSXYTDVRDLVQIA-LCUIJRPUSA-N 0 0 399.450 4.938 50 0 GJAARN COc1ccc2oc(/C=C/C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2c1 ZINC000067339617 222145184 /nfs/dbraw/zinc/14/51/84/222145184.db2.gz MVVRALMSVIGEMI-PKNBQFBNSA-N 0 0 379.412 4.659 50 0 GJAARN O=C(c1c[nH]c2ccccc12)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067675553 222154790 /nfs/dbraw/zinc/15/47/90/222154790.db2.gz RTPWOBUUDUPKBR-UHFFFAOYSA-N 0 0 388.446 4.717 50 0 GJAARN COC[C@H]1CCCN(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)nc2)C1 ZINC000067688708 222155562 /nfs/dbraw/zinc/15/55/62/222155562.db2.gz ZGXQJBPANXMIRJ-ZDUSSCGKSA-N 0 0 379.287 4.554 50 0 GJAARN Cc1oc(-c2ccccc2Cl)nc1Cn1cc(CO)c(-c2cccs2)n1 ZINC000067757408 222157869 /nfs/dbraw/zinc/15/78/69/222157869.db2.gz ZYOBQNJAHGWXBM-UHFFFAOYSA-N 0 0 385.876 4.769 50 0 GJAARN O=C(c1ccc(-c2ccccc2CO)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067790584 222159845 /nfs/dbraw/zinc/15/98/45/222159845.db2.gz WQHQQEWOJGFVMB-FQEVSTJZSA-N 0 0 386.495 4.651 50 0 GJAARN O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067884253 222165787 /nfs/dbraw/zinc/16/57/87/222165787.db2.gz HSAGSNQDGQUPAF-IBGZPJMESA-N 0 0 387.266 4.755 50 0 GJAARN CCCc1nc(C(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)cs1 ZINC000067908044 222167928 /nfs/dbraw/zinc/16/79/28/222167928.db2.gz YGUPXQFGDYCZJH-MRXNPFEDSA-N 0 0 380.517 4.506 50 0 GJAARN Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C(C)C ZINC000069009214 222172694 /nfs/dbraw/zinc/17/26/94/222172694.db2.gz WVDKATUGYPVZOT-UHFFFAOYSA-N 0 0 396.318 4.703 50 0 GJAARN O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000069377009 222172709 /nfs/dbraw/zinc/17/27/09/222172709.db2.gz GXDRYRBDMQAHDG-INIZCTEOSA-N 0 0 378.476 4.618 50 0 GJAARN O=C(CN1CCC[C@H]1c1ccc(O)cc1)Nc1c(Cl)cccc1C(F)(F)F ZINC000069565925 222173965 /nfs/dbraw/zinc/17/39/65/222173965.db2.gz XACWVNXJVCPYBK-INIZCTEOSA-N 0 0 398.812 4.840 50 0 GJAARN CCN(Cc1cccs1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000069767309 222174123 /nfs/dbraw/zinc/17/41/23/222174123.db2.gz XYCZCTRQAGMCIO-UHFFFAOYSA-N 0 0 377.872 4.697 50 0 GJAARN O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000070012435 222175820 /nfs/dbraw/zinc/17/58/20/222175820.db2.gz VLLKWGAQMIIDOG-SFHVURJKSA-N 0 0 398.466 4.770 50 0 GJAARN Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1 ZINC000071422371 222185620 /nfs/dbraw/zinc/18/56/20/222185620.db2.gz XHCTWYPJVGSJFK-GOSISDBHSA-N 0 0 389.499 4.576 50 0 GJAARN CNc1nc(NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)ncc1F ZINC000071759821 222193892 /nfs/dbraw/zinc/19/38/92/222193892.db2.gz APRNXHATUHFOCY-UHFFFAOYSA-N 0 0 379.414 4.865 50 0 GJAARN O=C(CCc1ccccc1)NC1CCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000071843979 222200263 /nfs/dbraw/zinc/20/02/63/222200263.db2.gz MAXHBJAKURPUEK-UHFFFAOYSA-N 0 0 397.588 4.514 50 0 GJAARN Cc1[nH]c2c(c1CCNC(=O)c1ccccc1Br)c(C)ccc2C ZINC000072265339 222219146 /nfs/dbraw/zinc/21/91/46/222219146.db2.gz VIKXAZQVTOKEFY-UHFFFAOYSA-N 0 0 385.305 4.828 50 0 GJAARN O=C(Nc1ccc(CN(C(=O)c2ccco2)c2ccccc2)cc1)c1ccco1 ZINC000072307975 222221392 /nfs/dbraw/zinc/22/13/92/222221392.db2.gz QJOPHUUYOBSFOU-UHFFFAOYSA-N 0 0 386.407 4.972 50 0 GJAARN O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F ZINC000072312863 222224461 /nfs/dbraw/zinc/22/44/61/222224461.db2.gz ZEBOOJAABBJKHQ-UHFFFAOYSA-N 0 0 383.313 4.666 50 0 GJAARN Cn1ccc2c1cccc2NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000072324889 222227814 /nfs/dbraw/zinc/22/78/14/222227814.db2.gz BOEBUSDICASEQX-UHFFFAOYSA-N 0 0 382.261 4.534 50 0 biogenic GJAARN CCCCOc1ccccc1-c1cc(C(=O)N[C@H]2CCc3ccccc32)[nH]n1 ZINC000072331607 222230573 /nfs/dbraw/zinc/23/05/73/222230573.db2.gz FNALCNOTSBORCF-IBGZPJMESA-N 0 0 375.472 4.673 50 0 GJAARN O=C1N=C(Nc2cccc(Cl)c2)C(=Cc2cc3ccccc3[nH]c2=O)S1 ZINC000072401122 222253490 /nfs/dbraw/zinc/25/34/90/222253490.db2.gz GCYNSYUETPDLPE-SXGWCWSVSA-N 0 0 381.844 4.900 50 0 GJAARN COc1ccc2ncc(-c3cc(NCc4ccccn4)nc4[nH]ccc43)cc2c1 ZINC000072422158 222257993 /nfs/dbraw/zinc/25/79/93/222257993.db2.gz INYHTPMSMNUEQN-UHFFFAOYSA-N 0 0 381.439 4.794 50 0 GJAARN Cc1cccc(NC(=O)Cc2c(C)nc3nc(C4CCCCC4)nn3c2C)c1C ZINC000086070103 222328078 /nfs/dbraw/zinc/32/80/78/222328078.db2.gz HSFNKIPNFDRVOJ-UHFFFAOYSA-N 0 0 391.519 4.587 50 0 GJAARN Cc1ccc2[nH]c(C3CN(C(=O)Cc4ccc(SC(C)C)cc4)C3)nc2c1 ZINC000077099563 222272370 /nfs/dbraw/zinc/27/23/70/222272370.db2.gz ABRXOWAYKPZCRO-UHFFFAOYSA-N 0 0 379.529 4.540 50 0 GJAARN FC(F)(F)c1nnc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000077198039 222275728 /nfs/dbraw/zinc/27/57/28/222275728.db2.gz JYCJKZTWUUGBBM-UHFFFAOYSA-N 0 0 380.197 4.775 50 0 GJAARN CC(C)n1ncc2c1NC(=O)CS[C@@H]2c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000079490078 222306624 /nfs/dbraw/zinc/30/66/24/222306624.db2.gz HVZFYNQRNBLWKF-QGZVFWFLSA-N 0 0 387.896 4.932 50 0 GJAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cccc(C)c1C ZINC000082086485 222308866 /nfs/dbraw/zinc/30/88/66/222308866.db2.gz ZTUASSOBQUQPQZ-JOCHJYFZSA-N 0 0 391.515 4.806 50 0 GJAARN C[C@H](OC(=O)/C=C\c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000096467125 222420867 /nfs/dbraw/zinc/42/08/67/222420867.db2.gz WWIBQISRTJTPQA-UQTJOTSZSA-N 0 0 396.443 4.533 50 0 GJAARN COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)o1 ZINC000095948085 222362544 /nfs/dbraw/zinc/36/25/44/222362544.db2.gz FHLMMMDNQJJHDU-UHFFFAOYSA-N 0 0 392.333 4.533 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000095945971 222362699 /nfs/dbraw/zinc/36/26/99/222362699.db2.gz MRSSCPCWXXTGNX-BTYIYWSLSA-N 0 0 382.479 4.636 50 0 GJAARN O=C([C@H]1CSc2ccccc2O1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000095957717 222363481 /nfs/dbraw/zinc/36/34/81/222363481.db2.gz WTKIMGBPTUWFDP-QGZVFWFLSA-N 0 0 393.430 4.750 50 0 GJAARN O[C@H](Cn1c2ccccc2nc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000095951625 222364077 /nfs/dbraw/zinc/36/40/77/222364077.db2.gz CXSISJJNERJDPP-CQSZACIVSA-N 0 0 390.283 4.687 50 0 GJAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 ZINC000095957257 222364253 /nfs/dbraw/zinc/36/42/53/222364253.db2.gz VRBFCFUIINLEKY-PMACEKPBSA-N 0 0 387.483 4.809 50 0 GJAARN COc1ccc(C)cc1CSCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000095958443 222364406 /nfs/dbraw/zinc/36/44/06/222364406.db2.gz HEGZHFCQPSLDPF-UHFFFAOYSA-N 0 0 395.528 4.678 50 0 GJAARN O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccccc1Cl ZINC000095958217 222364497 /nfs/dbraw/zinc/36/44/97/222364497.db2.gz BZEMTYUXUUQARB-UHFFFAOYSA-N 0 0 394.631 4.884 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)c3ccc4nnc(C(F)F)n4c3)n2)c(C)c1 ZINC000095965822 222365838 /nfs/dbraw/zinc/36/58/38/222365838.db2.gz HVQYSNVBPDVYGK-UHFFFAOYSA-N 0 0 399.426 4.660 50 0 GJAARN Cc1nnc(-c2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)c2)o1 ZINC000095961686 222366004 /nfs/dbraw/zinc/36/60/04/222366004.db2.gz HZHZFKTWYRXQEM-UHFFFAOYSA-N 0 0 394.431 4.868 50 0 GJAARN O=C(Nc1cc(CSCCO)ccn1)c1cc(-c2ccccc2)ccc1Cl ZINC000095979243 222367492 /nfs/dbraw/zinc/36/74/92/222367492.db2.gz NNKXZDFTLTYTDG-UHFFFAOYSA-N 0 0 398.915 4.880 50 0 GJAARN Cc1noc(-c2ccccc2)c1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000096011804 222371080 /nfs/dbraw/zinc/37/10/80/222371080.db2.gz GXIZUJRKGOMWMB-UHFFFAOYSA-N 0 0 390.361 4.521 50 0 GJAARN Cc1ccc(-c2noc(CCN(CC(C)C)C(=O)/C=C/c3ccccc3)n2)cc1 ZINC000096096049 222378368 /nfs/dbraw/zinc/37/83/68/222378368.db2.gz ORRBIIOSWDGMIP-SDNWHVSQSA-N 0 0 389.499 4.786 50 0 GJAARN Cc1noc(Cc2ccccc2NC(=O)Cc2ccc(SC(C)C)cc2)n1 ZINC000096097067 222380302 /nfs/dbraw/zinc/38/03/02/222380302.db2.gz KJTQBGRLEAPTSR-UHFFFAOYSA-N 0 0 381.501 4.651 50 0 GJAARN O=C(Cc1ccccc1Cl)NCCn1nc(-c2cccs2)cc1C1CC1 ZINC000096121603 222383645 /nfs/dbraw/zinc/38/36/45/222383645.db2.gz LDGUIEDHOIRUGX-UHFFFAOYSA-N 0 0 385.920 4.501 50 0 GJAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn21 ZINC000096194233 222397044 /nfs/dbraw/zinc/39/70/44/222397044.db2.gz RDWCIKROJFSGRS-UHFFFAOYSA-N 0 0 375.457 4.640 50 0 GJAARN CCCCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)CC)ccc21 ZINC000096278690 222407401 /nfs/dbraw/zinc/40/74/01/222407401.db2.gz NEBIULJJEAWHSO-UHFFFAOYSA-N 0 0 377.488 4.720 50 0 GJAARN COc1ccc([C@H](CC(N)=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096275441 222407550 /nfs/dbraw/zinc/40/75/50/222407550.db2.gz UBNQHFVYJIYGDQ-QFIPXVFZSA-N 0 0 384.479 4.706 50 0 GJAARN Cc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)o1 ZINC000096386170 222417252 /nfs/dbraw/zinc/41/72/52/222417252.db2.gz ODLCKBDQPIHGGW-UHFFFAOYSA-N 0 0 385.467 4.738 50 0 GJAARN COc1cc(C)c(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC ZINC000097013746 222434391 /nfs/dbraw/zinc/43/43/91/222434391.db2.gz ASITZGXMFREUBV-UHFFFAOYSA-N 0 0 396.468 4.591 50 0 GJAARN O=C(/C=C\c1cccs1)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000097044262 222436075 /nfs/dbraw/zinc/43/60/75/222436075.db2.gz MBVOIULLVCNQOH-QKIRZYONSA-N 0 0 395.311 4.698 50 0 GJAARN COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000169685728 222538555 /nfs/dbraw/zinc/53/85/55/222538555.db2.gz QNCPMJBPCJZYDS-UWJYYQICSA-N 0 0 382.366 4.809 50 0 GJAARN O=C(c1ccc2nsnc2c1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206994785 222570421 /nfs/dbraw/zinc/57/04/21/222570421.db2.gz CZMGCJFKVJVASZ-KRWDZBQOSA-N 0 0 389.933 4.665 50 0 GJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000005439975 517731895 /nfs/dbraw/zinc/73/18/95/517731895.db2.gz GFEJTCODTBNDGW-UHFFFAOYSA-N 0 0 388.467 4.926 50 0 GJAARN O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)c1ccccc1F ZINC000058232212 518200894 /nfs/dbraw/zinc/20/08/94/518200894.db2.gz AIKZMMBXMSWVKJ-UHFFFAOYSA-N 0 0 394.631 4.884 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615434 534386203 /nfs/dbraw/zinc/38/62/03/534386203.db2.gz CAZNEMORAWJZOJ-CQSZACIVSA-N 0 0 386.732 4.630 50 0 GJAARN CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253500037 519690992 /nfs/dbraw/zinc/69/09/92/519690992.db2.gz UORSHAGGYHADPG-GKBQXGCYSA-N 0 0 387.564 4.632 50 0 biogenic GJAARN Fc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccccc2)c(F)c1 ZINC000006402958 534457922 /nfs/dbraw/zinc/45/79/22/534457922.db2.gz CZXLDRIHLJSNRU-MRXNPFEDSA-N 0 0 387.455 4.874 50 0 GJAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000090613582 534664129 /nfs/dbraw/zinc/66/41/29/534664129.db2.gz KBJGYZWQCQCPKT-IPAUSASBSA-N 0 0 387.570 4.724 50 0 GJAARN C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000033873437 524117181 /nfs/dbraw/zinc/11/71/81/524117181.db2.gz CDGBGSHPXVALFF-MRXNPFEDSA-N 0 0 382.485 4.572 50 0 GJAARN Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2cccc3cccnc23)c(Cl)c1 ZINC000014811786 524287845 /nfs/dbraw/zinc/28/78/45/524287845.db2.gz VNEJDAZDQWCVOC-CMDGGOBGSA-N 0 0 394.858 4.700 50 0 GJAARN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCc4sccc4[C@H]3C)c2)C1 ZINC000240744070 524317618 /nfs/dbraw/zinc/31/76/18/524317618.db2.gz HUHYKTAPOIXUSS-MBOZVWFJSA-N 0 0 398.572 5.995 50 0 GJAARN C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1)c1ccccc1 ZINC000241231135 524438584 /nfs/dbraw/zinc/43/85/84/524438584.db2.gz KSJHQVXTFYGNND-BHIYHBOVSA-N 0 0 378.541 5.490 50 0 GJAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000025183465 527349130 /nfs/dbraw/zinc/34/91/30/527349130.db2.gz LGXKYEUZKIUDBZ-UHFFFAOYSA-N 0 0 394.434 4.992 50 0 GJAARN O=C(Nc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000793419 527416365 /nfs/dbraw/zinc/41/63/65/527416365.db2.gz HHLGYMNKUPPIBP-UHFFFAOYSA-N 0 0 383.801 4.713 50 0 GJAARN CCCc1nnc(SCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)o1 ZINC000121979251 528780115 /nfs/dbraw/zinc/78/01/15/528780115.db2.gz VSXZDGNMGLWMSQ-UHFFFAOYSA-N 0 0 392.481 4.595 50 0 GJAARN CC[C@H](SC1=NCCS1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000004813614 529176097 /nfs/dbraw/zinc/17/60/97/529176097.db2.gz FWFVQYBFBPFQAD-ZDUSSCGKSA-N 0 0 377.560 4.672 50 0 GJAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3)C2=O)cc1 ZINC000100344641 536665059 /nfs/dbraw/zinc/66/50/59/536665059.db2.gz WZLKNMMUTDGEBA-PXLXIMEGSA-N 0 0 384.435 4.644 50 0 GJAARN COc1ccc2ccc(OCC(=O)Nc3ccc(N4CCCCC4)cc3)cc2c1 ZINC000039964464 537039682 /nfs/dbraw/zinc/03/96/82/537039682.db2.gz NONHJSQMWQIOIA-UHFFFAOYSA-N 0 0 390.483 4.856 50 0 GJAARN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000047986366 570216574 /nfs/dbraw/zinc/21/65/74/570216574.db2.gz VGKACDJPKSIUSN-AWEZNQCLSA-N 0 0 377.444 4.516 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000000681035 570216899 /nfs/dbraw/zinc/21/68/99/570216899.db2.gz HBFQSKFUKYPZBE-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000000682201 570217186 /nfs/dbraw/zinc/21/71/86/570217186.db2.gz WQRHJHOASPAJEZ-UHFFFAOYSA-N 0 0 379.843 4.897 50 0 GJAARN O=C(NCCSC1CCCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000048099202 570218003 /nfs/dbraw/zinc/21/80/03/570218003.db2.gz ZJOIEVYIKWNDGL-UHFFFAOYSA-N 0 0 389.565 4.500 50 0 GJAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1cccc(Cl)c1 ZINC000004304999 570218175 /nfs/dbraw/zinc/21/81/75/570218175.db2.gz ZYVDSRLBBLNBBV-LJQANCHMSA-N 0 0 381.863 4.859 50 0 GJAARN Cc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000000704071 570218631 /nfs/dbraw/zinc/21/86/31/570218631.db2.gz XCTWRZBEUYDFQX-UHFFFAOYSA-N 0 0 394.452 4.688 50 0 GJAARN COCCOc1ccccc1NCc1nc(-c2c(F)cccc2F)cs1 ZINC000127428318 570229247 /nfs/dbraw/zinc/22/92/47/570229247.db2.gz KOMNZKSSHSKXNC-UHFFFAOYSA-N 0 0 376.428 4.726 50 0 GJAARN Cc1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1-c1ccc(C)cc1 ZINC000006056273 570230306 /nfs/dbraw/zinc/23/03/06/570230306.db2.gz YKLOOBLJDOSAOS-HNNXBMFYSA-N 0 0 377.513 4.736 50 0 GJAARN CC(=O)c1c(OC(=O)c2ccc(Cl)c(Cl)c2)ccc2c(C)cc(=O)oc21 ZINC000000959310 570231837 /nfs/dbraw/zinc/23/18/37/570231837.db2.gz XMVDZHAETXIHDD-UHFFFAOYSA-N 0 0 391.206 4.830 50 0 GJAARN Cc1ccc(Cn2c3ccccc3nc2NCc2nc3ccccc3n2C)cc1 ZINC000000970704 570232240 /nfs/dbraw/zinc/23/22/40/570232240.db2.gz OTIJZSLFLVUWCZ-UHFFFAOYSA-N 0 0 381.483 4.892 50 0 GJAARN O=C(Cc1c(Cl)cccc1Cl)Oc1ccccc1C(=O)N1CCCCC1 ZINC000006078916 570235394 /nfs/dbraw/zinc/23/53/94/570235394.db2.gz LWLURPGCSFXZPZ-UHFFFAOYSA-N 0 0 392.282 4.768 50 0 GJAARN O=C(NCCCCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000023310516 570235558 /nfs/dbraw/zinc/23/55/58/570235558.db2.gz YRHFKMQWIFGHRS-UHFFFAOYSA-N 0 0 393.508 4.939 50 0 GJAARN CC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000004816847 570236229 /nfs/dbraw/zinc/23/62/29/570236229.db2.gz MYUFUSQOGBNFNF-ROUUACIJSA-N 0 0 387.270 4.672 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1OC ZINC000048325686 570236570 /nfs/dbraw/zinc/23/65/70/570236570.db2.gz AHKJMTWRURIFHS-UHFFFAOYSA-N 0 0 392.864 4.943 50 0 GJAARN CN1C(=S)N=NC1c1cc(C(C)(C)C)nn1Cc1ccc(Cl)cc1Cl ZINC000001035930 570236934 /nfs/dbraw/zinc/23/69/34/570236934.db2.gz JNKOCLTVNMSVPS-UHFFFAOYSA-N 0 0 396.347 4.620 50 0 GJAARN O=C(Nc1ccc(-c2nccs2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000048326626 570237949 /nfs/dbraw/zinc/23/79/49/570237949.db2.gz JZVOCNVJPRUZTC-FQEVSTJZSA-N 0 0 393.512 4.788 50 0 GJAARN CCc1ccc2oc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1 ZINC000005579107 570238791 /nfs/dbraw/zinc/23/87/91/570238791.db2.gz OJGLWRPSPCXLEG-UHFFFAOYSA-N 0 0 378.453 4.858 50 0 GJAARN O=C(NC1CC1)c1ccsc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000048342447 570239526 /nfs/dbraw/zinc/23/95/26/570239526.db2.gz IWJOVUXIPJWWNL-UHFFFAOYSA-N 0 0 386.420 4.505 50 0 GJAARN O=C(c1ccccc1F)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023313450 570239667 /nfs/dbraw/zinc/23/96/67/570239667.db2.gz DLLOAIAXBMWWJN-HSZRJFAPSA-N 0 0 392.449 4.512 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)c3ccccc3)cc2)c(C)c1 ZINC000001473345 570239941 /nfs/dbraw/zinc/23/99/41/570239941.db2.gz UOBZWHLNYBEGDF-UHFFFAOYSA-N 0 0 388.467 4.598 50 0 GJAARN Cc1ccc2nc(COc3ccc(Cl)cc3Cc3ccccc3)cc(=O)n2c1 ZINC000006085288 570239984 /nfs/dbraw/zinc/23/99/84/570239984.db2.gz MPWSASIFZIBBKS-UHFFFAOYSA-N 0 0 390.870 4.826 50 0 GJAARN O=C(NC[C@H](O)c1cccc(Cl)c1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000048354643 570241885 /nfs/dbraw/zinc/24/18/85/570241885.db2.gz PYKNKYVTWJPMMU-HNNXBMFYSA-N 0 0 398.871 4.673 50 0 GJAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5[nH]4)C3)ccc2c1 ZINC000020149126 570244113 /nfs/dbraw/zinc/24/41/13/570244113.db2.gz FGGJBOYDIFAKAY-HXUWFJFHSA-N 0 0 399.494 4.820 50 0 GJAARN C[C@H](c1ccccc1)n1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O ZINC000006079082 570249411 /nfs/dbraw/zinc/24/94/11/570249411.db2.gz YDAGQJLCJAXLMG-OAHLLOKOSA-N 0 0 380.513 4.713 50 0 GJAARN COC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccc(C(C)C)cc1)c2=O ZINC000001155050 570249973 /nfs/dbraw/zinc/24/99/73/570249973.db2.gz BZHKKZMZVZLLSK-UHFFFAOYSA-N 0 0 382.412 4.569 50 0 GJAARN CCN(CC)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O ZINC000020266010 570250530 /nfs/dbraw/zinc/25/05/30/570250530.db2.gz GJAKKWITKHYLOY-GZTJUZNOSA-N 0 0 390.892 4.936 50 0 GJAARN Cc1cc(C(=O)OCC(=O)c2ccc(Br)cc2)c2cccc(C)c2n1 ZINC000001170360 570252896 /nfs/dbraw/zinc/25/28/96/570252896.db2.gz GVHUWOXUVOXZNP-UHFFFAOYSA-N 0 0 398.256 4.654 50 0 GJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(I)cc1 ZINC000001183349 570255833 /nfs/dbraw/zinc/25/58/33/570255833.db2.gz PDMXRXARONPSLA-UHFFFAOYSA-N 0 0 399.231 4.795 50 0 GJAARN Cc1ccc(Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 ZINC000049007411 570258381 /nfs/dbraw/zinc/25/83/81/570258381.db2.gz XIVWIUPVKLNMOA-UHFFFAOYSA-N 0 0 377.831 4.575 50 0 GJAARN Cc1nc(C)c(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)s1 ZINC000049029340 570260439 /nfs/dbraw/zinc/26/04/39/570260439.db2.gz QACRYRHZSOVWPS-UHFFFAOYSA-N 0 0 390.877 4.930 50 0 GJAARN Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)c(Cl)c1 ZINC000049004615 570261996 /nfs/dbraw/zinc/26/19/96/570261996.db2.gz QAAIFQWIMQJXTD-UHFFFAOYSA-N 0 0 380.879 4.880 50 0 GJAARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1Br ZINC000020530698 570265334 /nfs/dbraw/zinc/26/53/34/570265334.db2.gz FSMWXAOQSFHITO-UHFFFAOYSA-N 0 0 378.225 4.913 50 0 GJAARN Cc1ccc(OCc2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)o2)cc1 ZINC000012849071 570265623 /nfs/dbraw/zinc/26/56/23/570265623.db2.gz DRNKZDOHYOAIAE-UHFFFAOYSA-N 0 0 390.443 4.745 50 0 GJAARN 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Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)NCC1CC1 ZINC000034672419 570293352 /nfs/dbraw/zinc/29/33/52/570293352.db2.gz HHSOSUKEAGEHJY-UHFFFAOYSA-N 0 0 389.499 4.740 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)NCC1CC1 ZINC000034672487 570293713 /nfs/dbraw/zinc/29/37/13/570293713.db2.gz NZFTWXYSCSTJDU-UHFFFAOYSA-N 0 0 389.499 4.740 50 0 GJAARN CCOc1ccccc1Oc1coc2cc(OC(=O)N(CC)CC)ccc2c1=O ZINC000000703841 570294287 /nfs/dbraw/zinc/29/42/87/570294287.db2.gz WVUYEDSUCCLTDM-UHFFFAOYSA-N 0 0 397.427 4.825 50 0 GJAARN CCN(C(=O)c1csc(-c2ccccc2)n1)c1ccc(Br)cn1 ZINC000119703320 570296289 /nfs/dbraw/zinc/29/62/89/570296289.db2.gz BRHDBFSODDNCHZ-UHFFFAOYSA-N 0 0 388.290 4.634 50 0 GJAARN CCCCn1c(C)c(C)c2c3nc(-c4ccccc4Br)nn3cnc21 ZINC000021801446 570296696 /nfs/dbraw/zinc/29/66/96/570296696.db2.gz YNZOSBWQAQWPJP-UHFFFAOYSA-N 0 0 398.308 4.925 50 0 GJAARN COc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)C ZINC000002751585 570298197 /nfs/dbraw/zinc/29/81/97/570298197.db2.gz 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570303972 /nfs/dbraw/zinc/30/39/72/570303972.db2.gz SCYGBSCRFPBNCG-UHFFFAOYSA-N 0 0 398.418 4.611 50 0 GJAARN COc1ccc(OCCn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1 ZINC000002829965 570305415 /nfs/dbraw/zinc/30/54/15/570305415.db2.gz WNCIAIVOOOOQNM-UHFFFAOYSA-N 0 0 377.362 4.782 50 0 GJAARN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1 ZINC000002830792 570305418 /nfs/dbraw/zinc/30/54/18/570305418.db2.gz MFQCQKOKMZSXLP-UHFFFAOYSA-N 0 0 389.908 4.596 50 0 GJAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002836746 570306440 /nfs/dbraw/zinc/30/64/40/570306440.db2.gz KKJFGHHPZYNQIZ-NSHDSACASA-N 0 0 380.872 4.783 50 0 GJAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002844545 570307789 /nfs/dbraw/zinc/30/77/89/570307789.db2.gz IXHWFSDEJGCZJZ-UHFFFAOYSA-N 0 0 394.298 4.764 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc21)C(=O)NC1CCCC1 ZINC000005242841 570307863 /nfs/dbraw/zinc/30/78/63/570307863.db2.gz COWLNWLOGXGXPX-OAHLLOKOSA-N 0 0 377.513 4.836 50 0 GJAARN Cc1ccc(C)c(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)c1 ZINC000002850321 570308378 /nfs/dbraw/zinc/30/83/78/570308378.db2.gz OBYHXLAIIFGGCT-UHFFFAOYSA-N 0 0 389.411 4.631 50 0 GJAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000002851605 570308735 /nfs/dbraw/zinc/30/87/35/570308735.db2.gz NJXTZBYREJNPPW-UHFFFAOYSA-N 0 0 375.266 4.830 50 0 GJAARN CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCC[C@@H](C)C3)s2)cc1 ZINC000004835699 570310679 /nfs/dbraw/zinc/31/06/79/570310679.db2.gz XJUXXTPUNWVZSY-CQSZACIVSA-N 0 0 390.578 4.756 50 0 GJAARN Brc1c(OCc2nc(-c3cccnc3)no2)ccc2ccccc21 ZINC000002862694 570311915 /nfs/dbraw/zinc/31/19/15/570311915.db2.gz VDVGQLNPTYEMDE-UHFFFAOYSA-N 0 0 382.217 4.626 50 0 GJAARN O=C(NCc1ccccc1)c1cccnc1Nc1ccc(Br)cc1 ZINC000002866258 570312574 /nfs/dbraw/zinc/31/25/74/570312574.db2.gz DLFMZCPSWFNKPX-UHFFFAOYSA-N 0 0 382.261 4.518 50 0 GJAARN Cc1ccccc1-c1cc(C(=O)NC2=NCCS2)c2cc(Cl)ccc2n1 ZINC000002867571 570312924 /nfs/dbraw/zinc/31/29/24/570312924.db2.gz DOTGQADKAHZWLU-UHFFFAOYSA-N 0 0 381.888 4.696 50 0 GJAARN COc1ccc(-c2csc3nc(C)nc(Sc4nccn4C)c23)cc1OC ZINC000022341930 570313873 /nfs/dbraw/zinc/31/38/73/570313873.db2.gz LTCUXUROYLHGIQ-UHFFFAOYSA-N 0 0 398.513 4.569 50 0 GJAARN O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@@H]1CC=CCC1)N1C(=O)C[C@H]1c1ccccc1 ZINC000575443600 570314421 /nfs/dbraw/zinc/31/44/21/570314421.db2.gz VYDFSAOBHSIAFI-OUOWLKGYSA-N 0 0 399.494 4.805 50 0 GJAARN CCOc1cccc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)c1 ZINC000002874185 570314476 /nfs/dbraw/zinc/31/44/76/570314476.db2.gz UENUNPWAVWHKEH-SFHVURJKSA-N 0 0 380.473 4.552 50 0 GJAARN Cc1nc(-c2ccccc2)nc2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)S2 ZINC000012324299 570314739 /nfs/dbraw/zinc/31/47/39/570314739.db2.gz IWKXEUQTNTURKD-IBGZPJMESA-N 0 0 375.497 4.938 50 0 GJAARN CCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(C)=O)c3)n2)s1 ZINC000002878801 570315228 /nfs/dbraw/zinc/31/52/28/570315228.db2.gz XJFZFDFEAZHSBF-UHFFFAOYSA-N 0 0 386.502 4.870 50 0 GJAARN CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000016086570 570315588 /nfs/dbraw/zinc/31/55/88/570315588.db2.gz WDJCWBHIKPSVCR-MRXNPFEDSA-N 0 0 379.481 4.596 50 0 GJAARN CCCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000002927871 570318571 /nfs/dbraw/zinc/31/85/71/570318571.db2.gz XZSAOUAUKSXMRI-LJQANCHMSA-N 0 0 394.500 4.943 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(I)cc1 ZINC000002964346 570320434 /nfs/dbraw/zinc/32/04/34/570320434.db2.gz AZTGINBJFUNVGP-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN COc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000002972370 570321192 /nfs/dbraw/zinc/32/11/92/570321192.db2.gz BEZZDDWBHSRQNG-UHFFFAOYSA-N 0 0 382.243 4.612 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000016261750 570321721 /nfs/dbraw/zinc/32/17/21/570321721.db2.gz ZYWUSWXAUNBUAY-INIZCTEOSA-N 0 0 394.689 4.900 50 0 GJAARN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 ZINC000002979103 570321921 /nfs/dbraw/zinc/32/19/21/570321921.db2.gz MRXIIJAYFZUYAH-UHFFFAOYSA-N 0 0 391.427 4.761 50 0 GJAARN O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1F ZINC000002982077 570322181 /nfs/dbraw/zinc/32/21/81/570322181.db2.gz QEOGIOPMNZPXCW-UHFFFAOYSA-N 0 0 391.880 4.729 50 0 GJAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 ZINC000002982248 570322436 /nfs/dbraw/zinc/32/24/36/570322436.db2.gz VOLLOIMVIHLSLP-UHFFFAOYSA-N 0 0 376.762 4.625 50 0 GJAARN COc1cc(C=O)ccc1OCCCOc1ccc(Br)cc1Cl ZINC000002984240 570323001 /nfs/dbraw/zinc/32/30/01/570323001.db2.gz LBCGCCIPBMDEKF-UHFFFAOYSA-N 0 0 399.668 4.772 50 0 GJAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023436945 570323225 /nfs/dbraw/zinc/32/32/25/570323225.db2.gz ZNBIXSSROIVJIN-HXUWFJFHSA-N 0 0 397.478 4.806 50 0 GJAARN COC[C@H](C)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023429621 570323702 /nfs/dbraw/zinc/32/37/02/570323702.db2.gz LHELWFLPMJAGNN-INIZCTEOSA-N 0 0 385.467 4.662 50 0 GJAARN CCOc1ccccc1-c1nc(CC(=O)N(C)Cc2ccccc2C)cs1 ZINC000022689523 570324645 /nfs/dbraw/zinc/32/46/45/570324645.db2.gz JIBMAJWOELEJLW-UHFFFAOYSA-N 0 0 380.513 4.718 50 0 GJAARN O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000003028247 570326522 /nfs/dbraw/zinc/32/65/22/570326522.db2.gz UUYWQNQGMQSMLB-UHFFFAOYSA-N 0 0 382.366 4.793 50 0 GJAARN COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)CC2)c(OC)c1 ZINC000022186228 570326943 /nfs/dbraw/zinc/32/69/43/570326943.db2.gz FYPXXRAFUKYFSJ-GCJKJVERSA-N 0 0 399.531 4.567 50 0 GJAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000026436249 570327145 /nfs/dbraw/zinc/32/71/45/570327145.db2.gz UTQMTDFYADHQHN-UGSOOPFHSA-N 0 0 396.468 4.508 50 0 GJAARN COC(=O)c1c2c(sc1NC(=S)NC1CCCCCC1)C[C@H](C)CC2 ZINC000006201429 570327482 /nfs/dbraw/zinc/32/74/82/570327482.db2.gz MZNPZUHBUSLFBV-GFCCVEGCSA-N 0 0 380.579 4.669 50 0 GJAARN CN1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)s3)sc2C1 ZINC000023607587 570327796 /nfs/dbraw/zinc/32/77/96/570327796.db2.gz KGCOOGOMGVPFFY-UHFFFAOYSA-N 0 0 389.933 4.765 50 0 GJAARN Cc1ccc(C)c(NC(=O)OCCNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000003087648 570327977 /nfs/dbraw/zinc/32/79/77/570327977.db2.gz CNAINYWIMFQXLD-CJNGLKHVSA-N 0 0 399.318 4.559 50 0 GJAARN O=C(Nc1ccccc1C(=O)Nc1cccc(Br)c1)c1ccccc1 ZINC000003096860 570328293 /nfs/dbraw/zinc/32/82/93/570328293.db2.gz SGWWLBWHVRQUDA-UHFFFAOYSA-N 0 0 395.256 4.954 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)[nH]n2)cc1 ZINC000072331574 570328531 /nfs/dbraw/zinc/32/85/31/570328531.db2.gz VQSJNGUCRNOONM-OAHLLOKOSA-N 0 0 381.451 4.886 50 0 GJAARN CC[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)Nc1ccc(F)cc1 ZINC000010867297 570330575 /nfs/dbraw/zinc/33/05/75/570330575.db2.gz QUWSENWMJAGTDZ-SFHVURJKSA-N 0 0 399.491 4.626 50 0 GJAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1c(F)cccc1Cl ZINC000575609580 570332631 /nfs/dbraw/zinc/33/26/31/570332631.db2.gz DMEWZQYMRXOLFG-ZDUSSCGKSA-N 0 0 381.881 4.733 50 0 GJAARN CCCNC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833722 570335598 /nfs/dbraw/zinc/33/55/98/570335598.db2.gz NDNNBBHAEVGMHS-UHFFFAOYSA-N 0 0 390.874 4.857 50 0 GJAARN CCSc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 ZINC000575611891 570335761 /nfs/dbraw/zinc/33/57/61/570335761.db2.gz ZVAKWQZYQFSXPV-LJQANCHMSA-N 0 0 383.538 4.991 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ccncc2Cl)C1 ZINC000575612053 570336508 /nfs/dbraw/zinc/33/65/08/570336508.db2.gz IQFPAMIFBAHZHN-AWEZNQCLSA-N 0 0 399.800 4.829 50 0 GJAARN CCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)c1ccc(Cl)cc1 ZINC000034794107 570337159 /nfs/dbraw/zinc/33/71/59/570337159.db2.gz VKHCYEYOYPDWGS-UHFFFAOYSA-N 0 0 399.878 4.952 50 0 GJAARN Cc1[nH]nc(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034796228 570337817 /nfs/dbraw/zinc/33/78/17/570337817.db2.gz MRGFKNTZCBSHCV-UHFFFAOYSA-N 0 0 381.304 4.934 50 0 GJAARN O=C(Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1C1CC1)Nc1cccc(Cl)c1 ZINC000034796603 570338228 /nfs/dbraw/zinc/33/82/28/570338228.db2.gz RBCMMWLLPPDQPM-UHFFFAOYSA-N 0 0 396.834 4.980 50 0 GJAARN COc1ccc(C(=O)c2sc3nc4c(c(C(F)F)c3c2N)CCCC4)cc1 ZINC000035326267 570340726 /nfs/dbraw/zinc/34/07/26/570340726.db2.gz XBGVACYTAQMPER-UHFFFAOYSA-N 0 0 388.439 4.935 50 0 GJAARN Cc1ccc(-n2nc(C(=O)N[C@H]3CCCc4ccccc43)nc2-c2ccco2)cc1 ZINC000034911382 570340781 /nfs/dbraw/zinc/34/07/81/570340781.db2.gz WFYWIKNZZWYWFR-FQEVSTJZSA-N 0 0 398.466 4.643 50 0 GJAARN COc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)cc(OC)c1OC ZINC000006213239 570342654 /nfs/dbraw/zinc/34/26/54/570342654.db2.gz SFRMFFQAGMGLQJ-UHFFFAOYSA-N 0 0 393.439 4.544 50 0 GJAARN CCCNC(=O)N(Cc1cccnc1)c1ccc(Oc2ccc(C)cc2)nc1 ZINC000034898403 570343425 /nfs/dbraw/zinc/34/34/25/570343425.db2.gz UZEOWTVYXNOSNT-UHFFFAOYSA-N 0 0 376.460 4.704 50 0 GJAARN CCn1nc(C(=O)NCCOc2ccccc2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902068 570343671 /nfs/dbraw/zinc/34/36/71/570343671.db2.gz DNLNNZZFHMRZPP-UHFFFAOYSA-N 0 0 391.515 4.676 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1Cc1ccccc1 ZINC000024050747 570344241 /nfs/dbraw/zinc/34/42/41/570344241.db2.gz INQHZOKMJNDNFQ-UHFFFAOYSA-N 0 0 383.451 4.724 50 0 GJAARN Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032948992 570344261 /nfs/dbraw/zinc/34/42/61/570344261.db2.gz FNURNRMZZDDVGD-OAQYLSRUSA-N 0 0 388.467 4.699 50 0 GJAARN O=C(c1ccc(-n2ccnc2)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000024049666 570344388 /nfs/dbraw/zinc/34/43/88/570344388.db2.gz OTLBEIRDCPBTIW-UHFFFAOYSA-N 0 0 388.496 4.502 50 0 GJAARN Cc1ccc(O[C@H](C)C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 ZINC000006233935 570346077 /nfs/dbraw/zinc/34/60/77/570346077.db2.gz FMQCUNKZQZWXRF-GOSISDBHSA-N 0 0 393.487 4.558 50 0 GJAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(F)cc2)cc1 ZINC000034912791 570346480 /nfs/dbraw/zinc/34/64/80/570346480.db2.gz FQGIRGLECKETQU-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN COc1cc2c(cc1OC)CN(CC(=O)c1ccc3c(c1)-c1ccccc1C3)CC2 ZINC000035380340 570347584 /nfs/dbraw/zinc/34/75/84/570347584.db2.gz XLYKAPXPHGHZRG-UHFFFAOYSA-N 0 0 399.490 4.516 50 0 GJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(Br)cc1 ZINC000008007192 570348954 /nfs/dbraw/zinc/34/89/54/570348954.db2.gz VYQURYQPLKXVAL-UHFFFAOYSA-N 0 0 379.304 4.815 50 0 GJAARN O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 ZINC000004854378 570349128 /nfs/dbraw/zinc/34/91/28/570349128.db2.gz ZQNNMLNIONYFNC-IBGZPJMESA-N 0 0 396.288 4.888 50 0 GJAARN Cc1ccc2c(c1)NC1(CCN(C(=O)CCC3CCCC3)CC1)c1cccn1-2 ZINC000035399440 570350095 /nfs/dbraw/zinc/35/00/95/570350095.db2.gz VIZFXSBZATVSFB-UHFFFAOYSA-N 0 0 377.532 4.999 50 0 biogenic GJAARN O=c1c2c(ncn1CCc1ccccc1)c1ccccc1n2Cc1ccc(F)cc1 ZINC000035400248 570350702 /nfs/dbraw/zinc/35/07/02/570350702.db2.gz SWLUGPRQXMGQPT-UHFFFAOYSA-N 0 0 397.453 4.781 50 0 GJAARN Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1ccco1 ZINC000575615520 570353622 /nfs/dbraw/zinc/35/36/22/570353622.db2.gz PSUDDUQVRUHHNU-UHFFFAOYSA-N 0 0 392.381 4.600 50 0 GJAARN CCc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008086179 570356465 /nfs/dbraw/zinc/35/64/65/570356465.db2.gz LCUKXQODKPVRBC-UHFFFAOYSA-N 0 0 380.513 4.644 50 0 GJAARN COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCC(C)CC3)cc1 ZINC000004892124 570358086 /nfs/dbraw/zinc/35/80/86/570358086.db2.gz ZGGINDRJSGGCRK-UHFFFAOYSA-N 0 0 392.524 4.874 50 0 GJAARN O=C(NCc1ccccc1F)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430185 570358305 /nfs/dbraw/zinc/35/83/05/570358305.db2.gz ZYFCLQUXPSXNDC-UHFFFAOYSA-N 0 0 390.393 4.582 50 0 GJAARN Cc1[nH]c2ccccc2c1CCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000004904850 570360984 /nfs/dbraw/zinc/36/09/84/570360984.db2.gz GLWCBYCWAJZGBQ-UHFFFAOYSA-N 0 0 393.434 4.904 50 0 GJAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004176795 570361225 /nfs/dbraw/zinc/36/12/25/570361225.db2.gz KPFUWROQPLANME-FQEVSTJZSA-N 0 0 396.537 4.905 50 0 aggregator GJAARN CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000006284805 570361313 /nfs/dbraw/zinc/36/13/13/570361313.db2.gz QBNAXQBCHOBNHB-QFIPXVFZSA-N 0 0 390.439 4.606 50 0 GJAARN CCCc1cc(C(=O)Nc2cccc(I)c2)sc1C ZINC000006284921 570361390 /nfs/dbraw/zinc/36/13/90/570361390.db2.gz HWFKHAHHAGHBNU-UHFFFAOYSA-N 0 0 385.270 4.866 50 0 GJAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(Br)c1)c1cc(Cl)ccc1O2 ZINC000004908089 570361731 /nfs/dbraw/zinc/36/17/31/570361731.db2.gz OVOFRGDJKSGDEZ-RHSMWYFYSA-N 0 0 393.668 4.872 50 0 GJAARN COc1cc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)ccc1OCC(C)C ZINC000008193973 570361974 /nfs/dbraw/zinc/36/19/74/570361974.db2.gz GQLHSAGVMYAJBR-UHFFFAOYSA-N 0 0 382.504 4.891 50 0 GJAARN COc1ccc(Nc2cc(C(=O)NC3CCCC3)c3ccccc3n2)c(OC)c1 ZINC000004910031 570362148 /nfs/dbraw/zinc/36/21/48/570362148.db2.gz UYZMXESQAFJFPQ-UHFFFAOYSA-N 0 0 391.471 4.668 50 0 GJAARN Cc1occc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000010908607 570362525 /nfs/dbraw/zinc/36/25/25/570362525.db2.gz DMRZHBXAVQPGCH-UHFFFAOYSA-N 0 0 375.403 4.510 50 0 GJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCCCn1cccc1 ZINC000604418878 570362811 /nfs/dbraw/zinc/36/28/11/570362811.db2.gz QYVCAJNUKMDOAV-NRFANRHFSA-N 0 0 379.504 4.732 50 0 GJAARN O=C(CCCCCn1cccc1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000604418889 570362843 /nfs/dbraw/zinc/36/28/43/570362843.db2.gz MHTWGGCMJQYJSI-UHFFFAOYSA-N 0 0 383.467 4.735 50 0 GJAARN COc1ccc([C@H](NC(=O)Nc2cccc3c2ccn3C)C(C)C)cc1OC ZINC000604418891 570362862 /nfs/dbraw/zinc/36/28/62/570362862.db2.gz RTWOIGZGTIRRDF-OAQYLSRUSA-N 0 0 381.476 4.714 50 0 GJAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000004910780 570363159 /nfs/dbraw/zinc/36/31/59/570363159.db2.gz GKNGAHCOVYIWKN-SFHVURJKSA-N 0 0 391.515 4.538 50 0 GJAARN COc1cccc(-c2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)c1OC ZINC000035453708 570363401 /nfs/dbraw/zinc/36/34/01/570363401.db2.gz JDYCYCLGQWMWOO-UHFFFAOYSA-N 0 0 390.443 4.886 50 0 GJAARN CCCn1cnc2cc(-c3noc(/C=C/c4ccc(OC)c(OC)c4)n3)ccc21 ZINC000035453593 570363485 /nfs/dbraw/zinc/36/34/85/570363485.db2.gz XXLJCFBTYIXWGE-UXBLZVDNSA-N 0 0 390.443 4.684 50 0 GJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000023500702 570363957 /nfs/dbraw/zinc/36/39/57/570363957.db2.gz MCOHBVGTZKBMKA-LLVKDONJSA-N 0 0 398.732 4.754 50 0 GJAARN Cc1nc(C2(NC(=O)c3sc4cc(F)ccc4c3Cl)CCCCC2)no1 ZINC000023507804 570363966 /nfs/dbraw/zinc/36/39/66/570363966.db2.gz 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570366331 /nfs/dbraw/zinc/36/63/31/570366331.db2.gz CGTSMAHEDNCTKI-UHFFFAOYSA-N 0 0 396.468 4.628 50 0 GJAARN CC(C)c1ccc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1 ZINC000004920111 570366422 /nfs/dbraw/zinc/36/64/22/570366422.db2.gz ZOEJAMMZSQIYBT-UHFFFAOYSA-N 0 0 385.467 4.613 50 0 GJAARN Cc1ccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1Cl ZINC000006301481 570366550 /nfs/dbraw/zinc/36/65/50/570366550.db2.gz OIJXJJWRDSDZLC-UHFFFAOYSA-N 0 0 395.871 4.637 50 0 GJAARN CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc32)O[C@@H]1c1ccccn1 ZINC000035478510 570366726 /nfs/dbraw/zinc/36/67/26/570366726.db2.gz XOCOFAMBYKSIGL-XMMPIXPASA-N 0 0 394.434 4.536 50 0 GJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000006306189 570366926 /nfs/dbraw/zinc/36/69/26/570366926.db2.gz OLJKJPQDRCIWKV-UHFFFAOYSA-N 0 0 398.506 4.765 50 0 GJAARN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000023646538 570367800 /nfs/dbraw/zinc/36/78/00/570367800.db2.gz QPMXXKBAOSTMBB-OAHLLOKOSA-N 0 0 386.245 4.757 50 0 GJAARN 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CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(OCC(C)C)cc2)CC1 ZINC000004702969 570395246 /nfs/dbraw/zinc/39/52/46/570395246.db2.gz AWKFOICZRKLWFY-UHFFFAOYSA-N 0 0 388.552 4.771 50 0 GJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)COc1cccc(C)c1 ZINC000035555160 570395922 /nfs/dbraw/zinc/39/59/22/570395922.db2.gz OVVHONUGWVMRTA-UHFFFAOYSA-N 0 0 383.473 4.700 50 0 GJAARN CC(=O)Nc1ccc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1 ZINC000035555163 570396112 /nfs/dbraw/zinc/39/61/12/570396112.db2.gz KIZUHKFWHYPTDH-UHFFFAOYSA-N 0 0 396.472 4.585 50 0 GJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1 ZINC000035558792 570396527 /nfs/dbraw/zinc/39/65/27/570396527.db2.gz LUXNRZOKGPYJOZ-QGZVFWFLSA-N 0 0 389.455 4.508 50 0 GJAARN Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3cccs3)c2)cs1 ZINC000032879837 570396531 /nfs/dbraw/zinc/39/65/31/570396531.db2.gz LNOUYVGRTZOFTR-VFNNOXKTSA-N 0 0 384.526 4.983 50 0 GJAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005017001 570397084 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ZINC000006720516 570549141 /nfs/dbraw/zinc/54/91/41/570549141.db2.gz GNESFJBIVNGAEE-UHFFFAOYSA-N 0 0 387.917 4.900 50 0 GJAARN Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 ZINC000032969108 570550631 /nfs/dbraw/zinc/55/06/31/570550631.db2.gz NLHLFWZEESWFEC-HXUWFJFHSA-N 0 0 397.540 4.905 50 0 GJAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722140 570550699 /nfs/dbraw/zinc/55/06/99/570550699.db2.gz VBCUUTVJBRUIQE-OAHLLOKOSA-N 0 0 399.560 4.604 50 0 GJAARN Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3cccnc3)c2c1 ZINC000005307960 570551312 /nfs/dbraw/zinc/55/13/12/570551312.db2.gz JGENFRAZCFYZPS-UHFFFAOYSA-N 0 0 384.483 4.572 50 0 GJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000009290307 570554582 /nfs/dbraw/zinc/55/45/82/570554582.db2.gz MLMNASKXEKPKEU-UHFFFAOYSA-N 0 0 396.299 4.999 50 0 GJAARN COc1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3cccc(C)n32)c1 ZINC000035616333 570556290 /nfs/dbraw/zinc/55/62/90/570556290.db2.gz NHSSREBXZCNCHO-UHFFFAOYSA-N 0 0 375.428 4.776 50 0 GJAARN Oc1ccc(-c2nc3ncccn3c2Nc2ccc(Br)cc2)cc1 ZINC000035616132 570556388 /nfs/dbraw/zinc/55/63/88/570556388.db2.gz MSDGFUQRFHAAFZ-UHFFFAOYSA-N 0 0 381.233 4.608 50 0 GJAARN O=C(c1cccs1)n1nc(-c2ccccc2)nc1NCc1ccccc1Cl ZINC000006732754 570557669 /nfs/dbraw/zinc/55/76/69/570557669.db2.gz IRFJVBKVVPHPNK-UHFFFAOYSA-N 0 0 394.887 4.961 50 0 GJAARN Fc1ccccc1Cn1c2cc3c(cc2nc1-c1ccccc1F)OCCO3 ZINC000040151911 570558955 /nfs/dbraw/zinc/55/89/55/570558955.db2.gz GEKUESYZYZASPL-UHFFFAOYSA-N 0 0 378.378 4.801 50 0 GJAARN O=C1N(Cc2cccs2)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000005323015 570559037 /nfs/dbraw/zinc/55/90/37/570559037.db2.gz MGXSLYXUYSMHDT-NRFANRHFSA-N 0 0 394.883 4.666 50 0 GJAARN COc1ccc([C@H]2N3CCCN3C(=O)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000006737507 570559684 /nfs/dbraw/zinc/55/96/84/570559684.db2.gz NJXWHEAHIMNZRJ-QHCPKHFHSA-N 0 0 385.467 4.924 50 0 GJAARN COc1cccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)c1 ZINC000005345364 570560500 /nfs/dbraw/zinc/56/05/00/570560500.db2.gz HWHZVNLEGLZXBK-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 GJAARN COc1cccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248054 570561432 /nfs/dbraw/zinc/56/14/32/570561432.db2.gz RNSCHOUDKKFPAP-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN Cc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2cccc(C)c2)c1 ZINC000036248195 570561530 /nfs/dbraw/zinc/56/15/30/570561530.db2.gz ABGRTZNRQOJKRJ-UHFFFAOYSA-N 0 0 387.451 4.977 50 0 GJAARN COc1ccc(-c2noc(-c3ccc(NCCC4=CCCCC4)nn3)n2)cc1 ZINC000064837884 570561545 /nfs/dbraw/zinc/56/15/45/570561545.db2.gz ZFFNOUHWZUYSHP-UHFFFAOYSA-N 0 0 377.448 4.505 50 0 GJAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000036248096 570561668 /nfs/dbraw/zinc/56/16/68/570561668.db2.gz VZMMPZNBMRTRSA-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000064837786 570561827 /nfs/dbraw/zinc/56/18/27/570561827.db2.gz FCLBVKXWNDMPSY-UHFFFAOYSA-N 0 0 396.390 4.778 50 0 GJAARN Cc1cc(OCC(=O)N(Cc2ccco2)Cc2cccc(F)c2)ccc1Cl ZINC000006747601 570566002 /nfs/dbraw/zinc/56/60/02/570566002.db2.gz FBFZAUVFVCDXKO-UHFFFAOYSA-N 0 0 387.838 4.988 50 0 GJAARN C[C@H](SCc1nnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000225385207 570568912 /nfs/dbraw/zinc/56/89/12/570568912.db2.gz PETRTMUPNFJLGM-OFQRWUPVSA-N 0 0 375.563 4.522 50 0 GJAARN Cc1c(C(=O)N2CCC(C)CC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCC1)O3 ZINC000006751352 570569726 /nfs/dbraw/zinc/56/97/26/570569726.db2.gz CMJIUECJMOGEPQ-INIZCTEOSA-N 0 0 383.488 4.742 50 0 biogenic GJAARN COc1ccc(-c2nc(NC(=O)COc3cc(C)cc(C)c3)sc2C)cc1 ZINC000032981880 570571202 /nfs/dbraw/zinc/57/12/02/570571202.db2.gz VRJAFHSKXLEMIF-UHFFFAOYSA-N 0 0 382.485 4.761 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nnc(C2CC2)s1 ZINC000064867483 570571417 /nfs/dbraw/zinc/57/14/17/570571417.db2.gz OQQWBFRQHDHTTR-UHFFFAOYSA-N 0 0 376.894 4.753 50 0 GJAARN CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1 ZINC000006752960 570571745 /nfs/dbraw/zinc/57/17/45/570571745.db2.gz IPZCMXIEDAKPSC-JOCHJYFZSA-N 0 0 375.472 4.861 50 0 GJAARN CCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 ZINC000006752949 570571764 /nfs/dbraw/zinc/57/17/64/570571764.db2.gz QUHMZMZZGKDJNZ-QFIPXVFZSA-N 0 0 391.471 4.526 50 0 GJAARN Cc1ccccc1CN1[C@@H](c2ccccc2Cl)Nc2ccccc2S1(=O)=O ZINC000032986831 570574133 /nfs/dbraw/zinc/57/41/33/570574133.db2.gz YIGDUARLYHZDNC-NRFANRHFSA-N 0 0 398.915 4.964 50 0 GJAARN COc1ccccc1-c1nc2c3c(C)c(C)n(C4CCCCC4)c3ncn2n1 ZINC000006759123 570574487 /nfs/dbraw/zinc/57/44/87/570574487.db2.gz NDBJSFNPWVEGEP-UHFFFAOYSA-N 0 0 375.476 4.877 50 0 GJAARN CC(C)(C)CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000011096204 570574674 /nfs/dbraw/zinc/57/46/74/570574674.db2.gz IIBFUFODIQUEFY-UHFFFAOYSA-N 0 0 378.944 4.523 50 0 GJAARN CCCC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1Cl ZINC000006764301 570576068 /nfs/dbraw/zinc/57/60/68/570576068.db2.gz RZCMULOFUYATJT-UHFFFAOYSA-N 0 0 381.259 4.993 50 0 GJAARN CC(C)C(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006764814 570576458 /nfs/dbraw/zinc/57/64/58/570576458.db2.gz FGBLEEKKUOVODL-LJQANCHMSA-N 0 0 388.870 4.657 50 0 GJAARN Cc1noc(-c2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)cc2)n1 ZINC000022969060 570577496 /nfs/dbraw/zinc/57/74/96/570577496.db2.gz MVDNSVIKZFLGCA-UHFFFAOYSA-N 0 0 393.830 4.888 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@@H](C)n2nc(-c3ccc(C)c(C)c3)ccc2=O)c(C)c1 ZINC000006767867 570577968 /nfs/dbraw/zinc/57/79/68/570577968.db2.gz VOMOFLZKIZZHKA-LJQANCHMSA-N 0 0 389.499 4.652 50 0 GJAARN Cc1nccn1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000011664885 570578542 /nfs/dbraw/zinc/57/85/42/570578542.db2.gz HRCXGONNGPKLQH-XMMPIXPASA-N 0 0 390.531 4.769 50 0 GJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000011667270 570579011 /nfs/dbraw/zinc/57/90/11/570579011.db2.gz JYZVRMGVVXCBMY-QGZVFWFLSA-N 0 0 389.455 4.508 50 0 GJAARN Cc1ccc2oc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc(=O)c2c1 ZINC000011689969 570579355 /nfs/dbraw/zinc/57/93/55/570579355.db2.gz CWIKJEZZXGIBPI-UHFFFAOYSA-N 0 0 394.427 4.540 50 0 GJAARN CC(=O)c1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000006768963 570579458 /nfs/dbraw/zinc/57/94/58/570579458.db2.gz HKWRWIBSKMCCEQ-UHFFFAOYSA-N 0 0 393.512 4.942 50 0 GJAARN COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000225496334 570580163 /nfs/dbraw/zinc/58/01/63/570580163.db2.gz QKSOBSGVVPKBBM-MRXNPFEDSA-N 0 0 377.444 4.573 50 0 GJAARN Cc1ccc(C)c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c1 ZINC000005396499 570581156 /nfs/dbraw/zinc/58/11/56/570581156.db2.gz MBXOHFRIGITQSV-UHFFFAOYSA-N 0 0 383.542 4.857 50 0 GJAARN COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246994 570581189 /nfs/dbraw/zinc/58/11/89/570581189.db2.gz KXRIHPMSAVCZHS-UHFFFAOYSA-N 0 0 381.497 4.708 50 0 GJAARN Cc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036247014 570581230 /nfs/dbraw/zinc/58/12/30/570581230.db2.gz KGYBGOUEFHTTBF-UHFFFAOYSA-N 0 0 387.451 4.977 50 0 GJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccc(C)c(F)c2)cc1 ZINC000036247983 570581997 /nfs/dbraw/zinc/58/19/97/570581997.db2.gz CJRSXPBDAIYNCL-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN COc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000036248423 570582414 /nfs/dbraw/zinc/58/24/14/570582414.db2.gz SILHKQKNUGSWGN-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN COc1cccc([C@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)c1 ZINC000225514799 570582597 /nfs/dbraw/zinc/58/25/97/570582597.db2.gz MSOKSFHKTAXRGE-LJQANCHMSA-N 0 0 377.469 4.836 50 0 GJAARN CC(C)Oc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)C3CCC3)c2)n1 ZINC000006775574 570584734 /nfs/dbraw/zinc/58/47/34/570584734.db2.gz BWMRHDCKHPJFMI-UHFFFAOYSA-N 0 0 394.450 4.599 50 0 GJAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCCCCCC2)cc1C ZINC000002152592 570588837 /nfs/dbraw/zinc/58/88/37/570588837.db2.gz PAVFIMXZBDUHNA-LTGZKZEYSA-N 0 0 396.556 4.929 50 0 GJAARN Cc1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)c1C ZINC000064919327 570590579 /nfs/dbraw/zinc/59/05/79/570590579.db2.gz NFFVUBWYFXDPCC-UHFFFAOYSA-N 0 0 386.430 4.943 50 0 GJAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=S)NC1CCCCC1 ZINC000006784623 570590978 /nfs/dbraw/zinc/59/09/78/570590978.db2.gz APRXMEQBJOZPME-UHFFFAOYSA-N 0 0 392.956 4.809 50 0 GJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000005440662 570594452 /nfs/dbraw/zinc/59/44/52/570594452.db2.gz OUXGEDGAGFTKMK-UHFFFAOYSA-N 0 0 388.467 4.926 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)c(OC)c1 ZINC000005446507 570595707 /nfs/dbraw/zinc/59/57/07/570595707.db2.gz JTVHIFMYLQABEJ-HXUWFJFHSA-N 0 0 378.472 4.908 50 0 GJAARN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2=O)cc1 ZINC000011955920 570595727 /nfs/dbraw/zinc/59/57/27/570595727.db2.gz PLOHNZLCLCFBJV-QHCPKHFHSA-N 0 0 396.556 4.526 50 0 GJAARN Cc1nnc2c(Nc3cccc(F)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006791559 570596488 /nfs/dbraw/zinc/59/64/88/570596488.db2.gz ZZTIFYJTLSTZPA-UHFFFAOYSA-N 0 0 397.413 4.700 50 0 GJAARN Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)s2)c(C)c1 ZINC000003247276 570597205 /nfs/dbraw/zinc/59/72/05/570597205.db2.gz NYQRPBXJXDFSFM-HNNXBMFYSA-N 0 0 398.557 4.868 50 0 GJAARN CC(C)N(C(=O)c1cc2ccccc2s1)c1ccc(CC(=O)N(C)C)cc1 ZINC000225660782 570599257 /nfs/dbraw/zinc/59/92/57/570599257.db2.gz KUQDRNWSIGXXIM-UHFFFAOYSA-N 0 0 380.513 4.587 50 0 GJAARN CC(=O)Oc1cccc(/C=C2/N=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1 ZINC000003236560 570599316 /nfs/dbraw/zinc/59/93/16/570599316.db2.gz GWAJFEUOCONMCK-PXLXIMEGSA-N 0 0 399.402 4.749 50 0 GJAARN O=C([O-])c1c(C[NH2+]Cc2cccs2)c2ccccc2n1Cc1ccccc1 ZINC000006803320 570605584 /nfs/dbraw/zinc/60/55/84/570605584.db2.gz GFUJPRGZEMFUQI-UHFFFAOYSA-N 0 0 376.481 4.739 50 0 GJAARN Cc1nnc(SCc2nc(-c3ccc(C)cc3)no2)n1-c1ccc(Cl)cc1 ZINC000006804368 570607900 /nfs/dbraw/zinc/60/79/00/570607900.db2.gz LTNGQIUPUPGIEG-UHFFFAOYSA-N 0 0 397.891 4.880 50 0 GJAARN COC(=O)c1ccc(-c2ccco2)n1Cc1nc(-c2ccccc2F)oc1C ZINC000006808022 570609601 /nfs/dbraw/zinc/60/96/01/570609601.db2.gz ZRZWDPQBICWVJP-UHFFFAOYSA-N 0 0 380.375 4.686 50 0 GJAARN Cc1nn2c(nc(C)c(CC(=O)N[C@H](C)c3ccccc3)c2C)c1-c1ccccc1 ZINC000006808888 570610523 /nfs/dbraw/zinc/61/05/23/570610523.db2.gz NRRZRXNTBCMGTR-MRXNPFEDSA-N 0 0 398.510 4.741 50 0 GJAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)N[C@@H](C)c3ccccc3)c(C)c12 ZINC000006809038 570610964 /nfs/dbraw/zinc/61/09/64/570610964.db2.gz PSKZBUZRPCDHFD-INIZCTEOSA-N 0 0 392.547 4.922 50 0 GJAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC000005484078 570612055 /nfs/dbraw/zinc/61/20/55/570612055.db2.gz NDCAGZOTJBAYTJ-MRXNPFEDSA-N 0 0 376.334 4.555 50 0 GJAARN CCc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064956002 570612266 /nfs/dbraw/zinc/61/22/66/570612266.db2.gz OWBSOKOJIHTTNM-UHFFFAOYSA-N 0 0 383.495 4.885 50 0 GJAARN CCCn1ccc2sc(C)c(C(=O)NCc3ccc(F)cc3Cl)c2c1=O ZINC000097939235 570614176 /nfs/dbraw/zinc/61/41/76/570614176.db2.gz XLCKBQYBVYIGQO-UHFFFAOYSA-N 0 0 392.883 4.504 50 0 GJAARN O=C(Nc1ccccc1)N1CCC[C@@H](OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000036315889 570614491 /nfs/dbraw/zinc/61/44/91/570614491.db2.gz MSLADTIKKBUNOK-GOSISDBHSA-N 0 0 394.393 4.798 50 0 GJAARN COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000005504451 570615170 /nfs/dbraw/zinc/61/51/70/570615170.db2.gz DILKNBSHTIYONL-LDADJPATSA-N 0 0 389.407 4.520 50 0 GJAARN COc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000169685722 570615370 /nfs/dbraw/zinc/61/53/70/570615370.db2.gz IVVFVJUPPOZOKR-UGKGYDQZSA-N 0 0 391.858 4.986 50 0 GJAARN CNC(=S)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1cccc(OC)c1 ZINC000225781900 570616826 /nfs/dbraw/zinc/61/68/26/570616826.db2.gz VUAYLRCHFONZFK-QGZVFWFLSA-N 0 0 394.327 4.657 50 0 GJAARN COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 ZINC000033004012 570618095 /nfs/dbraw/zinc/61/80/95/570618095.db2.gz NDTUHUTYCDWZRB-UHFFFAOYSA-N 0 0 392.386 4.660 50 0 GJAARN Cc1c(C(C)C)c(=O)c2ccccc2n1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000225825025 570621932 /nfs/dbraw/zinc/62/19/32/570621932.db2.gz WOQKLMGAJQEQDQ-OAHLLOKOSA-N 0 0 396.918 4.964 50 0 GJAARN C[C@H](CNC(=O)c1nnc(Cc2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000006821208 570623066 /nfs/dbraw/zinc/62/30/66/570623066.db2.gz VLYSKWNIGYLKJB-GFCCVEGCSA-N 0 0 390.270 4.501 50 0 GJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c(C)c2)on1 ZINC000064979682 570624021 /nfs/dbraw/zinc/62/40/21/570624021.db2.gz PMDCXZQRWFCYHA-UHFFFAOYSA-N 0 0 396.390 4.778 50 0 GJAARN CCc1ccc(OCc2nc(CC(=O)N[C@H](C)c3ccc(F)cc3)cs2)cc1 ZINC000033011788 570623978 /nfs/dbraw/zinc/62/39/78/570623978.db2.gz TYTRYGWLGALLFF-OAHLLOKOSA-N 0 0 398.503 4.844 50 0 GJAARN Cc1nc2c(ccc(Cl)c2NC(=O)N[C@H](CCO)c2ccccc2)s1 ZINC000225850042 570626047 /nfs/dbraw/zinc/62/60/47/570626047.db2.gz PTTAQFCYMCJMJO-CQSZACIVSA-N 0 0 375.881 4.503 50 0 GJAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000005538553 570628360 /nfs/dbraw/zinc/62/83/60/570628360.db2.gz XWEREISSIHWTLZ-QGZVFWFLSA-N 0 0 392.455 4.759 50 0 GJAARN CSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 ZINC000004597409 570628655 /nfs/dbraw/zinc/62/86/55/570628655.db2.gz NLLBSTZVOIGDTQ-UHFFFAOYSA-N 0 0 390.468 4.633 50 0 GJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N(C)c1ccccc1 ZINC000004596932 570628747 /nfs/dbraw/zinc/62/87/47/570628747.db2.gz LNMNGACDXKIPQN-AWEZNQCLSA-N 0 0 396.491 4.563 50 0 GJAARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000004597483 570628933 /nfs/dbraw/zinc/62/89/33/570628933.db2.gz YJFHVFKFUUPFDZ-HXUWFJFHSA-N 0 0 394.906 4.847 50 0 GJAARN c1c(C2CCCC2)nc2sc(N3CCC[C@H]3c3ccc4c(c3)OCO4)nn12 ZINC000302549911 570630537 /nfs/dbraw/zinc/63/05/37/570630537.db2.gz PXNKSYRCEXKAHJ-INIZCTEOSA-N 0 0 382.489 4.519 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989294 570632350 /nfs/dbraw/zinc/63/23/50/570632350.db2.gz KHJHFLBNQSLFSP-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989155 570632402 /nfs/dbraw/zinc/63/24/02/570632402.db2.gz RABFAHMFLWJCSU-UHFFFAOYSA-N 0 0 378.863 4.650 50 0 GJAARN CCn1ccnc1CN(C)C(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000012307274 570639307 /nfs/dbraw/zinc/63/93/07/570639307.db2.gz 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/nfs/dbraw/zinc/71/54/55/570715455.db2.gz SMNSZHNWJKMMEC-UHFFFAOYSA-N 0 0 391.254 4.589 50 0 GJAARN CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000041077056 570719559 /nfs/dbraw/zinc/71/95/59/570719559.db2.gz JIWNPHFEVLXXMX-UHFFFAOYSA-N 0 0 383.879 4.934 50 0 GJAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccc(F)c(F)c1 ZINC000004375321 570721095 /nfs/dbraw/zinc/72/10/95/570721095.db2.gz SXXNBRHMTPRJNW-UHFFFAOYSA-N 0 0 378.831 4.714 50 0 GJAARN COc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3Cl)cs2)c1OC ZINC000012821702 570723032 /nfs/dbraw/zinc/72/30/32/570723032.db2.gz VJDQIARGOKEYQS-UHFFFAOYSA-N 0 0 392.839 4.872 50 0 GJAARN Cc1ccc(-c2nnc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 ZINC000065185396 570723703 /nfs/dbraw/zinc/72/37/03/570723703.db2.gz PYOZPCPQGJGQTK-UHFFFAOYSA-N 0 0 386.333 4.705 50 0 GJAARN Cc1cccc(C)c1OCc1nnc(SC[C@H]2CCCO2)n1-c1ccccc1 ZINC000006980145 570725623 /nfs/dbraw/zinc/72/56/23/570725623.db2.gz CXCKPBYQHJZFPR-LJQANCHMSA-N 0 0 395.528 4.734 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004109794 570726975 /nfs/dbraw/zinc/72/69/75/570726975.db2.gz BPYAHBSARKXKTC-UHFFFAOYSA-N 0 0 398.812 4.977 50 0 GJAARN COc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1F ZINC000058313310 570727045 /nfs/dbraw/zinc/72/70/45/570727045.db2.gz ZNLSDBWUHXHTMR-UHFFFAOYSA-N 0 0 394.233 4.638 50 0 GJAARN OCc1cnc(SCc2c(F)cccc2Cl)n1CCc1ccccc1 ZINC000004381173 570727122 /nfs/dbraw/zinc/72/71/22/570727122.db2.gz KCGYGGCYGRSWGX-UHFFFAOYSA-N 0 0 376.884 4.703 50 0 GJAARN CCCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1OCCC ZINC000006981199 570729033 /nfs/dbraw/zinc/72/90/33/570729033.db2.gz DESFIPUEUJLFOY-UHFFFAOYSA-N 0 0 396.487 4.643 50 0 GJAARN C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(OCc2cccnc2)cc1 ZINC000032676323 570729079 /nfs/dbraw/zinc/72/90/79/570729079.db2.gz ZOHYEGZNKNFPRR-MRXNPFEDSA-N 0 0 380.875 4.734 50 0 GJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1cc3ccccc3o1)c2=O ZINC000000939016 570730783 /nfs/dbraw/zinc/73/07/83/570730783.db2.gz NBOBCRQLUIFNQV-ZDUSSCGKSA-N 0 0 378.380 4.537 50 0 biogenic GJAARN Cc1cc(SCC(=O)N(C)Cc2ccc(O)cc2)c(C)cc1Br ZINC000058406505 570731211 /nfs/dbraw/zinc/73/12/11/570731211.db2.gz BXRWYXGTUSDGRQ-UHFFFAOYSA-N 0 0 394.334 4.522 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2NCC(F)(F)F)oc2c1C(=O)CC(C)(C)C2 ZINC000058414970 570732029 /nfs/dbraw/zinc/73/20/29/570732029.db2.gz QQNBFESZVKBUPW-UHFFFAOYSA-N 0 0 394.393 4.970 50 0 GJAARN CSc1nccn1-c1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000058429358 570733110 /nfs/dbraw/zinc/73/31/10/570733110.db2.gz BWFBVKPXOIEEAQ-UHFFFAOYSA-N 0 0 376.441 4.502 50 0 GJAARN COc1cc(C(=O)Nc2ccc3ccccc3n2)ccc1OCc1cscn1 ZINC000058434631 570733586 /nfs/dbraw/zinc/73/35/86/570733586.db2.gz PKAOTISGJYHRGN-UHFFFAOYSA-N 0 0 391.452 4.531 50 0 GJAARN COc1ccc(-c2nc(C(=O)N(C)c3nc4ccccc4s3)cs2)cc1 ZINC000012975292 570734389 /nfs/dbraw/zinc/73/43/89/570734389.db2.gz HNYKAGPEDJLPKS-UHFFFAOYSA-N 0 0 381.482 4.705 50 0 GJAARN COc1ccc(Oc2ncccc2NC(=O)N2CCc3ccc(F)cc32)cc1 ZINC000058515558 570734716 /nfs/dbraw/zinc/73/47/16/570734716.db2.gz JYAYASITSBAGDW-UHFFFAOYSA-N 0 0 379.391 4.616 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2ccc(Cl)cc2)C1=O ZINC000058747385 570735830 /nfs/dbraw/zinc/73/58/30/570735830.db2.gz LGWDWHPHOMESRJ-QGZVFWFLSA-N 0 0 377.868 4.793 50 0 GJAARN CCOc1ccc(NC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1 ZINC000007000760 570736471 /nfs/dbraw/zinc/73/64/71/570736471.db2.gz VHGPHNSUBQBTDT-UHFFFAOYSA-N 0 0 379.460 4.700 50 0 GJAARN COc1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)cc1 ZINC000584906224 570738109 /nfs/dbraw/zinc/73/81/09/570738109.db2.gz NAGPWHRDBDRYIM-CQSZACIVSA-N 0 0 391.467 4.755 50 0 GJAARN CCCc1noc([C@H](C)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)n1 ZINC000059577771 570738880 /nfs/dbraw/zinc/73/88/80/570738880.db2.gz TZECHWAKOYBUPZ-AWEZNQCLSA-N 0 0 385.430 4.773 50 0 GJAARN CC(C)(C)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012994548 570739001 /nfs/dbraw/zinc/73/90/01/570739001.db2.gz XDVUWMUVQHUBCH-UHFFFAOYSA-N 0 0 382.548 4.645 50 0 GJAARN CCOc1ccc([C@@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 ZINC000012995301 570739346 /nfs/dbraw/zinc/73/93/46/570739346.db2.gz DGTVIWHOLXYVEZ-CQSZACIVSA-N 0 0 398.484 4.792 50 0 GJAARN Cc1cc(-c2ccc(C)c(S(=O)(=O)N[C@H](c3cccs3)C(C)C)c2)on1 ZINC000007007316 570739451 /nfs/dbraw/zinc/73/94/51/570739451.db2.gz XXPIMUJYCNHINX-IBGZPJMESA-N 0 0 390.530 4.696 50 0 GJAARN COc1cccc(/C=C/C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1OC(F)F ZINC000025161273 570740068 /nfs/dbraw/zinc/74/00/68/570740068.db2.gz ZGIGUDGJWAJHAA-SJFMBGHLSA-N 0 0 387.426 4.886 50 0 GJAARN CO[C@@]12C=C[C@@H](CC13OCCO3)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 ZINC000000977089 570742093 /nfs/dbraw/zinc/74/20/93/570742093.db2.gz AEXCTMVNCQOKRA-JKYUHCHBSA-N 0 0 382.070 4.942 50 0 GJAARN CC[C@H]1CN(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2S1 ZINC000033059270 570744109 /nfs/dbraw/zinc/74/41/09/570744109.db2.gz MIRUIKXJEHFPMU-NRFANRHFSA-N 0 0 394.584 4.859 50 0 GJAARN Cc1ccccc1[C@@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000013071618 570745004 /nfs/dbraw/zinc/74/50/04/570745004.db2.gz HYZGASFQIMKVHW-LJQANCHMSA-N 0 0 399.494 4.801 50 0 GJAARN Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 ZINC000033064052 570749375 /nfs/dbraw/zinc/74/93/75/570749375.db2.gz SXHPLQRUQUSCHI-UHFFFAOYSA-N 0 0 386.904 4.670 50 0 GJAARN Cc1ccc2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3)[nH]c2c1C ZINC000033064026 570749429 /nfs/dbraw/zinc/74/94/29/570749429.db2.gz WCISOSICYYUCBO-UHFFFAOYSA-N 0 0 386.904 4.670 50 0 GJAARN CCN(CC)C(=O)c1cc(-c2cnc(C(C)C)nc2)nc2c(C)c(C)ccc12 ZINC000063857725 570752265 /nfs/dbraw/zinc/75/22/65/570752265.db2.gz ZQZNODJIZNUTLM-UHFFFAOYSA-N 0 0 376.504 4.914 50 0 GJAARN CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)cc1 ZINC000206900860 570755100 /nfs/dbraw/zinc/75/51/00/570755100.db2.gz OSORDHQJKSTEQV-UHFFFAOYSA-N 0 0 399.450 4.530 50 0 GJAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3cccc(C)c3C)cc2c1 ZINC000013514322 570756525 /nfs/dbraw/zinc/75/65/25/570756525.db2.gz QMZDCTYBKWVWTL-UHFFFAOYSA-N 0 0 386.451 4.893 50 0 GJAARN Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C)c1 ZINC000065258378 570760199 /nfs/dbraw/zinc/76/01/99/570760199.db2.gz PGFVJXDRKRWGOV-UHFFFAOYSA-N 0 0 389.480 4.692 50 0 GJAARN Cc1ccn2c(c1)nc1c2[C@H](c2cccc(Oc3ccccc3)c2)CC(=O)NC1 ZINC000065394303 570764953 /nfs/dbraw/zinc/76/49/53/570764953.db2.gz CBGICWLTQQKCTB-FQEVSTJZSA-N 0 0 383.451 4.587 50 0 GJAARN CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621665 570765874 /nfs/dbraw/zinc/76/58/74/570765874.db2.gz KOXJMTAUWLSYQI-MRXNPFEDSA-N 0 0 388.515 4.732 50 0 GJAARN Cc1nn2c(ncc(C(=O)Nc3ccccc3F)c2C)c1-c1ccc(F)cc1 ZINC000021914117 570766648 /nfs/dbraw/zinc/76/66/48/570766648.db2.gz QOOKYMKUQNMKPR-UHFFFAOYSA-N 0 0 378.382 4.544 50 0 GJAARN Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc(CSc3ccccn3)cc2)c1 ZINC000065432519 570768399 /nfs/dbraw/zinc/76/83/99/570768399.db2.gz YBFAIEBCYGDONZ-SFHVURJKSA-N 0 0 391.540 4.781 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000032726834 570769681 /nfs/dbraw/zinc/76/96/81/570769681.db2.gz VYYVVKPZHFWHIC-UHFFFAOYSA-N 0 0 380.469 4.767 50 0 GJAARN Cc1ccc(-c2csc3[nH]c(CN(C)Cc4ccccc4)nc(=O)c23)cc1 ZINC000013682803 570773454 /nfs/dbraw/zinc/77/34/54/570773454.db2.gz WDONVFSQRJZLAA-UHFFFAOYSA-N 0 0 375.497 4.592 50 0 GJAARN Brc1cccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn32)c1 ZINC000013692165 570776423 /nfs/dbraw/zinc/77/64/23/570776423.db2.gz TUXQWGWCXZFMSC-UHFFFAOYSA-N 0 0 396.273 4.764 50 0 GJAARN CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)(C)C)cc1 ZINC000013712801 570778067 /nfs/dbraw/zinc/77/80/67/570778067.db2.gz HTQDIIQFRFMEGK-UHFFFAOYSA-N 0 0 392.499 4.815 50 0 GJAARN COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000007088139 570784010 /nfs/dbraw/zinc/78/40/10/570784010.db2.gz XLQAZDGTATVKPU-QHCPKHFHSA-N 0 0 396.450 4.652 50 0 GJAARN C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000032731796 570788161 /nfs/dbraw/zinc/78/81/61/570788161.db2.gz MJQPCJHHQJVNNH-CYBMUJFWSA-N 0 0 396.384 4.760 50 0 GJAARN COc1ncccc1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067727323 570788321 /nfs/dbraw/zinc/78/83/21/570788321.db2.gz UPUUPCWEMLVTJL-UHFFFAOYSA-N 0 0 396.874 4.511 50 0 GJAARN C[C@H](NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1)c1ccccn1 ZINC000065307613 570788927 /nfs/dbraw/zinc/78/89/27/570788927.db2.gz UJRIUUQCNLEXFY-AWEZNQCLSA-N 0 0 376.847 4.541 50 0 GJAARN Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013777550 570789481 /nfs/dbraw/zinc/78/94/81/570789481.db2.gz LTACZDKDYJJZSE-YKSBVNFPSA-N 0 0 384.435 4.966 50 0 GJAARN O=C(c1cc2ccccc2cn1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067756196 570789723 /nfs/dbraw/zinc/78/97/23/570789723.db2.gz WSLPEMYVYGYVTI-IBGZPJMESA-N 0 0 387.266 4.755 50 0 GJAARN CCC[C@H]1CCCN1C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 ZINC000067774423 570790637 /nfs/dbraw/zinc/79/06/37/570790637.db2.gz STOMIZRMTZDVTE-SFHVURJKSA-N 0 0 394.471 4.820 50 0 GJAARN COc1cc2c(cc1NC(=O)CC(C)C)[C@H](c1cccc3[nH]ccc31)CC(=O)N2 ZINC000067817072 570792405 /nfs/dbraw/zinc/79/24/05/570792405.db2.gz BGDNIPPZGQLVPM-INIZCTEOSA-N 0 0 391.471 4.635 50 0 GJAARN O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000067842474 570793440 /nfs/dbraw/zinc/79/34/40/570793440.db2.gz KASZFPUEWOTKSP-RUZDIDTESA-N 0 0 388.511 4.529 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2ccc(Br)s2)c1)c1ccco1 ZINC000011179816 570794471 /nfs/dbraw/zinc/79/44/71/570794471.db2.gz VNEAMRZQXPGSQJ-UHFFFAOYSA-N 0 0 391.246 4.608 50 0 GJAARN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cc2ccccc2o1 ZINC000007116487 570795432 /nfs/dbraw/zinc/79/54/32/570795432.db2.gz CZWAOMPAKZLLRB-FUHWJXTLSA-N 0 0 391.471 4.554 50 0 GJAARN O=C(NCCSCc1ccsc1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000032753158 570796048 /nfs/dbraw/zinc/79/60/48/570796048.db2.gz BQUMWDGFEHEQHA-UHFFFAOYSA-N 0 0 399.512 4.781 50 0 GJAARN CSc1nc2ccc3nc(NC(=O)c4ccn(C(C)C)n4)sc3c2s1 ZINC000036701806 570796623 /nfs/dbraw/zinc/79/66/23/570796623.db2.gz RUVJARIAXWNSSC-UHFFFAOYSA-N 0 0 389.531 4.658 50 0 GJAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 ZINC000005859080 570797793 /nfs/dbraw/zinc/79/77/93/570797793.db2.gz GENHKNNNLZBXIA-UHFFFAOYSA-N 0 0 391.496 4.705 50 0 GJAARN CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccc(SC)cc1)O[C@@H](C)C2 ZINC000032756180 570798098 /nfs/dbraw/zinc/79/80/98/570798098.db2.gz KFBCILQJXCXOHR-AWEZNQCLSA-N 0 0 399.512 4.732 50 0 GJAARN O=C(Nc1nccs1)c1cccc(CN2CCCC[C@@H]2c2cccnc2)c1 ZINC000067947028 570798090 /nfs/dbraw/zinc/79/80/90/570798090.db2.gz OKKBOZLOOVOHMR-LJQANCHMSA-N 0 0 378.501 4.518 50 0 GJAARN CC(C)c1nccn1CCCNC(=O)c1ccc(-c2cc3ccccc3o2)nc1 ZINC000067965116 570798584 /nfs/dbraw/zinc/79/85/84/570798584.db2.gz JZJGLIDFGAWPOC-UHFFFAOYSA-N 0 0 388.471 4.635 50 0 GJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)nc2)C1 ZINC000067965694 570799119 /nfs/dbraw/zinc/79/91/19/570799119.db2.gz VJEYXCFQADPZEH-HXUWFJFHSA-N 0 0 389.499 4.697 50 0 GJAARN CCSc1ccccc1C(=O)N1C[C@H](c2nc(C)no2)[C@@H](c2ccccc2)C1 ZINC000238820290 570799254 /nfs/dbraw/zinc/79/92/54/570799254.db2.gz CMJMCBROCRMITN-MOPGFXCFSA-N 0 0 393.512 4.513 50 0 GJAARN CCCc1nc(CSc2nnc(NCc3ccc(F)cc3)s2)cs1 ZINC000032777223 570799515 /nfs/dbraw/zinc/79/95/15/570799515.db2.gz OKKJFMMMLZNHJQ-UHFFFAOYSA-N 0 0 380.539 4.991 50 0 GJAARN O=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000007129925 570800258 /nfs/dbraw/zinc/80/02/58/570800258.db2.gz IKRCVNMWEYWFDU-UHFFFAOYSA-N 0 0 390.508 4.906 50 0 GJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)c2ccccc12 ZINC000007132648 570801070 /nfs/dbraw/zinc/80/10/70/570801070.db2.gz MPCPSTGJEBLISW-CQSZACIVSA-N 0 0 394.858 4.636 50 0 GJAARN O=C(NCCc1ccccc1)Nc1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000065330177 570801490 /nfs/dbraw/zinc/80/14/90/570801490.db2.gz WLTGSVFVGQXZHB-UHFFFAOYSA-N 0 0 390.468 4.829 50 0 GJAARN CCOc1ccc(N=C2S/C(=C/c3ccc(OC)cc3)C(=O)N2CC)cc1 ZINC000005897074 570801807 /nfs/dbraw/zinc/80/18/07/570801807.db2.gz XQLNMFMHNGIBOH-QTQSSRPMSA-N 0 0 382.485 4.718 50 0 GJAARN CCN(C(=O)CSc1nc2cc(Cl)cnc2[nH]1)c1cccc2ccccc21 ZINC000005903686 570803155 /nfs/dbraw/zinc/80/31/55/570803155.db2.gz KMESPCWFGNWMKN-UHFFFAOYSA-N 0 0 396.903 4.910 50 0 GJAARN COc1ccc(-c2nc3cc(NC(=O)c4ccncc4)ccc3o2)cc1Cl ZINC000005918070 570803429 /nfs/dbraw/zinc/80/34/29/570803429.db2.gz MFBMXNKKIGOXKB-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN CN(C)c1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 ZINC000583652292 570805302 /nfs/dbraw/zinc/80/53/02/570805302.db2.gz ZSVVUSDVWLEAHV-UHFFFAOYSA-N 0 0 389.286 4.557 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1nc2ccccc2nc1NCc1ccccc1 ZINC000033086123 570807998 /nfs/dbraw/zinc/80/79/98/570807998.db2.gz MSOSNRGUSFSKIM-UHFFFAOYSA-N 0 0 398.466 4.811 50 0 GJAARN CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C1CCCCC1 ZINC000007161067 570808242 /nfs/dbraw/zinc/80/82/42/570808242.db2.gz CTDVZMJGSJLDGM-UHFFFAOYSA-N 0 0 387.549 4.917 50 0 GJAARN Cc1ccc(NC(=O)Cc2nc(CN3CCCc4ccccc43)cs2)cc1 ZINC000005688877 570810342 /nfs/dbraw/zinc/81/03/42/570810342.db2.gz 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C[C@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2N1C(=O)c1ccccc1 ZINC000001381822 212241461 /nfs/dbraw/zinc/24/14/61/212241461.db2.gz HUCSZHXNBPCDPM-INIZCTEOSA-N 0 0 390.870 4.922 50 0 GJAARN Cc1cc(C)c(C(=O)c2ccccc2)c(OC(=O)c2c(F)cc(F)cc2F)n1 ZINC000001391666 212241193 /nfs/dbraw/zinc/24/11/93/212241193.db2.gz JXINLCUIEFMOJZ-UHFFFAOYSA-N 0 0 385.341 4.566 50 0 GJAARN CCCN(CCC)C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000009784914 212240610 /nfs/dbraw/zinc/24/06/10/212240610.db2.gz KBFKEUGFVDNAFS-UHFFFAOYSA-N 0 0 394.928 4.632 50 0 GJAARN Cc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000010258804 212240371 /nfs/dbraw/zinc/24/03/71/212240371.db2.gz XRWVZKPWSXUYBN-UHFFFAOYSA-N 0 0 375.875 4.527 50 0 GJAARN O=C(c1c(F)cccc1F)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000010254559 212239730 /nfs/dbraw/zinc/23/97/30/212239730.db2.gz MWGCLDLHLSPDTP-UHFFFAOYSA-N 0 0 378.806 4.871 50 0 GJAARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000001305408 212235806 /nfs/dbraw/zinc/23/58/06/212235806.db2.gz 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212229075 /nfs/dbraw/zinc/22/90/75/212229075.db2.gz CFDUBUMRFQMJLL-QHCPKHFHSA-N 0 0 391.467 4.622 50 0 GJAARN COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001143482 212222721 /nfs/dbraw/zinc/22/27/21/212222721.db2.gz FZKZPSFBFOQBDX-UHFFFAOYSA-N 0 0 386.407 4.946 50 0 GJAARN COc1cc(C(=S)N2CCCC2)ccc1OCc1c(F)cccc1Cl ZINC000001142138 212222489 /nfs/dbraw/zinc/22/24/89/212222489.db2.gz RIQSDPQCBJECAU-UHFFFAOYSA-N 0 0 379.884 4.838 50 0 GJAARN CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000001136970 212222204 /nfs/dbraw/zinc/22/22/04/212222204.db2.gz KLSQZZKERWWKGI-UHFFFAOYSA-N 0 0 392.421 4.918 50 0 GJAARN CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(N)c1 ZINC000001112559 212217790 /nfs/dbraw/zinc/21/77/90/212217790.db2.gz NELSWOPHZDUZHP-UHFFFAOYSA-N 0 0 389.322 4.602 50 0 GJAARN COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000001117872 212219386 /nfs/dbraw/zinc/21/93/86/212219386.db2.gz VTJADHPZSBFFJF-UHFFFAOYSA-N 0 0 379.799 4.942 50 0 GJAARN COc1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1OC 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Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)sc21 ZINC000001027180 212207469 /nfs/dbraw/zinc/20/74/69/212207469.db2.gz NHWYKBWUNIOILI-UHFFFAOYSA-N 0 0 393.312 4.925 50 0 GJAARN O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000001029920 212207491 /nfs/dbraw/zinc/20/74/91/212207491.db2.gz KGNRKROZBCFJBT-UHFFFAOYSA-N 0 0 380.753 4.944 50 0 GJAARN Cc1c2ccccc2oc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000001055014 212210798 /nfs/dbraw/zinc/21/07/98/212210798.db2.gz DCMXHIVSIBYRCU-UHFFFAOYSA-N 0 0 384.435 4.924 50 0 GJAARN CCOC(=O)[C@@H](Oc1cc2c(cc1C)oc(=O)c1c2CCCC1)c1ccccc1 ZINC000001050216 212210901 /nfs/dbraw/zinc/21/09/01/212210901.db2.gz ZFDGWFYLGOOSDK-QFIPXVFZSA-N 0 0 392.451 4.663 50 0 GJAARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1I ZINC000001055303 212210939 /nfs/dbraw/zinc/21/09/39/212210939.db2.gz QUIASEQRCNEXJP-UHFFFAOYSA-N 0 0 377.181 4.598 50 0 GJAARN CCOC(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000000986493 212203164 /nfs/dbraw/zinc/20/31/64/212203164.db2.gz CQSBZFDHOCOZSI-UHFFFAOYSA-N 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C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC(C)(C)C ZINC000000901094 212193890 /nfs/dbraw/zinc/19/38/90/212193890.db2.gz OQXGFEHUCQHPEG-LLVKDONJSA-N 0 0 383.439 4.558 50 0 GJAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1C ZINC000009324502 212181593 /nfs/dbraw/zinc/18/15/93/212181593.db2.gz JNWZOURQONRRRF-UHFFFAOYSA-N 0 0 398.513 4.774 50 0 GJAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccccc3C(F)(F)F)nn21 ZINC000000829522 212187236 /nfs/dbraw/zinc/18/72/36/212187236.db2.gz VAPUFYYPIYFHML-UHFFFAOYSA-N 0 0 396.372 4.976 50 0 GJAARN O=C1[C@@H](c2ccccc2)c2ccccc2N1Nc1ccc(Br)cc1 ZINC000000828980 212186865 /nfs/dbraw/zinc/18/68/65/212186865.db2.gz LISWPIPYZJZIIA-IBGZPJMESA-N 0 0 379.257 4.955 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000000815253 212184186 /nfs/dbraw/zinc/18/41/86/212184186.db2.gz PAKCJBSSORQCBF-OAHLLOKOSA-N 0 0 384.430 4.739 50 0 GJAARN O=C(Nc1ccc(-c2ccc(NC(=O)c3ccncc3)cc2)cc1)c1ccncc1 ZINC000000807265 212184213 /nfs/dbraw/zinc/18/42/13/212184213.db2.gz 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/nfs/dbraw/zinc/17/98/68/212179868.db2.gz JGNDNQVVNPAJMT-UHFFFAOYSA-N 0 0 396.425 4.686 50 0 GJAARN NC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000000759470 212179404 /nfs/dbraw/zinc/17/94/04/212179404.db2.gz IIQGXLWYYRBGOS-UHFFFAOYSA-N 0 0 390.917 4.846 50 0 GJAARN CCc1c(C)sc(NC(=O)c2c(C)onc2-c2ccccc2)c1C(=O)OC ZINC000000671365 212172258 /nfs/dbraw/zinc/17/22/58/212172258.db2.gz BQFZTGQOJLXRBF-UHFFFAOYSA-N 0 0 384.457 4.621 50 0 GJAARN O=C(COc1ccc2ccccc2c1Br)N1CCCc2ccccc21 ZINC000000671277 212171925 /nfs/dbraw/zinc/17/19/25/212171925.db2.gz XGEHPKQGZGQEOA-UHFFFAOYSA-N 0 0 396.284 4.961 50 0 GJAARN CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCO1 ZINC000000667857 212171199 /nfs/dbraw/zinc/17/11/99/212171199.db2.gz ZHXNVSMORFYOHU-GOSISDBHSA-N 0 0 395.480 4.863 50 0 GJAARN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c1 ZINC000000637592 212167219 /nfs/dbraw/zinc/16/72/19/212167219.db2.gz CHQURUJKEPAPBM-ZCOIRKDISA-N 0 0 393.486 4.874 50 0 GJAARN COc1ccc(C(=O)CCSc2ccc(Br)cc2)cc1OC ZINC000000637033 212167280 /nfs/dbraw/zinc/16/72/80/212167280.db2.gz VYDHSPBCOOWFGV-UHFFFAOYSA-N 0 0 381.291 4.831 50 0 GJAARN Fc1ccc(-c2csc3ncnc(NCCc4ccc5c(c4)OCO5)c23)cc1 ZINC000000632009 212167052 /nfs/dbraw/zinc/16/70/52/212167052.db2.gz MRFVZYJWFRGYJH-UHFFFAOYSA-N 0 0 393.443 4.881 50 0 GJAARN COc1ccc(-c2nn3c(nnc3-c3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000000632731 212166909 /nfs/dbraw/zinc/16/69/09/212166909.db2.gz CXUYLHJIERTHBG-UHFFFAOYSA-N 0 0 376.363 4.547 50 0 GJAARN C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)c1ccccc1 ZINC000000639069 212168624 /nfs/dbraw/zinc/16/86/24/212168624.db2.gz RKWNNWBKBJCKOW-CYBMUJFWSA-N 0 0 382.843 4.975 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)c3ccncc3Br)n2)c(C)c1 ZINC000153496830 212159319 /nfs/dbraw/zinc/15/93/19/212159319.db2.gz KSUFJQPVSPSSEC-UHFFFAOYSA-N 0 0 388.290 4.837 50 0 GJAARN COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccco4)ccc3c2C)c1 ZINC000015729339 212150038 /nfs/dbraw/zinc/15/00/38/212150038.db2.gz UXHHYIZMIOSRFP-UHFFFAOYSA-N 0 0 375.380 4.826 50 0 GJAARN CSCC[C@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2[nH]1 ZINC000263588008 212141716 /nfs/dbraw/zinc/14/17/16/212141716.db2.gz NWMAPYDQJZGYLO-RBUKOAKNSA-N 0 0 384.549 4.562 50 0 GJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCC45OCCO5)[C@@H]3CC[C@H]2C1 ZINC000253499258 212137527 /nfs/dbraw/zinc/13/75/27/212137527.db2.gz DPBGWNOQXKBDCB-HKHBUPFLSA-N 0 0 376.537 4.704 50 0 biogenic GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239412405 212133129 /nfs/dbraw/zinc/13/31/29/212133129.db2.gz SQQVUPWFLQNMHA-NEWJYFPISA-N 0 0 397.449 5.069 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)c(OC)c1 ZINC000245380952 212134990 /nfs/dbraw/zinc/13/49/90/212134990.db2.gz WPKQCEHJZJSIBU-QPPBQGQZSA-N 0 0 386.451 4.946 50 0 GJAARN O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2ccncc2)C1 ZINC000328592044 212083295 /nfs/dbraw/zinc/08/32/95/212083295.db2.gz QLEDHHDTXBUSJO-MRXNPFEDSA-N 0 0 393.314 4.954 50 0 GJAARN CC[C@H]1C[C@@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)CCO1 ZINC000328595388 212082471 /nfs/dbraw/zinc/08/24/71/212082471.db2.gz TVLYCKCDXQFCLX-ZFWWWQNUSA-N 0 0 380.326 4.669 50 0 GJAARN O=C(CCc1ccc(-c2ccc(Br)cc2)o1)NCc1ccccc1 ZINC000004542717 212079642 /nfs/dbraw/zinc/07/96/42/212079642.db2.gz ATYXCANVCZHNOA-UHFFFAOYSA-N 0 0 384.273 4.958 50 0 GJAARN O=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000004542212 212079348 /nfs/dbraw/zinc/07/93/48/212079348.db2.gz KMCWJYQWEAEWLN-UHFFFAOYSA-N 0 0 377.149 4.974 50 0 GJAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3ccccc3Cl)c2n1 ZINC000003765477 209118201 /nfs/dbraw/zinc/11/82/01/209118201.db2.gz RSGKPXRAZWSIMH-UHFFFAOYSA-N 0 0 377.875 4.890 50 0 GJAARN Oc1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccco3)n2)c1 ZINC000001406754 209114927 /nfs/dbraw/zinc/11/49/27/209114927.db2.gz VGZZNOOIMOTCSR-UHFFFAOYSA-N 0 0 377.347 4.980 50 0 GJAARN CC[C@@H]1C[C@@H](C(=O)N2CCC(C)(C)c3ccc(Br)cc32)CCO1 ZINC000328595385 206230864 /nfs/dbraw/zinc/23/08/64/206230864.db2.gz TVLYCKCDXQFCLX-DZGCQCFKSA-N 0 0 380.326 4.669 50 0 GJAARN Cc1c2cc(Br)ccc2oc1C(=O)NCc1cc(F)ccc1C ZINC000334161808 206255862 /nfs/dbraw/zinc/25/58/62/206255862.db2.gz FWHCKBXGUPNQMU-UHFFFAOYSA-N 0 0 376.225 4.881 50 0 GJAARN Cc1nc(-c2ccccc2)c(C(=O)NCCCn2ncc3c2cccc3C)s1 ZINC000257173608 206286816 /nfs/dbraw/zinc/28/68/16/206286816.db2.gz SCFQKMCUWQDHAP-UHFFFAOYSA-N 0 0 390.512 4.597 50 0 GJAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)NCCc1ccc(O)cc1 ZINC000263587328 206286828 /nfs/dbraw/zinc/28/68/28/206286828.db2.gz FPVSISDVYIWURY-DEOSSOPVSA-N 0 0 384.479 4.685 50 0 GJAARN COCCn1ccc2c1cccc2NC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263587816 206287865 /nfs/dbraw/zinc/28/78/65/206287865.db2.gz LONGCCJWUFWZDF-OAQYLSRUSA-N 0 0 393.512 4.769 50 0 GJAARN Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000000600761 206290020 /nfs/dbraw/zinc/29/00/20/206290020.db2.gz UOEJSOXEHKCNAE-UHFFFAOYSA-N 0 0 381.439 4.843 50 0 GJAARN CCOC(=O)c1c2cc(OC(=O)C(C)C)ccc2oc1-c1ccc(OC)cc1 ZINC000001322321 206290141 /nfs/dbraw/zinc/29/01/41/206290141.db2.gz IODHAEHGGUFDHW-UHFFFAOYSA-N 0 0 382.412 4.847 50 0 biogenic GJAARN COc1ccc(-c2nn3c(nnc3-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC000000632686 206309763 /nfs/dbraw/zinc/30/97/63/206309763.db2.gz FQHNCLHCHKWXFW-UHFFFAOYSA-N 0 0 376.363 4.547 50 0 GJAARN O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1ccco1 ZINC000000631505 206309872 /nfs/dbraw/zinc/30/98/72/206309872.db2.gz DMGCEEBVNYJJJK-GOSISDBHSA-N 0 0 389.238 4.637 50 0 GJAARN Fc1ccc(OCc2nn3c(nnc3-c3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000000632916 206310539 /nfs/dbraw/zinc/31/05/39/206310539.db2.gz VJMKYIFVBAHKII-UHFFFAOYSA-N 0 0 394.353 4.590 50 0 GJAARN O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)cc1 ZINC000000632880 206310585 /nfs/dbraw/zinc/31/05/85/206310585.db2.gz LWFIZEXIDNABMZ-UHFFFAOYSA-N 0 0 379.304 4.790 50 0 GJAARN Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3C)sc2Cl)cc1 ZINC000000634742 206310730 /nfs/dbraw/zinc/31/07/30/206310730.db2.gz VUSTZJWYLUKVKZ-UHFFFAOYSA-N 0 0 378.906 4.990 50 0 GJAARN Cc1[nH]c2c(cccc2Cl)c1CCNS(=O)(=O)c1ccc(C)c(C)c1C ZINC000000644601 206311531 /nfs/dbraw/zinc/31/15/31/206311531.db2.gz UQNRTKDPUGAESG-UHFFFAOYSA-N 0 0 390.936 4.576 50 0 GJAARN CNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000643892 206311836 /nfs/dbraw/zinc/31/18/36/206311836.db2.gz STLLNDVIFNBFNU-GFCCVEGCSA-N 0 0 388.508 4.650 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)NCc4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000000661889 206313271 /nfs/dbraw/zinc/31/32/71/206313271.db2.gz ASOLCMHFJBYKSH-LBPRGKRZSA-N 0 0 399.947 4.977 50 0 GJAARN COc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 ZINC000000669296 206314099 /nfs/dbraw/zinc/31/40/99/206314099.db2.gz FMMIASBVNZIMAA-UHFFFAOYSA-N 0 0 382.463 4.883 50 0 biogenic GJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Br)s1 ZINC000000668587 206314107 /nfs/dbraw/zinc/31/41/07/206314107.db2.gz FCSCANHTNNHZOH-UHFFFAOYSA-N 0 0 386.270 4.994 50 0 GJAARN COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000662470 206314701 /nfs/dbraw/zinc/31/47/01/206314701.db2.gz QIXSWRNBEXWPKR-HSZRJFAPSA-N 0 0 394.492 4.792 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CC(C)(C)OC2 ZINC000000663107 206314781 /nfs/dbraw/zinc/31/47/81/206314781.db2.gz ZAKMYPNPDZHEDM-UHFFFAOYSA-N 0 0 399.468 4.775 50 0 GJAARN CCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccc(OC)cc2)cc1OCC ZINC000000668053 206314875 /nfs/dbraw/zinc/31/48/75/206314875.db2.gz QKWMMCBTWTXGMI-CYBMUJFWSA-N 0 0 377.868 4.637 50 0 GJAARN O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)o1 ZINC000000672615 206315172 /nfs/dbraw/zinc/31/51/72/206315172.db2.gz HIBBKHDMOFHZTI-UHFFFAOYSA-N 0 0 385.217 4.547 50 0 GJAARN CCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(=O)CC)c1ccccc1-2 ZINC000000684584 206317052 /nfs/dbraw/zinc/31/70/52/206317052.db2.gz CWUDFZGTIZTYCL-SFHVURJKSA-N 0 0 398.513 4.546 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 ZINC000000710854 206318640 /nfs/dbraw/zinc/31/86/40/206318640.db2.gz QIKCTEXFDFDZNU-UHFFFAOYSA-N 0 0 382.323 4.856 50 0 GJAARN CCOc1ccccc1NC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000000724070 206319753 /nfs/dbraw/zinc/31/97/53/206319753.db2.gz LZNUVNUIUUGCBP-UHFFFAOYSA-N 0 0 375.424 4.865 50 0 GJAARN O=C(c1cccc(Br)c1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000009317741 206319981 /nfs/dbraw/zinc/31/99/81/206319981.db2.gz PRYBRJWASBYARH-UHFFFAOYSA-N 0 0 387.277 4.702 50 0 GJAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000000771827 206320598 /nfs/dbraw/zinc/32/05/98/206320598.db2.gz ZYSWBDASMRTCDG-LQDNNDEMSA-N 0 0 399.877 4.911 50 0 GJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Br)cc2)c(C)c1 ZINC000000756718 206320871 /nfs/dbraw/zinc/32/08/71/206320871.db2.gz SLTITWOXUYUBQO-UHFFFAOYSA-N 0 0 394.276 4.938 50 0 GJAARN Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CCCCC1 ZINC000000797572 206321566 /nfs/dbraw/zinc/32/15/66/206321566.db2.gz FMXOURRDSQXSCA-UHFFFAOYSA-N 0 0 398.454 4.612 50 0 GJAARN COc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1OC ZINC000000812043 206322986 /nfs/dbraw/zinc/32/29/86/206322986.db2.gz BXOJOXOUTRYKMR-UHFFFAOYSA-N 0 0 383.256 4.873 50 0 GJAARN COc1cc(C(=O)Oc2ccc3c(c2)[C@@H](C)CC(C)(C)N3)cc(OC)c1OC ZINC000000806574 206323070 /nfs/dbraw/zinc/32/30/70/206323070.db2.gz OOFXJVZNXXYRML-ZDUSSCGKSA-N 0 0 385.460 4.629 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Br)c1 ZINC000000825439 206325885 /nfs/dbraw/zinc/32/58/85/206325885.db2.gz GWFNKOGAUYQLJI-UHFFFAOYSA-N 0 0 382.279 4.556 50 0 GJAARN Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)NC(C)C ZINC000000848473 206327395 /nfs/dbraw/zinc/32/73/95/206327395.db2.gz MGSMZVJNONDGLN-UHFFFAOYSA-N 0 0 396.800 4.515 50 0 GJAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000873598 206330390 /nfs/dbraw/zinc/33/03/90/206330390.db2.gz WKHAQTLUWWVSQD-UHFFFAOYSA-N 0 0 391.423 4.708 50 0 GJAARN Cc1c(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cnn1Cc1ccccc1 ZINC000151907522 206304892 /nfs/dbraw/zinc/30/48/92/206304892.db2.gz WVMAFGHUQVXOGJ-UHFFFAOYSA-N 0 0 399.498 4.603 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(O)cc2)sc(C)c1-c1ccccc1 ZINC000000936523 206334858 /nfs/dbraw/zinc/33/48/58/206334858.db2.gz WYPAQFJACPFPMB-UHFFFAOYSA-N 0 0 381.453 4.858 50 0 GJAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc2c(c1)OCCO2 ZINC000000944207 206335130 /nfs/dbraw/zinc/33/51/30/206335130.db2.gz LARCNQCPQRMIGX-UHFFFAOYSA-N 0 0 398.846 4.888 50 0 GJAARN CCOc1ccc(NC(=O)CSc2cc(C)c3ccc(OC)cc3n2)cc1 ZINC000000943205 206335150 /nfs/dbraw/zinc/33/51/50/206335150.db2.gz ATKGKQFOGCJWCG-UHFFFAOYSA-N 0 0 382.485 4.681 50 0 GJAARN Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)c1 ZINC000000942547 206335189 /nfs/dbraw/zinc/33/51/89/206335189.db2.gz JBYHIWCOTILTEG-MRXNPFEDSA-N 0 0 396.439 4.860 50 0 biogenic GJAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000000939233 206335704 /nfs/dbraw/zinc/33/57/04/206335704.db2.gz APACGUDWMWRWIH-UHFFFAOYSA-N 0 0 381.646 4.738 50 0 GJAARN Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3c2=O)c1 ZINC000000942544 206335847 /nfs/dbraw/zinc/33/58/47/206335847.db2.gz NVAZQWSSNYFCNB-HNNXBMFYSA-N 0 0 382.412 4.613 50 0 biogenic GJAARN COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000000943579 206335858 /nfs/dbraw/zinc/33/58/58/206335858.db2.gz LFBPXCRWJWMIKV-UHFFFAOYSA-N 0 0 375.852 4.685 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@H](C)C2 ZINC000000948405 206336662 /nfs/dbraw/zinc/33/66/62/206336662.db2.gz ZBAMFCQKMLMPSD-CRALRDPISA-N 0 0 375.515 4.763 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1Br ZINC000000951032 206336907 /nfs/dbraw/zinc/33/69/07/206336907.db2.gz OPKIORARNINPSL-VZUCSPMQSA-N 0 0 390.277 4.897 50 0 GJAARN CC(C)c1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 ZINC000000980870 206338561 /nfs/dbraw/zinc/33/85/61/206338561.db2.gz SKBVISWSFWOMSM-HNNXBMFYSA-N 0 0 390.405 4.820 50 0 GJAARN O=C(c1ccccc1C(=O)N1CCCc2ccccc21)N1CCCc2ccccc21 ZINC000000973645 206338942 /nfs/dbraw/zinc/33/89/42/206338942.db2.gz KZIUZWSGKFPTRQ-UHFFFAOYSA-N 0 0 396.490 4.873 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCCCC2 ZINC000000995368 206339343 /nfs/dbraw/zinc/33/93/43/206339343.db2.gz 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206341310 /nfs/dbraw/zinc/34/13/10/206341310.db2.gz GSNJDXUNQFYYPY-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN CCN(C(=O)Nc1ccc(OC)cc1)c1nnc(-c2ccc(Cl)cc2)s1 ZINC000001138789 206358107 /nfs/dbraw/zinc/35/81/07/206358107.db2.gz MUIPQMRZDAQMBC-UHFFFAOYSA-N 0 0 388.880 4.926 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000001024242 206342051 /nfs/dbraw/zinc/34/20/51/206342051.db2.gz XYKSKWMQFNLUNG-CYBMUJFWSA-N 0 0 392.286 4.644 50 0 GJAARN COc1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)c(OC)c1 ZINC000001015535 206342303 /nfs/dbraw/zinc/34/23/03/206342303.db2.gz FZWIRCCRRKSIQA-ZPGVXSSASA-N 0 0 385.463 4.940 50 0 GJAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1 ZINC000001013796 206342446 /nfs/dbraw/zinc/34/24/46/206342446.db2.gz SLVQIXLOABMZKC-ZDUSSCGKSA-N 0 0 387.501 4.699 50 0 GJAARN COCc1cc(C)nc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)c21 ZINC000001025732 206342528 /nfs/dbraw/zinc/34/25/28/206342528.db2.gz YCSCXNDBBHJRCR-UHFFFAOYSA-N 0 0 395.406 4.604 50 0 GJAARN Cc1ccc(CSc2nnc3c4cc(Br)ccc4[nH]c3n2)cc1 ZINC000001026618 206342551 /nfs/dbraw/zinc/34/25/51/206342551.db2.gz MVLJBBATRFFOQM-UHFFFAOYSA-N 0 0 385.290 4.869 50 0 GJAARN O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000001013168 206342670 /nfs/dbraw/zinc/34/26/70/206342670.db2.gz YIHHYXHFMIAISE-FLGOTCTISA-N 0 0 399.855 4.861 50 0 GJAARN CCOC(=O)c1cc(NC(=O)Nc2ccc(F)cc2)ccc1N1CCCCC1 ZINC000001030592 206342848 /nfs/dbraw/zinc/34/28/48/206342848.db2.gz VNKGZLQRMZPDPU-UHFFFAOYSA-N 0 0 385.439 4.637 50 0 GJAARN COc1ccc(/C=C2/N=C(c3ccccc3)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001036409 206343968 /nfs/dbraw/zinc/34/39/68/206343968.db2.gz QGKVHZUGNBFMIF-PXLXIMEGSA-N 0 0 386.426 4.664 50 0 GJAARN COc1ccc(SCc2nsc(Sc3ccc(OC)cc3)n2)cc1 ZINC000001039661 206344901 /nfs/dbraw/zinc/34/49/01/206344901.db2.gz JJYCIFHYUVPLRI-UHFFFAOYSA-N 0 0 376.528 4.999 50 0 GJAARN Cc1cc(S[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c(Cl)cc1Cl ZINC000001046030 206346234 /nfs/dbraw/zinc/34/62/34/206346234.db2.gz LKVIJJANXPXDRL-HNNXBMFYSA-N 0 0 384.259 4.865 50 0 GJAARN COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)c1 ZINC000001052604 206347187 /nfs/dbraw/zinc/34/71/87/206347187.db2.gz DRGYLXAOVABFNI-UHFFFAOYSA-N 0 0 377.421 4.986 50 0 GJAARN C[C@@H](C(=O)Nc1ccccc1Br)N1c2cccc3cccc(c23)C1=O ZINC000001061862 206347480 /nfs/dbraw/zinc/34/74/80/206347480.db2.gz FQWREESEQIZLNA-LBPRGKRZSA-N 0 0 395.256 4.590 50 0 GJAARN Cc1ccc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000001075813 206349395 /nfs/dbraw/zinc/34/93/95/206349395.db2.gz JKCHTJAGABRZAG-UHFFFAOYSA-N 0 0 384.523 4.784 50 0 GJAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2c1 ZINC000001073129 206349935 /nfs/dbraw/zinc/34/99/35/206349935.db2.gz BJABQQMQPRVRNV-UHFFFAOYSA-N 0 0 387.391 4.846 50 0 GJAARN Cc1[nH]c2c(cccc2C)c1CCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001074492 206350274 /nfs/dbraw/zinc/35/02/74/206350274.db2.gz PEIYBOZBTPZEQN-UHFFFAOYSA-N 0 0 397.327 4.613 50 0 GJAARN Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1C ZINC000001072259 206350307 /nfs/dbraw/zinc/35/03/07/206350307.db2.gz VSFJELJFPYNIIQ-UHFFFAOYSA-N 0 0 389.503 4.860 50 0 GJAARN Cc1c2ccccc2oc1C(=O)Nc1cccc(I)c1 ZINC000001084321 206350619 /nfs/dbraw/zinc/35/06/19/206350619.db2.gz LRASBMDZLSXASS-UHFFFAOYSA-N 0 0 377.181 4.598 50 0 GJAARN CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C)C2 ZINC000001081630 206350913 /nfs/dbraw/zinc/35/09/13/206350913.db2.gz VIEOAWKHSGCSNG-LBPRGKRZSA-N 0 0 376.547 4.669 50 0 GJAARN CCOc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1 ZINC000001100779 206352332 /nfs/dbraw/zinc/35/23/32/206352332.db2.gz XYKZTNHZVZLIOH-UHFFFAOYSA-N 0 0 384.526 4.767 50 0 GJAARN COc1ccc(-c2nnc(NCc3nc4ccccc4[nH]3)c3ccccc32)cc1 ZINC000001097234 206352471 /nfs/dbraw/zinc/35/24/71/206352471.db2.gz UHUIHKYJIBGOPZ-UHFFFAOYSA-N 0 0 381.439 4.794 50 0 GJAARN COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(OC(=O)c3ccco3)c2)cc1 ZINC000001094566 206352594 /nfs/dbraw/zinc/35/25/94/206352594.db2.gz DKORUICJOZUQIM-UHFFFAOYSA-N 0 0 390.391 4.898 50 0 GJAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001094361 206352642 /nfs/dbraw/zinc/35/26/42/206352642.db2.gz BFPCROGKTSMWJO-UHFFFAOYSA-N 0 0 382.847 4.689 50 0 GJAARN c1sc2ncnc(NCCc3ccccc3)c2c1[C@@H]1COc2ccccc2O1 ZINC000001109133 206353365 /nfs/dbraw/zinc/35/33/65/206353365.db2.gz WTYPTWTYRSIYOG-IBGZPJMESA-N 0 0 389.480 4.858 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)c(C)c1 ZINC000001108733 206353414 /nfs/dbraw/zinc/35/34/14/206353414.db2.gz NUUXHKMGGIVUEF-UHFFFAOYSA-N 0 0 385.632 4.814 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000001108464 206353436 /nfs/dbraw/zinc/35/34/36/206353436.db2.gz FBUDTOPLYIAHIB-OAHLLOKOSA-N 0 0 395.480 4.998 50 0 GJAARN COC(=O)c1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000001120716 206355114 /nfs/dbraw/zinc/35/51/14/206355114.db2.gz JXZMXHZEQJHLHO-JOCHJYFZSA-N 0 0 389.451 4.908 50 0 GJAARN O=C(CSCc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000001115902 206355200 /nfs/dbraw/zinc/35/52/00/206355200.db2.gz KGQJPVDMCCHPRQ-UHFFFAOYSA-N 0 0 382.510 4.872 50 0 GJAARN Fc1ccccc1N1CCN(C(=S)c2ccc(-c3ccccc3)cc2)CC1 ZINC000001114845 206355445 /nfs/dbraw/zinc/35/54/45/206355445.db2.gz OKOSTWOVUSALAD-UHFFFAOYSA-N 0 0 376.500 4.990 50 0 GJAARN CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccc(F)cc2)cc1 ZINC000001125252 206356065 /nfs/dbraw/zinc/35/60/65/206356065.db2.gz OIFLEDQBHIIPQZ-NHCUHLMSSA-N 0 0 383.463 4.876 50 0 GJAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1N1CCCC1 ZINC000001123746 206356504 /nfs/dbraw/zinc/35/65/04/206356504.db2.gz SIPAWLSDRYKVKF-UHFFFAOYSA-N 0 0 389.293 4.619 50 0 GJAARN CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccc(F)cc2)cc1 ZINC000001125256 206356602 /nfs/dbraw/zinc/35/66/02/206356602.db2.gz OIFLEDQBHIIPQZ-RTWAWAEBSA-N 0 0 383.463 4.876 50 0 GJAARN COc1ccc(-n2cnc3cc(NC(=O)c4ccc(Cl)cc4)ccc32)cc1 ZINC000001131613 206356954 /nfs/dbraw/zinc/35/69/54/206356954.db2.gz XFPJBRNDBUGRQH-UHFFFAOYSA-N 0 0 377.831 4.940 50 0 GJAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnc1 ZINC000001305921 206371394 /nfs/dbraw/zinc/37/13/94/206371394.db2.gz MUDPGMWUQBQPRT-UHFFFAOYSA-N 0 0 399.281 4.657 50 0 GJAARN O=C(CSc1nc2ccccc2c(=O)[nH]1)N(C1CCCCC1)C1CCCCC1 ZINC000001325658 206372828 /nfs/dbraw/zinc/37/28/28/206372828.db2.gz BSRIELVKXNVSDD-UHFFFAOYSA-N 0 0 399.560 4.509 50 0 GJAARN COc1ccc(CNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 ZINC000001324339 206373129 /nfs/dbraw/zinc/37/31/29/206373129.db2.gz JZFCQFZETDWQPL-UHFFFAOYSA-N 0 0 394.471 4.829 50 0 GJAARN COc1ccccc1-c1noc(CSc2nccn2-c2ccc(C)c(C)c2)n1 ZINC000010271186 206377238 /nfs/dbraw/zinc/37/72/38/206377238.db2.gz JLPHJZCIQMUMJG-UHFFFAOYSA-N 0 0 392.484 4.840 50 0 GJAARN Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@H](C(C)(C)C)CO2 ZINC000001392420 206378196 /nfs/dbraw/zinc/37/81/96/206378196.db2.gz VAHYYMAMMWDZTK-SFHVURJKSA-N 0 0 379.909 4.651 50 0 GJAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000001410555 206379454 /nfs/dbraw/zinc/37/94/54/206379454.db2.gz MHFBWSDXWXQHNY-UHFFFAOYSA-N 0 0 386.455 4.768 50 0 GJAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)sc2c1 ZINC000001413786 206379857 /nfs/dbraw/zinc/37/98/57/206379857.db2.gz CNDZXXAFKPBXNT-UHFFFAOYSA-N 0 0 399.541 4.992 50 0 GJAARN COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000001439791 206381787 /nfs/dbraw/zinc/38/17/87/206381787.db2.gz NWFJQNHXVXVASS-UHFFFAOYSA-N 0 0 391.452 4.606 50 0 GJAARN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)cc1 ZINC000001435866 206381852 /nfs/dbraw/zinc/38/18/52/206381852.db2.gz SUNBJVCYMUYCAJ-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN O=C(c1ccccc1F)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001457109 206382611 /nfs/dbraw/zinc/38/26/11/206382611.db2.gz BGVFBEHUAFLFEN-UHFFFAOYSA-N 0 0 389.470 4.614 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3ccc(OC4CCCC4)cc3)C[C@@H]2C)c1 ZINC000001457130 206383361 /nfs/dbraw/zinc/38/33/61/206383361.db2.gz WODSZSGHEPJZPJ-IBGZPJMESA-N 0 0 378.516 4.667 50 0 GJAARN COc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC ZINC000001141942 206358736 /nfs/dbraw/zinc/35/87/36/206358736.db2.gz ZGYBLLMRCPVNTH-UHFFFAOYSA-N 0 0 386.300 4.883 50 0 GJAARN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000001140988 206358788 /nfs/dbraw/zinc/35/87/88/206358788.db2.gz BSYIKQPEJZCEAC-NRFANRHFSA-N 0 0 381.859 4.877 50 0 biogenic,in-vitro GJAARN CCOC(=O)COc1ccc2c(c1)c(C(=O)c1ccccc1)c(C)n2CC(C)C ZINC000001138811 206358817 /nfs/dbraw/zinc/35/88/17/206358817.db2.gz ZROLRIUQOPCKHC-UHFFFAOYSA-N 0 0 393.483 4.779 50 0 GJAARN O=C(Cc1ccc(Br)cc1)Nc1nnc(C2CCCCC2)s1 ZINC000001138989 206358916 /nfs/dbraw/zinc/35/89/16/206358916.db2.gz HVQGCBSMCFKPED-UHFFFAOYSA-N 0 0 380.311 4.530 50 0 GJAARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2C)n1-c1ccc(C)cc1 ZINC000001146969 206359246 /nfs/dbraw/zinc/35/92/46/206359246.db2.gz XBSFFVJEMDVKIB-UHFFFAOYSA-N 0 0 386.908 4.577 50 0 GJAARN O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000001146075 206359938 /nfs/dbraw/zinc/35/99/38/206359938.db2.gz OMYZSEWCIAOYNJ-BBITVKMKSA-N 0 0 399.877 4.732 50 0 GJAARN Cc1cccc(NC(=O)c2cc(I)ccc2Cl)c1C ZINC000001156692 206360848 /nfs/dbraw/zinc/36/08/48/206360848.db2.gz 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/nfs/dbraw/zinc/36/88/85/206368885.db2.gz KZJBLWOEGNLQQH-UHFFFAOYSA-N 0 0 388.044 4.796 50 0 GJAARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000001225942 206368953 /nfs/dbraw/zinc/36/89/53/206368953.db2.gz YKHIQTJPFXHGRX-LQDNNDEMSA-N 0 0 399.877 4.911 50 0 GJAARN CCN(CC)C(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC[C@@H](C)C2 ZINC000001219039 206369457 /nfs/dbraw/zinc/36/94/57/206369457.db2.gz FZAOBKBFOFAWKZ-OAHLLOKOSA-N 0 0 384.545 4.916 50 0 GJAARN COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)cc2)cc(=O)o1 ZINC000001259014 206370347 /nfs/dbraw/zinc/37/03/47/206370347.db2.gz NRTOWWFXQLPBLC-UHFFFAOYSA-N 0 0 392.636 4.793 50 0 GJAARN COc1ccccc1C(=O)Nc1ccccc1SC(=O)c1ccccc1OC ZINC000001253771 206371044 /nfs/dbraw/zinc/37/10/44/206371044.db2.gz ODPYIOHOZXZFHR-UHFFFAOYSA-N 0 0 393.464 4.889 50 0 GJAARN CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccc(Br)cc1 ZINC000001769942 206391149 /nfs/dbraw/zinc/39/11/49/206391149.db2.gz WPIYAVAUNGBYJT-HNNXBMFYSA-N 0 0 379.231 4.978 50 0 GJAARN 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CC(C)CSc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 ZINC000006313613 206647503 /nfs/dbraw/zinc/64/75/03/206647503.db2.gz BLPPYBLMRRRXNQ-UHFFFAOYSA-N 0 0 379.529 4.764 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3/C(=C\NCc3ccccc3)C2=O)cc1C ZINC000006405229 206649882 /nfs/dbraw/zinc/64/98/82/206649882.db2.gz NDKQCCHBPPIHPI-XQNSMLJCSA-N 0 0 382.463 4.621 50 0 GJAARN O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006508739 206653252 /nfs/dbraw/zinc/65/32/52/206653252.db2.gz FAJJOOSPYDZYFS-UHFFFAOYSA-N 0 0 386.480 4.884 50 0 aggregator GJAARN COc1ccccc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000006672632 206663366 /nfs/dbraw/zinc/66/33/66/206663366.db2.gz LNNHQHHHJIYNNT-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000006590889 206656976 /nfs/dbraw/zinc/65/69/76/206656976.db2.gz PAAWOQFQSACRAZ-UHFFFAOYSA-N 0 0 375.424 4.532 50 0 GJAARN O=C(NCCCc1nc2ccccc2n1CCc1ccccc1)C1CCCCC1 ZINC000006752595 206670865 /nfs/dbraw/zinc/67/08/65/206670865.db2.gz 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CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cc1c(Cl)cccc1Cl ZINC000010216427 206808227 /nfs/dbraw/zinc/80/82/27/206808227.db2.gz YFLZEUBRGRITKL-UHFFFAOYSA-N 0 0 394.258 4.618 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c(C)c1 ZINC000009668726 206796877 /nfs/dbraw/zinc/79/68/77/206796877.db2.gz MJTOEJKYMZIGKJ-UHFFFAOYSA-N 0 0 387.439 4.833 50 0 GJAARN Fc1ccccc1-c1nnc(SCc2cscn2)n1Cc1ccccc1 ZINC000009753642 206799779 /nfs/dbraw/zinc/79/97/79/206799779.db2.gz FPNQVJHEJPKFME-UHFFFAOYSA-N 0 0 382.489 4.881 50 0 GJAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009751496 206800540 /nfs/dbraw/zinc/80/05/40/206800540.db2.gz MVJQSBLBBOTPOY-UHFFFAOYSA-N 0 0 399.450 4.584 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000011760854 206832623 /nfs/dbraw/zinc/83/26/23/206832623.db2.gz AOSSBZQZMOKBCF-UHFFFAOYSA-N 0 0 384.432 4.671 50 0 GJAARN O=C(CSc1ccc(Br)cc1)N1CCSc2ccccc21 ZINC000011341130 206823873 /nfs/dbraw/zinc/82/38/73/206823873.db2.gz ARAZKBKORGRAEA-UHFFFAOYSA-N 0 0 380.332 4.680 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000012062751 206852875 /nfs/dbraw/zinc/85/28/75/206852875.db2.gz LENOIEWMDCUJSU-MRXNPFEDSA-N 0 0 395.459 4.548 50 0 GJAARN O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCCCCCC1 ZINC000012316022 206883138 /nfs/dbraw/zinc/88/31/38/206883138.db2.gz QERYEGJPRMDOOE-UHFFFAOYSA-N 0 0 382.382 4.679 50 0 GJAARN Cc1nc2sccn2c1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012433508 206896899 /nfs/dbraw/zinc/89/68/99/206896899.db2.gz TVULBWFUCXRMIZ-SFHVURJKSA-N 0 0 382.533 4.544 50 0 GJAARN O=C(CCc1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012440721 206897776 /nfs/dbraw/zinc/89/77/76/206897776.db2.gz DAOHUXIKAAHJAJ-HSZRJFAPSA-N 0 0 387.508 4.731 50 0 GJAARN O=C(c1cncs1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000012458743 206902012 /nfs/dbraw/zinc/90/20/12/206902012.db2.gz QAGJNLMQYBLLNK-KRWDZBQOSA-N 0 0 392.480 4.671 50 0 GJAARN CCCCn1c(SCc2nc(C(C)C)no2)nc2sc(C)c(C)c2c1=O ZINC000012778050 206936719 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ZINC000033308392 207452337 /nfs/dbraw/zinc/45/23/37/207452337.db2.gz DREWDBYHUOIXMW-UHFFFAOYSA-N 0 0 398.962 4.620 50 0 GJAARN O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000033326937 207455738 /nfs/dbraw/zinc/45/57/38/207455738.db2.gz NQJZZWNVXJITGS-AQHRCUNFSA-N 0 0 398.871 4.571 50 0 GJAARN O=C(Nc1cc(N2CCCN(Cc3ccccc3)C2=O)ccc1Cl)C1CC1 ZINC000034739640 207473239 /nfs/dbraw/zinc/47/32/39/207473239.db2.gz GGSYREZIQBGKIJ-UHFFFAOYSA-N 0 0 383.879 4.521 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccc(F)cc2)c(OC)c1 ZINC000034796071 207475334 /nfs/dbraw/zinc/47/53/34/207475334.db2.gz QAAKSWMMVDECQJ-UHFFFAOYSA-N 0 0 397.450 4.684 50 0 GJAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 ZINC000035400597 207489748 /nfs/dbraw/zinc/48/97/48/207489748.db2.gz NGMFBVWNHXPEAB-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN Cc1ccc(C(=O)NC2CCCC2)cc1NC(=O)c1nsc2ccccc21 ZINC000035510327 207493185 /nfs/dbraw/zinc/49/31/85/207493185.db2.gz FDCHXAJZYIFQOS-UHFFFAOYSA-N 0 0 379.485 4.529 50 0 GJAARN CCOc1c2cc(NC(=O)Nc3cccc(F)c3)ccc2sc1C(=O)OC ZINC000035513030 207495064 /nfs/dbraw/zinc/49/50/64/207495064.db2.gz HRBYESFOPYKNOT-UHFFFAOYSA-N 0 0 388.420 4.870 50 0 GJAARN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc(Br)c1 ZINC000035539770 207496324 /nfs/dbraw/zinc/49/63/24/207496324.db2.gz GFQMTIOHTWYVMP-UHFFFAOYSA-N 0 0 384.233 4.629 50 0 GJAARN CC[C@@H]1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2CN(C(C)C)C1=O ZINC000035873418 207501571 /nfs/dbraw/zinc/50/15/71/207501571.db2.gz JSOWPVSTYIWRMT-SFHVURJKSA-N 0 0 386.879 4.500 50 0 GJAARN CCNC(=S)N(Cc1csc(COc2cccc(C)c2C)n1)[C@@H](C)CC ZINC000036115271 207512651 /nfs/dbraw/zinc/51/26/51/207512651.db2.gz FECQVOTTZLNNCQ-HNNXBMFYSA-N 0 0 391.606 4.834 50 0 GJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)cc2)n1 ZINC000040039501 207569620 /nfs/dbraw/zinc/56/96/20/207569620.db2.gz WVILZIYAMMRNBF-SJPCQFCGSA-N 0 0 395.528 4.579 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NC(C)C ZINC000037278689 207542342 /nfs/dbraw/zinc/54/23/42/207542342.db2.gz MDZSZQZNGWKCRG-UHFFFAOYSA-N 0 0 381.451 4.569 50 0 GJAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1 ZINC000037526963 207545644 /nfs/dbraw/zinc/54/56/44/207545644.db2.gz YDDOIYBFGCTSKI-UHFFFAOYSA-N 0 0 395.297 4.793 50 0 GJAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1Cc1c(F)cccc1F ZINC000037521738 207546114 /nfs/dbraw/zinc/54/61/14/207546114.db2.gz ZWCDWVMGWWUGOE-KRWDZBQOSA-N 0 0 392.449 4.869 50 0 GJAARN O=C(NCc1ccccc1F)c1cc2sccc2n1CCOc1ccccc1 ZINC000037541428 207546364 /nfs/dbraw/zinc/54/63/64/207546364.db2.gz SIJJUOGPDXQUBW-UHFFFAOYSA-N 0 0 394.471 4.851 50 0 GJAARN CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1C ZINC000039607149 207567539 /nfs/dbraw/zinc/56/75/39/207567539.db2.gz CHEVIOHQYBZYRU-HNNXBMFYSA-N 0 0 397.496 4.604 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3cccnc32)cc1OC ZINC000043529346 207631405 /nfs/dbraw/zinc/63/14/05/207631405.db2.gz ISCZWEMVHMQGQU-SFHVURJKSA-N 0 0 377.444 4.621 50 0 GJAARN C[C@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc2S1 ZINC000048236048 207688192 /nfs/dbraw/zinc/68/81/92/207688192.db2.gz CAEDWEWJCPEJBN-LBPRGKRZSA-N 0 0 382.407 4.554 50 0 GJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000045928620 207662076 /nfs/dbraw/zinc/66/20/76/207662076.db2.gz LLIZFDLIEQPBAP-FQEVSTJZSA-N 0 0 395.842 4.994 50 0 GJAARN COc1cccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)c1 ZINC000046022250 207667278 /nfs/dbraw/zinc/66/72/78/207667278.db2.gz ACLQJFPIYNUJFI-UHFFFAOYSA-N 0 0 399.541 4.600 50 0 GJAARN CC[C@@](C)(Nc1cccc(C(F)(F)F)c1)c1nnnn1-c1ccccc1C ZINC000046078018 207672833 /nfs/dbraw/zinc/67/28/33/207672833.db2.gz FXOGKXCDQLMDPB-GOSISDBHSA-N 0 0 375.398 4.727 50 0 GJAARN O=C(CSCc1ccncc1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000048268405 207691976 /nfs/dbraw/zinc/69/19/76/207691976.db2.gz POXRUUBUWOUSBQ-UHFFFAOYSA-N 0 0 382.460 4.672 50 0 GJAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H](C)Oc1ccccc1 ZINC000049985297 207712881 /nfs/dbraw/zinc/71/28/81/207712881.db2.gz HYXDYMWBRWUIPD-HNNXBMFYSA-N 0 0 399.878 4.595 50 0 GJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NC1CCCCCC1 ZINC000058367388 207774731 /nfs/dbraw/zinc/77/47/31/207774731.db2.gz XFYUMHNBCREKLE-UHFFFAOYSA-N 0 0 393.453 4.889 50 0 GJAARN O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2nccc(-c3ccccc3)c21 ZINC000057531083 207755921 /nfs/dbraw/zinc/75/59/21/207755921.db2.gz SBDPHWDQUYGVON-UHFFFAOYSA-N 0 0 382.345 4.748 50 0 GJAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCCC(C)C)cc3)ncn2)c1 ZINC000064568581 207803127 /nfs/dbraw/zinc/80/31/27/207803127.db2.gz GTSLISODFYCQHK-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)NCc3cccs3)c2)cs1 ZINC000064669984 207808161 /nfs/dbraw/zinc/80/81/61/207808161.db2.gz VHVOGMWKUXIULA-UHFFFAOYSA-N 0 0 392.571 4.782 50 0 GJAARN CC(C)(C)c1ncc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cn1 ZINC000064328235 207798957 /nfs/dbraw/zinc/79/89/57/207798957.db2.gz TUMYORZHVMBKSW-UHFFFAOYSA-N 0 0 383.455 4.637 50 0 GJAARN Cc1ccccc1Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O ZINC000065134412 207836509 /nfs/dbraw/zinc/83/65/09/207836509.db2.gz NKOUSXBIEZFLAP-UHFFFAOYSA-N 0 0 377.831 4.575 50 0 GJAARN O=C(Cc1cccs1)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1 ZINC000065195972 207841944 /nfs/dbraw/zinc/84/19/44/207841944.db2.gz WUJYKTUEZYOEOD-UHFFFAOYSA-N 0 0 399.472 4.525 50 0 GJAARN COc1cc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc(OC)c1 ZINC000065184764 207842517 /nfs/dbraw/zinc/84/25/17/207842517.db2.gz UKZJAIWQDQZTAX-UHFFFAOYSA-N 0 0 387.436 4.604 50 0 GJAARN Cc1ccc2c(ncc(-c3nc(C4CC4)no3)c2NCc2cc(F)cc(F)c2)n1 ZINC000065250664 207852118 /nfs/dbraw/zinc/85/21/18/207852118.db2.gz RDCAADWFQRGHBO-UHFFFAOYSA-N 0 0 393.397 4.756 50 0 GJAARN COCCCNc1c(-c2ccc(O)c(OC)c2)nc2sc3cc(C)ccc3n21 ZINC000065319299 207863379 /nfs/dbraw/zinc/86/33/79/207863379.db2.gz UENDOYFSCUAMDE-UHFFFAOYSA-N 0 0 397.500 4.687 50 0 GJAARN CCOCCCn1c(=O)c2ccccc2nc1SCc1ccccc1Cl ZINC000067259177 207884532 /nfs/dbraw/zinc/88/45/32/207884532.db2.gz SUVUTHMVHFXFMZ-UHFFFAOYSA-N 0 0 388.920 4.769 50 0 GJAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1F ZINC000067296074 207886065 /nfs/dbraw/zinc/88/60/65/207886065.db2.gz ZSRPROWGVDPZAA-NKFKGCMQSA-N 0 0 383.379 4.652 50 0 GJAARN CCOCCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000067319178 207889360 /nfs/dbraw/zinc/88/93/60/207889360.db2.gz SIWNCOQSGIEAHU-DEOSSOPVSA-N 0 0 389.495 4.930 50 0 GJAARN Cc1noc(C)c1C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071551769 207940587 /nfs/dbraw/zinc/94/05/87/207940587.db2.gz GMIBKZSNOLHVQW-OAHLLOKOSA-N 0 0 380.410 4.795 50 0 GJAARN O=C(c1ccc(CO)cc1)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071639550 207944602 /nfs/dbraw/zinc/94/46/02/207944602.db2.gz KMOSUCPRKGRHLT-KRWDZBQOSA-N 0 0 391.433 4.683 50 0 GJAARN COc1c(F)cccc1C(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000071746224 207947486 /nfs/dbraw/zinc/94/74/86/207947486.db2.gz HMJMGDPLMDVACZ-HNNXBMFYSA-N 0 0 377.406 4.598 50 0 GJAARN Cn1ccnc1Sc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000070006784 207930322 /nfs/dbraw/zinc/93/03/22/207930322.db2.gz UTSRQYOMJIZPHA-UHFFFAOYSA-N 0 0 389.480 4.742 50 0 GJAARN O=C(Nc1ccc2[nH]c(-c3cccnc3)nc2c1)c1ccccc1Br ZINC000071283819 207932921 /nfs/dbraw/zinc/93/29/21/207932921.db2.gz VJQQRAULUQXODD-UHFFFAOYSA-N 0 0 393.244 4.640 50 0 GJAARN COc1ccc(NC2=NC(=O)S/C2=C\c2c(Cl)nc3sccn23)cc1 ZINC000072401820 208014721 /nfs/dbraw/zinc/01/47/21/208014721.db2.gz RLGDQVZPEOLZRJ-WQLSENKSSA-N 0 0 390.877 4.776 50 0 GJAARN Cc1cccnc1NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000072404112 208017323 /nfs/dbraw/zinc/01/73/23/208017323.db2.gz GCERTAMQBHMFSB-OAHLLOKOSA-N 0 0 379.287 4.847 50 0 GJAARN COc1cccc(NC(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1 ZINC000077197403 208036488 /nfs/dbraw/zinc/03/64/88/208036488.db2.gz UNLXMBWDVOYMJN-UHFFFAOYSA-N 0 0 392.459 4.726 50 0 GJAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1Cl ZINC000075104786 208036498 /nfs/dbraw/zinc/03/64/98/208036498.db2.gz JTPDSGPDGZPFFF-KSSFIOAISA-N 0 0 377.916 4.522 50 0 GJAARN Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c(Br)c1 ZINC000085651551 208102569 /nfs/dbraw/zinc/10/25/69/208102569.db2.gz MVNUNPWFCPHICZ-UHFFFAOYSA-N 0 0 382.261 4.775 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)Oc3ccccc3)cc2)cc1 ZINC000089634984 208108169 /nfs/dbraw/zinc/10/81/69/208108169.db2.gz MQSUAMPUKQRBIQ-UHFFFAOYSA-N 0 0 390.439 4.648 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](Cc1c[nH]cn1)Cc1ccccc1 ZINC000089568193 208108178 /nfs/dbraw/zinc/10/81/78/208108178.db2.gz GKFNDDAEHVLHBE-KRWDZBQOSA-N 0 0 393.874 4.702 50 0 GJAARN O=C(C[C@@H]1OCCc2ccsc21)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000089779638 208109174 /nfs/dbraw/zinc/10/91/74/208109174.db2.gz ACJLWNABMGWVHC-IBGZPJMESA-N 0 0 393.512 4.591 50 0 GJAARN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1 ZINC000089873310 208111263 /nfs/dbraw/zinc/11/12/63/208111263.db2.gz VAKGWBAQOATORA-UHFFFAOYSA-N 0 0 393.805 4.635 50 0 GJAARN COc1ccc2[nH]cc(C3=CCN(Cc4csc([C@H](C)OC)n4)CC3)c2c1 ZINC000089913568 208112044 /nfs/dbraw/zinc/11/20/44/208112044.db2.gz MCFVFHCHTSSZJQ-AWEZNQCLSA-N 0 0 383.517 4.630 50 0 GJAARN CSc1ccccc1C(=O)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613805 533030961 /nfs/dbraw/zinc/03/09/61/533030961.db2.gz XNUWISBSLTUNRZ-MRXNPFEDSA-N 0 0 382.312 4.929 50 0 GJAARN O=C(c1cccc(Cn2cccn2)c1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000091997770 208145012 /nfs/dbraw/zinc/14/50/12/208145012.db2.gz CNJBUPJADDQAGC-JOCHJYFZSA-N 0 0 377.463 4.828 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000095348838 208154893 /nfs/dbraw/zinc/15/48/93/208154893.db2.gz VZSKLSMCSXEIBK-UHFFFAOYSA-N 0 0 395.462 4.619 50 0 GJAARN O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000095251924 208156057 /nfs/dbraw/zinc/15/60/57/208156057.db2.gz CEDCQJIFBBYFNV-BMGDILEWSA-N 0 0 384.273 4.522 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCSC[C@@H]1c1cccs1 ZINC000095403781 208180173 /nfs/dbraw/zinc/18/01/73/208180173.db2.gz KPTXOEYJFASKPU-QGZVFWFLSA-N 0 0 398.557 4.873 50 0 GJAARN Cc1ccc(CC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1O ZINC000095459365 208186982 /nfs/dbraw/zinc/18/69/82/208186982.db2.gz HKBMVSRIQRJSDF-UHFFFAOYSA-N 0 0 391.515 4.505 50 0 GJAARN CC[C@H](Nc1nc(Cl)c(C(=O)OC)s1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460561 208187068 /nfs/dbraw/zinc/18/70/68/208187068.db2.gz UPMAYGPLEOAWJH-NSHDSACASA-N 0 0 376.869 4.536 50 0 GJAARN COc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)c3ccccc3)cc2)cc1 ZINC000095471648 208189980 /nfs/dbraw/zinc/18/99/80/208189980.db2.gz FUTFAVKFXQFKHW-SFHVURJKSA-N 0 0 390.483 4.660 50 0 GJAARN O=C1CS[C@@H](c2ccc(F)c(F)c2F)c2cnn(Cc3ccccc3)c2N1 ZINC000095478151 208193134 /nfs/dbraw/zinc/19/31/34/208193134.db2.gz LBKIFCCZQPFTHG-SFHVURJKSA-N 0 0 389.402 4.773 50 0 GJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1C(=O)c1cccs1 ZINC000095947439 208241316 /nfs/dbraw/zinc/24/13/16/208241316.db2.gz ZEHBMUSFXBFCHV-UHFFFAOYSA-N 0 0 391.477 4.750 50 0 GJAARN Cc1noc2nc(C(C)C)cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)c12 ZINC000095947856 208242454 /nfs/dbraw/zinc/24/24/54/208242454.db2.gz OKUBCBNSCASNDW-UHFFFAOYSA-N 0 0 391.393 4.946 50 0 GJAARN CC(C)c1ocnc1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 ZINC000095956531 208244006 /nfs/dbraw/zinc/24/40/06/208244006.db2.gz VSSFYTCPOKYRQG-UHFFFAOYSA-N 0 0 393.472 4.574 50 0 GJAARN O=C(Nc1cccc(OCC(F)F)n1)c1cnc2ccccc2c1C(F)(F)F ZINC000095979017 208247908 /nfs/dbraw/zinc/24/79/08/208247908.db2.gz MDJMENCCXWVWQV-UHFFFAOYSA-N 0 0 397.303 4.545 50 0 GJAARN CCOc1ccccc1-c1csc(NC(=O)c2cccc(C3OCCO3)c2)n1 ZINC000095978340 208248418 /nfs/dbraw/zinc/24/84/18/208248418.db2.gz IFTWBUQEDUJTCP-UHFFFAOYSA-N 0 0 396.468 4.507 50 0 GJAARN CCOc1ccc(-c2csc(NC(=O)c3cccc(C4OCCO4)c3)n2)cc1 ZINC000095978332 208249538 /nfs/dbraw/zinc/24/95/38/208249538.db2.gz CGFOVYSOCQZJIA-UHFFFAOYSA-N 0 0 396.468 4.507 50 0 GJAARN CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)c1 ZINC000096006820 208251507 /nfs/dbraw/zinc/25/15/07/208251507.db2.gz ZDABIBOVMRZBKN-JKSUJKDBSA-N 0 0 378.538 4.693 50 0 GJAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1Cl ZINC000096008702 208252793 /nfs/dbraw/zinc/25/27/93/208252793.db2.gz 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CCOC(=O)/C=C\c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000096926095 208329470 /nfs/dbraw/zinc/32/94/70/208329470.db2.gz WRYHGWZMDJQLFW-RAXLEYEMSA-N 0 0 375.424 4.677 50 0 GJAARN COc1cccc2cc(/C=C\C(=O)Nc3nc(-c4ccccn4)cs3)oc21 ZINC000096936643 208330664 /nfs/dbraw/zinc/33/06/64/208330664.db2.gz ZXZSSXXNHBMYRL-HJWRWDBZSA-N 0 0 377.425 4.612 50 0 GJAARN COc1cc([C@H](C)NC(=O)/C=C\c2nc3ccccc3o2)ccc1OCC(C)C ZINC000097053519 208336246 /nfs/dbraw/zinc/33/62/46/208336246.db2.gz AIVWRPUIFSXQCR-JNSOCZORSA-N 0 0 394.471 4.762 50 0 GJAARN CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(C)c1 ZINC000097230306 208343828 /nfs/dbraw/zinc/34/38/28/208343828.db2.gz HWIQVERVUVLKRV-UHFFFAOYSA-N 0 0 377.238 4.578 50 0 GJAARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)/C=C\c1cccs1 ZINC000096545289 208317886 /nfs/dbraw/zinc/31/78/86/208317886.db2.gz MVCORQCLRSZBMM-KTKRTIGZSA-N 0 0 387.892 4.902 50 0 GJAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000096569820 208318568 /nfs/dbraw/zinc/31/85/68/208318568.db2.gz 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208359367 /nfs/dbraw/zinc/35/93/67/208359367.db2.gz GJFZEFHWEPVXQP-UHFFFAOYSA-N 0 0 376.909 4.526 50 0 GJAARN Cc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072824 208367229 /nfs/dbraw/zinc/36/72/29/208367229.db2.gz CEJOPALALAUMRR-UHFFFAOYSA-N 0 0 394.212 4.577 50 0 GJAARN COc1cc2nc(/C=C\c3cc(Cl)c(O)c(OC)c3)sc2cc1OC ZINC000098055008 208368638 /nfs/dbraw/zinc/36/86/38/208368638.db2.gz GWBXFEAUXDQRSR-PLNGDYQASA-N 0 0 377.849 4.852 50 0 GJAARN O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1cccs1 ZINC000101094854 208386323 /nfs/dbraw/zinc/38/63/23/208386323.db2.gz UZMUNSAZIMUJNA-UHFFFAOYSA-N 0 0 376.437 4.719 50 0 GJAARN Clc1ccc(C2=Nc3nnnn3[C@H](c3cccc(Cl)c3Cl)C2)cc1 ZINC000101148375 208388553 /nfs/dbraw/zinc/38/85/53/208388553.db2.gz DXGVWNBOSRMDFL-AWEZNQCLSA-N 0 0 378.650 4.689 50 0 GJAARN COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000101632074 208395973 /nfs/dbraw/zinc/39/59/73/208395973.db2.gz LSGKSDVEUIUGAH-CQSZACIVSA-N 0 0 386.860 4.576 50 0 GJAARN CCN(CC)c1c2cc(C)ccc2ncc1S(=O)(=O)c1ccc(C)c(C)c1 ZINC000049421517 208451793 /nfs/dbraw/zinc/45/17/93/208451793.db2.gz YNTBZFWTEHBHJV-UHFFFAOYSA-N 0 0 382.529 4.839 50 0 GJAARN O=C(Nc1cccc(Br)c1)Nc1ccc(F)cc1Br ZINC000051354358 208476784 /nfs/dbraw/zinc/47/67/84/208476784.db2.gz CYEZMDNUCKXZFY-UHFFFAOYSA-N 0 0 388.034 4.995 50 0 GJAARN COc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)C ZINC000000672684 208478334 /nfs/dbraw/zinc/47/83/34/208478334.db2.gz OGEFQGQBDUYZOE-NDENLUEZSA-N 0 0 387.435 4.980 50 0 GJAARN CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000958135 208488891 /nfs/dbraw/zinc/48/88/91/208488891.db2.gz AFHFRFCHSQNPIB-CSKARUKUSA-N 0 0 378.255 4.751 50 0 GJAARN C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 ZINC000003220025 208508496 /nfs/dbraw/zinc/50/84/96/208508496.db2.gz XOZJTRHPZIOMBG-INIZCTEOSA-N 0 0 385.891 4.572 50 0 GJAARN CCN1c2ccc(NC(=O)c3ccccc3Br)c3cccc(c23)C1=O ZINC000001510420 208498919 /nfs/dbraw/zinc/49/89/19/208498919.db2.gz OJIKETXKPKAEDQ-UHFFFAOYSA-N 0 0 395.256 4.835 50 0 GJAARN Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000004036406 208534649 /nfs/dbraw/zinc/53/46/49/208534649.db2.gz YOIBTGSOHPUNDR-UHFFFAOYSA-N 0 0 399.472 4.607 50 0 GJAARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1c(F)cccc1F ZINC000004305468 208541561 /nfs/dbraw/zinc/54/15/61/208541561.db2.gz OAGSYBVKQKZWJH-SFHVURJKSA-N 0 0 384.451 4.560 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000004602271 208545917 /nfs/dbraw/zinc/54/59/17/208545917.db2.gz HHLWYPFREURVHQ-FZKQIMNGSA-N 0 0 397.475 4.550 50 0 GJAARN COc1ccc2c(c1)nc(SCC(=O)NCC(C)C)cc2-c1ccccc1 ZINC000006589451 208680983 /nfs/dbraw/zinc/68/09/83/208680983.db2.gz CIGQVSGBMONCRW-UHFFFAOYSA-N 0 0 380.513 4.775 50 0 GJAARN O=C(Cc1ccccc1F)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000005780863 208672574 /nfs/dbraw/zinc/67/25/74/208672574.db2.gz AXODSLZBESPXLP-UHFFFAOYSA-N 0 0 387.410 4.943 50 0 GJAARN O=C(Nc1ccc(F)cc1)[C@H](OC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000007032048 208686941 /nfs/dbraw/zinc/68/69/41/208686941.db2.gz IRGFANDNNLHHRE-LJQANCHMSA-N 0 0 385.341 4.641 50 0 GJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000007990459 208695729 /nfs/dbraw/zinc/69/57/29/208695729.db2.gz WDZVTVFNBRIMKU-UHFFFAOYSA-N 0 0 376.869 4.896 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000002708140 208714517 /nfs/dbraw/zinc/71/45/17/208714517.db2.gz BOIKPIAMYZMNJU-JTQLQIEISA-N 0 0 377.531 4.980 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000002708137 208715162 /nfs/dbraw/zinc/71/51/62/208715162.db2.gz BOIKPIAMYZMNJU-SNVBAGLBSA-N 0 0 377.531 4.980 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1 ZINC000001518275 208709834 /nfs/dbraw/zinc/70/98/34/208709834.db2.gz XBZPMJCPZXAYQP-UHFFFAOYSA-N 0 0 395.303 4.895 50 0 GJAARN COc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)nc3C)sc2c1 ZINC000022024737 208830866 /nfs/dbraw/zinc/83/08/66/208830866.db2.gz PBAFUVBXHHZKTI-UHFFFAOYSA-N 0 0 375.453 4.928 50 0 GJAARN O=C(CSc1nc2ccccc2o1)N1CCS[C@H](c2cccs2)CC1 ZINC000219463192 208847415 /nfs/dbraw/zinc/84/74/15/208847415.db2.gz XQFNGEVHXPTSKM-INIZCTEOSA-N 0 0 390.555 4.688 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(Br)cc2)c(Br)c1 ZINC000000753374 220457710 /nfs/dbraw/zinc/45/77/10/220457710.db2.gz UZAPMZSYMPSVAR-UHFFFAOYSA-N 0 0 399.082 4.538 50 0 GJAARN Cc1cccc(O[C@H](NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000000825890 220460124 /nfs/dbraw/zinc/46/01/24/220460124.db2.gz GWEGVFYTZFVCMN-HNNXBMFYSA-N 0 0 388.678 4.997 50 0 GJAARN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)N1CCCC1 ZINC000000933096 220468422 /nfs/dbraw/zinc/46/84/22/220468422.db2.gz KRCGAELPSHICEX-UHFFFAOYSA-N 0 0 389.933 4.726 50 0 GJAARN CC(=O)N(c1ccc2ccccc2c1)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O ZINC000000998207 220471736 /nfs/dbraw/zinc/47/17/36/220471736.db2.gz RGBRHXYXKLYWIF-OAQYLSRUSA-N 0 0 390.464 4.727 50 0 GJAARN C[C@H](Sc1nncn1[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000058018152 208853884 /nfs/dbraw/zinc/85/38/84/208853884.db2.gz YSBQPPUODALHSO-KBPBESRZSA-N 0 0 386.908 4.660 50 0 GJAARN Cc1cc2sc(N(CCn3cccn3)C(=O)c3cccs3)nc2c(C)c1 ZINC000023144822 208864132 /nfs/dbraw/zinc/86/41/32/208864132.db2.gz LBUQTIIHHZCCJO-UHFFFAOYSA-N 0 0 382.514 4.518 50 0 GJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)/C=C\c3cccs3)C2)n1 ZINC000220793022 208864167 /nfs/dbraw/zinc/86/41/67/208864167.db2.gz UPAQEIBZAHFVSS-QXPKXGMISA-N 0 0 393.512 4.601 50 0 GJAARN CSc1ncc(Cl)c(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)n1 ZINC000022991760 208858470 /nfs/dbraw/zinc/85/84/70/208858470.db2.gz UNQYSHAPAIDRNG-UHFFFAOYSA-N 0 0 389.952 4.645 50 0 GJAARN Cc1cc(C(=O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)c(C)[nH]1 ZINC000025148630 208877124 /nfs/dbraw/zinc/87/71/24/208877124.db2.gz NBDCBRJLLWALHH-UHFFFAOYSA-N 0 0 391.496 4.570 50 0 GJAARN Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(F)cc1 ZINC000001405159 220494453 /nfs/dbraw/zinc/49/44/53/220494453.db2.gz HGLORBNGWIATEA-UHFFFAOYSA-N 0 0 375.802 4.716 50 0 GJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc(Cl)cc1)CCC2 ZINC000001927545 220500990 /nfs/dbraw/zinc/50/09/90/220500990.db2.gz VSYMMXQGDLEYEC-UHFFFAOYSA-N 0 0 395.933 4.798 50 0 GJAARN CCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c(C)nn1-c1ccc(C)c(C)c1 ZINC000002204997 220509522 /nfs/dbraw/zinc/50/95/22/220509522.db2.gz PXXMTRJGWMJSQX-UHFFFAOYSA-N 0 0 389.499 4.872 50 0 GJAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)Nc1cccc(Cl)c1 ZINC000002266202 220515910 /nfs/dbraw/zinc/51/59/10/220515910.db2.gz RWNWGBMNYZIGOF-UHFFFAOYSA-N 0 0 387.823 4.651 50 0 GJAARN COc1ccc(C(C)=O)cc1CSCCC(=O)Nc1ccccc1Cl ZINC000027184423 208916774 /nfs/dbraw/zinc/91/67/74/208916774.db2.gz NFBXAXRUXMTYLP-UHFFFAOYSA-N 0 0 377.893 4.813 50 0 GJAARN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)Nc1ccccc1OC ZINC000002289737 220520294 /nfs/dbraw/zinc/52/02/94/220520294.db2.gz NXOLKCHHWLXPIQ-UHFFFAOYSA-N 0 0 387.823 4.651 50 0 GJAARN COc1ccc(C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 ZINC000002367541 220528230 /nfs/dbraw/zinc/52/82/30/220528230.db2.gz BTUMILXXNREDNA-UHFFFAOYSA-N 0 0 384.815 4.553 50 0 GJAARN CCSc1nc2sc3c(c2c(NC[C@@H]2CCCO2)n1)C[C@@](C)(CC)OC3 ZINC000002410991 220531118 /nfs/dbraw/zinc/53/11/18/220531118.db2.gz MXLBJTPQFOXVDV-HXPMCKFVSA-N 0 0 393.578 4.636 50 0 GJAARN COc1ccccc1-c1nn2c(nnc2-c2ccc(Cl)cc2Cl)s1 ZINC000002425122 220533920 /nfs/dbraw/zinc/53/39/20/220533920.db2.gz YZDBOKNXMQGGNT-UHFFFAOYSA-N 0 0 377.256 4.835 50 0 GJAARN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C)cc1 ZINC000002446303 220535662 /nfs/dbraw/zinc/53/56/62/220535662.db2.gz GFZLMDKBIYMXRJ-UHFFFAOYSA-N 0 0 380.517 4.621 50 0 GJAARN Cc1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)n(-c2ccccc2)n1 ZINC000002465900 220536997 /nfs/dbraw/zinc/53/69/97/220536997.db2.gz ARHUUGNIHSKENJ-HNNXBMFYSA-N 0 0 378.476 4.572 50 0 GJAARN CCc1ccc(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)cc1 ZINC000002636483 220545476 /nfs/dbraw/zinc/54/54/76/220545476.db2.gz OBBYBOAUYFKXJJ-UHFFFAOYSA-N 0 0 378.403 4.566 50 0 GJAARN Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc3ncsc3c2)c(C)c1 ZINC000002656471 220549090 /nfs/dbraw/zinc/54/90/90/220549090.db2.gz 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208992566 /nfs/dbraw/zinc/99/25/66/208992566.db2.gz VJNKOWWZAFKNLP-FNORWQNLSA-N 0 0 399.800 4.649 50 0 GJAARN C[C@@H](OCCCNC(=O)NCCCO[C@H](C)c1ccccc1)c1ccccc1 ZINC000032907656 208993019 /nfs/dbraw/zinc/99/30/19/208993019.db2.gz ZNOXLOLWWIDKFK-WOJBJXKFSA-N 0 0 384.520 4.621 50 0 GJAARN COc1cccc2cc(-c3cn(-c4ccc(Cl)cc4)c(=S)[nH]3)c(=O)oc21 ZINC000002957857 220587829 /nfs/dbraw/zinc/58/78/29/220587829.db2.gz MGNHJPMABKIZIB-UHFFFAOYSA-N 0 0 384.844 4.970 50 0 GJAARN CCc1ccc(-n2c(C)nc3cc(C(=O)NCCc4ccccc4)ccc32)cc1 ZINC000003025446 220598120 /nfs/dbraw/zinc/59/81/20/220598120.db2.gz WFJFANWVIGKSGD-UHFFFAOYSA-N 0 0 383.495 4.869 50 0 GJAARN CCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1ccc(C)cc1)c2C ZINC000003032943 220598491 /nfs/dbraw/zinc/59/84/91/220598491.db2.gz IHKBYJDMRPSCGT-UHFFFAOYSA-N 0 0 378.520 4.555 50 0 GJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2Cl)n1)CCC3 ZINC000003267199 220617684 /nfs/dbraw/zinc/61/76/84/220617684.db2.gz YWCMERVQQABWEA-UHFFFAOYSA-N 0 0 389.933 4.873 50 0 GJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1c(F)cccc1F ZINC000003234526 220612553 /nfs/dbraw/zinc/61/25/53/220612553.db2.gz IBRJNYAWBMBGSL-UHFFFAOYSA-N 0 0 382.366 4.504 50 0 GJAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1Br ZINC000003237483 220613571 /nfs/dbraw/zinc/61/35/71/220613571.db2.gz KLXLEDQVTJFFDF-UHFFFAOYSA-N 0 0 387.151 4.508 50 0 GJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1OC(F)F ZINC000003291655 220623385 /nfs/dbraw/zinc/62/33/85/220623385.db2.gz NXZBCKZLOWMFAB-QPEQYQDCSA-N 0 0 384.165 4.939 50 0 GJAARN COc1cccc(CSc2nnc(C(F)(F)F)n2Cc2ccc(F)cc2)c1 ZINC000004107084 220682905 /nfs/dbraw/zinc/68/29/05/220682905.db2.gz BHOCEKUVHFECJN-UHFFFAOYSA-N 0 0 397.397 4.785 50 0 GJAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004162621 220686574 /nfs/dbraw/zinc/68/65/74/220686574.db2.gz JSMPKYFRKBAUBY-UHFFFAOYSA-N 0 0 377.318 4.881 50 0 GJAARN Cc1cccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)c1 ZINC000004162785 220688165 /nfs/dbraw/zinc/68/81/65/220688165.db2.gz JOMYWSFISDZWFM-FQEVSTJZSA-N 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/nfs/dbraw/zinc/70/63/45/220706345.db2.gz CKOFKLFSGIPQRT-UHFFFAOYSA-N 0 0 377.263 4.628 50 0 GJAARN C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc2ccccc21 ZINC000004326754 220706862 /nfs/dbraw/zinc/70/68/62/220706862.db2.gz HIXLDMYAZPXFOG-CYBMUJFWSA-N 0 0 376.437 4.634 50 0 GJAARN CC(C)(C)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000004329357 220707081 /nfs/dbraw/zinc/70/70/81/220707081.db2.gz GBASZLRBCIMYRU-UHFFFAOYSA-N 0 0 392.956 4.720 50 0 GJAARN FC(F)(F)c1c2c(nc3cc(-c4ccc(Br)cc4)nn31)CCC2 ZINC000004677134 220745417 /nfs/dbraw/zinc/74/54/17/220745417.db2.gz LJQTWAJJOLZWQH-UHFFFAOYSA-N 0 0 382.183 4.666 50 0 GJAARN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000004700281 220749536 /nfs/dbraw/zinc/74/95/36/220749536.db2.gz CZIBUGFEGSKNGQ-LJQANCHMSA-N 0 0 394.515 4.590 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)cc1 ZINC000004660982 220742020 /nfs/dbraw/zinc/74/20/20/220742020.db2.gz RUMXJKHJZMTUAL-UHFFFAOYSA-N 0 0 387.501 4.845 50 0 GJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N3CCCC3)c(=O)oc12 ZINC000004743916 220760132 /nfs/dbraw/zinc/76/01/32/220760132.db2.gz VBIYTIKNWVJBPU-UHFFFAOYSA-N 0 0 381.472 4.618 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1C(F)(F)F ZINC000004727596 220754844 /nfs/dbraw/zinc/75/48/44/220754844.db2.gz WGXKXIFEDYFDBJ-UHFFFAOYSA-N 0 0 376.378 4.584 50 0 GJAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccccc2F)cc1 ZINC000004791020 220765832 /nfs/dbraw/zinc/76/58/32/220765832.db2.gz HLADZDPTQODPTR-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004815073 220768833 /nfs/dbraw/zinc/76/88/33/220768833.db2.gz GJZNARPKLDPRHB-RTBURBONSA-N 0 0 380.879 4.655 50 0 GJAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccccc1 ZINC000004816738 220769692 /nfs/dbraw/zinc/76/96/92/220769692.db2.gz SUFCZIBXMCTZON-NHCUHLMSSA-N 0 0 390.487 4.544 50 0 GJAARN COc1ccc(Cl)cc1N[C@@H]1c2ccccc2C(=O)N1c1cc(C)ccn1 ZINC000004900549 220785941 /nfs/dbraw/zinc/78/59/41/220785941.db2.gz UJNYAPGQSHPMMZ-FQEVSTJZSA-N 0 0 379.847 4.823 50 0 GJAARN CCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)CC(C)C ZINC000004880729 220782459 /nfs/dbraw/zinc/78/24/59/220782459.db2.gz OPDQCKXYFLEPID-UHFFFAOYSA-N 0 0 398.547 4.792 50 0 GJAARN CC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000004960630 220800350 /nfs/dbraw/zinc/80/03/50/220800350.db2.gz QFZNHOPXAKXHPF-HXUWFJFHSA-N 0 0 377.831 4.709 50 0 GJAARN COc1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1Cl ZINC000004916693 220790833 /nfs/dbraw/zinc/79/08/33/220790833.db2.gz CYQPRFTXUPAIHS-FQEVSTJZSA-N 0 0 379.847 4.823 50 0 GJAARN O=C(NC(NC(=O)c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000004977864 220805302 /nfs/dbraw/zinc/80/53/02/220805302.db2.gz LVTAOSXMCDNGTR-UHFFFAOYSA-N 0 0 399.277 4.852 50 0 GJAARN COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccco3)C2)c1 ZINC000005069491 220824374 /nfs/dbraw/zinc/82/43/74/220824374.db2.gz SJMORQDBPBHLPN-LJQANCHMSA-N 0 0 380.831 4.933 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000005152770 220836021 /nfs/dbraw/zinc/83/60/21/220836021.db2.gz LUCZWDIFPNDKDR-QHCPKHFHSA-N 0 0 382.463 4.967 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccccc1C(F)(F)F ZINC000005099264 220830053 /nfs/dbraw/zinc/83/00/53/220830053.db2.gz VQFPQCLTNRWMKK-UHFFFAOYSA-N 0 0 388.389 4.647 50 0 GJAARN O=c1nc(SCc2cccc3ccccc32)c2c(n1Cc1ccccn1)CCC2 ZINC000005264387 220852498 /nfs/dbraw/zinc/85/24/98/220852498.db2.gz KDPQZKDPTJLAEW-UHFFFAOYSA-N 0 0 399.519 4.621 50 0 GJAARN Cc1ccc(OCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 ZINC000005235881 220847562 /nfs/dbraw/zinc/84/75/62/220847562.db2.gz AOYRBMOQEOJNKK-UHFFFAOYSA-N 0 0 393.531 4.519 50 0 GJAARN Cc1nn2c(-c3ccccc3NC(=O)c3ccccc3)nnc2c2ccccc12 ZINC000005321944 220857586 /nfs/dbraw/zinc/85/75/86/220857586.db2.gz YRJVGWOECDOQIS-UHFFFAOYSA-N 0 0 379.423 4.505 50 0 GJAARN O=C(NC[C@@H]1CCCO1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005487206 220875694 /nfs/dbraw/zinc/87/56/94/220875694.db2.gz 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ZINC000299793165 209091271 /nfs/dbraw/zinc/09/12/71/209091271.db2.gz JRMCOMUEJXPGOV-HNNXBMFYSA-N 0 0 376.504 4.720 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)sc2c1 ZINC000006270991 220925898 /nfs/dbraw/zinc/92/58/98/220925898.db2.gz YRNCBDLMBSLKGH-UHFFFAOYSA-N 0 0 382.363 4.846 50 0 GJAARN O=C(NCc1ccc(C(=O)c2ccco2)s1)c1csc(-c2ccccc2)n1 ZINC000096119892 209010310 /nfs/dbraw/zinc/01/03/10/209010310.db2.gz OMWAMAMFTRHWKA-UHFFFAOYSA-N 0 0 394.477 4.626 50 0 GJAARN Cc1nnc(SCc2cc(=O)oc3c(C)c(C)ccc23)n1-c1ccccc1 ZINC000006109378 220921319 /nfs/dbraw/zinc/92/13/19/220921319.db2.gz ICFCZDBULJXIPG-UHFFFAOYSA-N 0 0 377.469 4.591 50 0 GJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000248101187 209029877 /nfs/dbraw/zinc/02/98/77/209029877.db2.gz PENMLYDAGXHMAS-QPPBQGQZSA-N 0 0 386.426 4.887 50 0 GJAARN Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2ccccc2o1 ZINC000006479983 220936758 /nfs/dbraw/zinc/93/67/58/220936758.db2.gz BEZRPRKZBFFPHL-UHFFFAOYSA-N 0 0 398.875 4.613 50 0 GJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000006509359 220938919 /nfs/dbraw/zinc/93/89/19/220938919.db2.gz KHMBFIVCQVDFGL-UHFFFAOYSA-N 0 0 389.329 4.624 50 0 GJAARN COc1cccc([C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)OC)c1 ZINC000096390050 209015714 /nfs/dbraw/zinc/01/57/14/209015714.db2.gz VCCFDDCVYNVHGG-HXUWFJFHSA-N 0 0 387.907 4.664 50 0 GJAARN CC(C)CC[C@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000253536119 209044083 /nfs/dbraw/zinc/04/40/83/209044083.db2.gz CTXZLVFEGVGHRL-JTQLQIEISA-N 0 0 399.716 4.911 50 0 GJAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(C)C ZINC000252483113 209032012 /nfs/dbraw/zinc/03/20/12/209032012.db2.gz DVHOSUSBMLNBDA-HXUWFJFHSA-N 0 0 377.488 4.678 50 0 GJAARN CCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1 ZINC000006705940 220952797 /nfs/dbraw/zinc/95/27/97/220952797.db2.gz CCQVYJATZWAARJ-JOCHJYFZSA-N 0 0 397.544 4.660 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(F)cc1F ZINC000006653482 220947534 /nfs/dbraw/zinc/94/75/34/220947534.db2.gz 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221088879 /nfs/dbraw/zinc/08/88/79/221088879.db2.gz ASALWXZCECQEBU-SECBINFHSA-N 0 0 395.793 4.594 50 0 GJAARN CCN(Cc1cccc(F)c1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000009791985 221091385 /nfs/dbraw/zinc/09/13/85/221091385.db2.gz MHZIBTFYXCAIHG-OAQYLSRUSA-N 0 0 386.467 4.526 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000009752450 221091435 /nfs/dbraw/zinc/09/14/35/221091435.db2.gz LTMIOGSAQIOJMD-LJQANCHMSA-N 0 0 377.513 4.515 50 0 GJAARN CC(C)c1ccc([C@@H](NC(=O)c2ccc(NC(N)=O)cc2)c2cccs2)cc1 ZINC000009984677 221095185 /nfs/dbraw/zinc/09/51/85/221095185.db2.gz VVBIHKIGRLLAEN-HXUWFJFHSA-N 0 0 393.512 4.882 50 0 GJAARN COc1ccc(CN(C)C(=O)CSc2ccc3ccccc3c2)c(OC)c1 ZINC000010024227 221097022 /nfs/dbraw/zinc/09/70/22/221097022.db2.gz BAYPDLBJFBNKJT-UHFFFAOYSA-N 0 0 381.497 4.608 50 0 GJAARN O=C(C=Cc1ccccc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1 ZINC000011789470 221126704 /nfs/dbraw/zinc/12/67/04/221126704.db2.gz LGASKPFIYGLKTF-MZEUMTGBSA-N 0 0 393.437 4.774 50 0 GJAARN O=C(c1ccc(Br)cc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011071483 221110297 /nfs/dbraw/zinc/11/02/97/221110297.db2.gz WROXFJCILKNKBP-UHFFFAOYSA-N 0 0 381.273 4.860 50 0 GJAARN O=C(CN1CCC(CCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000011155016 221110815 /nfs/dbraw/zinc/11/08/15/221110815.db2.gz YCBJFEDDXOYJFL-UHFFFAOYSA-N 0 0 390.449 4.989 50 0 GJAARN Cc1nc(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n(CC(C)C)c1C ZINC000011306734 221114669 /nfs/dbraw/zinc/11/46/69/221114669.db2.gz REHRAUVFKHWLIM-HXUWFJFHSA-N 0 0 391.556 4.901 50 0 GJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(C)cc1F ZINC000011431993 221115514 /nfs/dbraw/zinc/11/55/14/221115514.db2.gz SOMQPWUUDZKYFF-UHFFFAOYSA-N 0 0 380.448 4.880 50 0 GJAARN C[C@@H]1Sc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2NC1=O ZINC000011452244 221115738 /nfs/dbraw/zinc/11/57/38/221115738.db2.gz MPMJJWMSNUFKST-INIZCTEOSA-N 0 0 394.540 4.604 50 0 GJAARN CCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000011466878 221116167 /nfs/dbraw/zinc/11/61/67/221116167.db2.gz 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221146444 /nfs/dbraw/zinc/14/64/44/221146444.db2.gz SJDRDOBMDXBMHU-UHFFFAOYSA-N 0 0 395.459 4.666 50 0 GJAARN Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000012062939 221146810 /nfs/dbraw/zinc/14/68/10/221146810.db2.gz KWOKLIKYYCSMHG-QGZVFWFLSA-N 0 0 393.936 4.605 50 0 GJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccsc2)CC1 ZINC000012072485 221146913 /nfs/dbraw/zinc/14/69/13/221146913.db2.gz SHVYXGVOGUERKP-UHFFFAOYSA-N 0 0 385.529 4.557 50 0 GJAARN Cc1nn(C)cc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012072911 221147170 /nfs/dbraw/zinc/14/71/70/221147170.db2.gz NPYSDQPBVSCUTI-NRFANRHFSA-N 0 0 381.907 4.563 50 0 GJAARN CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(OC)cc1)CC3=O ZINC000012296437 221176540 /nfs/dbraw/zinc/17/65/40/221176540.db2.gz ZLUDFHBHGTZXNQ-SFHVURJKSA-N 0 0 378.424 4.769 50 0 biogenic GJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cn(C2CCCCC2)nn1 ZINC000012314237 221179510 /nfs/dbraw/zinc/17/95/10/221179510.db2.gz OIXXCPJFLZUWMG-UHFFFAOYSA-N 0 0 388.515 4.735 50 0 GJAARN Cc1ccc(-n2cc(CN(C)Cc3ccno3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012315484 221181051 /nfs/dbraw/zinc/18/10/51/221181051.db2.gz DIZAMCBMUFNNHU-UHFFFAOYSA-N 0 0 376.435 4.607 50 0 GJAARN Clc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)on4)nn32)cc1 ZINC000012321453 221181122 /nfs/dbraw/zinc/18/11/22/221181122.db2.gz KMOWIVCGBLIGKB-UHFFFAOYSA-N 0 0 379.832 4.828 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000012323196 221181512 /nfs/dbraw/zinc/18/15/12/221181512.db2.gz MQNPOLWJRHRQIM-UHFFFAOYSA-N 0 0 393.245 4.578 50 0 GJAARN O=C(NCc1cccnc1)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000012319729 221181749 /nfs/dbraw/zinc/18/17/49/221181749.db2.gz VFXMNGHAJCRTSE-UHFFFAOYSA-N 0 0 397.356 4.839 50 0 GJAARN CCCCc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc1 ZINC000012166028 221161699 /nfs/dbraw/zinc/16/16/99/221161699.db2.gz JUYGXSRREGXYBI-UHFFFAOYSA-N 0 0 390.483 4.559 50 0 GJAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3)c3sc(C)nc32)o1 ZINC000012232823 221172000 /nfs/dbraw/zinc/17/20/00/221172000.db2.gz QTCOYVJTCXJLQL-UHFFFAOYSA-N 0 0 397.481 4.734 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@H](C)C2)cc1 ZINC000012437889 221193183 /nfs/dbraw/zinc/19/31/83/221193183.db2.gz UIDJGTQHBRGYBH-KRWDZBQOSA-N 0 0 380.513 4.612 50 0 GJAARN CCCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OCC)cc2)cs1 ZINC000012442143 221196047 /nfs/dbraw/zinc/19/60/47/221196047.db2.gz ODSVBNOSUBIMIF-UHFFFAOYSA-N 0 0 384.505 4.832 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000012446248 221197021 /nfs/dbraw/zinc/19/70/21/221197021.db2.gz PTMHMYXSWCRNFW-UHFFFAOYSA-N 0 0 379.460 4.864 50 0 GJAARN CN(Cc1nnc(SCc2ccccc2Cl)n1C)CC1CCCCC1 ZINC000012457478 221198086 /nfs/dbraw/zinc/19/80/86/221198086.db2.gz WPBXJHOOHWCICC-UHFFFAOYSA-N 0 0 378.973 4.773 50 0 GJAARN CCCCN(C)C(=O)c1sc2ncnc(NCCc3ccccc3)c2c1C ZINC000012511819 221199987 /nfs/dbraw/zinc/19/99/87/221199987.db2.gz BAFXWFNIGZSMGY-UHFFFAOYSA-N 0 0 382.533 4.526 50 0 GJAARN CN(Cc1nc2sc3c(c2c(N)n1)CCCC3)Cc1c(F)cccc1Cl ZINC000012511285 221200447 /nfs/dbraw/zinc/20/04/47/221200447.db2.gz KETVXEUZWZTDSH-UHFFFAOYSA-N 0 0 390.915 4.577 50 0 GJAARN Cc1cccc(C)c1Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000012528876 221202612 /nfs/dbraw/zinc/20/26/12/221202612.db2.gz MASUMCYBEVBVPM-GASCZTMLSA-N 0 0 390.578 4.780 50 0 GJAARN Cc1nc(COc2ccc([C@H]3Nc4ccccc4C(=O)N3C3CC3)cc2)cs1 ZINC000012544259 221204172 /nfs/dbraw/zinc/20/41/72/221204172.db2.gz RMVJFEKYUIOLHY-NRFANRHFSA-N 0 0 391.496 4.759 50 0 GJAARN C[C@@H]1CCc2ccccc2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000012568506 221208476 /nfs/dbraw/zinc/20/84/76/221208476.db2.gz CERCGFWPDYUOIP-GOSISDBHSA-N 0 0 394.478 4.916 50 0 GJAARN O=C(Nc1ccccc1Cl)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012580418 221209716 /nfs/dbraw/zinc/20/97/16/221209716.db2.gz CQGDGZCDHYRIPP-UHFFFAOYSA-N 0 0 377.831 4.819 50 0 GJAARN COc1ccc2cc([C@@H](C)NC(=O)c3cn(C4CCCCCC4)nn3)ccc2c1 ZINC000012373172 221186383 /nfs/dbraw/zinc/18/63/83/221186383.db2.gz MJVCGTNSXXVGSG-MRXNPFEDSA-N 0 0 392.503 4.826 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCCc1ccccc1 ZINC000012371663 221186762 /nfs/dbraw/zinc/18/67/62/221186762.db2.gz CSRTWGONOQTODF-KRWDZBQOSA-N 0 0 379.481 4.852 50 0 GJAARN COc1cc(OC)cc(-c2nnc3c4ccccc4c(-c4ccccc4)nn23)c1 ZINC000012409154 221190365 /nfs/dbraw/zinc/19/03/65/221190365.db2.gz NUHWEEOLLCQBDN-UHFFFAOYSA-N 0 0 382.423 4.629 50 0 GJAARN Cc1c(CCc2ccccn2)n2ccccc2c1C(=O)c1ccc(F)cc1F ZINC000012600439 221213533 /nfs/dbraw/zinc/21/35/33/221213533.db2.gz GRVMIUWBWPDYAO-UHFFFAOYSA-N 0 0 376.406 4.937 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1c1ccc2c(c1)OCCO2 ZINC000012631830 221216569 /nfs/dbraw/zinc/21/65/69/221216569.db2.gz JPOMWXPSHCQSKJ-NRFANRHFSA-N 0 0 394.377 4.507 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(F)cc2F)N1c1ccc2c(c1)OCCO2 ZINC000012631826 221217144 /nfs/dbraw/zinc/21/71/44/221217144.db2.gz JPOMWXPSHCQSKJ-OAQYLSRUSA-N 0 0 394.377 4.507 50 0 GJAARN CCc1ccc2c(c1)c(C)c(C(=O)N1CCN(c3cccc(Cl)c3)CC1)n2C ZINC000012652576 221217299 /nfs/dbraw/zinc/21/72/99/221217299.db2.gz LJKNOAXHOHBRQD-UHFFFAOYSA-N 0 0 395.934 4.665 50 0 GJAARN Cc1ncccc1C(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012703373 221219781 /nfs/dbraw/zinc/21/97/81/221219781.db2.gz AKVIBMRJYDVWKB-JOCHJYFZSA-N 0 0 384.479 4.792 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2cccs2)on1 ZINC000012725373 221220434 /nfs/dbraw/zinc/22/04/34/221220434.db2.gz BJWPMYBBUVLFFX-UHFFFAOYSA-N 0 0 399.859 4.950 50 0 GJAARN CSCc1c2ccccc2oc1C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000012746717 221223391 /nfs/dbraw/zinc/22/33/91/221223391.db2.gz KCBGODWPZFZISN-LJQANCHMSA-N 0 0 391.496 4.549 50 0 GJAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1C(=O)c1cccs1 ZINC000012802205 221233858 /nfs/dbraw/zinc/23/38/58/221233858.db2.gz RILDKXFRCVYZBD-UHFFFAOYSA-N 0 0 392.505 4.861 50 0 GJAARN O=S(=O)(c1ccccc1Cl)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000012799161 221233906 /nfs/dbraw/zinc/23/39/06/221233906.db2.gz MJAQQBQLRQYHFI-OAHLLOKOSA-N 0 0 392.933 4.866 50 0 GJAARN COC(=O)c1cc(NC(=O)C2c3ccccc3Oc3ccccc32)c(F)cc1F ZINC000012800267 221233941 /nfs/dbraw/zinc/23/39/41/221233941.db2.gz DFWAVPCUYSKLJQ-UHFFFAOYSA-N 0 0 395.361 4.628 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000012800268 221234034 /nfs/dbraw/zinc/23/40/34/221234034.db2.gz YICSWXDQWJJOMD-UHFFFAOYSA-N 0 0 387.405 4.780 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000012753035 221225551 /nfs/dbraw/zinc/22/55/51/221225551.db2.gz YROXSKBDESQDTK-HXUWFJFHSA-N 0 0 391.858 4.791 50 0 GJAARN CCCOc1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c21 ZINC000012754007 221225674 /nfs/dbraw/zinc/22/56/74/221225674.db2.gz PEWCQZHDWPSSBA-UHFFFAOYSA-N 0 0 377.400 4.832 50 0 GJAARN O=C(Nc1cc(Cl)ccc1F)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012763307 221227693 /nfs/dbraw/zinc/22/76/93/221227693.db2.gz VWOCSABDSJUTSV-UHFFFAOYSA-N 0 0 399.853 4.558 50 0 GJAARN Cc1cc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCO3)c(C)n1Cc1ccco1 ZINC000012762348 221227738 /nfs/dbraw/zinc/22/77/38/221227738.db2.gz OUVMSPQSLGYEQN-AATRIKPKSA-N 0 0 398.846 4.780 50 0 GJAARN COc1ccc([C@@H](CNC(=O)CCc2ccco2)c2c[nH]c3ccccc32)cc1 ZINC000012771537 221228739 /nfs/dbraw/zinc/22/87/39/221228739.db2.gz WOTARLNWQDQESA-OAQYLSRUSA-N 0 0 388.467 4.650 50 0 GJAARN CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1 ZINC000012770033 221229158 /nfs/dbraw/zinc/22/91/58/221229158.db2.gz GDDTUPDHKIDGGP-UHFFFAOYSA-N 0 0 386.448 4.633 50 0 GJAARN O=C(NCCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012772183 221229255 /nfs/dbraw/zinc/22/92/55/221229255.db2.gz PSLUEBCKBYDGKG-MQVJKMGUSA-N 0 0 381.994 4.611 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1OC(F)F ZINC000012774445 221230215 /nfs/dbraw/zinc/23/02/15/221230215.db2.gz KRKMPDRRICGRAO-UHFFFAOYSA-N 0 0 397.303 4.745 50 0 GJAARN CC(=O)N1C[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)Oc2ccccc21 ZINC000012789249 221231426 /nfs/dbraw/zinc/23/14/26/221231426.db2.gz RNSUKDODLLEZTE-OAQYLSRUSA-N 0 0 380.488 4.686 50 0 GJAARN CCCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1cccc(C)c1 ZINC000012793551 221232741 /nfs/dbraw/zinc/23/27/41/221232741.db2.gz HOIDQGYRBBBZDK-UHFFFAOYSA-N 0 0 398.507 4.924 50 0 GJAARN COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C ZINC000012805059 221234867 /nfs/dbraw/zinc/23/48/67/221234867.db2.gz KPLMTMUJBFEIKK-XLIONFOSSA-N 0 0 398.503 4.674 50 0 GJAARN C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000012818406 221235664 /nfs/dbraw/zinc/23/56/64/221235664.db2.gz KHDYGJPZOLRSLZ-ADLMAVQZSA-N 0 0 381.278 4.803 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1c(C)nc(-c2cccs2)nc1SC ZINC000012818686 221235869 /nfs/dbraw/zinc/23/58/69/221235869.db2.gz PQCSCPKSDMLTCR-UHFFFAOYSA-N 0 0 385.514 4.805 50 0 GJAARN COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccccc3C)cs2)cc1OC ZINC000012816601 221235914 /nfs/dbraw/zinc/23/59/14/221235914.db2.gz UMXMRRBKMIWSGB-CQSZACIVSA-N 0 0 382.485 4.627 50 0 GJAARN C/C=C/C=C/C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC ZINC000012825623 221237071 /nfs/dbraw/zinc/23/70/71/221237071.db2.gz RPYIMQUFIHZQFD-CEOICYJGSA-N 0 0 394.471 4.807 50 0 GJAARN CCc1nc(SCc2nnsc2Cl)nc(N)c1-c1ccc(Cl)cc1 ZINC000012822653 221237457 /nfs/dbraw/zinc/23/74/57/221237457.db2.gz CTLXXSGDRNLJIH-UHFFFAOYSA-N 0 0 398.344 4.739 50 0 GJAARN COc1cc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c(OC)cc1Cl ZINC000012871695 221240423 /nfs/dbraw/zinc/24/04/23/221240423.db2.gz GUSSQVLBFXBLHB-UHFFFAOYSA-N 0 0 398.890 4.581 50 0 GJAARN C[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000012885513 221241184 /nfs/dbraw/zinc/24/11/84/221241184.db2.gz WRXOLDUYTRQAIX-MRXNPFEDSA-N 0 0 382.504 4.664 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)COc3cc(Cl)ccc3Cl)o2)cs1 ZINC000012882805 221241710 /nfs/dbraw/zinc/24/17/10/221241710.db2.gz QPRPVANOCJBYAQ-UHFFFAOYSA-N 0 0 397.283 4.714 50 0 GJAARN COc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)c1 ZINC000012918538 221246016 /nfs/dbraw/zinc/24/60/16/221246016.db2.gz XHKUXWSEFVNEKD-UHFFFAOYSA-N 0 0 379.441 4.829 50 0 GJAARN O=C(COC(=O)c1cc2ccccc2s1)N1CCC(Cc2ccccc2)CC1 ZINC000012924959 221247127 /nfs/dbraw/zinc/24/71/27/221247127.db2.gz SAIRYLKEFNMFKG-UHFFFAOYSA-N 0 0 393.508 4.539 50 0 GJAARN CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 ZINC000012927810 221248178 /nfs/dbraw/zinc/24/81/78/221248178.db2.gz NMIOTGFBICSDDT-UHFFFAOYSA-N 0 0 377.469 4.510 50 0 GJAARN Cc1nc(NC(=O)CSc2ccccc2)sc1Cc1ccc2c(c1)OCO2 ZINC000012938029 221249193 /nfs/dbraw/zinc/24/91/93/221249193.db2.gz WJBZFTZJUGMZIT-UHFFFAOYSA-N 0 0 398.509 4.502 50 0 GJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2oc1=O ZINC000012972399 221250525 /nfs/dbraw/zinc/25/05/25/221250525.db2.gz MUAXTGCHTRTSMC-LLVKDONJSA-N 0 0 376.239 4.933 50 0 GJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1Br ZINC000012973439 221251059 /nfs/dbraw/zinc/25/10/59/221251059.db2.gz JVDNUIDZCDTQKU-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)ccc21 ZINC000012979329 221251843 /nfs/dbraw/zinc/25/18/43/221251843.db2.gz AEAUKAVESKGAOT-UHFFFAOYSA-N 0 0 397.891 4.789 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000013002035 221255051 /nfs/dbraw/zinc/25/50/51/221255051.db2.gz MSRMMYFWSBROEJ-QGZVFWFLSA-N 0 0 397.906 4.568 50 0 GJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccc(C)c3)s2)cc1 ZINC000012999759 221255101 /nfs/dbraw/zinc/25/51/01/221255101.db2.gz CEMHOSLCSRQRRI-BOPFTXTBSA-N 0 0 383.904 4.822 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)OC[C@@H]1CC1(Cl)Cl ZINC000012910486 221245167 /nfs/dbraw/zinc/24/51/67/221245167.db2.gz ANGBYDJMCCSQNY-IJDCCNJMSA-N 0 0 393.314 4.607 50 0 GJAARN CC(C)(C)c1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000013322769 221265456 /nfs/dbraw/zinc/26/54/56/221265456.db2.gz JFSFHGGGAOHBRW-UHFFFAOYSA-N 0 0 385.939 4.987 50 0 GJAARN C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OC(F)F)cc1 ZINC000013012122 221258084 /nfs/dbraw/zinc/25/80/84/221258084.db2.gz RRPGBAHWJCOFNW-VIFPVBQESA-N 0 0 388.183 4.681 50 0 GJAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2nnc(C(F)(F)F)s2)cc1 ZINC000013018974 221258329 /nfs/dbraw/zinc/25/83/29/221258329.db2.gz MBLXSUJNIZXETA-UHFFFAOYSA-N 0 0 387.427 4.652 50 0 GJAARN Cc1sc2ncnc(NC[C@H](c3c(F)cccc3Cl)N(C)C)c2c1C ZINC000013040027 221259251 /nfs/dbraw/zinc/25/92/51/221259251.db2.gz HJWJDSTVTKWULY-CQSZACIVSA-N 0 0 378.904 4.815 50 0 GJAARN C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1cc(F)c(Cl)cc1Cl ZINC000013038726 221259524 /nfs/dbraw/zinc/25/95/24/221259524.db2.gz CLAPQDXKOALYEU-MRVPVSSYSA-N 0 0 377.193 4.700 50 0 GJAARN CCOc1cc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC(C)C ZINC000013039564 221259541 /nfs/dbraw/zinc/25/95/41/221259541.db2.gz WPAFFPRFFXHEIQ-ZRDIBKRKSA-N 0 0 396.487 4.730 50 0 GJAARN COc1ccc(C=C2CCC[C@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000013122041 221261887 /nfs/dbraw/zinc/26/18/87/221261887.db2.gz GOZPBMCCEGQPIM-IRASXKRZSA-N 0 0 392.524 4.958 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)NC1CCCC1 ZINC000013365805 221267083 /nfs/dbraw/zinc/26/70/83/221267083.db2.gz MQWOFMQNXRHBPL-UHFFFAOYSA-N 0 0 377.513 4.895 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000013631063 221277956 /nfs/dbraw/zinc/27/79/56/221277956.db2.gz KMWJNJJEGGEHTO-UHFFFAOYSA-N 0 0 388.467 4.584 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000013633138 221278075 /nfs/dbraw/zinc/27/80/75/221278075.db2.gz JFCQUWCAVGCAMX-OAHLLOKOSA-N 0 0 394.858 4.998 50 0 GJAARN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1 ZINC000013549729 221272305 /nfs/dbraw/zinc/27/23/05/221272305.db2.gz YWVWZIDNXBHUAZ-CHHVJCJISA-N 0 0 380.252 4.896 50 0 GJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000013654434 221279635 /nfs/dbraw/zinc/27/96/35/221279635.db2.gz VVKCUFSYABWPFB-INIZCTEOSA-N 0 0 375.497 4.838 50 0 GJAARN Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013687955 221280885 /nfs/dbraw/zinc/28/08/85/221280885.db2.gz WVKLVMMSORPJCA-NRFANRHFSA-N 0 0 390.874 4.641 50 0 GJAARN CCc1nn2c(nc(C)cc2NCc2cccnc2)c1-c1ccc(Cl)cc1 ZINC000013688157 221280916 /nfs/dbraw/zinc/28/09/16/221280916.db2.gz OXZAGWKSQQTWBG-UHFFFAOYSA-N 0 0 377.879 4.928 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000013685192 221281285 /nfs/dbraw/zinc/28/12/85/221281285.db2.gz LTNYRUXZZHZCOB-UHFFFAOYSA-N 0 0 379.460 4.711 50 0 GJAARN CCn1nc(C)cc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000013699594 221282242 /nfs/dbraw/zinc/28/22/42/221282242.db2.gz KRKYNJRBNKGTLR-UHFFFAOYSA-N 0 0 387.317 4.956 50 0 GJAARN CCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000013843227 221291768 /nfs/dbraw/zinc/29/17/68/221291768.db2.gz VHYZZEXWEFQUTF-UHFFFAOYSA-N 0 0 386.407 4.506 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ncccn1 ZINC000013843982 221292010 /nfs/dbraw/zinc/29/20/10/221292010.db2.gz IAGHLEHDVXRMHV-UHFFFAOYSA-N 0 0 388.452 4.529 50 0 GJAARN O=C(Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1)C1CC1 ZINC000014084832 221298389 /nfs/dbraw/zinc/29/83/89/221298389.db2.gz ZWTAKZQRBDOWSE-UHFFFAOYSA-N 0 0 384.435 4.911 50 0 GJAARN Cc1nc2sc3c(c2c(Sc2nnc(NC4CC4)s2)n1)CC[C@@H](C)C3 ZINC000014077497 221299090 /nfs/dbraw/zinc/29/90/90/221299090.db2.gz YETIBEHNACSVGW-MRVPVSSYSA-N 0 0 389.575 4.702 50 0 GJAARN O=C(NCCC(=O)N(Cc1cccs1)Cc1cccs1)Nc1ccccc1 ZINC000014120676 221299434 /nfs/dbraw/zinc/29/94/34/221299434.db2.gz MTVAZJASIAFUBM-UHFFFAOYSA-N 0 0 399.541 4.550 50 0 GJAARN CC(C)Oc1ccc(C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cc1 ZINC000014168477 221300740 /nfs/dbraw/zinc/30/07/40/221300740.db2.gz TULSOVOCNMVLAV-UHFFFAOYSA-N 0 0 379.460 4.575 50 0 GJAARN COc1ccc2c(CC(=O)Nc3ccnn3Cc3cccc(Cl)c3)coc2c1 ZINC000014186105 221302486 /nfs/dbraw/zinc/30/24/86/221302486.db2.gz XLBMOBFJAUTRLD-UHFFFAOYSA-N 0 0 395.846 4.521 50 0 GJAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccccc3Oc3ccc(C)cc3)c12 ZINC000014182710 221302729 /nfs/dbraw/zinc/30/27/29/221302729.db2.gz PAQVPGMOQXFJOQ-UHFFFAOYSA-N 0 0 386.455 4.938 50 0 GJAARN O=C(CSc1nnnn1C1CCCCC1)Nc1ccc(-c2ccccc2)cc1 ZINC000014241576 221305358 /nfs/dbraw/zinc/30/53/58/221305358.db2.gz YESAHUBXQLCBGS-UHFFFAOYSA-N 0 0 393.516 4.576 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)c12 ZINC000014276775 221307737 /nfs/dbraw/zinc/30/77/37/221307737.db2.gz JVQKTKGLFLZUJP-UHFFFAOYSA-N 0 0 384.867 4.736 50 0 GJAARN Cc1nc2cc(OCc3cc(C(=O)N4CCCCCCC4)no3)ccc2s1 ZINC000014965395 221321243 /nfs/dbraw/zinc/32/12/43/221321243.db2.gz GYFOUTBMCQHCEN-UHFFFAOYSA-N 0 0 385.489 4.578 50 0 GJAARN CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccccc3OC)oc2cc1O ZINC000014543833 221312513 /nfs/dbraw/zinc/31/25/13/221312513.db2.gz SQHJNYLWHLPMAF-BZZOAKBMSA-N 0 0 394.471 4.601 50 0 GJAARN COc1cccc(COC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000014676100 221314709 /nfs/dbraw/zinc/31/47/09/221314709.db2.gz CMTCXYSNFYKWGC-OUKQBFOZSA-N 0 0 390.483 4.622 50 0 GJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014801968 221317002 /nfs/dbraw/zinc/31/70/02/221317002.db2.gz CYUYHYYMLKVMBD-UHFFFAOYSA-N 0 0 386.407 4.795 50 0 GJAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCOc4ccccc43)o2)cc1C ZINC000014780403 221317607 /nfs/dbraw/zinc/31/76/07/221317607.db2.gz VHIDFVDWUFNSQI-LJQANCHMSA-N 0 0 376.456 4.531 50 0 GJAARN O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)c1ccncc1 ZINC000014959935 221319912 /nfs/dbraw/zinc/31/99/12/221319912.db2.gz YMEKWKHDKMLMJB-INIZCTEOSA-N 0 0 398.384 4.501 50 0 GJAARN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN(C)[C@@H](C)c1nccs1 ZINC000015078464 221332627 /nfs/dbraw/zinc/33/26/27/221332627.db2.gz JAYHGFNYLOGPJP-JTQLQIEISA-N 0 0 391.880 4.682 50 0 GJAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000015079708 221332764 /nfs/dbraw/zinc/33/27/64/221332764.db2.gz TWIUSQLABCKMJZ-UHFFFAOYSA-N 0 0 391.393 4.588 50 0 GJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Br)c1 ZINC000015094174 221333137 /nfs/dbraw/zinc/33/31/37/221333137.db2.gz QNCJYFRATGUJFT-NSHDSACASA-N 0 0 375.291 4.892 50 0 GJAARN Cc1cc(Cl)c(CC(=O)Nc2ccc(Br)c(C)c2)c(Cl)n1 ZINC000015191296 221333528 /nfs/dbraw/zinc/33/35/28/221333528.db2.gz OHYXJKMMXOHCGP-UHFFFAOYSA-N 0 0 388.092 4.949 50 0 GJAARN Cc1cccc2nc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)cn21 ZINC000015308869 221335332 /nfs/dbraw/zinc/33/53/32/221335332.db2.gz SKMQOXLFOQBNAF-UHFFFAOYSA-N 0 0 390.440 4.819 50 0 GJAARN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000015009890 221326108 /nfs/dbraw/zinc/32/61/08/221326108.db2.gz WJBFVPDZGJNFTB-MFOYZWKCSA-N 0 0 389.860 4.594 50 0 GJAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)c1 ZINC000015069404 221328817 /nfs/dbraw/zinc/32/88/17/221328817.db2.gz FTSBAYXBZOFUDB-QGZVFWFLSA-N 0 0 395.478 4.584 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)N[C@H](C)c1ccccc1 ZINC000015681398 221339979 /nfs/dbraw/zinc/33/99/79/221339979.db2.gz OLZUMJXAGFBHPS-GOSISDBHSA-N 0 0 384.483 4.771 50 0 GJAARN COC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1cccc(C)c1)CCCC3 ZINC000015680359 221340281 /nfs/dbraw/zinc/34/02/81/221340281.db2.gz VOJMIPYDYKGNSO-UHFFFAOYSA-N 0 0 396.512 4.683 50 0 GJAARN CCn1nc(SCCC(C)C)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839444 221346406 /nfs/dbraw/zinc/34/64/06/221346406.db2.gz DWCNPXMVROJKFX-UHFFFAOYSA-N 0 0 396.560 4.550 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 ZINC000015832725 221346817 /nfs/dbraw/zinc/34/68/17/221346817.db2.gz UEFAAZRXBUGSFU-INIZCTEOSA-N 0 0 396.512 4.519 50 0 GJAARN O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(F)cc1 ZINC000015827521 221347026 /nfs/dbraw/zinc/34/70/26/221347026.db2.gz LRLJQEFBJNBTSA-UHFFFAOYSA-N 0 0 387.458 4.939 50 0 GJAARN CCCOc1ccc(NC(=O)c2ccc(Br)o2)c2cccnc12 ZINC000015841047 221347501 /nfs/dbraw/zinc/34/75/01/221347501.db2.gz UNZHFBFUIMJUBM-UHFFFAOYSA-N 0 0 375.222 4.631 50 0 GJAARN Cc1ccc(C(=O)CSc2nc(=O)n(C3CCCCC3)c3c2CCC3)cc1 ZINC000015840340 221347911 /nfs/dbraw/zinc/34/79/11/221347911.db2.gz LCTQJBUGIOULFN-UHFFFAOYSA-N 0 0 382.529 4.521 50 0 GJAARN COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(C)c(C)c4)c3ncn2n1 ZINC000015842348 221348171 /nfs/dbraw/zinc/34/81/71/221348171.db2.gz UAOFMGIUXUEUHD-UHFFFAOYSA-N 0 0 397.482 4.977 50 0 GJAARN Cc1ccc(CSc2nc(=O)n(-c3ccc(Cl)cc3)c3c2CCC3)cc1 ZINC000015840466 221348225 /nfs/dbraw/zinc/34/82/25/221348225.db2.gz ZMKLUMADMUGWFA-UHFFFAOYSA-N 0 0 382.916 4.975 50 0 GJAARN Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(N3CCOCC3)n2)cc1 ZINC000015859178 221348806 /nfs/dbraw/zinc/34/88/06/221348806.db2.gz 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221363918 /nfs/dbraw/zinc/36/39/18/221363918.db2.gz OUHXSJDPASFVMS-MRXNPFEDSA-N 0 0 376.319 4.653 50 0 GJAARN CC(C)N(C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)C(C)C ZINC000017113361 221380015 /nfs/dbraw/zinc/38/00/15/221380015.db2.gz RSKTXOIDQLYNGQ-UHFFFAOYSA-N 0 0 394.928 4.628 50 0 GJAARN CCn1c(SCc2cccc(C)c2)nnc1-c1cc(OC)c(OC)c(OC)c1 ZINC000017081737 221380191 /nfs/dbraw/zinc/38/01/91/221380191.db2.gz XDEUPZNOLRUWIN-UHFFFAOYSA-N 0 0 399.516 4.592 50 0 GJAARN CCOc1ccc(N2CCn3c(SCc4ccc(Cl)cc4)nnc32)cc1 ZINC000017307784 221381913 /nfs/dbraw/zinc/38/19/13/221381913.db2.gz PDJWQCDAYMMOOK-UHFFFAOYSA-N 0 0 386.908 4.774 50 0 GJAARN O=C(Cc1csc(-c2cccs2)n1)NCc1cccc(C(F)(F)F)c1 ZINC000017346185 221383967 /nfs/dbraw/zinc/38/39/67/221383967.db2.gz APWLOYKJIDEMSZ-UHFFFAOYSA-N 0 0 382.432 4.749 50 0 GJAARN CC1=NC(=S)N[C@H](c2ccc(C(C)(C)C)cc2)C1C(=O)OCc1ccccc1 ZINC000016713879 221369349 /nfs/dbraw/zinc/36/93/49/221369349.db2.gz VWHLDKBFKUBSFX-HXUWFJFHSA-N 0 0 394.540 4.520 50 0 GJAARN CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1F ZINC000016778717 221370635 /nfs/dbraw/zinc/37/06/35/221370635.db2.gz BCEQWFKFUOVKKN-AWEZNQCLSA-N 0 0 398.297 4.565 50 0 GJAARN Cc1cc(NC(=O)[C@@H](Sc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)no1 ZINC000016812805 221372202 /nfs/dbraw/zinc/37/22/02/221372202.db2.gz GYDQPVKCTPVQBU-KRWDZBQOSA-N 0 0 398.875 4.985 50 0 GJAARN Cc1sc2[nH]c(=S)n(-c3ccc(O)cc3C)c(=O)c2c1-c1ccccc1 ZINC000017077805 221377711 /nfs/dbraw/zinc/37/77/11/221377711.db2.gz LPPKSHUSWGSYRW-UHFFFAOYSA-N 0 0 380.494 4.725 50 0 GJAARN CCCN(Cc1ccc(OCC(C)C)c(OC)c1)C(=O)c1ccc2[nH]cnc2c1 ZINC000017961246 221385716 /nfs/dbraw/zinc/38/57/16/221385716.db2.gz JHCLVJJIVRHJHP-UHFFFAOYSA-N 0 0 395.503 4.659 50 0 GJAARN COc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000018006404 221385982 /nfs/dbraw/zinc/38/59/82/221385982.db2.gz ROQJBOUYPYTZEQ-PXLXIMEGSA-N 0 0 384.435 4.644 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1 ZINC000018067971 221386442 /nfs/dbraw/zinc/38/64/42/221386442.db2.gz 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221521983 /nfs/dbraw/zinc/52/19/83/221521983.db2.gz ZGKDFXXPUYVNLA-UHFFFAOYSA-N 0 0 396.537 4.931 50 0 GJAARN Cc1ccc(-c2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)n2C)cc1 ZINC000021098827 221525904 /nfs/dbraw/zinc/52/59/04/221525904.db2.gz BAFRDJWWADGHRN-UHFFFAOYSA-N 0 0 390.512 4.541 50 0 GJAARN C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241644375 533358179 /nfs/dbraw/zinc/35/81/79/533358179.db2.gz PQGBIFMTTCGWLW-KKSFZXQISA-N 0 0 390.483 4.738 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000046078514 132425844 /nfs/dbraw/zinc/42/58/44/132425844.db2.gz JGBOAJFLSTUCOU-UHFFFAOYSA-N 0 0 398.506 4.826 50 0 GJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000046078461 132425878 /nfs/dbraw/zinc/42/58/78/132425878.db2.gz GWJRRXHIQRGJFX-UHFFFAOYSA-N 0 0 386.451 4.541 50 0 GJAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC[C@@H]3C)c2c1 ZINC000049699181 132438597 /nfs/dbraw/zinc/43/85/97/132438597.db2.gz UGDMQTRZGCCDBK-KRWDZBQOSA-N 0 0 380.513 4.755 50 0 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/nfs/dbraw/zinc/15/88/86/136158886.db2.gz FUVGFIGKDFXMKB-UHFFFAOYSA-N 0 0 392.503 4.819 50 0 GJAARN CN(C(=O)c1cccc(-c2cnc(N3CCCCC3)nc2)c1)C1CCCCC1 ZINC000065025748 136158898 /nfs/dbraw/zinc/15/88/98/136158898.db2.gz JHOCUHCQLNVXRG-UHFFFAOYSA-N 0 0 378.520 4.539 50 0 GJAARN Cc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2cccc(C)c2)cc1 ZINC000065074904 136159071 /nfs/dbraw/zinc/15/90/71/136159071.db2.gz HPGDQRDSOLLWRG-SANMLTNESA-N 0 0 398.506 4.581 50 0 GJAARN O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc(N2CCCCC2=O)c1 ZINC000096103528 136183750 /nfs/dbraw/zinc/18/37/50/136183750.db2.gz KSWADTVGMCGPEF-UHFFFAOYSA-N 0 0 390.405 4.794 50 0 GJAARN CC1(C)CC(=O)N(CCCC(=O)Nc2cccc3cccnc32)c2ccccc21 ZINC000096184050 136185063 /nfs/dbraw/zinc/18/50/63/136185063.db2.gz XJJQEPKKWIKAJJ-UHFFFAOYSA-N 0 0 387.483 4.668 50 0 GJAARN Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCCC1=O ZINC000005441374 136194895 /nfs/dbraw/zinc/19/48/95/136194895.db2.gz ZHDSTNDWCSSQQM-UHFFFAOYSA-N 0 0 387.277 4.527 50 0 GJAARN Clc1ccc(COc2cccc3ccc(N4CCOCC4)nc32)c(Cl)c1 ZINC000008769724 136195694 /nfs/dbraw/zinc/19/56/94/136195694.db2.gz RGXSQFNMQRYBGR-UHFFFAOYSA-N 0 0 389.282 4.957 50 0 GJAARN C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(F)cc4)c3n2)C1 ZINC000017245598 136202270 /nfs/dbraw/zinc/20/22/70/136202270.db2.gz CCSSTSFDMYMDGK-MRXNPFEDSA-N 0 0 393.462 4.628 50 0 GJAARN CCOC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cn2)cc1 ZINC000263625204 209081406 /nfs/dbraw/zinc/08/14/06/209081406.db2.gz XRRJGDIDYWFBOR-HZPDHXFCSA-N 0 0 399.903 4.943 50 0 GJAARN FC(F)Oc1cc(Br)cc(OC(F)(F)F)c1Br ZINC000263624462 209082103 /nfs/dbraw/zinc/08/21/03/209082103.db2.gz QSQRQZHZUSUFPM-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN O=C(c1cc(Cc2cccc3ccccc32)no1)N1CCC[C@@H]1c1nccs1 ZINC000299756570 209082301 /nfs/dbraw/zinc/08/23/01/209082301.db2.gz HJALJNPMIBIKTR-LJQANCHMSA-N 0 0 389.480 4.852 50 0 GJAARN O=C(Nc1c(Br)cc(Cl)cc1Br)c1ccco1 ZINC000004795804 209082588 /nfs/dbraw/zinc/08/25/88/209082588.db2.gz JQADFACCYBWZCO-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/56/58/64/221565864.db2.gz QDCBJKXYUDRDNU-UHFFFAOYSA-N 0 0 375.509 4.593 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2)c(Cl)c1 ZINC000022942700 221577605 /nfs/dbraw/zinc/57/76/05/221577605.db2.gz VWCFWTFIHCGISG-AWEZNQCLSA-N 0 0 386.908 4.657 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2)cs1 ZINC000022979302 221577943 /nfs/dbraw/zinc/57/79/43/221577943.db2.gz UYQMTRGVLQMQTL-UHFFFAOYSA-N 0 0 395.509 4.805 50 0 GJAARN CC(=O)O[C@@H](C(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1)c1ccccc1 ZINC000023333386 221591439 /nfs/dbraw/zinc/59/14/39/221591439.db2.gz MVYOEUZSBUQBBA-LOSJGSFVSA-N 0 0 399.490 4.774 50 0 GJAARN CC(C)NC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000024510016 221615137 /nfs/dbraw/zinc/61/51/37/221615137.db2.gz HYQNTUAZAHSCSM-UHFFFAOYSA-N 0 0 387.483 4.987 50 0 GJAARN O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)c1ccc(Cl)cc1 ZINC000024973555 221622068 /nfs/dbraw/zinc/62/20/68/221622068.db2.gz CFMQOGTYYBKWSF-KRWDZBQOSA-N 0 0 382.872 4.512 50 0 GJAARN COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3Cc3ccccc3)s2)cc1 ZINC000025518916 221630824 /nfs/dbraw/zinc/63/08/24/221630824.db2.gz KZUGTFOXZIHHTK-IBGZPJMESA-N 0 0 392.524 4.974 50 0 GJAARN Cc1cc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c(C)s1 ZINC000025874831 221635478 /nfs/dbraw/zinc/63/54/78/221635478.db2.gz PYVQBMIWTDDMLD-UHFFFAOYSA-N 0 0 383.585 4.879 50 0 GJAARN Cc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)cc(C)c1Cl ZINC000028404477 221676863 /nfs/dbraw/zinc/67/68/63/221676863.db2.gz KJEKGUDOXFRMGS-AWEZNQCLSA-N 0 0 389.908 4.669 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000029026724 221687336 /nfs/dbraw/zinc/68/73/36/221687336.db2.gz LDQXEFDIXVUSMV-HSZRJFAPSA-N 0 0 390.483 4.911 50 0 GJAARN Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000029169750 221691083 /nfs/dbraw/zinc/69/10/83/221691083.db2.gz QBVXMZBWNDALAF-UHFFFAOYSA-N 0 0 398.462 4.827 50 0 GJAARN O=C(CSc1nc(-c2ccco2)nc2ccccc21)c1ccc2c(c1)OCO2 ZINC000032868653 221742729 /nfs/dbraw/zinc/74/27/29/221742729.db2.gz CSCYIZZPOZUGSH-UHFFFAOYSA-N 0 0 390.420 4.594 50 0 GJAARN O=C(OCc1cccc2cccnc21)c1nccnc1-c1nc2ccccc2s1 ZINC000032865437 221742746 /nfs/dbraw/zinc/74/27/46/221742746.db2.gz LIDCOMORQUNXKG-UHFFFAOYSA-N 0 0 398.447 4.659 50 0 GJAARN CCCNC(=O)c1csc(-c2ccccc2OCc2ccc(F)cc2F)n1 ZINC000034714197 221802967 /nfs/dbraw/zinc/80/29/67/221802967.db2.gz IIXRQNSMOKGROH-UHFFFAOYSA-N 0 0 388.439 4.807 50 0 GJAARN Cc1ccc(C)c(-c2nn(C[C@@H](O)c3ccc(F)cc3)c(=O)c3ccccc32)c1 ZINC000032907287 221747592 /nfs/dbraw/zinc/74/75/92/221747592.db2.gz GGCREJYNYJFLOP-JOCHJYFZSA-N 0 0 388.442 4.553 50 0 GJAARN CCC(CC)[C@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000032915559 221748800 /nfs/dbraw/zinc/74/88/00/221748800.db2.gz DAEOZXUSVSGLAA-QFIPXVFZSA-N 0 0 385.504 4.549 50 0 GJAARN CC(=O)Nc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1 ZINC000032961241 221757342 /nfs/dbraw/zinc/75/73/42/221757342.db2.gz ZSZJFPWZGGRTTC-UHFFFAOYSA-N 0 0 379.363 4.526 50 0 GJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCC2)c(C)c1 ZINC000033025530 221766044 /nfs/dbraw/zinc/76/60/44/221766044.db2.gz UQQXBJKUKJXRPT-UHFFFAOYSA-N 0 0 377.492 4.527 50 0 GJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccnc2)cc1 ZINC000033050588 221766857 /nfs/dbraw/zinc/76/68/57/221766857.db2.gz SESIZVCBJYWERT-UHFFFAOYSA-N 0 0 388.496 4.519 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 ZINC000033064195 221768632 /nfs/dbraw/zinc/76/86/32/221768632.db2.gz PUFNXPSJLZNONC-UHFFFAOYSA-N 0 0 390.867 4.501 50 0 GJAARN Cc1c(C(=O)NCCC2=CCCCC2)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078958 221770094 /nfs/dbraw/zinc/77/00/94/221770094.db2.gz SRRILPBIQORXHA-UHFFFAOYSA-N 0 0 384.549 4.529 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2)cc1C ZINC000033168932 221776075 /nfs/dbraw/zinc/77/60/75/221776075.db2.gz JYVWAFAYHXHYST-UHFFFAOYSA-N 0 0 381.526 4.975 50 0 GJAARN COc1cccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033288924 221785058 /nfs/dbraw/zinc/78/50/58/221785058.db2.gz UCAXHGASNOAYBZ-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(F)cc3)c2C(=O)OC)C1 ZINC000033379540 221791280 /nfs/dbraw/zinc/79/12/80/221791280.db2.gz DDXJITIZXXEGJW-YLBKJLTLSA-N 0 0 387.476 4.841 50 0 GJAARN O=C(Oc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1)c1ccco1 ZINC000033913044 221797361 /nfs/dbraw/zinc/79/73/61/221797361.db2.gz YULDGUMRTOEZQN-QGOAFFKASA-N 0 0 391.404 4.740 50 0 GJAARN COc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000035319262 221819815 /nfs/dbraw/zinc/81/98/15/221819815.db2.gz SDIILYPHXACNLJ-INIZCTEOSA-N 0 0 398.850 4.768 50 0 GJAARN COc1ccc(CC(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1 ZINC000035555068 221827868 /nfs/dbraw/zinc/82/78/68/221827868.db2.gz SBDAQEWJQZNVLJ-UHFFFAOYSA-N 0 0 383.473 4.564 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1-c1ccccc1 ZINC000035563876 221829447 /nfs/dbraw/zinc/82/94/47/221829447.db2.gz CNYUARPUDAOWOM-UHFFFAOYSA-N 0 0 380.419 4.956 50 0 GJAARN COc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036148763 221845512 /nfs/dbraw/zinc/84/55/12/221845512.db2.gz KHDNVHKVZGIXNA-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN Cc1cccc(OCc2nc(CN(C(=O)NC(C)(C)C)C(C)C)cs2)c1 ZINC000036115147 221845523 /nfs/dbraw/zinc/84/55/23/221845523.db2.gz GHWXMUIQTFUXNJ-UHFFFAOYSA-N 0 0 375.538 4.749 50 0 GJAARN O=C(c1cccc(F)c1)N1CCC[C@@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314435 221850344 /nfs/dbraw/zinc/85/03/44/221850344.db2.gz FSMLPRBXEZTUGF-GOSISDBHSA-N 0 0 381.369 4.666 50 0 GJAARN O=c1c2c3c(sc2ncn1[C@H]1CCc2ccccc2NC1=O)CCCCC3 ZINC000036367329 221854921 /nfs/dbraw/zinc/85/49/21/221854921.db2.gz HJIBLUCDQSQYMO-INIZCTEOSA-N 0 0 379.485 4.502 50 0 GJAARN CC(C)CNC(=O)Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037397274 221870595 /nfs/dbraw/zinc/87/05/95/221870595.db2.gz MGQSKMYGMJDDLJ-UHFFFAOYSA-N 0 0 390.314 4.706 50 0 GJAARN O=C(c1cc2sc(Br)cc2n1Cc1ccccc1)N1CCCC1 ZINC000037542579 221873090 /nfs/dbraw/zinc/87/30/90/221873090.db2.gz OHOMMVZTZOVNLQ-UHFFFAOYSA-N 0 0 389.318 4.750 50 0 GJAARN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000037587629 221873930 /nfs/dbraw/zinc/87/39/30/221873930.db2.gz TYSXXTMMGDMLDK-UHFFFAOYSA-N 0 0 390.449 4.758 50 0 GJAARN CCOc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccc(F)c3)cs2)cc1 ZINC000040068087 221899834 /nfs/dbraw/zinc/89/98/34/221899834.db2.gz RVRUAUUVJOJYJB-AWEZNQCLSA-N 0 0 384.476 4.768 50 0 GJAARN C[C@H](Cc1ccccc1Cl)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000040112107 221905750 /nfs/dbraw/zinc/90/57/50/221905750.db2.gz JQSANMWMOBZXSW-GFCCVEGCSA-N 0 0 389.883 4.688 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2OCCc2ccccc2)oc2c1C(=O)CCC2 ZINC000040134082 221910701 /nfs/dbraw/zinc/91/07/01/221910701.db2.gz PFLZYYQEPABIFJ-UHFFFAOYSA-N 0 0 389.451 4.981 50 0 GJAARN O=C(Nc1cccc(OCCn2cccn2)c1)c1ccccc1-c1ccccc1 ZINC000040135160 221911406 /nfs/dbraw/zinc/91/14/06/221911406.db2.gz ZNBLWXQQDLPMIY-UHFFFAOYSA-N 0 0 383.451 4.881 50 0 GJAARN Cc1noc(-c2cccc(NC(=O)CCCOc3ccc(Cl)cc3C)c2)n1 ZINC000040152558 221914208 /nfs/dbraw/zinc/91/42/08/221914208.db2.gz BMCKRWBUYZQHDU-UHFFFAOYSA-N 0 0 385.851 4.805 50 0 GJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000055737742 222024367 /nfs/dbraw/zinc/02/43/67/222024367.db2.gz AXGGYTVUHWXVSL-GOSISDBHSA-N 0 0 384.838 4.870 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1ccc(Cl)cc1)CO2 ZINC000057121078 222027938 /nfs/dbraw/zinc/02/79/38/222027938.db2.gz UIGRJWXCWTWURG-UHFFFAOYSA-N 0 0 395.886 4.986 50 0 GJAARN COc1ccc(NC(=O)[C@@H](NCc2cccs2)c2ccccc2)cc1Cl ZINC000057024551 222028126 /nfs/dbraw/zinc/02/81/26/222028126.db2.gz QTECOGXLLVSZKI-IBGZPJMESA-N 0 0 386.904 4.880 50 0 GJAARN COc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1OC ZINC000057354821 222031601 /nfs/dbraw/zinc/03/16/01/222031601.db2.gz MADQUUKMBQSYDP-UHFFFAOYSA-N 0 0 393.468 4.777 50 0 GJAARN Cc1[nH]c(=S)sc1CC(=O)N(Cc1ccccc1Br)C1CC1 ZINC000045455341 221963121 /nfs/dbraw/zinc/96/31/21/221963121.db2.gz RGRILLLUBYLVFQ-UHFFFAOYSA-N 0 0 397.363 4.610 50 0 GJAARN C[C@@H](OC[C@@H](O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 ZINC000045821582 221964743 /nfs/dbraw/zinc/96/47/43/221964743.db2.gz LTBPAROLKUYQDA-KDOFPFPSSA-N 0 0 381.859 4.592 50 0 GJAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)NC1CCCCC1 ZINC000045943253 221965872 /nfs/dbraw/zinc/96/58/72/221965872.db2.gz JIJSCHOTRHLVCO-UHFFFAOYSA-N 0 0 395.322 4.645 50 0 GJAARN CN(Cc1ccc(Cl)cc1Cl)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057504069 222034964 /nfs/dbraw/zinc/03/49/64/222034964.db2.gz BIHPBTVITIJYJB-SFHVURJKSA-N 0 0 381.278 4.584 50 0 GJAARN CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl ZINC000048301427 221985691 /nfs/dbraw/zinc/98/56/91/221985691.db2.gz ZRFPAPCZLURZOY-UHFFFAOYSA-N 0 0 383.879 4.751 50 0 GJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1 ZINC000049004488 221993832 /nfs/dbraw/zinc/99/38/32/221993832.db2.gz QSPWFXUJHIRXJW-UHFFFAOYSA-N 0 0 391.349 4.757 50 0 GJAARN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)Cc1c(F)cccc1Cl ZINC000054665913 222013880 /nfs/dbraw/zinc/01/38/80/222013880.db2.gz AZEWSSGSDNHQPZ-LJQANCHMSA-N 0 0 385.870 4.662 50 0 GJAARN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccon3)n2C2CC2)c1 ZINC000055175131 222016296 /nfs/dbraw/zinc/01/62/96/222016296.db2.gz JGXGPYZQWWFKRK-UHFFFAOYSA-N 0 0 384.505 4.904 50 0 GJAARN Cc1oc(-c2ccc(Cl)cc2)nc1CN(C)Cc1ccc2nccnc2c1 ZINC000055182808 222016466 /nfs/dbraw/zinc/01/64/66/222016466.db2.gz PKJYRMCUFWIDKI-UHFFFAOYSA-N 0 0 378.863 4.879 50 0 GJAARN CN(Cc1nc(Cc2ccccc2Cl)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055211910 222018199 /nfs/dbraw/zinc/01/81/99/222018199.db2.gz KDUVPMIMMLWJAS-UHFFFAOYSA-N 0 0 395.812 4.965 50 0 GJAARN Cc1c([C@H](C)NCc2cnc(-c3ccccc3C)nc2)cnn1-c1ccccc1 ZINC000055370905 222019618 /nfs/dbraw/zinc/01/96/18/222019618.db2.gz QHRQZABVFBBKOP-SFHVURJKSA-N 0 0 383.499 4.797 50 0 GJAARN CCOc1ccc(Cl)c(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)n1 ZINC000055320072 222021297 /nfs/dbraw/zinc/02/12/97/222021297.db2.gz ZDZDSHRHQGBBPB-UHFFFAOYSA-N 0 0 396.878 4.586 50 0 GJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4)cc32)cc1 ZINC000064990293 222093386 /nfs/dbraw/zinc/09/33/86/222093386.db2.gz FWMIMPNVIBGRCN-UHFFFAOYSA-N 0 0 385.467 4.520 50 0 GJAARN CC[C@@H](C)NC(=O)Nc1ccc2sc(C(=O)OC)c(OCC(C)C)c2c1 ZINC000065023079 222095327 /nfs/dbraw/zinc/09/53/27/222095327.db2.gz DUTXOLZCEBUHKP-GFCCVEGCSA-N 0 0 378.494 4.643 50 0 GJAARN COc1cc(Cc2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc(OC)c1 ZINC000065032286 222096237 /nfs/dbraw/zinc/09/62/37/222096237.db2.gz HFXOYIQNFDBUAE-UHFFFAOYSA-N 0 0 393.468 4.777 50 0 GJAARN COc1ccc2oc(-c3noc([C@H](NC(=O)c4ccco4)C(C)C)n3)c(C)c2c1 ZINC000065097242 222101005 /nfs/dbraw/zinc/10/10/05/222101005.db2.gz GIZPSPWFUAUMAW-QGZVFWFLSA-N 0 0 395.415 4.520 50 0 GJAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4ccc(C)c(F)c4)C3)n2)cc1 ZINC000065135500 222102366 /nfs/dbraw/zinc/10/23/66/222102366.db2.gz ZENLWFWCPGDDHA-FQEVSTJZSA-N 0 0 389.474 4.919 50 0 GJAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135727 222103047 /nfs/dbraw/zinc/10/30/47/222103047.db2.gz LIBXHVWCHOUDSS-QGZVFWFLSA-N 0 0 395.865 4.956 50 0 GJAARN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3C)C2)c1 ZINC000065136554 222103134 /nfs/dbraw/zinc/10/31/34/222103134.db2.gz FHXHXMUTRJKCKW-HXUWFJFHSA-N 0 0 393.531 4.644 50 0 GJAARN Cn1nccc1-c1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000065137271 222103378 /nfs/dbraw/zinc/10/33/78/222103378.db2.gz TXWCBDOTNMPLIB-UHFFFAOYSA-N 0 0 381.233 4.567 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4cccc(F)c4)n3)C2)cc1 ZINC000065148461 222103833 /nfs/dbraw/zinc/10/38/33/222103833.db2.gz PSUYTMZSJQJWJF-SFHVURJKSA-N 0 0 390.462 4.688 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135687 222104005 /nfs/dbraw/zinc/10/40/05/222104005.db2.gz SCRYYOYMVUXOED-GOSISDBHSA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135790 222104088 /nfs/dbraw/zinc/10/40/88/222104088.db2.gz XXNIDGUEKZGNME-SFHVURJKSA-N 0 0 375.447 4.611 50 0 GJAARN CCc1ccccc1NC(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165102 222104489 /nfs/dbraw/zinc/10/44/89/222104489.db2.gz PBRVOCSWHFOUPP-UHFFFAOYSA-N 0 0 378.501 4.620 50 0 GJAARN CCCn1c(-c2cccc(C(=O)NCc3ccccc3F)c2)nc2cccnc21 ZINC000065172815 222106453 /nfs/dbraw/zinc/10/64/53/222106453.db2.gz JPAFOWNOTBCBLR-UHFFFAOYSA-N 0 0 388.446 4.577 50 0 GJAARN COc1ccc(NC(=O)c2sc(NCc3ccco3)nc2C)cc1Cl ZINC000065184701 222106762 /nfs/dbraw/zinc/10/67/62/222106762.db2.gz IAALOFHRLAOORJ-UHFFFAOYSA-N 0 0 377.853 4.571 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)c1 ZINC000065184783 222107559 /nfs/dbraw/zinc/10/75/59/222107559.db2.gz VYBITFJXAXZONM-UHFFFAOYSA-N 0 0 383.473 4.773 50 0 GJAARN O=C(NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)c1ccsc1 ZINC000065195962 222108080 /nfs/dbraw/zinc/10/80/80/222108080.db2.gz NRVIYBKBQHDIEP-UHFFFAOYSA-N 0 0 385.445 4.596 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2nc(C(C)C)no2)s1 ZINC000065196038 222108482 /nfs/dbraw/zinc/10/84/82/222108482.db2.gz XZTKYALZHKKWEW-UHFFFAOYSA-N 0 0 391.880 4.514 50 0 GJAARN O=C(CCc1conc1-c1cccc(F)c1)NCc1ccccc1C(F)(F)F ZINC000065213520 222111288 /nfs/dbraw/zinc/11/12/88/222111288.db2.gz GEIXCTXTBBYGAX-UHFFFAOYSA-N 0 0 392.352 4.749 50 0 GJAARN O=C(CCc1conc1-c1ccccc1F)NCc1cccc(C(F)(F)F)c1 ZINC000065213601 222111363 /nfs/dbraw/zinc/11/13/63/222111363.db2.gz YGRFQMAXHJEPPR-UHFFFAOYSA-N 0 0 392.352 4.749 50 0 GJAARN O=C(CCc1conc1-c1cccc(F)c1)NCc1ccc(F)c(Cl)c1 ZINC000065213516 222111590 /nfs/dbraw/zinc/11/15/90/222111590.db2.gz FUDKSXQRSHMQSS-UHFFFAOYSA-N 0 0 376.790 4.522 50 0 GJAARN Cc1ccc(-c2nocc2CCC(=O)NCc2ccccc2Br)cc1 ZINC000065213395 222111618 /nfs/dbraw/zinc/11/16/18/222111618.db2.gz QNHORRRUVUJTNQ-UHFFFAOYSA-N 0 0 399.288 4.662 50 0 GJAARN CCCN1CCN(C(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1 ZINC000058083213 222038703 /nfs/dbraw/zinc/03/87/03/222038703.db2.gz KGZMHDRJTXZSQD-UHFFFAOYSA-N 0 0 392.977 4.842 50 0 GJAARN CSc1cccc(NC(=S)N2CCCN(Cc3cccc(Cl)c3)C2)c1 ZINC000058096608 222038961 /nfs/dbraw/zinc/03/89/61/222038961.db2.gz FTODNNJQFPXFFV-UHFFFAOYSA-N 0 0 391.993 4.924 50 0 GJAARN CC(C)(C)[C@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1cccs1 ZINC000058146445 222040944 /nfs/dbraw/zinc/04/09/44/222040944.db2.gz WBYQGDQLQXMBBD-QGZVFWFLSA-N 0 0 387.505 4.609 50 0 GJAARN O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)cc1Cl ZINC000058162049 222042295 /nfs/dbraw/zinc/04/22/95/222042295.db2.gz XNFMZRTZLZLQPQ-IBGZPJMESA-N 0 0 389.927 4.809 50 0 GJAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccccc1F ZINC000058289242 222047779 /nfs/dbraw/zinc/04/77/79/222047779.db2.gz ZEWILXLKRKVUNG-CYBMUJFWSA-N 0 0 375.831 4.601 50 0 GJAARN CC(C)N(Cc1ccccc1)C(=O)Nc1cccc(I)c1 ZINC000058305080 222048966 /nfs/dbraw/zinc/04/89/66/222048966.db2.gz XHSHEJJJBGQYRX-UHFFFAOYSA-N 0 0 394.256 4.734 50 0 GJAARN C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC000058325523 222049363 /nfs/dbraw/zinc/04/93/63/222049363.db2.gz WOOGTAJVQLCBGC-GFCCVEGCSA-N 0 0 385.265 4.722 50 0 GJAARN O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(COCC(F)(F)F)cc1 ZINC000058394199 222050948 /nfs/dbraw/zinc/05/09/48/222050948.db2.gz HOGGJTADPMMOCI-UHFFFAOYSA-N 0 0 399.419 4.598 50 0 GJAARN Cc1nc(C)c([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)s1 ZINC000058416787 222052612 /nfs/dbraw/zinc/05/26/12/222052612.db2.gz AGEWFUBBXZSCBS-HNNXBMFYSA-N 0 0 378.497 4.790 50 0 GJAARN CCCSCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000059368423 222055823 /nfs/dbraw/zinc/05/58/23/222055823.db2.gz GASJSKXLPFYLLV-UHFFFAOYSA-N 0 0 379.529 4.641 50 0 GJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC000060098740 222058362 /nfs/dbraw/zinc/05/83/62/222058362.db2.gz UOYUNTADKVATDV-UHFFFAOYSA-N 0 0 381.650 4.539 50 0 GJAARN Cc1cccc2c1N[C@@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)NC2=O ZINC000060523376 222059211 /nfs/dbraw/zinc/05/92/11/222059211.db2.gz UGWUUVYGXDZBAV-MRXNPFEDSA-N 0 0 389.402 4.991 50 0 GJAARN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1cccc(F)c1F ZINC000061786281 222063265 /nfs/dbraw/zinc/06/32/65/222063265.db2.gz KALSCSCPLBSJJM-UHFFFAOYSA-N 0 0 380.394 4.888 50 0 GJAARN CCC[C@@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)C1 ZINC000063883893 222069054 /nfs/dbraw/zinc/06/90/54/222069054.db2.gz GGPTWGWAGVHYJI-QGZVFWFLSA-N 0 0 376.504 4.514 50 0 GJAARN Cc1ccc2c(C(=O)N(C)C3CCCCC3)cc(-c3cnn(C)c3)nc2c1C ZINC000063870181 222069623 /nfs/dbraw/zinc/06/96/23/222069623.db2.gz HTAQJMVWHQSGRL-UHFFFAOYSA-N 0 0 376.504 4.657 50 0 GJAARN Cc1cccc(C)c1Nc1c(C(=O)N2CCSCC2)cnc2ccccc21 ZINC000064471761 222072965 /nfs/dbraw/zinc/07/29/65/222072965.db2.gz ALWHGVBEPPBGJW-UHFFFAOYSA-N 0 0 377.513 4.784 50 0 GJAARN C[C@H](CNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1 ZINC000064664784 222078069 /nfs/dbraw/zinc/07/80/69/222078069.db2.gz YJLNJQZWXYYOAF-QGZVFWFLSA-N 0 0 387.458 4.757 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)o1 ZINC000064668479 222078083 /nfs/dbraw/zinc/07/80/83/222078083.db2.gz QDIDNODLYUNWSH-UHFFFAOYSA-N 0 0 390.487 4.720 50 0 GJAARN O=C(CCc1c(-c2ccccc2)nc2ccccn21)Nc1ccc(F)cc1F ZINC000064675821 222078974 /nfs/dbraw/zinc/07/89/74/222078974.db2.gz JUCOOOUUPIWRDT-UHFFFAOYSA-N 0 0 377.394 4.851 50 0 GJAARN Cc1ccc(C)c(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000064775750 222082112 /nfs/dbraw/zinc/08/21/12/222082112.db2.gz DYDHNZLQEGHXPA-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN Cc1ccc(-c2nc(CCN(C)C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 ZINC000064839842 222084894 /nfs/dbraw/zinc/08/48/94/222084894.db2.gz SPZKZGMNEUKUHT-UHFFFAOYSA-N 0 0 384.867 4.713 50 0 GJAARN Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000064858604 222085692 /nfs/dbraw/zinc/08/56/92/222085692.db2.gz FAQCKNMELHVDSZ-UHFFFAOYSA-N 0 0 385.511 4.960 50 0 biogenic GJAARN Cc1cc(C)c(NC(=O)c2ccc(-n3nnc4cccnc43)cc2Cl)c(C)c1 ZINC000064896457 222087815 /nfs/dbraw/zinc/08/78/15/222087815.db2.gz JCHKYBKJCOOGMO-UHFFFAOYSA-N 0 0 391.862 4.646 50 0 GJAARN O=C(NCc1cccc(Cl)c1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955806 222089010 /nfs/dbraw/zinc/08/90/10/222089010.db2.gz VKHWCNTVVVQCCG-UHFFFAOYSA-N 0 0 393.849 4.807 50 0 GJAARN Fc1ccc(-c2nnc(-c3nc4ccccc4c(NCc4ccco4)n3)o2)cc1 ZINC000064969927 222090536 /nfs/dbraw/zinc/09/05/36/222090536.db2.gz NMSBEGACIWXRHA-UHFFFAOYSA-N 0 0 387.374 4.691 50 0 GJAARN CCn1cc(-c2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)c2cccnc21 ZINC000065241074 222114537 /nfs/dbraw/zinc/11/45/37/222114537.db2.gz ZDSQPEZMSUZITL-UHFFFAOYSA-N 0 0 380.448 4.880 50 0 GJAARN COc1ccc(-c2noc(C3(NC(=O)c4ccc(C)cc4)CCCCC3)n2)cc1 ZINC000065257869 222118103 /nfs/dbraw/zinc/11/81/03/222118103.db2.gz YDQMKMCNKRDDQL-UHFFFAOYSA-N 0 0 391.471 4.643 50 0 GJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc(Cl)cc1 ZINC000065331324 222124920 /nfs/dbraw/zinc/12/49/20/222124920.db2.gz UIRMCEHNARZOAD-KRWDZBQOSA-N 0 0 381.863 4.789 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000065330707 222125234 /nfs/dbraw/zinc/12/52/34/222125234.db2.gz VQAZZOTTZVYJSL-ZDUSSCGKSA-N 0 0 386.908 4.508 50 0 GJAARN CCCC(=O)Nc1cc2c(cc1OC)NC(=O)C[C@@H]2c1ccc(Cl)s1 ZINC000065381911 222125736 /nfs/dbraw/zinc/12/57/36/222125736.db2.gz UAZPGJYIGVGPQF-NSHDSACASA-N 0 0 378.881 4.623 50 0 GJAARN CCOc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccncc2)cc1CO ZINC000065370718 222126344 /nfs/dbraw/zinc/12/63/44/222126344.db2.gz PBYUSYGQANQXNH-UHFFFAOYSA-N 0 0 385.467 4.551 50 0 GJAARN CCCn1cnnc1Cn1cnc(-c2ccccc2)c1-c1ccccc1OCC ZINC000065417488 222127993 /nfs/dbraw/zinc/12/79/93/222127993.db2.gz YGUQSKOSYIRDRD-UHFFFAOYSA-N 0 0 387.487 4.666 50 0 GJAARN CCOc1ccccc1-c1c(-c2ccccc2)ncn1C[C@H](O)c1cccnc1 ZINC000065404865 222128145 /nfs/dbraw/zinc/12/81/45/222128145.db2.gz TZCOPXGHHLWQSQ-NRFANRHFSA-N 0 0 385.467 4.744 50 0 GJAARN CCOc1cc2c(cc1-c1c(-c3ccccc3)ncn1Cc1n[nH]c(C)n1)CCC2 ZINC000065429127 222130443 /nfs/dbraw/zinc/13/04/43/222130443.db2.gz VLKUABQRKIQRPF-UHFFFAOYSA-N 0 0 399.498 4.579 50 0 GJAARN Cc1ccc(-c2nc(N(C)Cc3ccncc3C)ncc2-c2ccncc2)cc1 ZINC000065426694 222130452 /nfs/dbraw/zinc/13/04/52/222130452.db2.gz LSVXYPRLNABASN-UHFFFAOYSA-N 0 0 381.483 4.854 50 0 GJAARN Cc1cc(C)nc(CCn2cnc(-c3ccccc3)c2-c2cnn(C(C)C)c2)n1 ZINC000065465958 222132382 /nfs/dbraw/zinc/13/23/82/222132382.db2.gz WESPAMNOGJHHEH-UHFFFAOYSA-N 0 0 386.503 4.644 50 0 GJAARN c1csc(CCn2cnc(-c3ccccc3)c2COCc2ccccc2)n1 ZINC000065527831 222132789 /nfs/dbraw/zinc/13/27/89/222132789.db2.gz IXBYIYARZHSHQR-UHFFFAOYSA-N 0 0 375.497 4.966 50 0 GJAARN C[C@H](OC(=O)c1cc2c(c(Cl)c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000065511863 222134145 /nfs/dbraw/zinc/13/41/45/222134145.db2.gz BPHLYKJATWHTGM-VIFPVBQESA-N 0 0 394.761 4.732 50 0 GJAARN C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](c2ccccc2)O1 ZINC000065591442 222135827 /nfs/dbraw/zinc/13/58/27/222135827.db2.gz AZGHNCPCNIGPJW-SUMWQHHRSA-N 0 0 386.904 4.999 50 0 GJAARN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000067142326 222141009 /nfs/dbraw/zinc/14/10/09/222141009.db2.gz MICWABZRHVVJHJ-ZDUSSCGKSA-N 0 0 391.368 4.741 50 0 GJAARN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000066511786 222141094 /nfs/dbraw/zinc/14/10/94/222141094.db2.gz NAGPHARYIUDMLO-QFIPXVFZSA-N 0 0 388.467 4.866 50 0 GJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4)nccn3n2)cc1C ZINC000067289856 222143883 /nfs/dbraw/zinc/14/38/83/222143883.db2.gz LKOUWDBIHJVRSO-UHFFFAOYSA-N 0 0 388.496 4.744 50 0 GJAARN CCc1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2ccccn2)c1 ZINC000067293442 222144337 /nfs/dbraw/zinc/14/43/37/222144337.db2.gz DLYZTMWBKZTTMA-LCUIJRPUSA-N 0 0 399.450 4.884 50 0 GJAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1 ZINC000067298113 222145380 /nfs/dbraw/zinc/14/53/80/222145380.db2.gz VAJXOFMCIUFHQN-PYCFMQQDSA-N 0 0 397.843 4.733 50 0 GJAARN O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(Cl)cc1 ZINC000067350423 222146552 /nfs/dbraw/zinc/14/65/52/222146552.db2.gz FSKDQFNYYQBMKJ-UHFFFAOYSA-N 0 0 381.863 4.979 50 0 GJAARN CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1 ZINC000067341083 222147265 /nfs/dbraw/zinc/14/72/65/222147265.db2.gz FNTBJCMGOISMCY-UHFFFAOYSA-N 0 0 390.534 4.875 50 0 GJAARN O=C(CCn1cnc(-c2ccccc2)c1-c1cc2ccccc2[nH]1)N1CCCC1 ZINC000067725791 222157561 /nfs/dbraw/zinc/15/75/61/222157561.db2.gz YUIUVJVSEUHUJU-UHFFFAOYSA-N 0 0 384.483 4.711 50 0 GJAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 ZINC000067805790 222160712 /nfs/dbraw/zinc/16/07/12/222160712.db2.gz WMMBGWBGUGYVNF-IBGZPJMESA-N 0 0 384.483 4.886 50 0 GJAARN CCCc1nc(C(=O)N2CCC(c3n[nH]cc3-c3ccccc3)CC2)cs1 ZINC000067868205 222164020 /nfs/dbraw/zinc/16/40/20/222164020.db2.gz PZEFTNRKOHFSHG-UHFFFAOYSA-N 0 0 380.517 4.506 50 0 GJAARN Cc1ccsc1-c1nc(CN(C)Cc2nnc(-c3ccccc3)o2)c(C)o1 ZINC000067872325 222164935 /nfs/dbraw/zinc/16/49/35/222164935.db2.gz VPMNPJQSTGSLOU-UHFFFAOYSA-N 0 0 380.473 4.702 50 0 GJAARN CCc1cc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)nc(C)n1 ZINC000067921728 222166517 /nfs/dbraw/zinc/16/65/17/222166517.db2.gz RLRGOWNORBWLKD-UHFFFAOYSA-N 0 0 395.890 4.772 50 0 GJAARN O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@H]1c1ccccc1 ZINC000067954978 222168893 /nfs/dbraw/zinc/16/88/93/222168893.db2.gz YFRMXGKJRUNOIF-KRWDZBQOSA-N 0 0 386.810 4.633 50 0 GJAARN Cc1nc(C(=O)N2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)c(C)o1 ZINC000067965764 222169683 /nfs/dbraw/zinc/16/96/83/222169683.db2.gz IUDZHBJDUTUNLK-UHFFFAOYSA-N 0 0 398.466 4.547 50 0 GJAARN CC(C)c1nc(CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)cs1 ZINC000067975847 222171839 /nfs/dbraw/zinc/17/18/39/222171839.db2.gz NPHRAPAPYNWZQV-UHFFFAOYSA-N 0 0 377.517 4.608 50 0 GJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@@H]1CC=CCC1 ZINC000069240121 222172860 /nfs/dbraw/zinc/17/28/60/222172860.db2.gz STKZSCPWSGKGPY-RTBURBONSA-N 0 0 391.515 4.998 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000069419416 222173147 /nfs/dbraw/zinc/17/31/47/222173147.db2.gz LMYCUZCKDFPHST-OAHLLOKOSA-N 0 0 385.847 4.635 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccnc1SC1CCCC1 ZINC000069950871 222174109 /nfs/dbraw/zinc/17/41/09/222174109.db2.gz QBHRQWIGGDOLGI-IBGZPJMESA-N 0 0 399.560 4.666 50 0 GJAARN Cc1cc(NC(=O)[C@@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)no1 ZINC000069709558 222175302 /nfs/dbraw/zinc/17/53/02/222175302.db2.gz JDFKLAUFDZQBOM-CYBMUJFWSA-N 0 0 378.457 4.699 50 0 GJAARN CCSc1ccccc1C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 ZINC000070932208 222176955 /nfs/dbraw/zinc/17/69/55/222176955.db2.gz ATOOFMBLLSSODG-UHFFFAOYSA-N 0 0 395.528 4.586 50 0 GJAARN CCOc1ccc(O[C@H](C)c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1 ZINC000071890692 222199756 /nfs/dbraw/zinc/19/97/56/222199756.db2.gz BVPOJCLSSFZGCL-GFCCVEGCSA-N 0 0 392.415 4.689 50 0 GJAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000072255973 222218764 /nfs/dbraw/zinc/21/87/64/222218764.db2.gz XWPANRWBIWOVEM-UHFFFAOYSA-N 0 0 397.232 4.541 50 0 GJAARN Cc1csc(C2(NC(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)CCC2)n1 ZINC000072313560 222225257 /nfs/dbraw/zinc/22/52/57/222225257.db2.gz UVLOKFFNABXDOJ-UHFFFAOYSA-N 0 0 398.454 4.737 50 0 GJAARN CCN(Cc1ccccc1)C(=O)CSc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000072331958 222230869 /nfs/dbraw/zinc/23/08/69/222230869.db2.gz DTMDCHFJDXJJTM-UHFFFAOYSA-N 0 0 390.512 4.560 50 0 GJAARN CC(C)CNc1nc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cs1 ZINC000072402328 222254400 /nfs/dbraw/zinc/25/44/00/222254400.db2.gz FXGCKQQQHDNLMJ-UHFFFAOYSA-N 0 0 380.517 4.622 50 0 GJAARN Cc1ccc(Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)nn1 ZINC000072441244 222261343 /nfs/dbraw/zinc/26/13/43/222261343.db2.gz BEARAYZJCSFQEV-UHFFFAOYSA-N 0 0 383.249 4.543 50 0 GJAARN Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3CCO)c3ccccc3n2C)cc1 ZINC000085430429 222323785 /nfs/dbraw/zinc/32/37/85/222323785.db2.gz BLRJHFJWJRSXSJ-RUZDIDTESA-N 0 0 396.490 4.691 50 0 GJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCCN(c2nccs2)C1 ZINC000095503387 222336058 /nfs/dbraw/zinc/33/60/58/222336058.db2.gz JMXQTYWNAYERBI-QGZVFWFLSA-N 0 0 381.476 4.804 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N(CCc1cccs1)Cc1ccco1 ZINC000077183944 222273955 /nfs/dbraw/zinc/27/39/55/222273955.db2.gz ZQYYTMLDIHRBOI-UHFFFAOYSA-N 0 0 378.453 4.881 50 0 GJAARN Cc1nn(-c2ccccn2)c2c1[C@H](c1c(F)cccc1Cl)SCC(=O)N2 ZINC000079474989 222305489 /nfs/dbraw/zinc/30/54/89/222305489.db2.gz INNRLNRBOFZGEW-QGZVFWFLSA-N 0 0 388.855 4.792 50 0 GJAARN Cc1ccccc1Nc1ncc(CNCc2cc(-c3ccccn3)no2)s1 ZINC000082039483 222306366 /nfs/dbraw/zinc/30/63/66/222306366.db2.gz JBJMPTHTMJNNHH-UHFFFAOYSA-N 0 0 377.473 4.535 50 0 GJAARN O=C(CCC1CCN(Cc2cscn2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000095519265 222346410 /nfs/dbraw/zinc/34/64/10/222346410.db2.gz UFOSUFGUHZRRIG-UHFFFAOYSA-N 0 0 381.904 4.567 50 0 GJAARN CCn1ncc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1C(F)(F)F ZINC000095948389 222362241 /nfs/dbraw/zinc/36/22/41/222362241.db2.gz KMLCHFMEJIHNHV-UHFFFAOYSA-N 0 0 394.328 4.501 50 0 GJAARN Cn1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c(C(F)(F)F)n1 ZINC000095948378 222362934 /nfs/dbraw/zinc/36/29/34/222362934.db2.gz DVABMMVAZOBOCP-UHFFFAOYSA-N 0 0 396.372 4.906 50 0 GJAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000095958851 222363963 /nfs/dbraw/zinc/36/39/63/222363963.db2.gz SFYKGFNEIZOLGA-UHFFFAOYSA-N 0 0 396.830 4.609 50 0 GJAARN COc1cccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c1OC ZINC000095951194 222364203 /nfs/dbraw/zinc/36/42/03/222364203.db2.gz DGOGEMGSLNEDRX-UHFFFAOYSA-N 0 0 393.487 4.748 50 0 GJAARN CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(Br)cn1 ZINC000095960734 222365158 /nfs/dbraw/zinc/36/51/58/222365158.db2.gz REAFDOLUQXGZAD-UHFFFAOYSA-N 0 0 392.684 4.574 50 0 GJAARN CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 ZINC000095963909 222365955 /nfs/dbraw/zinc/36/59/55/222365955.db2.gz NUFWFEIHAUUYNQ-SNVBAGLBSA-N 0 0 391.493 4.982 50 0 GJAARN COc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119731 222384265 /nfs/dbraw/zinc/38/42/65/222384265.db2.gz KZKNVQWPWGTMQG-UHFFFAOYSA-N 0 0 391.452 4.650 50 0 GJAARN COc1ccc(NC(=O)N(C/C=C/c2ccccc2)C[C@H]2CCCO2)c(C)c1 ZINC000096167193 222395919 /nfs/dbraw/zinc/39/59/19/222395919.db2.gz ZMLBSJGULMENLL-VMLCMGRWSA-N 0 0 380.488 4.730 50 0 GJAARN COC(=O)c1scc(-c2ccccc2)c1NC(=O)CSc1ccccc1 ZINC000096182296 222396491 /nfs/dbraw/zinc/39/64/91/222396491.db2.gz NBXJBOQJUSOTMG-UHFFFAOYSA-N 0 0 383.494 4.933 50 0 GJAARN Cc1ccc(CNC(=O)COc2ccc3occ(C(=O)c4ccccc4)c3c2)cc1 ZINC000096184205 222396689 /nfs/dbraw/zinc/39/66/89/222396689.db2.gz HSCRFSLMWWRLFC-UHFFFAOYSA-N 0 0 399.446 4.667 50 0 GJAARN CC[C@H](C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096278326 222408159 /nfs/dbraw/zinc/40/81/59/222408159.db2.gz HJPVJDVSFBREDY-UWJYYQICSA-N 0 0 377.488 4.881 50 0 GJAARN O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccc(F)cc1Cl ZINC000096331038 222413725 /nfs/dbraw/zinc/41/37/25/222413725.db2.gz YWHVOWJJOUTKKY-UHFFFAOYSA-N 0 0 379.884 4.550 50 0 GJAARN COc1ccc(-c2c[nH]nc2-c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000096336881 222414754 /nfs/dbraw/zinc/41/47/54/222414754.db2.gz DZRODQQOIFJECG-UHFFFAOYSA-N 0 0 389.249 4.532 50 0 GJAARN CCN(Cc1ccccc1)C(=O)Cc1c2[nH]cccc-2c(=O)n1-c1ccc(C)cc1 ZINC000096386931 222418097 /nfs/dbraw/zinc/41/80/97/222418097.db2.gz KEAYXNQLCFNOIK-QFIPXVFZSA-N 0 0 399.494 4.530 50 0 GJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)oc2C)c1 ZINC000096397236 222418692 /nfs/dbraw/zinc/41/86/92/222418692.db2.gz BABACZLGXZKDMX-UHFFFAOYSA-N 0 0 378.476 4.722 50 0 GJAARN CCc1ccc(C2=Nc3ncnn3[C@H](c3cc(Br)ccc3F)C2)cc1 ZINC000101668083 222474336 /nfs/dbraw/zinc/47/43/36/222474336.db2.gz FOSVNSLAKJXTLM-SFHVURJKSA-N 0 0 399.267 4.798 50 0 aggregator GJAARN C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)c1cc(F)ccc1F ZINC000106587556 222510082 /nfs/dbraw/zinc/51/00/82/222510082.db2.gz YBCSAVLFTBMDPO-JTQLQIEISA-N 0 0 379.819 4.562 50 0 GJAARN Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)C1=COCCO1 ZINC000130276749 222524701 /nfs/dbraw/zinc/52/47/01/222524701.db2.gz UFOOHDMYNJWIGB-UHFFFAOYSA-N 0 0 395.434 4.558 50 0 GJAARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000206762279 222568805 /nfs/dbraw/zinc/56/88/05/222568805.db2.gz LQHLMTVWECGOKO-JWTNVVGKSA-N 0 0 378.497 4.993 50 0 GJAARN O=C(c1cc(-c2ccco2)n[nH]1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206991527 222570427 /nfs/dbraw/zinc/57/04/27/222570427.db2.gz XDDZQXZOZZPMGZ-GOSISDBHSA-N 0 0 387.892 4.644 50 0 GJAARN COc1ccc(-c2ccc(C(=O)N[C@H](C)CC(C)C)s2)c(OC)c1OC ZINC000022646983 518143039 /nfs/dbraw/zinc/14/30/39/518143039.db2.gz UQYGAGQUBHPJPT-CYBMUJFWSA-N 0 0 377.506 4.605 50 0 GJAARN C[C@H]1CCCN(C(=O)CSc2ncnc3scc(-c4ccccc4)c32)C1 ZINC000000933090 518184061 /nfs/dbraw/zinc/18/40/61/518184061.db2.gz IDSYHMHLWNEKFC-AWEZNQCLSA-N 0 0 383.542 4.709 50 0 GJAARN CC(=O)c1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002652143 518343393 /nfs/dbraw/zinc/34/33/93/518343393.db2.gz DPUKGNZNXRXDEF-UHFFFAOYSA-N 0 0 397.471 4.732 50 0 GJAARN CC(=O)C(Sc1ncnc2scc(-c3ccc(Cl)cc3)c21)=C(C)O ZINC000100271277 519360788 /nfs/dbraw/zinc/36/07/88/519360788.db2.gz KHDRDAQZNWCXTI-UHFFFAOYSA-N 0 0 376.890 4.650 50 0 GJAARN O=C(Nc1ccnn1Cc1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000089840910 534429460 /nfs/dbraw/zinc/42/94/60/534429460.db2.gz REDCMFCTQSEHPL-UHFFFAOYSA-N 0 0 396.244 4.692 50 0 GJAARN CCN(CC)c1cc(C)c2cc(NC(=O)COc3cccc(C)c3)ccc2n1 ZINC000004757352 520875995 /nfs/dbraw/zinc/87/59/95/520875995.db2.gz JDPDQYSBRUXTRE-UHFFFAOYSA-N 0 0 377.488 4.715 50 0 GJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)c3cc(C)ccc3C)o2)cc1OC ZINC000008231601 523265746 /nfs/dbraw/zinc/26/57/46/523265746.db2.gz FDDCADHCCVAIHK-CQSZACIVSA-N 0 0 398.484 4.734 50 0 GJAARN O=C(c1ccc(F)cc1Cl)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000090613813 534708292 /nfs/dbraw/zinc/70/82/92/534708292.db2.gz 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528012290 /nfs/dbraw/zinc/01/22/90/528012290.db2.gz ZCACGUICACIGIC-UHFFFAOYSA-N 0 0 399.288 4.595 50 0 GJAARN CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1 ZINC000096119049 528138467 /nfs/dbraw/zinc/13/84/67/528138467.db2.gz QZLNKPICVWQFQF-MRXNPFEDSA-N 0 0 397.500 4.605 50 0 GJAARN CC(C)Oc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 ZINC000008570342 528138595 /nfs/dbraw/zinc/13/85/95/528138595.db2.gz URLAZSUIZBFGSQ-UHFFFAOYSA-N 0 0 393.487 4.965 50 0 GJAARN CC1CCN(C(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)CC1 ZINC000065057816 528223744 /nfs/dbraw/zinc/22/37/44/528223744.db2.gz LQKMXQBNNHSFRU-UHFFFAOYSA-N 0 0 391.446 4.947 50 0 GJAARN CCC[C@H]1CCCN1C(=O)c1csc2c1CCN(Cc1ccc(CC)cn1)C2 ZINC000426497336 528377578 /nfs/dbraw/zinc/37/75/78/528377578.db2.gz YKLYVZTVHKDXAB-IBGZPJMESA-N 0 0 397.588 4.669 50 0 GJAARN CC(C)[C@H](C(=O)Nc1cccc2c1ccn2C(C)C)N1Cc2ccccc2C1=O ZINC000095480845 528929814 /nfs/dbraw/zinc/92/98/14/528929814.db2.gz CZUAEJLYKJJLPY-JOCHJYFZSA-N 0 0 389.499 4.841 50 0 GJAARN CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cc(C)ccc3C)C2)ncn1 ZINC000065242364 535193659 /nfs/dbraw/zinc/19/36/59/535193659.db2.gz WNDRIMUEJNTBFX-LJQANCHMSA-N 0 0 395.551 4.551 50 0 GJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000011592830 560211336 /nfs/dbraw/zinc/21/13/36/560211336.db2.gz PSGAAPLEWMOORI-MUYMAFBUSA-N 0 0 386.532 4.655 50 0 in-vitro GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)o1 ZINC000000656380 570214683 /nfs/dbraw/zinc/21/46/83/570214683.db2.gz QBSNXCKHSQWUEF-UHFFFAOYSA-N 0 0 386.407 4.827 50 0 GJAARN C[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC000000682479 570217233 /nfs/dbraw/zinc/21/72/33/570217233.db2.gz IBGCTMSFAXDDHR-JTQLQIEISA-N 0 0 383.083 4.703 50 0 GJAARN O=C(c1c(F)cccc1Cl)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 ZINC000219189520 570218363 /nfs/dbraw/zinc/21/83/63/570218363.db2.gz QEHFBHLMYCLTIK-QGZVFWFLSA-N 0 0 393.867 4.528 50 0 GJAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccc(F)cc1)c1ccccc1 ZINC000000704075 570218578 /nfs/dbraw/zinc/21/85/78/570218578.db2.gz MVGCYBALYOGUGV-UHFFFAOYSA-N 0 0 398.415 4.519 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1Cl ZINC000004305138 570218551 /nfs/dbraw/zinc/21/85/51/570218551.db2.gz YUTULEYJOSCVLO-SFHVURJKSA-N 0 0 384.838 4.606 50 0 GJAARN Cc1nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c(C)c1C ZINC000000726783 570221165 /nfs/dbraw/zinc/22/11/65/570221165.db2.gz RIRQSMAJQXHOHU-UHFFFAOYSA-N 0 0 390.306 4.819 50 0 GJAARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019827568 570223144 /nfs/dbraw/zinc/22/31/44/570223144.db2.gz XHQJYSCHUQBXDN-LOSJGSFVSA-N 0 0 396.534 4.724 50 0 GJAARN COc1cccc([C@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 ZINC000048273177 570226028 /nfs/dbraw/zinc/22/60/28/570226028.db2.gz SEEAABHEBQSMQL-JOCHJYFZSA-N 0 0 378.472 4.732 50 0 GJAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019880115 570227022 /nfs/dbraw/zinc/22/70/22/570227022.db2.gz VFRGZQJNSXWLTN-UHFFFAOYSA-N 0 0 394.902 4.866 50 0 GJAARN CCC[C@@H](C)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022626907 570227447 /nfs/dbraw/zinc/22/74/47/570227447.db2.gz LAONLOHSAFHWML-QGZVFWFLSA-N 0 0 386.486 4.635 50 0 GJAARN COc1ccc2oc(C)c(C(=O)NCc3ccc(F)cc3C(F)(F)F)c2c1 ZINC000048275864 570229886 /nfs/dbraw/zinc/22/98/86/570229886.db2.gz BOMBABRGZFSSBE-UHFFFAOYSA-N 0 0 381.325 4.838 50 0 GJAARN COc1cc(CNC(=O)CCc2c[nH]c3ccccc23)ccc1OC1CCCC1 ZINC000048281719 570231277 /nfs/dbraw/zinc/23/12/77/570231277.db2.gz QUQLCTRGAMXCER-UHFFFAOYSA-N 0 0 392.499 4.747 50 0 GJAARN CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000044031594 570231554 /nfs/dbraw/zinc/23/15/54/570231554.db2.gz YHUDFHWLXDIVAJ-ZDUSSCGKSA-N 0 0 375.419 4.832 50 0 GJAARN CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816546 570233357 /nfs/dbraw/zinc/23/33/57/570233357.db2.gz ZRZDPLORGRRJMZ-RTBURBONSA-N 0 0 380.879 4.717 50 0 GJAARN CCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816608 570233546 /nfs/dbraw/zinc/23/35/46/570233546.db2.gz VMMMUFRJDBQJJE-ZWKOTPCHSA-N 0 0 384.842 4.548 50 0 GJAARN CC(C)C(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000004816641 570233729 /nfs/dbraw/zinc/23/37/29/570233729.db2.gz AJRPVOILXHBQOX-MOPGFXCFSA-N 0 0 380.879 4.655 50 0 GJAARN c1ccc(Cc2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048299409 570233832 /nfs/dbraw/zinc/23/38/32/570233832.db2.gz BPBGZZRZFSIAQB-HSZRJFAPSA-N 0 0 381.479 4.808 50 0 GJAARN O=C(COc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000023308771 570234370 /nfs/dbraw/zinc/23/43/70/570234370.db2.gz HVPFEBNFVPXIDZ-QHCPKHFHSA-N 0 0 377.871 4.893 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)NC[C@H]2Cc3ccccc3O2)cc1 ZINC000048301773 570234371 /nfs/dbraw/zinc/23/43/71/570234371.db2.gz SHAOGAQMXMTXTQ-LJQANCHMSA-N 0 0 390.439 4.613 50 0 GJAARN Cc1ccccc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023310807 570235716 /nfs/dbraw/zinc/23/57/16/570235716.db2.gz NWSARMIIILJELM-XMMPIXPASA-N 0 0 388.486 4.682 50 0 GJAARN COc1cccc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1 ZINC000048313141 570236839 /nfs/dbraw/zinc/23/68/39/570236839.db2.gz MHKJNGOEAQBXEP-UHFFFAOYSA-N 0 0 395.478 4.709 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023312140 570237317 /nfs/dbraw/zinc/23/73/17/570237317.db2.gz OOJLZPQNGCTAGL-SBUREZEXSA-N 0 0 375.443 4.767 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1OC ZINC000006082125 570238451 /nfs/dbraw/zinc/23/84/51/570238451.db2.gz MKOPKTTXCYJJDX-OAHLLOKOSA-N 0 0 396.516 4.520 50 0 GJAARN Cc1ccc2nc(SCc3csc(-c4cccs4)n3)n(C)c(=O)c2c1 ZINC000048345507 570240740 /nfs/dbraw/zinc/24/07/40/570240740.db2.gz CUZFUIKNWBELHC-UHFFFAOYSA-N 0 0 385.539 4.719 50 0 GJAARN Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2c1 ZINC000023318149 570241893 /nfs/dbraw/zinc/24/18/93/570241893.db2.gz NTJWMIKHRXPQHK-UHFFFAOYSA-N 0 0 396.556 4.970 50 0 GJAARN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@H]3C(=O)c2ccc(Cl)cc2)c1 ZINC000035170956 570244104 /nfs/dbraw/zinc/24/41/04/570244104.db2.gz HDNZYWPHEAXHLC-GOSISDBHSA-N 0 0 393.874 4.705 50 0 GJAARN Cc1cc(C)nc(Nc2cccc(NC(=O)COc3ccc(Cl)cc3)c2)n1 ZINC000011640342 570244476 /nfs/dbraw/zinc/24/44/76/570244476.db2.gz PPAKFRXXHJPJHQ-UHFFFAOYSA-N 0 0 382.851 4.508 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000001130951 570245410 /nfs/dbraw/zinc/24/54/10/570245410.db2.gz VOLJTBMYRPEWKY-UHFFFAOYSA-N 0 0 382.479 4.614 50 0 GJAARN CCn1c(=S)n(CN(C2CC2)[C@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000048365734 570245975 /nfs/dbraw/zinc/24/59/75/570245975.db2.gz SYUQHXRUDKFILL-FQEVSTJZSA-N 0 0 391.544 4.605 50 0 GJAARN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000011647468 570246210 /nfs/dbraw/zinc/24/62/10/570246210.db2.gz NAUNKMKKBFCRDW-UHFFFAOYSA-N 0 0 380.517 4.738 50 0 GJAARN COc1cc(OC)cc(-c2nnc(SCCCc3nc4ccccc4o3)o2)c1 ZINC000048366908 570246389 /nfs/dbraw/zinc/24/63/89/570246389.db2.gz VRRGFIJVNLARHH-UHFFFAOYSA-N 0 0 397.456 4.620 50 0 GJAARN C[C@H](Sc1nnc2ccccn21)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006114727 570248449 /nfs/dbraw/zinc/24/84/49/570248449.db2.gz DBMGKVMWWAGYSU-HNNXBMFYSA-N 0 0 390.468 4.641 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000001146116 570248503 /nfs/dbraw/zinc/24/85/03/570248503.db2.gz ILONSRGBFKXDMD-UHFFFAOYSA-N 0 0 385.510 4.788 50 0 GJAARN COc1cc([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000020228291 570248998 /nfs/dbraw/zinc/24/89/98/570248998.db2.gz LOKJUZWMHIWIBX-SRVWHDFXSA-N 0 0 398.455 4.587 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000001152708 570249098 /nfs/dbraw/zinc/24/90/98/570249098.db2.gz HWCRNXINXVKTJG-UHFFFAOYSA-N 0 0 378.284 4.617 50 0 GJAARN COc1ccc(-c2noc(COc3cc(C)c(Br)c(C)c3)n2)cc1 ZINC000001159751 570251407 /nfs/dbraw/zinc/25/14/07/570251407.db2.gz GJSAKVZMKYRCFB-UHFFFAOYSA-N 0 0 389.249 4.704 50 0 GJAARN Cc1sc2nc(SCc3ccccc3Br)n(C)c(=O)c2c1C ZINC000020343392 570252632 /nfs/dbraw/zinc/25/26/32/570252632.db2.gz XNUVWHIVRPMXOS-UHFFFAOYSA-N 0 0 395.347 4.667 50 0 GJAARN Cc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)c1 ZINC000001509625 570253518 /nfs/dbraw/zinc/25/35/18/570253518.db2.gz BOYSGTNUJJKBNL-QFIPXVFZSA-N 0 0 390.870 4.832 50 0 GJAARN O=C(c1ccc(F)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421509 570255351 /nfs/dbraw/zinc/25/53/51/570255351.db2.gz BWRVCRLJMJUGSS-UHFFFAOYSA-N 0 0 392.449 4.512 50 0 GJAARN CCCC(CCC)[NH2+]Cc1cnc(SC)nc1N1CCc2ccccc2C1 ZINC000022629693 570268190 /nfs/dbraw/zinc/26/81/90/570268190.db2.gz UPOKFISMFLSVQK-UHFFFAOYSA-N 0 0 384.593 4.820 50 0 GJAARN CCCCOC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000001801398 570268674 /nfs/dbraw/zinc/26/86/74/570268674.db2.gz OAKGZOHUUYISKJ-UHFFFAOYSA-N 0 0 376.250 4.658 50 0 GJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000071889871 570271688 /nfs/dbraw/zinc/27/16/88/570271688.db2.gz GTGYCRJZLSDXAB-CQSZACIVSA-N 0 0 386.398 4.584 50 0 GJAARN C[C@H]1CCC2=C(C3(CC2)SCCS3)[C@]1(C)[C@@H](O)CCC1OCCCO1 ZINC000071786198 570272163 /nfs/dbraw/zinc/27/21/63/570272163.db2.gz OMMSCPDCVWIERB-QOKNQOGYSA-N 0 0 384.607 4.593 50 0 GJAARN COC(=O)[C@]1(Cc2ccccc2)[C@@H]2[C@@H]3CCC4=C5[C@@H]6CC[C@@H]7[C@@H]6[C@@H]6[C@@H]5[C@H]([C@@H]43)[C@@H]2[C@H]6[C@H]71 ZINC000257358266 570273557 /nfs/dbraw/zinc/27/35/57/570273557.db2.gz SMXBRNWVWVAOTE-VSCZEPKRSA-N 0 0 398.546 4.749 50 0 GJAARN CCCOc1cccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 ZINC000002081174 570273651 /nfs/dbraw/zinc/27/36/51/570273651.db2.gz UKHVKFNPDHQPIN-IUXPMGMMSA-N 0 0 377.774 4.752 50 0 GJAARN Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)cc1C ZINC000002079620 570273733 /nfs/dbraw/zinc/27/37/33/570273733.db2.gz UQPXJBVSRQMMNT-UHFFFAOYSA-N 0 0 389.451 4.601 50 0 GJAARN Fc1cc(F)cc(Cc2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)c1 ZINC000020717241 570275827 /nfs/dbraw/zinc/27/58/27/570275827.db2.gz LTTCNRZBOGKENI-ZZXKWVIFSA-N 0 0 388.830 4.879 50 0 GJAARN COc1ccccc1SCC(=O)N(C)c1ccc(Br)cc1C ZINC000121251666 570275881 /nfs/dbraw/zinc/27/58/81/570275881.db2.gz VUJYVMJUSVQPAY-UHFFFAOYSA-N 0 0 380.307 4.521 50 0 GJAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000006140460 570276515 /nfs/dbraw/zinc/27/65/15/570276515.db2.gz SREZLLZNSHLWBC-UHFFFAOYSA-N 0 0 393.299 4.520 50 0 GJAARN O=S(=O)(Cc1cc2c(o1)c(F)c(F)c(F)c2F)c1ccc(Cl)cc1 ZINC000002155419 570276611 /nfs/dbraw/zinc/27/66/11/570276611.db2.gz UMXLCQPYPLZOQF-UHFFFAOYSA-N 0 0 378.730 4.617 50 0 GJAARN COc1ccc2c(CC(=O)OCc3csc(-c4ccccc4)n3)coc2c1 ZINC000006156424 570278167 /nfs/dbraw/zinc/27/81/67/570278167.db2.gz SOFRCBWGCCSCMP-UHFFFAOYSA-N 0 0 379.437 4.851 50 0 GJAARN CCCSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000002187906 570278166 /nfs/dbraw/zinc/27/81/66/570278166.db2.gz GCYOEQVFAZJWRG-QFQMRYFISA-N 0 0 376.485 4.885 50 0 GJAARN COc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 ZINC000002189045 570278256 /nfs/dbraw/zinc/27/82/56/570278256.db2.gz MNGCYDLCKBXSBD-NRFANRHFSA-N 0 0 377.469 4.685 50 0 aggregator GJAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002301706 570281879 /nfs/dbraw/zinc/28/18/79/570281879.db2.gz DNWLTSAILFUQMW-UHFFFAOYSA-N 0 0 386.588 4.809 50 0 GJAARN COC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002310676 570282320 /nfs/dbraw/zinc/28/23/20/570282320.db2.gz JHECYDZWEHWATR-UHFFFAOYSA-N 0 0 382.243 4.578 50 0 GJAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000002339978 570283258 /nfs/dbraw/zinc/28/32/58/570283258.db2.gz NWHPCYPBWLDGBW-QHCPKHFHSA-N 0 0 388.854 4.604 50 0 GJAARN CCc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1 ZINC000002393445 570285677 /nfs/dbraw/zinc/28/56/77/570285677.db2.gz IIIUODMAMXAVRP-UHFFFAOYSA-N 0 0 394.529 4.662 50 0 aggregator GJAARN Cc1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c(C)n1-c1cccnc1 ZINC000072009661 570285717 /nfs/dbraw/zinc/28/57/17/570285717.db2.gz VNAFPMZOSZFKKH-UHFFFAOYSA-N 0 0 391.368 4.577 50 0 GJAARN CCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000020938943 570285766 /nfs/dbraw/zinc/28/57/66/570285766.db2.gz VDLKMEZDFXKRKX-JOCHJYFZSA-N 0 0 377.488 4.552 50 0 GJAARN Clc1cccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 ZINC000002397036 570285951 /nfs/dbraw/zinc/28/59/51/570285951.db2.gz LONCMFADUMGGCG-UHFFFAOYSA-N 0 0 382.876 4.927 50 0 GJAARN O=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000002448398 570287556 /nfs/dbraw/zinc/28/75/56/570287556.db2.gz SBODAHJJNSANRY-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000012902630 570287812 /nfs/dbraw/zinc/28/78/12/570287812.db2.gz WBLSQKSPWCHTJU-UHFFFAOYSA-N 0 0 386.377 4.501 50 0 GJAARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000002465524 570287942 /nfs/dbraw/zinc/28/79/42/570287942.db2.gz ARQSZUGDNNKAAW-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN Cc1ccc([C@H]2CCCN2C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)cc1 ZINC000021150713 570288715 /nfs/dbraw/zinc/28/87/15/570288715.db2.gz SJCGVJAZVGPGRM-GOSISDBHSA-N 0 0 396.441 4.830 50 0 GJAARN COC(=O)c1cc(C(=O)c2cccc3ccccc32)n2cnc3ccccc3c12 ZINC000002529406 570289903 /nfs/dbraw/zinc/28/99/03/570289903.db2.gz BZSIYEKCGNKYDR-UHFFFAOYSA-N 0 0 380.403 4.658 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2c1ccc1cc(OC)ccc12 ZINC000002532675 570290019 /nfs/dbraw/zinc/29/00/19/570290019.db2.gz HFSQTYUJSARKKG-UHFFFAOYSA-N 0 0 387.435 4.817 50 0 GJAARN Cc1cccc(C(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)c1 ZINC000000683225 570291036 /nfs/dbraw/zinc/29/10/36/570291036.db2.gz JMQOUDUPGIAGCO-UHFFFAOYSA-N 0 0 392.886 4.873 50 0 GJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2Cc2ccccc2)c1 ZINC000012911530 570291385 /nfs/dbraw/zinc/29/13/85/570291385.db2.gz XYRXXORWNTWMLZ-UHFFFAOYSA-N 0 0 386.495 4.605 50 0 GJAARN C[C@@H](Nc1ncnc2scc(-c3ccccc3)c21)[C@H](O)c1ccc(O)cc1 ZINC000012913311 570291762 /nfs/dbraw/zinc/29/17/62/570291762.db2.gz XOVOKWMGJCUAOS-YJYMSZOUSA-N 0 0 377.469 4.598 50 0 GJAARN Nc1c(-c2ccc(Br)cc2)cnn1-c1ccc(Br)cc1 ZINC000215851895 570292310 /nfs/dbraw/zinc/29/23/10/570292310.db2.gz GBRCGBAHSOTRFJ-UHFFFAOYSA-N 0 0 393.082 4.647 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1 ZINC000002654992 570293158 /nfs/dbraw/zinc/29/31/58/570293158.db2.gz UFHNXLWQMCXVMA-UHFFFAOYSA-N 0 0 387.798 4.653 50 0 GJAARN COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002715125 570295775 /nfs/dbraw/zinc/29/57/75/570295775.db2.gz ICLDCYUKENCFMH-UHFFFAOYSA-N 0 0 378.863 4.799 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3F)n2)cc1 ZINC000021792105 570295993 /nfs/dbraw/zinc/29/59/93/570295993.db2.gz QNDZGNOBNMECGC-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000021800685 570296258 /nfs/dbraw/zinc/29/62/58/570296258.db2.gz DSRMLMYFZKAXHR-UHFFFAOYSA-N 0 0 385.851 4.839 50 0 GJAARN O=C(NCc1ccco1)c1cccc(COc2ccccc2Br)c1 ZINC000002750288 570298257 /nfs/dbraw/zinc/29/82/57/570298257.db2.gz SFKONDVECOQXNP-UHFFFAOYSA-N 0 0 386.245 4.551 50 0 GJAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)C2CCCC2)cc1 ZINC000034680118 570299092 /nfs/dbraw/zinc/29/90/92/570299092.db2.gz RDSCXVYKNIXPAE-UHFFFAOYSA-N 0 0 392.543 4.787 50 0 GJAARN CCc1c(C)sc(NC(=O)COc2ccccc2C)c1C(=O)OC(C)C ZINC000002764477 570299390 /nfs/dbraw/zinc/29/93/90/570299390.db2.gz OQAYBVFFVANIJC-UHFFFAOYSA-N 0 0 375.490 4.510 50 0 GJAARN O=C(c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1)N1CCCC1 ZINC000034711719 570303524 /nfs/dbraw/zinc/30/35/24/570303524.db2.gz JZVGJLQJWFJYTF-UHFFFAOYSA-N 0 0 382.460 4.764 50 0 GJAARN CCOc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ccc1OC(F)F ZINC000010814102 570303608 /nfs/dbraw/zinc/30/36/08/570303608.db2.gz ZIFWLXYVPFRAGK-UHFFFAOYSA-N 0 0 398.409 4.929 50 0 GJAARN CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3)cc2F)n1 ZINC000034713464 570303828 /nfs/dbraw/zinc/30/38/28/570303828.db2.gz HMBYJSPPPWBTNT-UHFFFAOYSA-N 0 0 390.867 4.931 50 0 GJAARN O=C(CSc1ccc(Cl)cn1)Nc1c(F)cc(F)cc1Br ZINC000119808682 570304257 /nfs/dbraw/zinc/30/42/57/570304257.db2.gz SEODRPMGULCYDB-UHFFFAOYSA-N 0 0 393.640 4.507 50 0 GJAARN COc1ccc(OCc2ccc(C)cc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 ZINC000002815238 570304452 /nfs/dbraw/zinc/30/44/52/570304452.db2.gz FXYGVCXSBPZMRW-PXLXIMEGSA-N 0 0 399.446 4.927 50 0 GJAARN Cc1ccc(NC(=O)CCCC(=O)O[C@H](C)C(=O)c2ccccc2)cc1Cl ZINC000002817945 570304757 /nfs/dbraw/zinc/30/47/57/570304757.db2.gz HRJVDAFHBKDATR-OAHLLOKOSA-N 0 0 387.863 4.572 50 0 GJAARN CC(=O)Nc1ccc(-c2nc3ccc(NC(C)=O)cc3c(-c3ccccc3)n2)cc1 ZINC000002819984 570305035 /nfs/dbraw/zinc/30/50/35/570305035.db2.gz DLJHAFOBTOKAIW-UHFFFAOYSA-N 0 0 396.450 4.881 50 0 GJAARN CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000002842993 570307249 /nfs/dbraw/zinc/30/72/49/570307249.db2.gz AAUKGQWLCRGRAW-SJORKVTESA-N 0 0 399.292 4.586 50 0 GJAARN CCCOc1ccccc1/C=C1\N=C(c2ccccc2Br)OC1=O ZINC000002849904 570308358 /nfs/dbraw/zinc/30/83/58/570308358.db2.gz OONPRRUMNBQUFN-VBKFSLOCSA-N 0 0 386.245 4.582 50 0 GJAARN CSc1ccc(Cl)c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000024828815 570309367 /nfs/dbraw/zinc/30/93/67/570309367.db2.gz HEHLXOKGVDSYQV-UHFFFAOYSA-N 0 0 385.920 4.958 50 0 GJAARN FC(F)(F)c1ccccc1NC(=S)Nc1ccc(Br)cn1 ZINC000002858177 570310451 /nfs/dbraw/zinc/31/04/51/570310451.db2.gz KTUIHAJIUNBKHD-UHFFFAOYSA-N 0 0 376.201 4.672 50 0 GJAARN O=Cc1cn(CC(=O)Nc2ccc(Br)cc2Cl)c2ccccc12 ZINC000002860597 570311124 /nfs/dbraw/zinc/31/11/24/570311124.db2.gz NUZVLSATWBPFQB-UHFFFAOYSA-N 0 0 391.652 4.508 50 0 GJAARN COc1ccc(C2(C(=O)NCc3ccc(OC(C)C)cc3)CCCC2)cc1OC ZINC000002861896 570311660 /nfs/dbraw/zinc/31/16/60/570311660.db2.gz AEXZEZCZWRJUDN-UHFFFAOYSA-N 0 0 397.515 4.619 50 0 GJAARN COc1ccc2c(c1)-c1sc(C(=O)NCc3ccc(F)c(F)c3)cc1CC2 ZINC000023329080 570312165 /nfs/dbraw/zinc/31/21/65/570312165.db2.gz DDFJRPYGYXLEJF-UHFFFAOYSA-N 0 0 385.435 4.731 50 0 GJAARN CC(C)(C)OC(=O)N1CCC2(CCc3ccc(Br)cc3O2)CC1 ZINC000217039277 570312420 /nfs/dbraw/zinc/31/24/20/570312420.db2.gz PBXPWRSSBXSKPZ-UHFFFAOYSA-N 0 0 382.298 4.544 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000002868381 570313219 /nfs/dbraw/zinc/31/32/19/570313219.db2.gz FQWRQMKXHAJBEC-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN CCOc1ccccc1-c1cc(C(=O)n2cccn2)c2cc(Cl)ccc2n1 ZINC000002867883 570313251 /nfs/dbraw/zinc/31/32/51/570313251.db2.gz OIKCBDGSMCCGIE-UHFFFAOYSA-N 0 0 377.831 4.839 50 0 GJAARN COCc1cc(C)nc2sc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(N)c21 ZINC000002873111 570314125 /nfs/dbraw/zinc/31/41/25/570314125.db2.gz KIMTZULVZAGRQT-UHFFFAOYSA-N 0 0 396.299 4.892 50 0 GJAARN COC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000002880051 570315612 /nfs/dbraw/zinc/31/56/12/570315612.db2.gz XDOONLGEUOGHSY-UHFFFAOYSA-N 0 0 384.284 4.652 50 0 GJAARN CC(C)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000002879898 570315644 /nfs/dbraw/zinc/31/56/44/570315644.db2.gz DYDPSRSANPNWOY-UHFFFAOYSA-N 0 0 378.472 4.605 50 0 GJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1nc2ccccc2s1 ZINC000012943622 570316291 /nfs/dbraw/zinc/31/62/91/570316291.db2.gz WSKPYSBGYVKCFN-LLVKDONJSA-N 0 0 377.872 4.548 50 0 GJAARN CC[C@H](Oc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000002891224 570317122 /nfs/dbraw/zinc/31/71/22/570317122.db2.gz CNQWQVVAYOEEPJ-XZOQPEGZSA-N 0 0 375.468 4.758 50 0 GJAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccccc3)C1[C@@H](c1cccs1)O2 ZINC000002917710 570318021 /nfs/dbraw/zinc/31/80/21/570318021.db2.gz JGGPXVCKZZGQKH-FGZHOGPDSA-N 0 0 398.491 4.861 50 0 GJAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccccc3)C1[C@@H](c1cccs1)O2 ZINC000002917714 570318110 /nfs/dbraw/zinc/31/81/10/570318110.db2.gz JGGPXVCKZZGQKH-FCHUYYIVSA-N 0 0 398.491 4.861 50 0 GJAARN COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000002916099 570318114 /nfs/dbraw/zinc/31/81/14/570318114.db2.gz ORFIAEQJALGVSM-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN CSc1ccc(Cl)c(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000010544497 570318209 /nfs/dbraw/zinc/31/82/09/570318209.db2.gz NBYGUCQJQFSNNM-ZDUSSCGKSA-N 0 0 385.920 4.958 50 0 GJAARN CC(C)=C[C@H]1[C@H](C(=O)NC2(C(=O)Nc3ccccc3C)CCCCC2)C1(C)C ZINC000075284110 570322364 /nfs/dbraw/zinc/32/23/64/570322364.db2.gz NTXMVUPEDHLFHD-AZUAARDMSA-N 0 0 382.548 4.991 50 0 GJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1Cl ZINC000002993326 570324251 /nfs/dbraw/zinc/32/42/51/570324251.db2.gz GFZKYBPOLUXPPZ-UHFFFAOYSA-N 0 0 398.875 4.705 50 0 GJAARN O=C(/C=C/c1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002993273 570324312 /nfs/dbraw/zinc/32/43/12/570324312.db2.gz NXLRXVYSTZWTJS-CMDGGOBGSA-N 0 0 394.824 4.721 50 0 GJAARN Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002995671 570324609 /nfs/dbraw/zinc/32/46/09/570324609.db2.gz PRZBGHNHEJNYNM-UHFFFAOYSA-N 0 0 392.432 4.536 50 0 GJAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000022689378 570324622 /nfs/dbraw/zinc/32/46/22/570324622.db2.gz YGCZAHUSODALFN-INIZCTEOSA-N 0 0 378.472 4.622 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1C[C@H](C)C[C@@H](C)C1 ZINC000006201507 570327701 /nfs/dbraw/zinc/32/77/01/570327701.db2.gz ZSPYWLCKTUGBGZ-ZIAGYGMSSA-N 0 0 388.558 4.876 50 0 GJAARN COc1ccc(-c2cc(NC(=O)c3ccc(NC(C)=O)s3)ccc2OC)cc1 ZINC000010865787 570330507 /nfs/dbraw/zinc/33/05/07/570330507.db2.gz CRCNKUURAKEIBB-UHFFFAOYSA-N 0 0 396.468 4.643 50 0 GJAARN Cc1ccc(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)cc1 ZINC000032947957 570330570 /nfs/dbraw/zinc/33/05/70/570330570.db2.gz LYXFTYJDCBGWMO-UHFFFAOYSA-N 0 0 388.290 4.771 50 0 GJAARN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000003192130 570332057 /nfs/dbraw/zinc/33/20/57/570332057.db2.gz NODXLNHCPGPIBR-UHFFFAOYSA-N 0 0 381.078 4.557 50 0 GJAARN Cc1ccccc1-c1noc(COC(=O)CCCc2c[nH]c3ccccc23)n1 ZINC000007339377 570332729 /nfs/dbraw/zinc/33/27/29/570332729.db2.gz OYZPZXVMZPHCHV-UHFFFAOYSA-N 0 0 375.428 4.592 50 0 GJAARN CCCCCNC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833458 570335459 /nfs/dbraw/zinc/33/54/59/570335459.db2.gz BVSFVDPWYMFFTG-UHFFFAOYSA-N 0 0 382.483 4.753 50 0 GJAARN O=C(c1cn2c(n1)CC[C@H](c1ccccc1)C2)N1CCC(Cc2ccccc2)CC1 ZINC000034839995 570335950 /nfs/dbraw/zinc/33/59/50/570335950.db2.gz JDBLXBKYCOIBEQ-QHCPKHFHSA-N 0 0 399.538 4.708 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(OC)c2)cc1 ZINC000034795950 570337701 /nfs/dbraw/zinc/33/77/01/570337701.db2.gz YUKOJMSIZFNGAI-UHFFFAOYSA-N 0 0 379.460 4.545 50 0 GJAARN COc1cccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cc(F)cc(F)c2)c1 ZINC000034796208 570337792 /nfs/dbraw/zinc/33/77/92/570337792.db2.gz RUJCFYMHIOPRMZ-UHFFFAOYSA-N 0 0 385.414 4.814 50 0 GJAARN CC(C)n1c2ccccc2nc1N1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000034907149 570339378 /nfs/dbraw/zinc/33/93/78/570339378.db2.gz IFVSTLQGCIRYMZ-UHFFFAOYSA-N 0 0 382.552 4.673 50 0 GJAARN CCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)nn1-c1ccc(OC)cc1 ZINC000034907345 570339818 /nfs/dbraw/zinc/33/98/18/570339818.db2.gz PEAGUTGWBUKKOA-UHFFFAOYSA-N 0 0 389.377 4.714 50 0 GJAARN COc1ccc2oc(-c3noc(-c4cncc(Br)c4)n3)c(C)c2c1 ZINC000035527548 570341442 /nfs/dbraw/zinc/34/14/42/570341442.db2.gz CNQKOPQNSBBZDN-UHFFFAOYSA-N 0 0 386.205 4.624 50 0 GJAARN O=C(NCc1cccc(Cl)c1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000035326954 570341564 /nfs/dbraw/zinc/34/15/64/570341564.db2.gz YCMWBJIOYXBKQH-UHFFFAOYSA-N 0 0 380.753 4.944 50 0 GJAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000053782694 570341895 /nfs/dbraw/zinc/34/18/95/570341895.db2.gz HUXKFQABAOXCLA-LJQANCHMSA-N 0 0 382.460 4.616 50 0 GJAARN O=C(Nc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000023054911 570342099 /nfs/dbraw/zinc/34/20/99/570342099.db2.gz ZFDARWGDVMDZKG-OLZOCXBDSA-N 0 0 396.434 4.851 50 0 GJAARN CCn1nc(C(=O)NCc2ccccc2F)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902073 570343664 /nfs/dbraw/zinc/34/36/64/570343664.db2.gz DNJFBTJXGSYHTH-UHFFFAOYSA-N 0 0 379.479 4.937 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1c(-c2ccc(F)c(F)c2)nc2ccccn21 ZINC000034914939 570344041 /nfs/dbraw/zinc/34/40/41/570344041.db2.gz UKKODLLXHJIADC-UHFFFAOYSA-N 0 0 381.357 4.600 50 0 GJAARN COc1ccccc1OCC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003383384 570344078 /nfs/dbraw/zinc/34/40/78/570344078.db2.gz QROJKAQRBGXZJF-UHFFFAOYSA-N 0 0 377.396 4.621 50 0 GJAARN Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)Cc2ccc3c(c2)OCO3)c1 ZINC000032949019 570344178 /nfs/dbraw/zinc/34/41/78/570344178.db2.gz AVEDXALVNAKVSU-OAQYLSRUSA-N 0 0 388.467 4.699 50 0 GJAARN Cc1ccc2ncn(C3CCN(C(=O)[C@@H](c4ccccc4)C(C)C)CC3)c2c1 ZINC000034915428 570344232 /nfs/dbraw/zinc/34/42/32/570344232.db2.gz KQVUPRSDDRMGQM-HSZRJFAPSA-N 0 0 375.516 4.948 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000023129841 570345651 /nfs/dbraw/zinc/34/56/51/570345651.db2.gz FQPNSEHHOMCZDP-OAHLLOKOSA-N 0 0 387.405 4.677 50 0 GJAARN COc1ccccc1-c1cc(CN(C(=O)Nc2cccc(C)c2)C2CC2)no1 ZINC000034922399 570345652 /nfs/dbraw/zinc/34/56/52/570345652.db2.gz DXXLPADHXMTILQ-UHFFFAOYSA-N 0 0 377.444 4.855 50 0 GJAARN CN(Cc1csc(-c2cccs2)n1)Cc1cnc(N2CCCC2)s1 ZINC000219016641 570345919 /nfs/dbraw/zinc/34/59/19/570345919.db2.gz YDTNTBGAHJWTAK-UHFFFAOYSA-N 0 0 376.576 4.560 50 0 GJAARN CCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2[C@H](C)CC)cc1 ZINC000022639384 570347843 /nfs/dbraw/zinc/34/78/43/570347843.db2.gz BLIBQXDBFDYYMH-QGZVFWFLSA-N 0 0 399.535 4.825 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645334 570349306 /nfs/dbraw/zinc/34/93/06/570349306.db2.gz GEXHKHVSJFFFFX-ZDUSSCGKSA-N 0 0 388.920 4.507 50 0 GJAARN COc1ccccc1/C=C/CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003682048 570350292 /nfs/dbraw/zinc/35/02/92/570350292.db2.gz KQUFEOVXTXCHFF-FNORWQNLSA-N 0 0 376.422 4.549 50 0 GJAARN Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccccc1F ZINC000035400584 570350898 /nfs/dbraw/zinc/35/08/98/570350898.db2.gz SPGUMTKAKAQKPH-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN Fc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1Br ZINC000055543745 570350989 /nfs/dbraw/zinc/35/09/89/570350989.db2.gz ZPMXMUUQZYKBDJ-UHFFFAOYSA-N 0 0 383.692 4.564 50 0 GJAARN Cc1nn(CCNC(=O)C2(c3cccs3)CCCC2)c(C)c1-c1ccsc1 ZINC000575614705 570352209 /nfs/dbraw/zinc/35/22/09/570352209.db2.gz BSXKTPRWNMARMP-UHFFFAOYSA-N 0 0 399.585 4.918 50 0 GJAARN O=C(N1CC[C@H](n2cnc3ccccc32)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575615208 570353498 /nfs/dbraw/zinc/35/34/98/570353498.db2.gz CCLUKYVPNLXLCT-IBGZPJMESA-N 0 0 393.918 4.975 50 0 GJAARN O=C(C1CCOCC1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000023272974 570353705 /nfs/dbraw/zinc/35/37/05/570353705.db2.gz QXKJZCDORMGRFT-UHFFFAOYSA-N 0 0 392.524 4.812 50 0 GJAARN COc1cc(Br)c(/C=C/c2ccc3cccc(O)c3n2)cc1OC ZINC000004003826 570354084 /nfs/dbraw/zinc/35/40/84/570354084.db2.gz SUSANMYHNRVLDN-VQHVLOKHSA-N 0 0 386.245 4.891 50 0 GJAARN Cc1nnc(-c2cn(CC(=O)Nc3ccc(C)cc3Cl)c3ccccc23)o1 ZINC000035423130 570354781 /nfs/dbraw/zinc/35/47/81/570354781.db2.gz AQXIPIWVIJCPCV-UHFFFAOYSA-N 0 0 380.835 4.600 50 0 GJAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2ncsc2c1 ZINC000008076129 570355702 /nfs/dbraw/zinc/35/57/02/570355702.db2.gz YQYWMRKKFYOTJE-UHFFFAOYSA-N 0 0 384.511 4.692 50 0 GJAARN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc(Br)c1 ZINC000004072140 570356650 /nfs/dbraw/zinc/35/66/50/570356650.db2.gz ZKJGMWXEJGLFDY-UHFFFAOYSA-N 0 0 394.681 4.873 50 0 GJAARN COc1ccccc1NC(=O)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000035429796 570358020 /nfs/dbraw/zinc/35/80/20/570358020.db2.gz ULCAUAKYYNFRCS-UHFFFAOYSA-N 0 0 384.439 4.943 50 0 GJAARN Cc1ccc(S(=O)(=O)Oc2c3c(ccc2C)[C@@H]2c4ccccc4C[C@H]2N3)cc1 ZINC000004114311 570358039 /nfs/dbraw/zinc/35/80/39/570358039.db2.gz DLDDWBXKFOARQU-RTWAWAEBSA-N 0 0 391.492 4.553 50 0 GJAARN CCN(CC)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004116576 570358145 /nfs/dbraw/zinc/35/81/45/570358145.db2.gz KVYVWPNIQOKEJS-UHFFFAOYSA-N 0 0 385.577 4.562 50 0 GJAARN COc1c(Cl)cc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl ZINC000004122569 570358597 /nfs/dbraw/zinc/35/85/97/570358597.db2.gz NLHBZNVKYJCKRV-UHFFFAOYSA-N 0 0 390.064 4.720 50 0 GJAARN CCc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035446644 570360209 /nfs/dbraw/zinc/36/02/09/570360209.db2.gz YPTJEYQDGANKNG-UHFFFAOYSA-N 0 0 386.499 4.988 50 0 biogenic GJAARN COc1ccc2nc3sc(C(=O)NCCc4cccc(C)c4)cc3cc2c1 ZINC000004901192 570360233 /nfs/dbraw/zinc/36/02/33/570360233.db2.gz QLCUKKNQLWJZKE-UHFFFAOYSA-N 0 0 376.481 4.739 50 0 GJAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1)NCCc1ccccn1 ZINC000035370886 570361262 /nfs/dbraw/zinc/36/12/62/570361262.db2.gz RLTIDHYWMKQAOI-NRFANRHFSA-N 0 0 387.458 4.583 50 0 GJAARN CC(=O)NCc1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000008208624 570362354 /nfs/dbraw/zinc/36/23/54/570362354.db2.gz IVJWGYJLYJQXAJ-UHFFFAOYSA-N 0 0 375.856 4.982 50 0 GJAARN CCOCCCNC(=O)c1cc(Nc2ccccc2CC)nc2ccccc21 ZINC000004910329 570362827 /nfs/dbraw/zinc/36/28/27/570362827.db2.gz RKOSEBSNRIAOOP-UHFFFAOYSA-N 0 0 377.488 4.697 50 0 GJAARN O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1Br ZINC000575618518 570363008 /nfs/dbraw/zinc/36/30/08/570363008.db2.gz BYXCFNBSPSDVMH-UHFFFAOYSA-N 0 0 396.288 4.901 50 0 GJAARN Cc1sc2ncn([C@H](C)C(=O)OC(C)C)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000000812684 570364875 /nfs/dbraw/zinc/36/48/75/570364875.db2.gz OFRWSEFDIMQPGF-LLVKDONJSA-N 0 0 390.892 4.599 50 0 GJAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1Cl ZINC000004916695 570365076 /nfs/dbraw/zinc/36/50/76/570365076.db2.gz CYQPRFTXUPAIHS-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000006307302 570367316 /nfs/dbraw/zinc/36/73/16/570367316.db2.gz DCMSZDONEGQJKI-UHFFFAOYSA-N 0 0 377.868 4.916 50 0 GJAARN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1OCC ZINC000006309187 570367318 /nfs/dbraw/zinc/36/73/18/570367318.db2.gz RDDMMQQDUXGFFQ-CYBMUJFWSA-N 0 0 392.293 4.738 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)c2ccccc2)cc1 ZINC000004322769 570367857 /nfs/dbraw/zinc/36/78/57/570367857.db2.gz BHVTZQHLYXRWRB-FQEVSTJZSA-N 0 0 390.405 4.594 50 0 GJAARN O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCCN1Cc1ccccc1 ZINC000004342453 570369614 /nfs/dbraw/zinc/36/96/14/570369614.db2.gz IPSABLMEYFYEHS-HSZRJFAPSA-N 0 0 384.479 4.521 50 0 GJAARN Cc1cc2cc(CNC(=S)Nc3cccc(C(F)(F)F)c3)ccc2n1C ZINC000004925112 570370627 /nfs/dbraw/zinc/37/06/27/570370627.db2.gz UOOSBSBGLKMYMW-UHFFFAOYSA-N 0 0 377.435 4.992 50 0 GJAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)n1C1CCCCC1 ZINC000004925259 570370636 /nfs/dbraw/zinc/37/06/36/570370636.db2.gz GIRCVRKKJCPUIE-SNVBAGLBSA-N 0 0 398.454 4.628 50 0 GJAARN Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)N(c1ccc(C)cc1)C2=O ZINC000004928750 570371330 /nfs/dbraw/zinc/37/13/30/570371330.db2.gz ZDIWZWDJULRZHV-SFHVURJKSA-N 0 0 382.261 4.539 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)N[C@@H]4CCCC[C@@H]4C)sc3n2)cc1 ZINC000004930989 570372740 /nfs/dbraw/zinc/37/27/40/570372740.db2.gz WXBHDROINPQPQE-SUMWQHHRSA-N 0 0 383.517 4.688 50 0 GJAARN O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)s1)c1cccc(F)c1 ZINC000004394803 570373422 /nfs/dbraw/zinc/37/34/22/570373422.db2.gz HQBHNCQEDUDLCT-UHFFFAOYSA-N 0 0 399.394 4.733 50 0 GJAARN Cc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000004935215 570373665 /nfs/dbraw/zinc/37/36/65/570373665.db2.gz IOCXZRMVFJSMIG-UHFFFAOYSA-N 0 0 384.483 4.893 50 0 GJAARN COc1ccccc1C(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl ZINC000000820639 570375124 /nfs/dbraw/zinc/37/51/24/570375124.db2.gz YYJBCUQSUKNZQX-HNNXBMFYSA-N 0 0 390.719 4.914 50 0 GJAARN O=C(COc1ncnc2scc(-c3ccc(F)cc3)c21)Nc1ccccc1F ZINC000008328902 570375162 /nfs/dbraw/zinc/37/51/62/570375162.db2.gz VUWCBVZHDIRBFM-UHFFFAOYSA-N 0 0 397.406 4.654 50 0 GJAARN CCn1c2ccccc2c2sc(C(=O)N(CC(C)C)CC(C)C)cc2c1=O ZINC000004939225 570375254 /nfs/dbraw/zinc/37/52/54/570375254.db2.gz IEDKORVEYSJZKT-UHFFFAOYSA-N 0 0 384.545 4.990 50 0 GJAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCCCC2 ZINC000004438443 570375298 /nfs/dbraw/zinc/37/52/98/570375298.db2.gz GAIIASJQRGALSZ-UHFFFAOYSA-N 0 0 388.558 4.680 50 0 GJAARN CC(=O)Nc1cccc(Nc2nnc(Sc3nc4ccccc4o3)s2)c1 ZINC000051824193 570375505 /nfs/dbraw/zinc/37/55/05/570375505.db2.gz MLUWCNXQUBFFIS-UHFFFAOYSA-N 0 0 383.458 4.533 50 0 GJAARN COc1ccc(C(=O)c2cn(Cc3ccccc3)c3ccc(C)cc3c2=O)cc1 ZINC000004936830 570375599 /nfs/dbraw/zinc/37/55/99/570375599.db2.gz UFEVFCHMMZPNEK-UHFFFAOYSA-N 0 0 383.447 4.598 50 0 GJAARN CCc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 ZINC000008395372 570376861 /nfs/dbraw/zinc/37/68/61/570376861.db2.gz FPXSYZNIEJTXIG-UHFFFAOYSA-N 0 0 380.469 4.593 50 0 GJAARN 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ZINC000036115032 570544011 /nfs/dbraw/zinc/54/40/11/570544011.db2.gz MWJLAJYWCXQSGN-UHFFFAOYSA-N 0 0 398.528 4.506 50 0 GJAARN CCOc1ccccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000032962597 570544538 /nfs/dbraw/zinc/54/45/38/570544538.db2.gz UQKBWYKQBGGSEP-UHFFFAOYSA-N 0 0 381.453 4.837 50 0 GJAARN CCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000006706042 570545143 /nfs/dbraw/zinc/54/51/43/570545143.db2.gz MQGXWPGDJQRNIB-QFIPXVFZSA-N 0 0 398.528 4.993 50 0 GJAARN CCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1 ZINC000006705706 570545579 /nfs/dbraw/zinc/54/55/79/570545579.db2.gz JZKUWOBFOGAKIE-FQEVSTJZSA-N 0 0 390.455 4.872 50 0 GJAARN CC(=O)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006708707 570545605 /nfs/dbraw/zinc/54/56/05/570545605.db2.gz BGXUAYROKWEFGR-MRXNPFEDSA-N 0 0 399.510 4.537 50 0 GJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)c(F)c2)cc1 ZINC000036148812 570549449 /nfs/dbraw/zinc/54/94/49/570549449.db2.gz XTQDLTLSAFBLKU-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)c1 ZINC000006721211 570549862 /nfs/dbraw/zinc/54/98/62/570549862.db2.gz XRNUCDBFDXFRLM-UHFFFAOYSA-N 0 0 392.528 4.578 50 0 GJAARN CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000040097844 570551337 /nfs/dbraw/zinc/55/13/37/570551337.db2.gz CLOQGOOPCGMRDL-UHFFFAOYSA-N 0 0 379.382 4.622 50 0 GJAARN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)C(C)C ZINC000036150832 570552212 /nfs/dbraw/zinc/55/22/12/570552212.db2.gz VXDCMBMSHVOHPE-UHFFFAOYSA-N 0 0 383.536 4.973 50 0 GJAARN CC(C)CN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)C(C)C ZINC000006723387 570552311 /nfs/dbraw/zinc/55/23/11/570552311.db2.gz WPFFSCKPKCZGAN-UHFFFAOYSA-N 0 0 382.335 4.879 50 0 GJAARN O=C(c1ccccc1Br)N(CCc1ccccc1)Cc1ccccn1 ZINC000061974301 570552751 /nfs/dbraw/zinc/55/27/51/570552751.db2.gz VMKPZRXOONMVAO-UHFFFAOYSA-N 0 0 395.300 4.729 50 0 GJAARN O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000035476317 570552952 /nfs/dbraw/zinc/55/29/52/570552952.db2.gz NHVSGUGLORKJEU-KRWDZBQOSA-N 0 0 396.830 4.701 50 0 GJAARN COc1cc(-c2nc3cnccn3c2Nc2ccc(C)c(Cl)c2)ccc1O ZINC000035616234 570556370 /nfs/dbraw/zinc/55/63/70/570556370.db2.gz HOULLORTLNJOGO-UHFFFAOYSA-N 0 0 380.835 4.816 50 0 GJAARN c1ccc(CCSc2nc3ccccc3c3nc(-c4ccncc4)nn32)cc1 ZINC000009420350 570557600 /nfs/dbraw/zinc/55/76/00/570557600.db2.gz KGVGEJBPUWEYRB-UHFFFAOYSA-N 0 0 383.480 4.674 50 0 GJAARN O=C(c1ccco1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccc(F)cc1 ZINC000006732776 570557678 /nfs/dbraw/zinc/55/76/78/570557678.db2.gz PVBDNQADWPEGHO-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN COc1ccc([C@H](CC(=O)NCCC(C)C)c2c[nH]c3ccccc32)c(OC)c1 ZINC000006736089 570558610 /nfs/dbraw/zinc/55/86/10/570558610.db2.gz RYYRJZAIOGMDKA-FQEVSTJZSA-N 0 0 394.515 4.869 50 0 GJAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@H](c3ccc(C)cc3)CC2=O)cc1 ZINC000009698376 570560614 /nfs/dbraw/zinc/56/06/14/570560614.db2.gz ZKSFBMXODUAUHI-IBGZPJMESA-N 0 0 397.478 4.934 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)cc1C ZINC000006738698 570560743 /nfs/dbraw/zinc/56/07/43/570560743.db2.gz IUAOJLPVNSMDDW-SFTDATJTSA-N 0 0 390.508 4.914 50 0 GJAARN Cc1cc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)ccc1Cl ZINC000006738844 570561074 /nfs/dbraw/zinc/56/10/74/570561074.db2.gz CDSIKLVFXJMUQT-UHFFFAOYSA-N 0 0 382.872 4.964 50 0 GJAARN Cc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000032974473 570562226 /nfs/dbraw/zinc/56/22/26/570562226.db2.gz CPEJQAYVFHRXMN-UHFFFAOYSA-N 0 0 393.531 4.562 50 0 GJAARN Cc1cc(C)cc(CSc2nnc(NC(=O)Cc3cccs3)s2)c1 ZINC000006739895 570562797 /nfs/dbraw/zinc/56/27/97/570562797.db2.gz GTKSTWBEZCOTKX-UHFFFAOYSA-N 0 0 375.544 4.690 50 0 GJAARN CCCCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC ZINC000036185244 570563065 /nfs/dbraw/zinc/56/30/65/570563065.db2.gz NUMCFYGRVTVNID-IBGZPJMESA-N 0 0 380.488 4.623 50 0 GJAARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006740759 570563096 /nfs/dbraw/zinc/56/30/96/570563096.db2.gz CRAVSVPBQWDUNX-LJQANCHMSA-N 0 0 390.483 4.603 50 0 GJAARN COc1ccccc1Nc1nc(C)c2c(n1)C[C@H](c1ccc(F)cc1)CC2=O ZINC000009939263 570563118 /nfs/dbraw/zinc/56/31/18/570563118.db2.gz HDTCMUINNOYVSF-HNNXBMFYSA-N 0 0 377.419 4.589 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847624 570563739 /nfs/dbraw/zinc/56/37/39/570563739.db2.gz UCYATNNMDFXCMS-OAHLLOKOSA-N 0 0 385.895 4.859 50 0 GJAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847620 570563786 /nfs/dbraw/zinc/56/37/86/570563786.db2.gz GSNQIZPGHDDHDV-OAHLLOKOSA-N 0 0 385.895 4.859 50 0 GJAARN Cc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3Cl)CC1)c1cccn1-2 ZINC000064848232 570564306 /nfs/dbraw/zinc/56/43/06/570564306.db2.gz YHJBJFNQKCJZME-UHFFFAOYSA-N 0 0 391.902 4.996 50 0 biogenic GJAARN CC(=O)c1ccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1 ZINC000064844724 570564648 /nfs/dbraw/zinc/56/46/48/570564648.db2.gz UWJXIFCSZGMYNA-UHFFFAOYSA-N 0 0 375.428 4.849 50 0 GJAARN CCOc1cccc2c1Oc1nc(-c3ccc(Br)cc3)[nH]c(=O)c1C2 ZINC000006748453 570566668 /nfs/dbraw/zinc/56/66/68/570566668.db2.gz FGVZBAHHMJUPLI-UHFFFAOYSA-N 0 0 399.244 4.707 50 0 GJAARN CC(C)OCCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000006748776 570566978 /nfs/dbraw/zinc/56/69/78/570566978.db2.gz UPQPIFHACVCZHI-UHFFFAOYSA-N 0 0 393.512 4.761 50 0 GJAARN O=C(Cn1cnc2scc(-c3ccccc3Cl)c2c1=O)c1ccccc1 ZINC000036646070 570567193 /nfs/dbraw/zinc/56/71/93/570567193.db2.gz PDCMAZVDUCREJL-UHFFFAOYSA-N 0 0 380.856 4.661 50 0 GJAARN O=C(NCc1cccc(F)c1)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000006750862 570569065 /nfs/dbraw/zinc/56/90/65/570569065.db2.gz MQRPYKOZOBHPDG-UHFFFAOYSA-N 0 0 392.499 4.868 50 0 GJAARN Cc1nc2ccc(C(=O)Nc3cccc(C(=O)Nc4cccc(F)c4)c3)cc2o1 ZINC000225397067 570569933 /nfs/dbraw/zinc/56/99/33/570569933.db2.gz GYLUDTYDEQXGEU-UHFFFAOYSA-N 0 0 389.386 4.780 50 0 GJAARN CC(C)CO[C@@H](C)c1noc(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 ZINC000225428874 570573259 /nfs/dbraw/zinc/57/32/59/570573259.db2.gz YAQOACOIMOMLOP-JTQLQIEISA-N 0 0 382.342 4.539 50 0 GJAARN COc1cccc(-c2cc(OCC(=O)N(C)c3ccccc3)c3ccccc3n2)c1 ZINC000032985636 570573449 /nfs/dbraw/zinc/57/34/49/570573449.db2.gz CROGSHDHLNEFJS-UHFFFAOYSA-N 0 0 398.462 4.952 50 0 GJAARN CCCN(C(=O)c1cc2c(nc3ccccn3c2=O)s1)c1cccc(Cl)c1 ZINC000006757304 570574424 /nfs/dbraw/zinc/57/44/24/570574424.db2.gz PDWNLGPEQMQAAO-UHFFFAOYSA-N 0 0 397.887 4.619 50 0 GJAARN C[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccc2c(c1)OCO2 ZINC000006763521 570576044 /nfs/dbraw/zinc/57/60/44/570576044.db2.gz FJOYCHBRBSKQSY-VIFPVBQESA-N 0 0 377.824 4.914 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)Nc1nnc(N(C)Cc2ccccc2)s1 ZINC000006769009 570579586 /nfs/dbraw/zinc/57/95/86/570579586.db2.gz KIZWZWSOCKJGFZ-UHFFFAOYSA-N 0 0 387.896 4.780 50 0 GJAARN Cc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000036246200 570580771 /nfs/dbraw/zinc/58/07/71/570580771.db2.gz OHSBIWRBMVQRNF-UHFFFAOYSA-N 0 0 391.414 4.808 50 0 GJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1 ZINC000038535754 570580921 /nfs/dbraw/zinc/58/09/21/570580921.db2.gz JQDQOCDXPUSQIC-CQSZACIVSA-N 0 0 385.485 4.757 50 0 aggregator GJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1Cl ZINC000005396321 570581059 /nfs/dbraw/zinc/58/10/59/570581059.db2.gz LEHNFDYWYAUPOX-UHFFFAOYSA-N 0 0 389.933 4.894 50 0 GJAARN CCCCCN(Cc1ccc(F)cc1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000225509618 570581859 /nfs/dbraw/zinc/58/18/59/570581859.db2.gz JQGBNTLYTQELFB-UHFFFAOYSA-N 0 0 379.479 4.903 50 0 GJAARN COc1ccc(N2Cc3cccc(C(=O)Nc4cccc(C)c4C)c3C2=O)cc1 ZINC000006772668 570582668 /nfs/dbraw/zinc/58/26/68/570582668.db2.gz DCGBSUWDZGSWRN-UHFFFAOYSA-N 0 0 386.451 4.725 50 0 GJAARN COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248865 570582813 /nfs/dbraw/zinc/58/28/13/570582813.db2.gz AITFUSIDCLFLCS-UHFFFAOYSA-N 0 0 399.487 4.847 50 0 GJAARN C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005399897 570584889 /nfs/dbraw/zinc/58/48/89/570584889.db2.gz ZBETVULQFBJUCM-KRWDZBQOSA-N 0 0 398.462 4.948 50 0 GJAARN COc1ccc([C@@H](CC(=O)N(C)Cc2csc(C)n2)c2ccccc2)cc1 ZINC000011841421 570586727 /nfs/dbraw/zinc/58/67/27/570586727.db2.gz UXNSECMLLQRPEX-NRFANRHFSA-N 0 0 380.513 4.641 50 0 GJAARN COc1ccccc1CNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780481 570586885 /nfs/dbraw/zinc/58/68/85/570586885.db2.gz WMLNAOHVVQSJDH-UHFFFAOYSA-N 0 0 391.496 4.642 50 0 GJAARN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccccc2Cl)CC1 ZINC000011844556 570588325 /nfs/dbraw/zinc/58/83/25/570588325.db2.gz COJHCHRIFKUJAS-UHFFFAOYSA-N 0 0 382.891 4.565 50 0 GJAARN Fc1cccc(OCc2noc([C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000225572610 570589784 /nfs/dbraw/zinc/58/97/84/570589784.db2.gz YCCWWDFFBFMJNF-KSSFIOAISA-N 0 0 392.789 4.825 50 0 GJAARN Cc1cccc(C)c1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919328 570590452 /nfs/dbraw/zinc/59/04/52/570590452.db2.gz RKIWPTSVFKDLPD-UHFFFAOYSA-N 0 0 386.430 4.943 50 0 GJAARN CCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005428287 570590853 /nfs/dbraw/zinc/59/08/53/570590853.db2.gz FOEWOVDSUXQZCV-PXSONHPJSA-N 0 0 386.532 4.799 50 0 GJAARN O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000006786774 570592463 /nfs/dbraw/zinc/59/24/63/570592463.db2.gz OMCWNUDAAZXBRR-UHFFFAOYSA-N 0 0 399.498 4.724 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000002645810 570592653 /nfs/dbraw/zinc/59/26/53/570592653.db2.gz OVGZLHAQIVJDOA-UHFFFAOYSA-N 0 0 381.815 4.900 50 0 GJAARN O=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCCO2)n1C1CCCC1 ZINC000006787302 570593083 /nfs/dbraw/zinc/59/30/83/570593083.db2.gz IKQQOOGNDUSAJR-OAHLLOKOSA-N 0 0 378.925 4.826 50 0 GJAARN O=C(Cc1cccc(F)c1)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000006787390 570593124 /nfs/dbraw/zinc/59/31/24/570593124.db2.gz MDCSDYPTAHRGPS-IBGZPJMESA-N 0 0 378.472 4.859 50 0 GJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000002654924 570593223 /nfs/dbraw/zinc/59/32/23/570593223.db2.gz POHPVOLOFKXBND-UHFFFAOYSA-N 0 0 386.495 4.532 50 0 GJAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cccc(Cl)c1 ZINC000003221178 570598518 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CCCSCCCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1 ZINC000006806295 570606965 /nfs/dbraw/zinc/60/69/65/570606965.db2.gz HOABIYWGQSCMKK-UHFFFAOYSA-N 0 0 391.606 4.796 50 0 GJAARN COc1ccccc1OCC(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000003422624 570607213 /nfs/dbraw/zinc/60/72/13/570607213.db2.gz VTCLWGAOIXDAOE-UHFFFAOYSA-N 0 0 388.876 4.798 50 0 GJAARN CC[C@H](CO)Nc1nc(SC(C)C)nc2sc3c(c21)C[C@](C)(CC)OC3 ZINC000005478288 570608060 /nfs/dbraw/zinc/60/80/60/570608060.db2.gz JILNONVUMCULFI-BLVKFPJESA-N 0 0 395.594 4.616 50 0 GJAARN Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccccc2)c(C)c1 ZINC000005483306 570611610 /nfs/dbraw/zinc/61/16/10/570611610.db2.gz DLIBROOYDRRHPI-QHCPKHFHSA-N 0 0 388.442 4.564 50 0 GJAARN O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000036314483 570611557 /nfs/dbraw/zinc/61/15/57/570611557.db2.gz WMJSVZVETJNXJM-HNNXBMFYSA-N 0 0 382.262 4.954 50 0 GJAARN O=C(NCc1ccccc1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000064955587 570611886 /nfs/dbraw/zinc/61/18/86/570611886.db2.gz 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CCOc1ccccc1NC(=O)c1sc2nc(C)nc(N(CC)CC)c2c1C ZINC000006948085 570718203 /nfs/dbraw/zinc/71/82/03/570718203.db2.gz KIQNJDCVJPHBRR-UHFFFAOYSA-N 0 0 398.532 4.805 50 0 GJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000012844400 570723892 /nfs/dbraw/zinc/72/38/92/570723892.db2.gz RRBKVTOSOACLBE-TXEJJXNPSA-N 0 0 399.438 4.637 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn32)c1 ZINC000006971073 570724727 /nfs/dbraw/zinc/72/47/27/570724727.db2.gz KJRIXYJGWMTPKB-UHFFFAOYSA-N 0 0 387.439 4.579 50 0 GJAARN COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(Br)cc3)cc2c1 ZINC000025110179 570725134 /nfs/dbraw/zinc/72/51/34/570725134.db2.gz OAIWRVRLHSOCQM-UHFFFAOYSA-N 0 0 399.288 4.587 50 0 GJAARN Cn1c(=O)c2ccccc2nc1SCc1c(-c2ccccc2)nc2ccccn21 ZINC000032672021 570727473 /nfs/dbraw/zinc/72/74/73/570727473.db2.gz HWZAXSLTPZIUFN-UHFFFAOYSA-N 0 0 398.491 4.541 50 0 GJAARN CC(=O)O[C@H](C(=O)N1c2ccccc2[C@H]2Cc3ccccc3[C@H]21)c1ccccc1 ZINC000252507401 570729354 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/nfs/dbraw/zinc/81/53/47/570815347.db2.gz MNSNOOLXLZGXHH-UHFFFAOYSA-N 0 0 383.469 4.956 50 0 GJAARN O=C(c1ccc(Cl)cc1Cl)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505522 570818033 /nfs/dbraw/zinc/81/80/33/570818033.db2.gz QCPNDNPIRFIFHG-UHFFFAOYSA-N 0 0 390.266 4.634 50 0 GJAARN Cc1ccc(-c2nc(C[S@](=O)CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC000032801512 570820241 /nfs/dbraw/zinc/82/02/41/570820241.db2.gz ZSQLVVRJSTZZAL-HHHXNRCGSA-N 0 0 398.553 4.623 50 0 GJAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCS[C@@H](c2cccs2)CC1 ZINC000219547357 570820288 /nfs/dbraw/zinc/82/02/88/570820288.db2.gz BJDXRMNPUGKKLJ-OAHLLOKOSA-N 0 0 387.979 4.579 50 0 GJAARN CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)c(F)c1 ZINC000032801656 570820310 /nfs/dbraw/zinc/82/03/10/570820310.db2.gz UNNRNCQOYOSNPI-UHFFFAOYSA-N 0 0 397.475 4.562 50 0 GJAARN CC(C)c1ccc([C@@H](C)NC(=O)N[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000032802306 570820716 /nfs/dbraw/zinc/82/07/16/570820716.db2.gz QSYSMCNLZMFMDO-DYESRHJHSA-N 0 0 376.504 4.693 50 0 GJAARN CC(C)c1ccc([C@@H](C)NC(=O)N[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000032802302 570820743 /nfs/dbraw/zinc/82/07/43/570820743.db2.gz QSYSMCNLZMFMDO-UTKZUKDTSA-N 0 0 376.504 4.693 50 0 GJAARN O=C(CCSc1nccn1-c1cccc(Cl)c1)Nc1ccccc1F ZINC000012520042 570826641 /nfs/dbraw/zinc/82/66/41/570826641.db2.gz RCBCKCPLBNSWBM-UHFFFAOYSA-N 0 0 375.856 4.786 50 0 GJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)CCC1CCCC1 ZINC000004513879 570827502 /nfs/dbraw/zinc/82/75/02/570827502.db2.gz LIZCZGPFPCZVST-KRWDZBQOSA-N 0 0 395.565 4.513 50 0 GJAARN CCOc1cc([C@@H]2CC(c3cccc(C)c3)=Nc3ncnn32)ccc1OC(F)F ZINC000101641533 570827691 /nfs/dbraw/zinc/82/76/91/570827691.db2.gz RYZBYDZYRYENFK-KRWDZBQOSA-N 0 0 398.413 4.643 50 0 GJAARN CC(C)c1ccc(NC(=O)c2ccc(-n3cnc(NC(=O)C4CC4)c3)cc2)cc1 ZINC000033140826 570827710 /nfs/dbraw/zinc/82/77/10/570827710.db2.gz ZKLRQKHDDSCHSO-UHFFFAOYSA-N 0 0 388.471 4.597 50 0 GJAARN COC(=O)c1c(C)[nH]c(-c2ccc(SC)cc2)c1[C@H]1C(=O)Nc2ccccc21 ZINC000101630892 570827767 /nfs/dbraw/zinc/82/77/67/570827767.db2.gz QCMUNRMEKALFNM-SFHVURJKSA-N 0 0 392.480 4.583 50 0 GJAARN C[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1 ZINC000032815690 570828767 /nfs/dbraw/zinc/82/87/67/570828767.db2.gz RAEAHYSEPQYUBN-CYBMUJFWSA-N 0 0 377.410 4.641 50 0 GJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1OCc1cn2ccccc2n1 ZINC000007318885 570829287 /nfs/dbraw/zinc/82/92/87/570829287.db2.gz GZTGMNKEKHPWOD-JOCHJYFZSA-N 0 0 397.478 4.721 50 0 GJAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000239402685 570829613 /nfs/dbraw/zinc/82/96/13/570829613.db2.gz QZNQTLPLRIJJML-JUKMUDQWSA-N 0 0 397.302 4.743 50 0 GJAARN CCOc1ccc([C@H]2C[C@@H](c3cccc4ccccc43)n3nc(N)nc3N2)cc1 ZINC000004685338 570830624 /nfs/dbraw/zinc/83/06/24/570830624.db2.gz XWZYOVNVBZESSJ-RTWAWAEBSA-N 0 0 385.471 4.559 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c(C)c1 ZINC000032817209 570830639 /nfs/dbraw/zinc/83/06/39/570830639.db2.gz IJUJEBLTGYHYPZ-UHFFFAOYSA-N 0 0 389.377 4.525 50 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0 GJAARN Fc1ccccc1-c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000007427775 570842633 /nfs/dbraw/zinc/84/26/33/570842633.db2.gz VDHDBXBECVIMQW-UHFFFAOYSA-N 0 0 388.811 4.871 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2ccccc2)nn1 ZINC000007444855 570844288 /nfs/dbraw/zinc/84/42/88/570844288.db2.gz MDDOBEHKNQAWPS-UHFFFAOYSA-N 0 0 385.876 4.536 50 0 GJAARN O=C(COc1ccc(Cl)cc1)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003268417 570845043 /nfs/dbraw/zinc/84/50/43/570845043.db2.gz HFKZWCZUWQQDPN-QFIPXVFZSA-N 0 0 380.827 4.886 50 0 GJAARN Cc1ccc(OCCC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 ZINC000012544529 570845502 /nfs/dbraw/zinc/84/55/02/570845502.db2.gz QUSAJUWUXQRBDA-HNNXBMFYSA-N 0 0 387.430 4.695 50 0 GJAARN CCOc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000037208997 570847446 /nfs/dbraw/zinc/84/74/46/570847446.db2.gz VBLMFZYYBZPMMS-OAQYLSRUSA-N 0 0 398.553 4.795 50 0 GJAARN CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000039252947 570848099 /nfs/dbraw/zinc/84/80/99/570848099.db2.gz BQIBBYLXJDSLIR-XNONYCQISA-N 0 0 376.537 4.893 50 0 biogenic GJAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071760159 570849815 /nfs/dbraw/zinc/84/98/15/570849815.db2.gz SSJGGNVNTBNPBL-QGZVFWFLSA-N 0 0 377.463 4.701 50 0 GJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(C)c3)C(=O)C2)cc1 ZINC000102529373 570849965 /nfs/dbraw/zinc/84/99/65/570849965.db2.gz LBOYDPPADBPOSN-UHFFFAOYSA-N 0 0 397.478 4.800 50 0 GJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(F)ccc1Br ZINC000032841749 570850152 /nfs/dbraw/zinc/85/01/52/570850152.db2.gz XFSRQGWNKSVKNE-QGZVFWFLSA-N 0 0 379.273 4.684 50 0 GJAARN CCc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000102529172 570850225 /nfs/dbraw/zinc/85/02/25/570850225.db2.gz IBDZFZPELVUOOX-UHFFFAOYSA-N 0 0 397.478 4.745 50 0 GJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)c2cncn2-c2ccccc2)cc1 ZINC000012548315 570850277 /nfs/dbraw/zinc/85/02/77/570850277.db2.gz AMEQJTJNLVJDIW-UHFFFAOYSA-N 0 0 396.494 4.672 50 0 GJAARN O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071762668 570850434 /nfs/dbraw/zinc/85/04/34/570850434.db2.gz GWDNBDMZPLGUDS-SFHVURJKSA-N 0 0 377.463 4.701 50 0 GJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 ZINC000004540016 570851471 /nfs/dbraw/zinc/85/14/71/570851471.db2.gz KYWPVRJDZZFALK-QFIPXVFZSA-N 0 0 387.435 4.792 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(SC)cc1OC ZINC000003294701 570852958 /nfs/dbraw/zinc/85/29/58/570852958.db2.gz MDWNBNGHKAIFFC-AWEZNQCLSA-N 0 0 387.501 4.726 50 0 GJAARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000102601240 570853609 /nfs/dbraw/zinc/85/36/09/570853609.db2.gz YFGMLQVDSWYVQU-YUNKPMOVSA-N 0 0 392.846 4.702 50 0 GJAARN CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000004700671 570853842 /nfs/dbraw/zinc/85/38/42/570853842.db2.gz QPOSUGUGUCXONK-STZFKDTASA-N 0 0 386.451 4.640 50 0 GJAARN COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 ZINC000004702621 570854057 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CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1ccco1 ZINC000012552796 570856739 /nfs/dbraw/zinc/85/67/39/570856739.db2.gz ZWZLXOWKSBFFKN-UHFFFAOYSA-N 0 0 385.467 4.724 50 0 GJAARN CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 ZINC000004547509 570857382 /nfs/dbraw/zinc/85/73/82/570857382.db2.gz LGZWUMUMTLEEMA-UHFFFAOYSA-N 0 0 386.904 4.746 50 0 GJAARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@H](c3ccc(O)cc3)C12 ZINC000102677053 570858154 /nfs/dbraw/zinc/85/81/54/570858154.db2.gz NXIMKWOUYDXZFQ-VBKZILBWSA-N 0 0 392.846 4.702 50 0 GJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2ccccc2c1 ZINC000003349532 570859525 /nfs/dbraw/zinc/85/95/25/570859525.db2.gz UUIFXBLFORNMKM-UHFFFAOYSA-N 0 0 387.266 4.857 50 0 GJAARN Nc1nc(Nc2cccc(Br)c2)sc1C(=O)c1ccc(F)cc1 ZINC000033251788 570860096 /nfs/dbraw/zinc/86/00/96/570860096.db2.gz JATDBGPIOMSJGN-UHFFFAOYSA-N 0 0 392.253 4.602 50 0 GJAARN CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000012558116 570860164 /nfs/dbraw/zinc/86/01/64/570860164.db2.gz UTRKISLBLADDRM-HTAPYJJXSA-N 0 0 380.513 4.663 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033252377 570860334 /nfs/dbraw/zinc/86/03/34/570860334.db2.gz WWAZDTXOHMQFAS-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN COc1cc2c(cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C)oc1ccccc12 ZINC000003353810 570860456 /nfs/dbraw/zinc/86/04/56/570860456.db2.gz GMEAUMAPXXOMHL-UHFFFAOYSA-N 0 0 376.412 4.994 50 0 GJAARN Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)c2cc(Br)ccc2n1 ZINC000033252816 570861194 /nfs/dbraw/zinc/86/11/94/570861194.db2.gz DNVAQRCKBRFKEJ-CYBMUJFWSA-N 0 0 383.289 4.839 50 0 GJAARN CCCC(=O)Nc1ccc(C(=O)COc2ccc(F)cc2Br)cc1 ZINC000032864058 570861703 /nfs/dbraw/zinc/86/17/03/570861703.db2.gz JDCBTCVOVVVABX-UHFFFAOYSA-N 0 0 394.240 4.589 50 0 GJAARN CCO[C@@H](C)c1nc(C(=O)Nc2cc(Br)c(F)cc2F)cs1 ZINC000170604666 570862113 /nfs/dbraw/zinc/86/21/13/570862113.db2.gz BQBQMVBGORQDFE-ZETCQYMHSA-N 0 0 391.237 4.534 50 0 GJAARN COc1cccc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c1OC ZINC000033255403 570863230 /nfs/dbraw/zinc/86/32/30/570863230.db2.gz LSXTXMKOWGTBAH-UHFFFAOYSA-N 0 0 379.460 4.657 50 0 GJAARN CC(=O)Nc1cc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)ccc1C ZINC000033255386 570863234 /nfs/dbraw/zinc/86/32/34/570863234.db2.gz NMXLGNGSCGJRAV-UHFFFAOYSA-N 0 0 390.487 4.907 50 0 GJAARN O=C(CNc1ncnc2sc(-c3ccccc3)cc21)Nc1ccc(F)c(F)c1 ZINC000003377898 570863878 /nfs/dbraw/zinc/86/38/78/570863878.db2.gz ZDEFEQLSYCIWED-UHFFFAOYSA-N 0 0 396.422 4.687 50 0 GJAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc(Br)s3)cc2C1 ZINC000003380951 570863967 /nfs/dbraw/zinc/86/39/67/570863967.db2.gz UUXFNZUNQHSRQS-SECBINFHSA-N 0 0 399.331 4.737 50 0 GJAARN C[C@@H]1CC[C@@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)O1 ZINC000170608150 570866410 /nfs/dbraw/zinc/86/64/10/570866410.db2.gz LEKUIOBLMBPCSS-AEFFLSMTSA-N 0 0 399.585 4.833 50 0 GJAARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@H](c3cccs3)C12 ZINC000102839069 570866743 /nfs/dbraw/zinc/86/67/43/570866743.db2.gz FXIJXCKSQWEFDY-PIGZYNQJSA-N 0 0 382.420 4.899 50 0 GJAARN O=C(NC1CCCC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261192 570867124 /nfs/dbraw/zinc/86/71/24/570867124.db2.gz IFFMMAAOWPEUDH-UHFFFAOYSA-N 0 0 376.435 4.699 50 0 GJAARN Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)c1C ZINC000003428948 570867350 /nfs/dbraw/zinc/86/73/50/570867350.db2.gz VJBPXZRFNICZKI-QHCPKHFHSA-N 0 0 384.479 4.509 50 0 GJAARN Cc1c2ccccc2oc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000003428323 570867596 /nfs/dbraw/zinc/86/75/96/570867596.db2.gz QEEMCHKWKTUDGS-UHFFFAOYSA-N 0 0 398.462 4.966 50 0 GJAARN CCN(CC)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000037278695 570869119 /nfs/dbraw/zinc/86/91/19/570869119.db2.gz MVCLKNGAIDQTTF-UHFFFAOYSA-N 0 0 395.478 4.913 50 0 GJAARN CCSc1ccccc1C(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000044204241 570870678 /nfs/dbraw/zinc/87/06/78/570870678.db2.gz OBCYYLLURXJNMF-AWEZNQCLSA-N 0 0 399.541 4.930 50 0 GJAARN NC(=S)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000005714636 570871025 /nfs/dbraw/zinc/87/10/25/570871025.db2.gz YQWXSPMWCMMZSR-WCUNGBOWSA-N 0 0 383.467 4.805 50 0 GJAARN NC(=S)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000005714640 570871760 /nfs/dbraw/zinc/87/17/60/570871760.db2.gz YQWXSPMWCMMZSR-JFCPHNPSSA-N 0 0 383.467 4.805 50 0 GJAARN O=C(OCc1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000007537631 570872360 /nfs/dbraw/zinc/87/23/60/570872360.db2.gz OBIABPUGGPXKEY-UHFFFAOYSA-N 0 0 392.282 4.589 50 0 GJAARN Cc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C(C)C)cc1Br ZINC000170615022 570872625 /nfs/dbraw/zinc/87/26/25/570872625.db2.gz DDAPZZJKBRHIQK-UHFFFAOYSA-N 0 0 388.371 4.834 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3cnc4onc(C(C)C)c4c3)sc2c1 ZINC000032871955 570873670 /nfs/dbraw/zinc/87/36/70/570873670.db2.gz LMSUXLQAWKGRRG-UHFFFAOYSA-N 0 0 382.445 4.607 50 0 GJAARN Cc1noc(-c2ccc(C(=O)NC[C@@H](C)c3c(Cl)cccc3Cl)cc2)n1 ZINC000170616404 570873899 /nfs/dbraw/zinc/87/38/99/570873899.db2.gz GTLWPAWGKGJIAT-LLVKDONJSA-N 0 0 390.270 4.885 50 0 GJAARN Cc1noc(-c2ccc(C(=O)NC[C@H](C)c3c(Cl)cccc3Cl)cc2)n1 ZINC000170616406 570873911 /nfs/dbraw/zinc/87/39/11/570873911.db2.gz GTLWPAWGKGJIAT-NSHDSACASA-N 0 0 390.270 4.885 50 0 GJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1cccc2ccccc21 ZINC000003526081 570874462 /nfs/dbraw/zinc/87/44/62/570874462.db2.gz HGXHHBHFCNQLGY-UHFFFAOYSA-N 0 0 399.402 4.725 50 0 GJAARN O=C(c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1F)N1CCOCC1 ZINC000170616149 570875089 /nfs/dbraw/zinc/87/50/89/570875089.db2.gz ZMUQJUNVKJPKHF-UHFFFAOYSA-N 0 0 390.458 4.577 50 0 GJAARN Cc1ccccc1CC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000033261455 570878074 /nfs/dbraw/zinc/87/80/74/570878074.db2.gz XDCPLFHPKUBTAN-UHFFFAOYSA-N 0 0 383.495 4.848 50 0 GJAARN O=C(NCCc1nc2cccnc2n1C1CCCCC1)Nc1ccccc1Cl ZINC000033263699 570880029 /nfs/dbraw/zinc/88/00/29/570880029.db2.gz KBHVCDKEXZWLMW-UHFFFAOYSA-N 0 0 397.910 4.954 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1Cl ZINC000170622890 570880150 /nfs/dbraw/zinc/88/01/50/570880150.db2.gz VLDUEWRRDKUTRE-UHFFFAOYSA-N 0 0 397.740 4.670 50 0 GJAARN COc1cccc(C2=CCN(C(=O)Nc3cccc(-c4ncc(C)o4)c3)CC2)c1 ZINC000170623356 570881238 /nfs/dbraw/zinc/88/12/38/570881238.db2.gz XUFKVSCPUKOYMQ-UHFFFAOYSA-N 0 0 389.455 4.980 50 0 GJAARN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1cccc(Cl)c1 ZINC000033263780 570881465 /nfs/dbraw/zinc/88/14/65/570881465.db2.gz FHWYSIOMMPZWHV-UHFFFAOYSA-N 0 0 383.883 4.564 50 0 GJAARN Cc1cccc(Oc2ccc(NC(=O)c3cc4ccccc4oc3=O)cn2)c1C ZINC000170627128 570883025 /nfs/dbraw/zinc/88/30/25/570883025.db2.gz SNXBAVLIBALTFO-UHFFFAOYSA-N 0 0 386.407 4.849 50 0 GJAARN O=C(NCc1cccc(Cl)c1)c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000033264715 570883306 /nfs/dbraw/zinc/88/33/06/570883306.db2.gz OSGKHAZAAPJHAX-UHFFFAOYSA-N 0 0 389.886 4.932 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1cccc2ccccc21 ZINC000012592031 570883726 /nfs/dbraw/zinc/88/37/26/570883726.db2.gz KDKOTBOCQSXWOR-ZNLUXHQJSA-N 0 0 382.500 4.930 50 0 GJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCCCC1 ZINC000012592299 570883998 /nfs/dbraw/zinc/88/39/98/570883998.db2.gz VLEVYMKFRBRACD-HXUWFJFHSA-N 0 0 379.548 4.753 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 ZINC000012595532 570884462 /nfs/dbraw/zinc/88/44/62/570884462.db2.gz NBHVJJCMPKDAMC-ACJLOTCBSA-N 0 0 377.271 4.739 50 0 GJAARN Cc1ccc(CN(C)C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1 ZINC000012600602 570886281 /nfs/dbraw/zinc/88/62/81/570886281.db2.gz CQGLKIXNYMMWBG-UHFFFAOYSA-N 0 0 379.529 4.548 50 0 GJAARN COc1ccc2c(CC(=O)NCC(c3ccccc3)c3ccccc3)coc2c1 ZINC000009882864 570886498 /nfs/dbraw/zinc/88/64/98/570886498.db2.gz HFBGSHHNDDKDJU-UHFFFAOYSA-N 0 0 385.463 4.932 50 0 GJAARN CN(C(=O)c1cccc(Oc2ccccc2)c1)c1ncccc1Br ZINC000097086499 570890630 /nfs/dbraw/zinc/89/06/30/570890630.db2.gz XCPAYVJEAGZYGC-UHFFFAOYSA-N 0 0 383.245 4.913 50 0 GJAARN COc1ccc(-c2csc3ncnc(NC[C@H](O)c4ccccc4)c23)cc1 ZINC000012614198 570890927 /nfs/dbraw/zinc/89/09/27/570890927.db2.gz VPJRXBRLYAABQK-SFHVURJKSA-N 0 0 377.469 4.512 50 0 GJAARN CCOc1ccccc1-c1nc(CC(=O)NCc2ccc(Cl)cc2)cs1 ZINC000012617656 570891314 /nfs/dbraw/zinc/89/13/14/570891314.db2.gz DRLUOKOOSNKCKH-UHFFFAOYSA-N 0 0 386.904 4.721 50 0 GJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1Cl ZINC000010499818 570894101 /nfs/dbraw/zinc/89/41/01/570894101.db2.gz RTLVRWRHLUWSQV-UHFFFAOYSA-N 0 0 399.903 4.552 50 0 GJAARN CC(C)(C)[C@@H]1CC(c2cccc(Br)c2)=NN1C(=O)c1ccco1 ZINC000097105846 570894495 /nfs/dbraw/zinc/89/44/95/570894495.db2.gz JOBIFBCFGGNNQO-INIZCTEOSA-N 0 0 375.266 4.707 50 0 GJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1F ZINC000013320323 570894659 /nfs/dbraw/zinc/89/46/59/570894659.db2.gz BSABVWBLSFHXPP-UHFFFAOYSA-N 0 0 382.266 4.795 50 0 GJAARN Cc1nc(-c2ccc(CCNC(=O)COc3ccc(Cl)cc3)cc2)cs1 ZINC000012621004 570899073 /nfs/dbraw/zinc/89/90/73/570899073.db2.gz UKEVMERLNZMRSU-UHFFFAOYSA-N 0 0 386.904 4.510 50 0 GJAARN C[C@]1(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1(Cl)Cl ZINC000046734053 570899700 /nfs/dbraw/zinc/89/97/00/570899700.db2.gz XWNCZCJFMHJZKE-GOSISDBHSA-N 0 0 395.261 4.529 50 0 GJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Oc2ccc(Br)cc2Cl)cc1 ZINC000015656769 570901223 /nfs/dbraw/zinc/90/12/23/570901223.db2.gz LZSIZMUQIUNFOJ-NSHDSACASA-N 0 0 397.652 4.678 50 0 GJAARN CC(=O)Nc1ccc(OC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)cc1 ZINC000032905425 570903356 /nfs/dbraw/zinc/90/33/56/570903356.db2.gz ONYMDIRVPWCWAG-UHFFFAOYSA-N 0 0 387.435 4.712 50 0 GJAARN COc1ccc(-c2ccc(CCC(=O)Nc3cc(OC)cc(OC)c3)o2)cc1 ZINC000016705960 570907468 /nfs/dbraw/zinc/90/74/68/570907468.db2.gz PQQAHNQGJMHMCC-UHFFFAOYSA-N 0 0 381.428 4.544 50 0 GJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccc(F)cc3F)c12 ZINC000032908559 570909433 /nfs/dbraw/zinc/90/94/33/570909433.db2.gz NFXZHOXJJHZYDB-UHFFFAOYSA-N 0 0 393.393 4.749 50 0 GJAARN CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H](C)CC)cc1 ZINC000005737001 570914636 /nfs/dbraw/zinc/91/46/36/570914636.db2.gz FVYFSIYBJASOJN-UGSOOPFHSA-N 0 0 389.521 4.513 50 0 GJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)ccc3C)c3ccccn32)cc1 ZINC000004585228 570916398 /nfs/dbraw/zinc/91/63/98/570916398.db2.gz YNPQZGLLZMLGMU-UHFFFAOYSA-N 0 0 397.478 4.930 50 0 GJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000089895728 570918685 /nfs/dbraw/zinc/91/86/85/570918685.db2.gz MGAFKUCLUZBYHR-HNNXBMFYSA-N 0 0 398.557 4.511 50 0 GJAARN CCCc1nc(C)c(CNC(=O)c2cccc(-c3cnn(CC)c3C)c2)s1 ZINC000534675551 570922908 /nfs/dbraw/zinc/92/29/08/570922908.db2.gz KFTPETFQUAHTOL-UHFFFAOYSA-N 0 0 382.533 4.526 50 0 GJAARN COc1ccc(-c2cccc(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)c2)c2cccnc12 ZINC000534676054 570923638 /nfs/dbraw/zinc/92/36/38/570923638.db2.gz GHQQWAKMFGAKNS-BGYRXZFFSA-N 0 0 384.479 4.949 50 0 GJAARN COc1ccc(Br)cc1C1=N/C(=C\C(C)=C\c2ccccc2)C(=O)O1 ZINC000004589881 570924641 /nfs/dbraw/zinc/92/46/41/570924641.db2.gz QRJWEAGBZKNFQB-NEOBQEPSSA-N 0 0 398.256 4.749 50 0 GJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000252009491 570925653 /nfs/dbraw/zinc/92/56/53/570925653.db2.gz QZLSVCZVDXZLAR-CMKODMSKSA-N 0 0 382.504 4.959 50 0 GJAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2ncccc2c1 ZINC000004058790 570925850 /nfs/dbraw/zinc/92/58/50/570925850.db2.gz QVFORUMLDRSCDE-FQEVSTJZSA-N 0 0 394.272 4.695 50 0 GJAARN CCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000016635148 570929438 /nfs/dbraw/zinc/92/94/38/570929438.db2.gz YQUFXFFYIAGYEZ-UHFFFAOYSA-N 0 0 399.487 4.874 50 0 GJAARN CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000004074092 570930211 /nfs/dbraw/zinc/93/02/11/570930211.db2.gz GVIBMJZVMHMBKI-CLZTWVGMSA-N 0 0 384.516 4.733 50 0 biogenic GJAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000106028026 570934028 /nfs/dbraw/zinc/93/40/28/570934028.db2.gz GFISXTLQLXURPB-UPJWGTAASA-N 0 0 397.466 4.634 50 0 GJAARN COc1ccc(-c2cn(CC(=O)c3ccc(-c4ccccc4)cc3)c(=N)n2C)cc1 ZINC000334157626 570934779 /nfs/dbraw/zinc/93/47/79/570934779.db2.gz VIPZKAXLKLJDMP-UHFFFAOYSA-N 0 0 397.478 4.532 50 0 GJAARN O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(NC(=O)NC2CC2)c1 ZINC000032924505 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CCc1ccc(CN2CCc3c(C(=O)N(C)CC4CCCC4)csc3C2)nc1 ZINC000426531077 529642599 /nfs/dbraw/zinc/64/25/99/529642599.db2.gz XETABWNEWTXYLL-UHFFFAOYSA-N 0 0 397.588 4.526 50 0 GJAARN O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccnc1-c1ccsc1 ZINC000225647582 222687153 /nfs/dbraw/zinc/68/71/53/222687153.db2.gz UOKXZFAZCPWGTG-UHFFFAOYSA-N 0 0 376.403 4.688 50 0 GJAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C(=O)C5N=N5)[C@]4(C)CC[C@H]32)C1 ZINC000253612134 222744092 /nfs/dbraw/zinc/74/40/92/222744092.db2.gz AEBXALXJAASRTA-DXLZHMCGSA-N 0 0 384.520 4.858 50 0 GJAARN Cc1nc2sc([C@@H](c3cccc(Cl)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000035073289 212259205 /nfs/dbraw/zinc/25/92/05/212259205.db2.gz MUZJPFBLOFZGSM-BFQNTYOBSA-N 0 0 390.940 4.526 50 0 GJAARN CCCCCCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O ZINC000001886794 212258344 /nfs/dbraw/zinc/25/83/44/212258344.db2.gz HQCCPLGRISORFH-UHFFFAOYSA-N 0 0 378.472 4.832 50 0 GJAARN CCCCOC(=O)c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000001808244 212257512 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Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1Br ZINC000001159479 212224167 /nfs/dbraw/zinc/22/41/67/212224167.db2.gz NQQPSNKOXDFKHT-UHFFFAOYSA-N 0 0 386.648 4.876 50 0 GJAARN COc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)cc1Cl ZINC000001145707 212223082 /nfs/dbraw/zinc/22/30/82/212223082.db2.gz XLDITVWRGPIRGR-UHFFFAOYSA-N 0 0 398.684 4.745 50 0 GJAARN CCOc1ccc2nc(S[C@H](CC)C(=O)Nc3cc(C)on3)sc2c1 ZINC000001150334 212222954 /nfs/dbraw/zinc/22/29/54/212222954.db2.gz ZWEJDNXKPIBLJF-CYBMUJFWSA-N 0 0 377.491 4.501 50 0 GJAARN CCc1ccc(NC(=O)COc2cc(OC)ccc2C(=O)c2ccccc2)cc1 ZINC000001125072 212220588 /nfs/dbraw/zinc/22/05/88/212220588.db2.gz AWRJMYPMBAKOEY-UHFFFAOYSA-N 0 0 389.451 4.506 50 0 GJAARN O=C(CSc1ncc(-c2ccccc2)nn1)N(c1ccccc1)c1ccccc1 ZINC000001117053 212219572 /nfs/dbraw/zinc/21/95/72/212219572.db2.gz VNIAIZPKHNRFNG-UHFFFAOYSA-N 0 0 398.491 4.996 50 0 GJAARN Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCCC1 ZINC000001120332 212219017 /nfs/dbraw/zinc/21/90/17/212219017.db2.gz BHSUSLFWQLSBPO-UHFFFAOYSA-N 0 0 391.467 4.696 50 0 GJAARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nn12 ZINC000001115719 212219140 /nfs/dbraw/zinc/21/91/40/212219140.db2.gz HNVHNYQNRQGDFB-UHFFFAOYSA-N 0 0 377.473 4.537 50 0 GJAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1Cl ZINC000001072115 212213702 /nfs/dbraw/zinc/21/37/02/212213702.db2.gz LXVJIUWAAGXCHK-GFCCVEGCSA-N 0 0 396.796 4.659 50 0 GJAARN COc1ccccc1CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001068336 212212955 /nfs/dbraw/zinc/21/29/55/212212955.db2.gz ADGCJHWWFRAXLF-UHFFFAOYSA-N 0 0 382.463 4.883 50 0 GJAARN O=C(C[C@@H](C(=O)c1cccnc1)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000001043114 212210100 /nfs/dbraw/zinc/21/01/00/212210100.db2.gz ILGMEKCGEDYXCO-GOSISDBHSA-N 0 0 393.826 4.703 50 0 GJAARN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000001047352 212209783 /nfs/dbraw/zinc/20/97/83/212209783.db2.gz QUNBMJVLWPVAJK-UHFFFAOYSA-N 0 0 392.324 4.851 50 0 GJAARN O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)c1ccc2ccccc2c1 ZINC000001044816 212209822 /nfs/dbraw/zinc/20/98/22/212209822.db2.gz OMSBQLNAMJRPLC-UHFFFAOYSA-N 0 0 383.238 4.683 50 0 GJAARN Cc1c2ccc(OC(=O)c3ccco3)cc2oc(=O)c1Cc1ccc(F)cc1 ZINC000001044919 212209938 /nfs/dbraw/zinc/20/99/38/212209938.db2.gz ZGVCCTNVORGAPW-UHFFFAOYSA-N 0 0 378.355 4.644 50 0 GJAARN C[C@@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000001044119 212209742 /nfs/dbraw/zinc/20/97/42/212209742.db2.gz JRCFROHVFKNNCP-LLVKDONJSA-N 0 0 395.315 4.914 50 0 GJAARN Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NCc2cccnc2)c(C)c1C ZINC000001048083 212209256 /nfs/dbraw/zinc/20/92/56/212209256.db2.gz YMBDFYCUSLLAPN-UHFFFAOYSA-N 0 0 386.495 4.785 50 0 GJAARN O=C(Nc1ccccc1NC(=O)c1c(F)cccc1F)c1c(F)cccc1F ZINC000001048271 212209295 /nfs/dbraw/zinc/20/92/95/212209295.db2.gz BKYWKCMMWRHBGX-UHFFFAOYSA-N 0 0 388.320 4.748 50 0 GJAARN Cc1ccc(COc2cccc(/C=C3\N=C(c4cccs4)OC3=O)c2)cc1 ZINC000000996303 212203009 /nfs/dbraw/zinc/20/30/09/212203009.db2.gz VZIMDXWWGAFFFG-UYRXBGFRSA-N 0 0 375.449 4.980 50 0 GJAARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000991898 212202851 /nfs/dbraw/zinc/20/28/51/212202851.db2.gz FVAUAMZVFGPGJM-UHFFFAOYSA-N 0 0 380.827 4.959 50 0 GJAARN CC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000000948485 212198671 /nfs/dbraw/zinc/19/86/71/212198671.db2.gz UHWGIPDXIAFSRY-UHFFFAOYSA-N 0 0 392.505 4.795 50 0 GJAARN Cc1ccc(C)c(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)c1 ZINC000000948939 212198598 /nfs/dbraw/zinc/19/85/98/212198598.db2.gz HSPVUNIFFGRWDU-UHFFFAOYSA-N 0 0 382.412 4.533 50 0 GJAARN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1ccc(CC)cc1)c2=O ZINC000000950707 212198112 /nfs/dbraw/zinc/19/81/12/212198112.db2.gz WOXMTGWBHWTYLH-LJQANCHMSA-N 0 0 396.439 4.868 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 ZINC000000936599 212197132 /nfs/dbraw/zinc/19/71/32/212197132.db2.gz LJNDZDTVFGEIRP-RPBOFIJWSA-N 0 0 399.494 4.800 50 0 GJAARN CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000000939244 212196988 /nfs/dbraw/zinc/19/69/88/212196988.db2.gz HVEDWBIMVTZWMW-UHFFFAOYSA-N 0 0 395.673 4.992 50 0 GJAARN Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3c(C)cccc3C)cs2)c1 ZINC000009625586 212195749 /nfs/dbraw/zinc/19/57/49/212195749.db2.gz YZLJXNPOIWQUQP-UHFFFAOYSA-N 0 0 394.500 4.894 50 0 GJAARN Cc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919431 212195558 /nfs/dbraw/zinc/19/55/58/212195558.db2.gz RGJIBVUOHKDOLN-CZUORRHYSA-N 0 0 390.365 4.697 50 0 GJAARN O=C(NC1CCCCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000865982 212192309 /nfs/dbraw/zinc/19/23/09/212192309.db2.gz NPYPPDWCUIABSE-IRXDYDNUSA-N 0 0 392.425 4.606 50 0 GJAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)sc2c1 ZINC000000872281 212191862 /nfs/dbraw/zinc/19/18/62/212191862.db2.gz QKQJUNMXJYVQAP-UHFFFAOYSA-N 0 0 386.498 4.628 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000009476832 212191271 /nfs/dbraw/zinc/19/12/71/212191271.db2.gz KQMPYNFUFFHAIH-NSHDSACASA-N 0 0 381.259 4.697 50 0 GJAARN COc1ccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c(OC)c1 ZINC000000869318 212190969 /nfs/dbraw/zinc/19/09/69/212190969.db2.gz ARFBZLSIFYDAGA-UHFFFAOYSA-N 0 0 390.798 4.712 50 0 GJAARN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccccc2)ccc1O ZINC000000860752 212190257 /nfs/dbraw/zinc/19/02/57/212190257.db2.gz QPOSHVSRJBAGDY-QHCPKHFHSA-N 0 0 397.434 4.541 50 0 GJAARN CCN(CC)C(=S)S[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000009387838 212193730 /nfs/dbraw/zinc/19/37/30/212193730.db2.gz FAWKDVILEWMEQR-LLVKDONJSA-N 0 0 397.566 4.636 50 0 GJAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCCC1 ZINC000000902158 212193743 /nfs/dbraw/zinc/19/37/43/212193743.db2.gz ITPQXEGJLAENEP-UHFFFAOYSA-N 0 0 399.438 4.687 50 0 GJAARN CC[C@H]1CCCCN1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000901882 212193328 /nfs/dbraw/zinc/19/33/28/212193328.db2.gz WDUGIOHUIFLAIC-LBPRGKRZSA-N 0 0 399.438 4.639 50 0 GJAARN O=C1C[C@H](c2cc3c(cc2Br)OCO3)c2ccc3ccccc3c2N1 ZINC000000799514 212182390 /nfs/dbraw/zinc/18/23/90/212182390.db2.gz BNNFCYGTCYYAJC-AWEZNQCLSA-N 0 0 396.240 4.805 50 0 GJAARN CC(C)C(=O)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000000832373 212187244 /nfs/dbraw/zinc/18/72/44/212187244.db2.gz UZQKTENNJAIXRA-NSHDSACASA-N 0 0 379.498 4.841 50 0 GJAARN Cc1cccc(C(=O)N[C@H](Nc2ccccc2F)C(Cl)(Cl)Cl)c1 ZINC000000824895 212186124 /nfs/dbraw/zinc/18/61/24/212186124.db2.gz DNYZCXBCXDVVSD-HNNXBMFYSA-N 0 0 375.658 4.672 50 0 GJAARN CCOc1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 ZINC000000824908 212185165 /nfs/dbraw/zinc/18/51/65/212185165.db2.gz CTQJKPWXAGKQOV-AWEZNQCLSA-N 0 0 393.723 4.685 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3c(C)onc3-c3ccccc3)sc2c1 ZINC000000811576 212184128 /nfs/dbraw/zinc/18/41/28/212184128.db2.gz KEAMMJDXYNXZLC-UHFFFAOYSA-N 0 0 379.441 4.911 50 0 GJAARN COc1ccccc1N[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000000808671 212183980 /nfs/dbraw/zinc/18/39/80/212183980.db2.gz ZPIJUHYBAWGDJD-INIZCTEOSA-N 0 0 387.694 4.542 50 0 GJAARN COc1ccc(-n2nnnc2-c2cnc3ccccc3c2-c2ccccc2)cc1 ZINC000000721412 212177985 /nfs/dbraw/zinc/17/79/85/212177985.db2.gz CFKNMCBWMVVKRA-UHFFFAOYSA-N 0 0 379.423 4.553 50 0 GJAARN CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1ccc(OC)cc1 ZINC000000717932 212176350 /nfs/dbraw/zinc/17/63/50/212176350.db2.gz JRCJTLVUUFDJDC-UHFFFAOYSA-N 0 0 375.639 4.971 50 0 GJAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000000671527 212172730 /nfs/dbraw/zinc/17/27/30/212172730.db2.gz VQVKSFQLRPTEDX-QHCPKHFHSA-N 0 0 388.536 4.869 50 0 GJAARN Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccc(Br)cc1 ZINC000000624211 212165666 /nfs/dbraw/zinc/16/56/66/212165666.db2.gz ZSUAQTOTZXJAEM-UHFFFAOYSA-N 0 0 377.263 4.695 50 0 GJAARN CCCc1nn(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1Cl ZINC000000633100 212167036 /nfs/dbraw/zinc/16/70/36/212167036.db2.gz SPSYPOQEGZMQJY-UHFFFAOYSA-N 0 0 380.197 4.951 50 0 GJAARN CCCc1nn(C)c(C(=O)Nc2ccc(C(=O)c3ccc(C)cc3)cc2)c1Cl ZINC000000633104 212167204 /nfs/dbraw/zinc/16/72/04/212167204.db2.gz MQXPNGDUUYATTF-UHFFFAOYSA-N 0 0 395.890 4.818 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000000623065 212166162 /nfs/dbraw/zinc/16/61/62/212166162.db2.gz VCFDUOPPINNGNB-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN Cc1sc2ncnc(Sc3nnc4cc(C)c5ccccc5n43)c2c1C ZINC000000628323 212165499 /nfs/dbraw/zinc/16/54/99/212165499.db2.gz OKNYFCGBUQNSDL-UHFFFAOYSA-N 0 0 377.498 4.964 50 0 GJAARN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000000651287 212169770 /nfs/dbraw/zinc/16/97/70/212169770.db2.gz UNMRCZCCVFTIQH-UHFFFAOYSA-N 0 0 384.328 4.637 50 0 GJAARN COc1ccccc1CNC(=O)c1c(C)n(-c2ccccc2)nc1-c1ccccc1 ZINC000000651018 212169567 /nfs/dbraw/zinc/16/95/67/212169567.db2.gz FZCDIGKVYGDGHP-UHFFFAOYSA-N 0 0 397.478 4.786 50 0 aggregator GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000000652749 212169264 /nfs/dbraw/zinc/16/92/64/212169264.db2.gz ORAYMPDEWUVKBK-UHFFFAOYSA-N 0 0 390.699 4.649 50 0 GJAARN O=C(Oc1cccc2c(OC(=O)N3CCCCC3)cccc12)N1CCCCC1 ZINC000000644388 212168667 /nfs/dbraw/zinc/16/86/67/212168667.db2.gz FUHILLKMLWBXMA-UHFFFAOYSA-N 0 0 382.460 4.809 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2c1ccc1cc(C)ccc12 ZINC000000638946 212168459 /nfs/dbraw/zinc/16/84/59/212168459.db2.gz YFWJGBHJSYGDPD-UHFFFAOYSA-N 0 0 387.435 4.817 50 0 GJAARN Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)/C=C/c1cccnc1 ZINC000152230279 212160624 /nfs/dbraw/zinc/16/06/24/212160624.db2.gz ANQDFQHUJYKCRR-BJMVGYQFSA-N 0 0 386.430 4.735 50 0 GJAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)c(Br)c1 ZINC000096635053 212156558 /nfs/dbraw/zinc/15/65/58/212156558.db2.gz ZAWCHPZAKLZYGP-RIYZIHGNSA-N 0 0 380.600 4.586 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)Nc1ccc(F)c(F)c1F ZINC000096620054 212155891 /nfs/dbraw/zinc/15/58/91/212155891.db2.gz DBADYKNSNBDBPA-FLIBITNWSA-N 0 0 399.416 4.926 50 0 GJAARN O=C1OC(c2cccc(Br)c2)=N/C1=C/c1ccc2ccccc2c1 ZINC000003131207 212146638 /nfs/dbraw/zinc/14/66/38/212146638.db2.gz JRXFLEPBYPBHIO-WOJGMQOQSA-N 0 0 378.225 4.947 50 0 GJAARN CCOC(=O)[C@H](C)Oc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586204 212146655 /nfs/dbraw/zinc/14/66/55/212146655.db2.gz BSCZPRNIGZIQNP-AWEZNQCLSA-N 0 0 392.407 4.845 50 0 biogenic GJAARN COc1ccc(-c2coc3c(ccc4c3CN(C3CCCCC3)CO4)c2=O)cc1 ZINC000013687499 212149838 /nfs/dbraw/zinc/14/98/38/212149838.db2.gz LPYZOFKKTIKNPR-UHFFFAOYSA-N 0 0 391.467 4.953 50 0 biogenic GJAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)c1ccncc1 ZINC000012408148 212149621 /nfs/dbraw/zinc/14/96/21/212149621.db2.gz ALRXNBFMQRRPLQ-UHFFFAOYSA-N 0 0 376.799 4.761 50 0 GJAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4cccnc4)ccc3o2)cc1 ZINC000009660102 212147881 /nfs/dbraw/zinc/14/78/81/212147881.db2.gz GHOFFGVYGGGDQM-UHFFFAOYSA-N 0 0 386.407 4.506 50 0 GJAARN CC(C)Cn1ccc2c1cccc2NC(=O)CC1(n2cccc2)CCOCC1 ZINC000263588398 212141662 /nfs/dbraw/zinc/14/16/62/212141662.db2.gz SYUZDNUDHYJBTK-UHFFFAOYSA-N 0 0 379.504 4.633 50 0 GJAARN Fc1cccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)c1 ZINC000263618347 212142074 /nfs/dbraw/zinc/14/20/74/212142074.db2.gz SNAHWLPOFFLAEK-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c(C)o1 ZINC000000639089 212142100 /nfs/dbraw/zinc/14/21/00/212142100.db2.gz ZMADVJFOYAPZRL-UHFFFAOYSA-N 0 0 386.400 4.573 50 0 biogenic GJAARN COc1ccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 ZINC000001020370 212142141 /nfs/dbraw/zinc/14/21/41/212142141.db2.gz ZCIYDIOIEKRGJT-BJKOFHAPSA-N 0 0 387.483 4.606 50 0 biogenic GJAARN COC1CCN(c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000253405991 212136280 /nfs/dbraw/zinc/13/62/80/212136280.db2.gz UBJXWZHDDWIJHU-UHFFFAOYSA-N 0 0 393.314 4.539 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1cn2c(n1)SCC2 ZINC000253470975 212136158 /nfs/dbraw/zinc/13/61/58/212136158.db2.gz AINLHDHKBIXSBG-UHFFFAOYSA-N 0 0 385.876 4.570 50 0 GJAARN O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(-c2ccsc2)cc1 ZINC000253402680 212135617 /nfs/dbraw/zinc/13/56/17/212135617.db2.gz ONDGCANJDMSYNT-LJQANCHMSA-N 0 0 398.553 4.528 50 0 GJAARN COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)c1 ZINC000245380869 212134113 /nfs/dbraw/zinc/13/41/13/212134113.db2.gz QLWWNOXCYJZUCG-XMMPIXPASA-N 0 0 394.465 4.990 50 0 GJAARN CSc1ccc(-c2csc([C@H]3COCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC000328600068 212083122 /nfs/dbraw/zinc/08/31/22/212083122.db2.gz VKKVAGNYLTWSHK-MRXNPFEDSA-N 0 0 392.546 4.840 50 0 GJAARN COc1ccc(CCNC(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004541855 212079564 /nfs/dbraw/zinc/07/95/64/212079564.db2.gz OEQXOFVDCCJSFI-UHFFFAOYSA-N 0 0 383.875 4.900 50 0 GJAARN COc1ccc(OC)c(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)c1 ZINC000011668040 212078131 /nfs/dbraw/zinc/07/81/31/212078131.db2.gz DYVASEYIKAVCSK-NRFANRHFSA-N 0 0 393.487 4.789 50 0 GJAARN CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000001165177 209116412 /nfs/dbraw/zinc/11/64/12/209116412.db2.gz KEYGAMJKULMCPR-UHFFFAOYSA-N 0 0 387.435 4.742 50 0 GJAARN CCn1cc(Br)c(C(=O)N(C2CCCCC2)C2CCCCC2)n1 ZINC000002780809 209116190 /nfs/dbraw/zinc/11/61/90/209116190.db2.gz BOCSQQYNDRSHPA-UHFFFAOYSA-N 0 0 382.346 4.773 50 0 GJAARN Cc1c2ccc(Br)cc2oc1C(=O)Nc1cccc2c1OCCO2 ZINC000334162879 206255314 /nfs/dbraw/zinc/25/53/14/206255314.db2.gz STWWWEJOOQNYPX-UHFFFAOYSA-N 0 0 388.217 4.527 50 0 GJAARN O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccccc1C(F)(F)F ZINC000035110619 206257726 /nfs/dbraw/zinc/25/77/26/206257726.db2.gz CXWUIBGBSBCEKY-GDNBJRDFSA-N 0 0 378.375 4.811 50 0 GJAARN Cc1nc(-c2ccccc2)c(C(=O)NCC2(c3ccccc3)CCOCC2)s1 ZINC000192682339 206260954 /nfs/dbraw/zinc/26/09/54/206260954.db2.gz ROSYYPSQSMMDHT-UHFFFAOYSA-N 0 0 392.524 4.597 50 0 GJAARN O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(-c2ccsc2)cc1 ZINC000244998622 206280583 /nfs/dbraw/zinc/28/05/83/206280583.db2.gz KMTCETRZYJNINA-FQEVSTJZSA-N 0 0 398.553 4.528 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1ccncc1)CC(=O)O2 ZINC000253396414 206280830 /nfs/dbraw/zinc/28/08/30/206280830.db2.gz BBYRAVVBSGDVAT-QGZVFWFLSA-N 0 0 383.403 4.604 50 0 biogenic GJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1 ZINC000253412797 206282617 /nfs/dbraw/zinc/28/26/17/206282617.db2.gz SBDJBBODLHKLJI-IBGZPJMESA-N 0 0 398.414 4.910 50 0 biogenic GJAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000000945039 206290458 /nfs/dbraw/zinc/29/04/58/206290458.db2.gz AWFHGEHRFCYAFC-UHFFFAOYSA-N 0 0 388.375 4.813 50 0 biogenic GJAARN Cc1c2ccc(O[C@H]3CCCCC3=O)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000004027683 206292608 /nfs/dbraw/zinc/29/26/08/206292608.db2.gz ICEISICUERNBOJ-QFIPXVFZSA-N 0 0 376.452 4.891 50 0 biogenic GJAARN O=C(/C=C\c1c(F)cccc1F)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000096401792 206301084 /nfs/dbraw/zinc/30/10/84/206301084.db2.gz HOWXZQHMGWDETL-KHPPLWFESA-N 0 0 379.410 4.817 50 0 GJAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc(C)cc1 ZINC000000625355 206308774 /nfs/dbraw/zinc/30/87/74/206308774.db2.gz BNAWCLZNFQXSKL-UHFFFAOYSA-N 0 0 392.933 4.850 50 0 GJAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1 ZINC000000631188 206309330 /nfs/dbraw/zinc/30/93/30/206309330.db2.gz AEKBBMOXLXIZAP-SJORKVTESA-N 0 0 375.259 4.740 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1C ZINC000000628175 206309855 /nfs/dbraw/zinc/30/98/55/206309855.db2.gz YMCOKERVXVNMCY-UHFFFAOYSA-N 0 0 376.485 4.539 50 0 GJAARN Brc1cc(Br)c(Br)c(Br)c1 ZINC000000641932 206310571 /nfs/dbraw/zinc/31/05/71/206310571.db2.gz YPFCYPZKFQPCOC-UHFFFAOYSA-N 0 0 393.698 4.737 50 0 GJAARN CC(C)(C)c1ccc(-c2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)cc1 ZINC000000641700 206311015 /nfs/dbraw/zinc/31/10/15/206311015.db2.gz XKENYPSNHOWLLO-KRWDZBQOSA-N 0 0 392.484 4.663 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1cc(Br)c(Br)s1 ZINC000000646304 206311520 /nfs/dbraw/zinc/31/15/20/206311520.db2.gz BMSFBEBOYAKMAY-UHFFFAOYSA-N 0 0 379.048 4.665 50 0 GJAARN CCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)cn1 ZINC000000648588 206311930 /nfs/dbraw/zinc/31/19/30/206311930.db2.gz LIGTUDVYUSIXDN-UHFFFAOYSA-N 0 0 384.483 4.665 50 0 GJAARN O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000645406 206312389 /nfs/dbraw/zinc/31/23/89/206312389.db2.gz UUIMGJZPNJQYJD-UHFFFAOYSA-N 0 0 385.609 4.568 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)c2C(=O)OC(C)C)cc1 ZINC000000668937 206313856 /nfs/dbraw/zinc/31/38/56/206313856.db2.gz DSMWNMWUKUDDGO-KRWDZBQOSA-N 0 0 387.501 4.660 50 0 GJAARN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1I ZINC000000671652 206315358 /nfs/dbraw/zinc/31/53/58/206315358.db2.gz SUHRZHNXMZURLB-UHFFFAOYSA-N 0 0 386.620 4.897 50 0 GJAARN O=C(c1ccc(COc2ccccc2Br)o1)N1CCCCCC1 ZINC000000672734 206315463 /nfs/dbraw/zinc/31/54/63/206315463.db2.gz WMIVDCBINGFJRG-UHFFFAOYSA-N 0 0 378.266 4.637 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)c1 ZINC000000691622 206316311 /nfs/dbraw/zinc/31/63/11/206316311.db2.gz VTAZOZJNFQVSSX-UHFFFAOYSA-N 0 0 393.512 4.992 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1OC ZINC000000688715 206316887 /nfs/dbraw/zinc/31/68/87/206316887.db2.gz ZVAWENWXTHPNKN-MRXNPFEDSA-N 0 0 390.483 4.934 50 0 GJAARN COc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1OC ZINC000000706762 206317391 /nfs/dbraw/zinc/31/73/91/206317391.db2.gz PIHZRVPXWYQXIE-UHFFFAOYSA-N 0 0 390.464 4.794 50 0 GJAARN CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC2CCCCC2)=C1C ZINC000000707389 206317911 /nfs/dbraw/zinc/31/79/11/206317911.db2.gz UEZLBNYNGDMRSS-SFHVURJKSA-N 0 0 376.884 4.576 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000000692321 206318146 /nfs/dbraw/zinc/31/81/46/206318146.db2.gz OXJKLMZODXXUPK-UHFFFAOYSA-N 0 0 395.802 4.668 50 0 GJAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CCCC2 ZINC000000708532 206318302 /nfs/dbraw/zinc/31/83/02/206318302.db2.gz HDWGHCKQJDNURH-UHFFFAOYSA-N 0 0 386.517 4.872 50 0 GJAARN COc1cccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)c1 ZINC000000713869 206319023 /nfs/dbraw/zinc/31/90/23/206319023.db2.gz QJLPVHZHKYAWHT-UHFFFAOYSA-N 0 0 380.517 4.522 50 0 GJAARN COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1 ZINC000000755777 206320572 /nfs/dbraw/zinc/32/05/72/206320572.db2.gz GNQFQWVTCVMDNC-UHFFFAOYSA-N 0 0 375.453 4.806 50 0 GJAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4cccs4)c3n2)cc1 ZINC000000815350 206323824 /nfs/dbraw/zinc/32/38/24/206323824.db2.gz CMMIQCJLWPGRAG-UHFFFAOYSA-N 0 0 398.438 4.634 50 0 GJAARN O=c1[nH]c(SCCc2ccccc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000009521437 206331791 /nfs/dbraw/zinc/33/17/91/206331791.db2.gz QAHURPDAASYOJT-UHFFFAOYSA-N 0 0 382.876 4.509 50 0 GJAARN CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)nc1C ZINC000000822249 206324595 /nfs/dbraw/zinc/32/45/95/206324595.db2.gz BXXRUQQWRIFMAU-UHFFFAOYSA-N 0 0 380.878 4.749 50 0 GJAARN Cc1nnc(Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)s1 ZINC000000847487 206327328 /nfs/dbraw/zinc/32/73/28/206327328.db2.gz BORCEGKFVCIFDZ-UHFFFAOYSA-N 0 0 393.501 4.670 50 0 GJAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000000882201 206330184 /nfs/dbraw/zinc/33/01/84/206330184.db2.gz NAEIPSPPGTVXFV-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1 ZINC000000888740 206332301 /nfs/dbraw/zinc/33/23/01/206332301.db2.gz AGTZTRPBFSCFQN-UHFFFAOYSA-N 0 0 394.909 4.939 50 0 GJAARN Cc1c(C)c2ccc(OCc3ccc(Br)cc3F)cc2oc1=O ZINC000001134381 206357849 /nfs/dbraw/zinc/35/78/49/206357849.db2.gz XUMDDNVYEKYWQU-UHFFFAOYSA-N 0 0 377.209 4.890 50 0 GJAARN O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1Cl ZINC000000941346 206335901 /nfs/dbraw/zinc/33/59/01/206335901.db2.gz KBFQGXDRTBBXBL-UHFFFAOYSA-N 0 0 385.609 4.568 50 0 GJAARN CN(C(=O)Oc1cccc(OC(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000000938391 206335969 /nfs/dbraw/zinc/33/59/69/206335969.db2.gz XXIUULLYXYCSDZ-UHFFFAOYSA-N 0 0 376.412 4.957 50 0 GJAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(C(=O)OC)cc1 ZINC000000954340 206337772 /nfs/dbraw/zinc/33/77/72/206337772.db2.gz QPUSMXPMXSAOKD-UHFFFAOYSA-N 0 0 384.819 4.595 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000000975417 206338004 /nfs/dbraw/zinc/33/80/04/206338004.db2.gz CVXMEVQNQYUPMK-UHFFFAOYSA-N 0 0 379.843 4.761 50 0 GJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000000995627 206339950 /nfs/dbraw/zinc/33/99/50/206339950.db2.gz SWLSHNFDEWBASP-GFCCVEGCSA-N 0 0 390.936 4.904 50 0 GJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(N)=O)C1 ZINC000001002399 206340577 /nfs/dbraw/zinc/34/05/77/206340577.db2.gz ORUPXWFIFZMHMP-JTQLQIEISA-N 0 0 392.471 4.529 50 0 GJAARN CCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000001010612 206341751 /nfs/dbraw/zinc/34/17/51/206341751.db2.gz YAYCWGSVXNDGCE-UHFFFAOYSA-N 0 0 386.407 4.628 50 0 GJAARN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000001017542 206342654 /nfs/dbraw/zinc/34/26/54/206342654.db2.gz JTUSTXAYPJQERE-INIZCTEOSA-N 0 0 392.886 4.615 50 0 GJAARN CCOC(=O)c1c(C)noc1-c1csc(COc2ccc(Cl)cc2)n1 ZINC000001031484 206343215 /nfs/dbraw/zinc/34/32/15/206343215.db2.gz XSTFRIFNZHVUSL-UHFFFAOYSA-N 0 0 378.837 4.516 50 0 GJAARN COc1ccc(-c2ccnc(SCC(=O)c3ccc(Cl)s3)n2)cc1 ZINC000001028763 206343533 /nfs/dbraw/zinc/34/35/33/206343533.db2.gz QDZKDMLIHUOMCS-UHFFFAOYSA-N 0 0 376.890 4.842 50 0 GJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000001031519 206343558 /nfs/dbraw/zinc/34/35/58/206343558.db2.gz LZDHMWCPIFEZJE-UHFFFAOYSA-N 0 0 387.386 4.836 50 0 GJAARN O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000001029925 206343642 /nfs/dbraw/zinc/34/36/42/206343642.db2.gz CXWQWGORUAAPDK-UHFFFAOYSA-N 0 0 380.753 4.944 50 0 GJAARN CS(=O)(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000001140055 206358163 /nfs/dbraw/zinc/35/81/63/206358163.db2.gz PPTOYHNJRVKJGO-UHFFFAOYSA-N 0 0 380.494 4.616 50 0 aggregator GJAARN Cc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)o1 ZINC000001036591 206344125 /nfs/dbraw/zinc/34/41/25/206344125.db2.gz CUUYCIWBEHCXIX-RGEXLXHISA-N 0 0 384.460 4.539 50 0 GJAARN CC(C)=CC(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc32)s1 ZINC000001043167 206344147 /nfs/dbraw/zinc/34/41/47/206344147.db2.gz XEPUBJUDQJDASJ-UHFFFAOYSA-N 0 0 376.894 4.796 50 0 GJAARN COc1ccc(NC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c(OC)c1 ZINC000001040089 206344763 /nfs/dbraw/zinc/34/47/63/206344763.db2.gz IBKXENGMFDSBJH-UHFFFAOYSA-N 0 0 386.448 4.678 50 0 GJAARN Cc1ccc2[nH]c(=S)n(-c3ccc(Br)cc3Cl)c(=O)c2c1 ZINC000001045784 206345562 /nfs/dbraw/zinc/34/55/62/206345562.db2.gz YGKDQJHXHOYGEL-UHFFFAOYSA-N 0 0 381.682 4.773 50 0 GJAARN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NCc1cccs1 ZINC000001046213 206345679 /nfs/dbraw/zinc/34/56/79/206345679.db2.gz YNRRNIXDGZUDGQ-UHFFFAOYSA-N 0 0 383.313 4.724 50 0 GJAARN FC(F)Oc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 ZINC000001051504 206345696 /nfs/dbraw/zinc/34/56/96/206345696.db2.gz QNJUYGJRLUZRPY-HOTGVXAUSA-N 0 0 376.794 4.679 50 0 GJAARN CC(C)(C)c1ccc(-c2nnc(NC(=O)C(Cl)(Cl)Cl)s2)cc1 ZINC000001047209 206345746 /nfs/dbraw/zinc/34/57/46/206345746.db2.gz IBSBTQYVQSTLLG-UHFFFAOYSA-N 0 0 378.712 4.811 50 0 GJAARN O=S(=O)(c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000001048940 206346150 /nfs/dbraw/zinc/34/61/50/206346150.db2.gz LBHQKQGLGPQRKU-UHFFFAOYSA-N 0 0 386.300 4.960 50 0 GJAARN COc1cc(C=O)cc(Br)c1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001053153 206347218 /nfs/dbraw/zinc/34/72/18/206347218.db2.gz ZHAIWJJYPWNPNU-UHFFFAOYSA-N 0 0 391.261 4.787 50 0 GJAARN CCCc1cc(C(=O)OC)c(NC(=O)c2ccccc2Br)s1 ZINC000001056273 206347306 /nfs/dbraw/zinc/34/73/06/206347306.db2.gz OCAUZVQBHUSUHR-UHFFFAOYSA-N 0 0 382.279 4.502 50 0 GJAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2s1 ZINC000001068672 206348222 /nfs/dbraw/zinc/34/82/22/206348222.db2.gz AHPOVWPCNUAFSX-UHFFFAOYSA-N 0 0 397.500 4.669 50 0 GJAARN Cc1ccc(C(=O)CSc2nnc(Nc3ccccc3)n2-c2ccccc2)o1 ZINC000001076364 206349532 /nfs/dbraw/zinc/34/95/32/206349532.db2.gz GJUZPIOWDJLNIH-UHFFFAOYSA-N 0 0 390.468 4.887 50 0 GJAARN O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1cccs1 ZINC000001075790 206349823 /nfs/dbraw/zinc/34/98/23/206349823.db2.gz LPFYZCMAMXRNSU-UHFFFAOYSA-N 0 0 399.855 4.656 50 0 GJAARN CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)cc1C ZINC000001072073 206350103 /nfs/dbraw/zinc/35/01/03/206350103.db2.gz HRYXKBMSXLOLOF-UHFFFAOYSA-N 0 0 397.496 4.670 50 0 GJAARN O=C(Cc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 ZINC000001088523 206351109 /nfs/dbraw/zinc/35/11/09/206351109.db2.gz PDOVHCQFOXDJMM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/35/40/45/206354045.db2.gz PWYVCIPNEJLUKT-HXUWFJFHSA-N 0 0 396.284 4.977 50 0 GJAARN Cc1ccc(N2CCN(C(=S)Nc3ccccc3C(F)(F)F)C[C@H]2C)cc1 ZINC000001117684 206354388 /nfs/dbraw/zinc/35/43/88/206354388.db2.gz VGXVHTATCWJBMY-OAHLLOKOSA-N 0 0 393.478 4.921 50 0 GJAARN Clc1ccccc1[C@H]1C[C@H](c2cccc(Br)c2)n2ncnc2N1 ZINC000001129357 206356196 /nfs/dbraw/zinc/35/61/96/206356196.db2.gz OFJYLVQCNQKRJP-HZPDHXFCSA-N 0 0 389.684 4.840 50 0 GJAARN COc1ccc(CCNc2nc(-c3sc(C)nc3C)cs2)cc1OC ZINC000001123801 206356619 /nfs/dbraw/zinc/35/66/19/206356619.db2.gz VQYVCSPBERHZRU-UHFFFAOYSA-N 0 0 375.519 4.555 50 0 GJAARN S=C(c1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001130892 206357205 /nfs/dbraw/zinc/35/72/05/206357205.db2.gz RUAOMZJTFGQIQH-UHFFFAOYSA-N 0 0 395.753 4.600 50 0 GJAARN COc1ccc(SCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000010219175 206375144 /nfs/dbraw/zinc/37/51/44/206375144.db2.gz XSSYAQPXHQRNRS-UHFFFAOYSA-N 0 0 398.509 4.752 50 0 GJAARN CSc1ccc(CC(=O)Nc2nc3c(cccc3Br)s2)cc1 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CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)o1 ZINC000015881420 207066209 /nfs/dbraw/zinc/06/62/09/207066209.db2.gz HPLCDOFPARGXLI-UHFFFAOYSA-N 0 0 380.835 4.546 50 0 GJAARN Cc1ccc(N(C)S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1 ZINC000015942509 207068604 /nfs/dbraw/zinc/06/86/04/207068604.db2.gz GLXAMGZCILXDKM-UHFFFAOYSA-N 0 0 382.485 4.661 50 0 GJAARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000015822412 207061814 /nfs/dbraw/zinc/06/18/14/207061814.db2.gz PGEHCTQVPUQBQP-PJYWLYPCSA-N 0 0 397.449 4.571 50 0 GJAARN COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000016960278 207081415 /nfs/dbraw/zinc/08/14/15/207081415.db2.gz UIGJNCHNMDFWRY-UHFFFAOYSA-N 0 0 386.451 4.541 50 0 GJAARN CCc1ccccc1NC(=S)NCCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000017081043 207084456 /nfs/dbraw/zinc/08/44/56/207084456.db2.gz RZRQXNSDIDDHOR-UHFFFAOYSA-N 0 0 396.482 4.718 50 0 GJAARN Oc1ccc(C2=CCN(C(=S)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000017457099 207090206 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O=c1cc(CN2CCC[C@@H]2c2cccs2)nc2scc(-c3ccccc3)n21 ZINC000021473124 207230071 /nfs/dbraw/zinc/23/00/71/207230071.db2.gz NRUIMKAXLOYOMA-QGZVFWFLSA-N 0 0 393.537 4.822 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C ZINC000021529762 207230711 /nfs/dbraw/zinc/23/07/11/207230711.db2.gz ZKRUETPGTFLBHY-UHFFFAOYSA-N 0 0 399.853 4.658 50 0 GJAARN CCc1cccc(NC(=O)C[C@@H](c2cccc(OC)c2OC)n2cccc2)c1 ZINC000020997810 207223048 /nfs/dbraw/zinc/22/30/48/207223048.db2.gz PMKHZRMVTVSYJE-FQEVSTJZSA-N 0 0 378.472 4.686 50 0 GJAARN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3nc2C(F)(F)F)c1 ZINC000020985326 207223654 /nfs/dbraw/zinc/22/36/54/207223654.db2.gz MNPKTRVNUDVJHK-UHFFFAOYSA-N 0 0 391.418 4.996 50 0 GJAARN CCn1c(SCc2cc(=O)c3cc(C)cc(C)c3[nH]2)nnc1-c1cccs1 ZINC000021098847 207225864 /nfs/dbraw/zinc/22/58/64/207225864.db2.gz LUGCSAFCSZFWQT-UHFFFAOYSA-N 0 0 396.541 4.777 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1cccc(Nc2cnc3ccccc3n2)c1 ZINC000021096697 207225894 /nfs/dbraw/zinc/22/58/94/207225894.db2.gz 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ZINC000023104407 207268867 /nfs/dbraw/zinc/26/88/67/207268867.db2.gz BPDRGFNQVOYVLL-UHFFFAOYSA-N 0 0 385.543 4.837 50 0 GJAARN O=C(Nc1ccccc1F)c1ccc([C@H]2CCCN2Cc2cccnc2)s1 ZINC000023145286 207270358 /nfs/dbraw/zinc/27/03/58/207270358.db2.gz JGFPROYHWGDWCM-GOSISDBHSA-N 0 0 381.476 4.872 50 0 GJAARN COc1cccc(CCNC(=O)c2c(C)noc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000023307667 207271599 /nfs/dbraw/zinc/27/15/99/207271599.db2.gz XMVLKUOGVJKTGX-UHFFFAOYSA-N 0 0 392.499 4.929 50 0 GJAARN Cc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)n1-c1cccc(C)c1 ZINC000024105573 207286874 /nfs/dbraw/zinc/28/68/74/207286874.db2.gz CLVNMGPXLKPZDB-UHFFFAOYSA-N 0 0 387.892 4.601 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2ccsc2)o1 ZINC000024384316 207290180 /nfs/dbraw/zinc/29/01/80/207290180.db2.gz DEVSCJRTTXDRLT-UHFFFAOYSA-N 0 0 377.469 4.774 50 0 GJAARN CNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 ZINC000024832005 207295906 /nfs/dbraw/zinc/29/59/06/207295906.db2.gz OSMFQXBZAZFWRY-UHFFFAOYSA-N 0 0 379.485 4.545 50 0 GJAARN O=C(c1ccccc1C(F)(F)F)N1CCC(Cn2cnc3ccccc32)CC1 ZINC000038533672 207309707 /nfs/dbraw/zinc/30/97/07/207309707.db2.gz XIJZPQVWENCZAJ-UHFFFAOYSA-N 0 0 387.405 4.608 50 0 GJAARN COCCN1C(=O)c2ccccc2N[C@@H]1c1csc(-c2ccc(Cl)cc2)n1 ZINC000025310672 207303406 /nfs/dbraw/zinc/30/34/06/207303406.db2.gz PYNFNZADVIAWQI-SFHVURJKSA-N 0 0 399.903 4.676 50 0 GJAARN O=C(NCc1ccc(Br)s1)c1cccnc1Oc1ccccc1 ZINC000025475312 207304245 /nfs/dbraw/zinc/30/42/45/207304245.db2.gz XQEQTPRUACQASK-UHFFFAOYSA-N 0 0 389.274 4.628 50 0 GJAARN COc1ccc(Nc2nc(-c3ccc4c(c3)C[C@@H](C)N4C(C)=O)cs2)cc1 ZINC000026981050 207320551 /nfs/dbraw/zinc/32/05/51/207320551.db2.gz WVMBTMRXTBRUKF-CYBMUJFWSA-N 0 0 379.485 4.860 50 0 GJAARN Cc1cnc(NC(=O)Cc2csc(SCc3cc(C)ccc3C)n2)s1 ZINC000038581048 207312109 /nfs/dbraw/zinc/31/21/09/207312109.db2.gz JOOGOTVCMYBMLM-UHFFFAOYSA-N 0 0 389.571 4.998 50 0 GJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000026603767 207316144 /nfs/dbraw/zinc/31/61/44/207316144.db2.gz BLFZBSMKTQXZKF-INIZCTEOSA-N 0 0 390.270 4.738 50 0 GJAARN COc1cccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2N)c1 ZINC000027789185 207329693 /nfs/dbraw/zinc/32/96/93/207329693.db2.gz GWMRIKJKUPGUFI-UHFFFAOYSA-N 0 0 390.468 4.510 50 0 GJAARN CC[C@@H]1COC(=C(C(Sc2ccc(C)cc2)=C(Cl)Cl)[N+](=O)[O-])N1 ZINC000027571434 207327126 /nfs/dbraw/zinc/32/71/26/207327126.db2.gz MPQSPSFKQLCLCZ-ABQLBJTMSA-N 0 0 375.277 4.578 50 0 GJAARN CCc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccccn2)cc1 ZINC000027663232 207328928 /nfs/dbraw/zinc/32/89/28/207328928.db2.gz KFDLWPNDFDRXLO-UHFFFAOYSA-N 0 0 384.435 4.597 50 0 GJAARN Cc1cccc(-n2c(S[C@H]3CCCCCC3=O)nc3ccccc3c2=O)c1 ZINC000028188258 207335242 /nfs/dbraw/zinc/33/52/42/207335242.db2.gz MDTUDBOGFSCFBE-FQEVSTJZSA-N 0 0 378.497 4.688 50 0 GJAARN COc1cc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000040096202 207337950 /nfs/dbraw/zinc/33/79/50/207337950.db2.gz JNODNYFPQNUOEO-GFCCVEGCSA-N 0 0 378.856 4.591 50 0 GJAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000028404449 207341926 /nfs/dbraw/zinc/34/19/26/207341926.db2.gz NOBFGOQRXNFDQY-OAHLLOKOSA-N 0 0 378.472 4.947 50 0 GJAARN Cc1ccc(-c2noc(CSCC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000028907934 207351468 /nfs/dbraw/zinc/35/14/68/207351468.db2.gz LHVCIOVKAMJVHL-UHFFFAOYSA-N 0 0 387.892 4.879 50 0 GJAARN Cc1cc(C)cc(NCCC(=O)N[C@H](C)c2cccc(Br)c2)c1 ZINC000040152808 207354900 /nfs/dbraw/zinc/35/49/00/207354900.db2.gz BNVTYNAXOAZIAQ-OAHLLOKOSA-N 0 0 375.310 4.745 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2S[C@H]2CCCCCC2=O)cc1F ZINC000029394302 207361253 /nfs/dbraw/zinc/36/12/53/207361253.db2.gz QTZHUIUTZYYJSG-FQEVSTJZSA-N 0 0 396.487 4.827 50 0 GJAARN COc1cccc(-c2nc(C(=O)N(C)[C@@H]3CCc4ccccc43)cs2)c1OC ZINC000029648452 207365743 /nfs/dbraw/zinc/36/57/43/207365743.db2.gz ZBSQGRPWHKVMRW-GOSISDBHSA-N 0 0 394.496 4.587 50 0 GJAARN FC(F)(F)c1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000029842892 207367004 /nfs/dbraw/zinc/36/70/04/207367004.db2.gz WYIYZOXWNYJKBL-UHFFFAOYSA-N 0 0 377.435 4.637 50 0 GJAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000030479859 207372245 /nfs/dbraw/zinc/37/22/45/207372245.db2.gz LFHXXTZZPWQLCJ-UHFFFAOYSA-N 0 0 387.483 4.535 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(-n2ccnc2)cc1 ZINC000030758421 207373649 /nfs/dbraw/zinc/37/36/49/207373649.db2.gz PQXVPOXXJVHVMU-UHFFFAOYSA-N 0 0 381.479 4.711 50 0 GJAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)c4ccccc4)c(C)c3cc12 ZINC000030819234 207375843 /nfs/dbraw/zinc/37/58/43/207375843.db2.gz NOYKMUOHZGFCKC-MRXNPFEDSA-N 0 0 389.451 4.966 50 0 GJAARN O=C(NCc1ccc(F)cc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000030988012 207380823 /nfs/dbraw/zinc/38/08/23/207380823.db2.gz LFDZIJOJOZYYGW-OAQYLSRUSA-N 0 0 387.458 4.938 50 0 GJAARN CCOc1ccccc1CN(C[C@H](C)O)C(=O)Nc1cccc2ccccc21 ZINC000031663181 207385186 /nfs/dbraw/zinc/38/51/86/207385186.db2.gz NSQKWDKGQHXMTA-KRWDZBQOSA-N 0 0 378.472 4.653 50 0 GJAARN COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OCc1ccc(F)cc1 ZINC000032093519 207391263 /nfs/dbraw/zinc/39/12/63/207391263.db2.gz HLRKQSMUJPOEDZ-CQSZACIVSA-N 0 0 399.447 4.576 50 0 GJAARN O=C(N[C@@H]1CCSc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032339357 207393938 /nfs/dbraw/zinc/39/39/38/207393938.db2.gz BHMZTIPWQKLFGS-LJQANCHMSA-N 0 0 375.497 4.717 50 0 GJAARN CCc1ccc(Cn2nccc2NC(=O)c2cc3ccc(F)cc3nc2C)cc1 ZINC000032857714 207412616 /nfs/dbraw/zinc/41/26/16/207412616.db2.gz LEWULHVNJSGISP-UHFFFAOYSA-N 0 0 388.446 4.742 50 0 GJAARN Cc1cc(Br)c(NC(=O)OCC(F)(F)F)c(Br)c1 ZINC000032628798 207398797 /nfs/dbraw/zinc/39/87/97/207398797.db2.gz CCOQBRSUIKMOND-UHFFFAOYSA-N 0 0 390.981 4.631 50 0 GJAARN O=C(NCCn1c2ccccc2nc1C(F)(F)F)Nc1cccc(Cl)c1 ZINC000032951110 207424424 /nfs/dbraw/zinc/42/44/24/207424424.db2.gz ZWTDRSWQDOMNJG-UHFFFAOYSA-N 0 0 382.773 4.530 50 0 GJAARN O=C(NCc1cccs1)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033129635 207440090 /nfs/dbraw/zinc/44/00/90/207440090.db2.gz BZDIQHNBVPQYFH-UHFFFAOYSA-N 0 0 379.416 4.534 50 0 GJAARN Cc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c1 ZINC000033173473 207443640 /nfs/dbraw/zinc/44/36/40/207443640.db2.gz BMBRQQOFGPJLIA-UHFFFAOYSA-N 0 0 396.390 4.778 50 0 GJAARN COc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1Cc1ccccc1 ZINC000033236112 207443674 /nfs/dbraw/zinc/44/36/74/207443674.db2.gz SIPUBQKFZAHOQP-UHFFFAOYSA-N 0 0 385.261 4.629 50 0 GJAARN Cc1cccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033267871 207447177 /nfs/dbraw/zinc/44/71/77/207447177.db2.gz OSPAROWWWDTTTC-NRFANRHFSA-N 0 0 384.483 4.835 50 0 GJAARN O=C(NC1CC1)c1csc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000034714286 207473594 /nfs/dbraw/zinc/47/35/94/207473594.db2.gz JWLNSNDWNCQINW-UHFFFAOYSA-N 0 0 384.888 4.935 50 0 GJAARN CC(C)Cc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(Cl)cc1 ZINC000034794648 207474583 /nfs/dbraw/zinc/47/45/83/207474583.db2.gz AEPWRIFLIHJJMT-UHFFFAOYSA-N 0 0 397.862 4.910 50 0 GJAARN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccco2)c2c[nH]c3ccccc32)cc1 ZINC000033527853 207461395 /nfs/dbraw/zinc/46/13/95/207461395.db2.gz KJGMDBWBRPSZEP-KCNXZKISSA-N 0 0 399.494 4.788 50 0 GJAARN CC1CCN(C(=O)c2cn3c(n2)CC[C@H](c2cccc(C(F)(F)F)c2)C3)CC1 ZINC000034898694 207479327 /nfs/dbraw/zinc/47/93/27/207479327.db2.gz HDSCMNHFHMSUMG-INIZCTEOSA-N 0 0 391.437 4.504 50 0 GJAARN CC[C@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)C(C)C ZINC000035972085 207503436 /nfs/dbraw/zinc/50/34/36/207503436.db2.gz KABHULMNJALTAT-SFHVURJKSA-N 0 0 384.568 4.845 50 0 GJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)CC(C)C)C(C)(C)C)o1 ZINC000035764691 207499747 /nfs/dbraw/zinc/49/97/47/207499747.db2.gz WKYNGCOOCNZJOD-UHFFFAOYSA-N 0 0 398.547 4.790 50 0 GJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)=O ZINC000035980740 207505369 /nfs/dbraw/zinc/50/53/69/207505369.db2.gz QEBQQRCSNCCSKW-UHFFFAOYSA-N 0 0 377.488 4.946 50 0 GJAARN Cc1cccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(N(C)C(C)C)n2)c1 ZINC000035988690 207505594 /nfs/dbraw/zinc/50/55/94/207505594.db2.gz HUQZHTBPQXYAII-GOSISDBHSA-N 0 0 388.515 4.788 50 0 GJAARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246628 207518395 /nfs/dbraw/zinc/51/83/95/207518395.db2.gz CBXMUPYTCQVGBB-KRWDZBQOSA-N 0 0 397.496 4.660 50 0 GJAARN COc1ccccc1CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000036246518 207518595 /nfs/dbraw/zinc/51/85/95/207518595.db2.gz UTCZPWGYHBWGSU-UHFFFAOYSA-N 0 0 387.888 4.744 50 0 GJAARN Fc1cccc(-c2nnc([C@H]3CC34CCN(c3nc5ccccc5o3)CC4)o2)c1 ZINC000071890501 207549719 /nfs/dbraw/zinc/54/97/19/207549719.db2.gz YSPCBUNKDLVRAJ-MRXNPFEDSA-N 0 0 390.418 4.791 50 0 GJAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC000077200122 207554823 /nfs/dbraw/zinc/55/48/23/207554823.db2.gz GBCQQOPZAJTTKW-CABCVRRESA-N 0 0 390.842 4.769 50 0 GJAARN Cc1cc([C@@H](c2cccnc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545882 207558240 /nfs/dbraw/zinc/55/82/40/207558240.db2.gz SDQDWNGNUAXBKF-LJQANCHMSA-N 0 0 381.501 4.872 50 0 GJAARN O=C(NCC1(c2ccccc2)CCOCC1)Nc1cc(Cl)ccc1Cl ZINC000040095823 207575643 /nfs/dbraw/zinc/57/56/43/207575643.db2.gz RKTLZSVFROFDDB-UHFFFAOYSA-N 0 0 379.287 4.863 50 0 GJAARN COc1ccc(CCNC(=O)CCc2cn(C(C)C)c3ccccc23)cc1OC ZINC000079188415 207578258 /nfs/dbraw/zinc/57/82/58/207578258.db2.gz CFLWJKGONVMBRE-UHFFFAOYSA-N 0 0 394.515 4.531 50 0 biogenic GJAARN COc1ccc(OCc2cc(C(=O)Nc3ccc(N(C)C)cc3C)c(C)o2)cc1 ZINC000040111668 207578343 /nfs/dbraw/zinc/57/83/43/207578343.db2.gz LWYOWUQDSDGQPL-UHFFFAOYSA-N 0 0 394.471 4.802 50 0 GJAARN COc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040161260 207589063 /nfs/dbraw/zinc/58/90/63/207589063.db2.gz AXTJRSJRUNDASA-HXUWFJFHSA-N 0 0 386.455 4.677 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)cc(OC)c1O ZINC000040286353 207592314 /nfs/dbraw/zinc/59/23/14/207592314.db2.gz RPTAWQBNNSRMES-ZDUSSCGKSA-N 0 0 382.441 4.657 50 0 GJAARN CC1(C)Oc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cc2O1 ZINC000058370029 207775420 /nfs/dbraw/zinc/77/54/20/207775420.db2.gz IUCYYVQVZMDYRR-UHFFFAOYSA-N 0 0 379.456 4.674 50 0 GJAARN C[C@@H](OC[C@H](O)CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 ZINC000058012312 207760883 /nfs/dbraw/zinc/76/08/83/207760883.db2.gz YOSMAHDWDUYHQQ-RISCZKNCSA-N 0 0 396.921 4.682 50 0 GJAARN O=C(Nc1ccccc1F)c1ccc2c(c1)N(C(=O)Nc1ccccc1)CC2 ZINC000064611282 207806020 /nfs/dbraw/zinc/80/60/20/207806020.db2.gz LRJNGSYUIOVXQH-UHFFFAOYSA-N 0 0 375.403 4.673 50 0 GJAARN COc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)cc1 ZINC000064656251 207806275 /nfs/dbraw/zinc/80/62/75/207806275.db2.gz AMVFSNWKKRVTOR-UHFFFAOYSA-N 0 0 394.471 4.834 50 0 GJAARN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000059743536 207783375 /nfs/dbraw/zinc/78/33/75/207783375.db2.gz NBMIUIVVLSVUKR-GFCCVEGCSA-N 0 0 397.418 4.920 50 0 GJAARN CCOc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1 ZINC000064948664 207822038 /nfs/dbraw/zinc/82/20/38/207822038.db2.gz WEAMFDUYPNOEGB-UHFFFAOYSA-N 0 0 397.891 4.692 50 0 GJAARN Cc1ccc(Oc2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)cc1 ZINC000065005138 207827742 /nfs/dbraw/zinc/82/77/42/207827742.db2.gz SRTKCOGJXNCKBF-UHFFFAOYSA-N 0 0 385.423 4.767 50 0 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/nfs/dbraw/zinc/89/67/14/207896714.db2.gz RFPDRHJKTBKDRE-UHFFFAOYSA-N 0 0 379.847 4.872 50 0 GJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1CN1CCO[C@H](C(F)(F)F)C1 ZINC000071524550 207943027 /nfs/dbraw/zinc/94/30/27/207943027.db2.gz QVHREZGPROQTMM-ZDUSSCGKSA-N 0 0 395.208 4.720 50 0 GJAARN Cc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(C)n1C(C)C ZINC000069057440 207922670 /nfs/dbraw/zinc/92/26/70/207922670.db2.gz JNVZOWHEFNNWAH-UHFFFAOYSA-N 0 0 396.318 4.703 50 0 GJAARN c1csc(-c2noc(CCCSc3nnc(C4CCCCC4)o3)n2)c1 ZINC000070006702 207930639 /nfs/dbraw/zinc/93/06/39/207930639.db2.gz KAXKWMDSVVJOGZ-UHFFFAOYSA-N 0 0 376.507 4.954 50 0 GJAARN CCc1ccc(CNC(=O)c2sc(Nc3ccc(Cl)cn3)nc2C)cc1 ZINC000071326348 207936741 /nfs/dbraw/zinc/93/67/41/207936741.db2.gz NQWWBKIZEBFOEX-UHFFFAOYSA-N 0 0 386.908 4.736 50 0 GJAARN CCCCN(C(=O)Cc1csc(N2CCCC2=O)n1)[C@H](CC)c1ccccc1 ZINC000072285129 207991084 /nfs/dbraw/zinc/99/10/84/207991084.db2.gz JYEREQKHVPRMGH-LJQANCHMSA-N 0 0 399.560 4.592 50 0 GJAARN 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ZINC000004088092 208536302 /nfs/dbraw/zinc/53/63/02/208536302.db2.gz LMRZDODNVOVKNS-NRFANRHFSA-N 0 0 395.959 4.664 50 0 GJAARN O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccs1 ZINC000004167071 208538496 /nfs/dbraw/zinc/53/84/96/208538496.db2.gz DIMXBRXJCGEJMO-UHFFFAOYSA-N 0 0 382.432 4.863 50 0 GJAARN COc1cc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2cc1OC ZINC000004479913 208544680 /nfs/dbraw/zinc/54/46/80/208544680.db2.gz VLSZCPRJBMZYJJ-UHFFFAOYSA-N 0 0 389.285 4.934 50 0 GJAARN CCOc1ccc(C(=O)Nc2nc3c(cccc3Br)s2)cc1 ZINC000004348613 208545103 /nfs/dbraw/zinc/54/51/03/208545103.db2.gz WROUBGBGZAEZRI-UHFFFAOYSA-N 0 0 377.263 4.710 50 0 GJAARN CCN(CC)C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000004501289 208545728 /nfs/dbraw/zinc/54/57/28/208545728.db2.gz SFJYYPWJLNAZGG-UHFFFAOYSA-N 0 0 394.544 4.512 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000008959810 208701672 /nfs/dbraw/zinc/70/16/72/208701672.db2.gz MJGSDRRBUSXJSY-UHFFFAOYSA-N 0 0 380.488 4.655 50 0 GJAARN COc1ccc(-c2nn(Cc3ccccc3Cl)c(=O)c3nc(C)sc32)cc1 ZINC000008955458 208702183 /nfs/dbraw/zinc/70/21/83/208702183.db2.gz NQBIOGYDMPTDBS-UHFFFAOYSA-N 0 0 397.887 4.539 50 0 GJAARN Cc1ccc(OC(=O)/C=C/c2ccc(Br)o2)c(Br)c1 ZINC000007813856 208690626 /nfs/dbraw/zinc/69/06/26/208690626.db2.gz JWTNIDHNILAIHB-QPJJXVBHSA-N 0 0 386.039 4.732 50 0 GJAARN Cc1ccc(NC(=O)NCc2ccccc2)cc1NC(=O)NCc1ccccc1 ZINC000000640617 208706618 /nfs/dbraw/zinc/70/66/18/208706618.db2.gz XJWHXWLCSJCVPT-UHFFFAOYSA-N 0 0 388.471 4.638 50 0 GJAARN COc1ccc(C)c2s/c(=N\C(=O)c3cc(Cl)sc3Cl)n(C)c21 ZINC000100823913 208708733 /nfs/dbraw/zinc/70/87/33/208708733.db2.gz BAVQUCXDXRWFNM-SDXDJHTJSA-N 0 0 387.313 4.666 50 0 GJAARN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000170591291 208747185 /nfs/dbraw/zinc/74/71/85/208747185.db2.gz UPGXASUNTWFQNN-INIZCTEOSA-N 0 0 396.318 4.856 50 0 GJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 ZINC000012914232 208778677 /nfs/dbraw/zinc/77/86/77/208778677.db2.gz HIMILPBZOVPHDK-UHFFFAOYSA-N 0 0 398.862 4.803 50 0 GJAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000014074914 208788634 /nfs/dbraw/zinc/78/86/34/208788634.db2.gz LPZWIEZZDOUSEX-VSDWSMLSSA-N 0 0 389.495 4.936 50 0 GJAARN O=S(=O)(Oc1cccc2cccnc21)c1cc(C(F)(F)F)ccc1Cl ZINC000016089146 208796350 /nfs/dbraw/zinc/79/63/50/208796350.db2.gz JCMTYIQVLXLMAL-UHFFFAOYSA-N 0 0 387.766 4.675 50 0 GJAARN O=C(CCSc1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000211084148 208815471 /nfs/dbraw/zinc/81/54/71/208815471.db2.gz NTPPRSUTUGXUOB-UHFFFAOYSA-N 0 0 387.551 4.839 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)cc1 ZINC000022181514 208834598 /nfs/dbraw/zinc/83/45/98/208834598.db2.gz HEAVEAOAPYSRLA-KRWDZBQOSA-N 0 0 399.498 4.874 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)ccc1Cl ZINC000001106636 220475653 /nfs/dbraw/zinc/47/56/53/220475653.db2.gz QUYZDKCHPYQGTJ-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN O=C(CS[C@@H](Cc1ccccc1)C(=O)c1ccccc1)Nc1ccccc1 ZINC000027825271 208923264 /nfs/dbraw/zinc/92/32/64/208923264.db2.gz KDFNDCGSVZMVFB-NRFANRHFSA-N 0 0 375.493 4.853 50 0 GJAARN CN(C)c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000002402893 220530389 /nfs/dbraw/zinc/53/03/89/220530389.db2.gz IRSZWYQCIKFUAJ-UHFFFAOYSA-N 0 0 384.435 4.778 50 0 GJAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000002333820 220523932 /nfs/dbraw/zinc/52/39/32/220523932.db2.gz JTDZXPJRLNUISW-NRFANRHFSA-N 0 0 382.419 4.555 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000028234183 208940050 /nfs/dbraw/zinc/94/00/50/208940050.db2.gz HTOQDODAHSMVDQ-UHFFFAOYSA-N 0 0 385.803 4.536 50 0 GJAARN Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(C)cc1 ZINC000029548709 208965200 /nfs/dbraw/zinc/96/52/00/208965200.db2.gz WMRVIZOTQQPGSP-UHFFFAOYSA-N 0 0 375.350 4.640 50 0 GJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 ZINC000002742018 220560926 /nfs/dbraw/zinc/56/09/26/220560926.db2.gz UNVHYEOZHDOXPU-CQSZACIVSA-N 0 0 376.566 4.907 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000002763736 220561647 /nfs/dbraw/zinc/56/16/47/220561647.db2.gz UQBOAAXOHIIONF-UHFFFAOYSA-N 0 0 386.455 4.764 50 0 GJAARN CC(=O)Nc1cccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 ZINC000032360365 208987723 /nfs/dbraw/zinc/98/77/23/208987723.db2.gz RANBGIBAZDFZFI-JOCHJYFZSA-N 0 0 390.508 4.795 50 0 GJAARN Cc1ccccc1Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000002721418 220555745 /nfs/dbraw/zinc/55/57/45/220555745.db2.gz HGJUFIGDVSMAEB-UHFFFAOYSA-N 0 0 387.458 4.505 50 0 GJAARN Cc1ccc(CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)cc1 ZINC000002719967 220556033 /nfs/dbraw/zinc/55/60/33/220556033.db2.gz MXRUAYADGDZRIC-UHFFFAOYSA-N 0 0 384.501 4.621 50 0 GJAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000002723226 220556281 /nfs/dbraw/zinc/55/62/81/220556281.db2.gz NEPIDVORSOZOMF-UHFFFAOYSA-N 0 0 381.501 4.564 50 0 GJAARN O=C(Nc1nnc(COc2ccccc2)o1)C1c2ccccc2Oc2ccccc21 ZINC000061973982 208999663 /nfs/dbraw/zinc/99/96/63/208999663.db2.gz DZOAVLOXBOIQLB-UHFFFAOYSA-N 0 0 399.406 4.525 50 0 GJAARN Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)s1 ZINC000059250088 209000417 /nfs/dbraw/zinc/00/04/17/209000417.db2.gz KAWPHMHGGHUFCL-UHFFFAOYSA-N 0 0 395.315 4.742 50 0 GJAARN Cc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1nsc2ccccc21 ZINC000064972650 209002069 /nfs/dbraw/zinc/00/20/69/209002069.db2.gz AIFFMPUWDRMGFH-UHFFFAOYSA-N 0 0 393.512 4.873 50 0 GJAARN COc1ccc2c(C)cc3nn(CN4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c2c1 ZINC000229996125 209003414 /nfs/dbraw/zinc/00/34/14/209003414.db2.gz VEAGFMGVFNJHKI-QFBILLFUSA-N 0 0 396.560 4.948 50 0 GJAARN O=C(NC1CCCCCC1)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000002794248 220566315 /nfs/dbraw/zinc/56/63/15/220566315.db2.gz YTRXQYQQUVRWEF-UHFFFAOYSA-N 0 0 382.291 4.679 50 0 GJAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000002997578 220594510 /nfs/dbraw/zinc/59/45/10/220594510.db2.gz HGWILMOWIXVCNC-UHFFFAOYSA-N 0 0 386.860 4.916 50 0 GJAARN CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1 ZINC000003016417 220596864 /nfs/dbraw/zinc/59/68/64/220596864.db2.gz FLEKPUOVOVVHEH-JCMHNJIXSA-N 0 0 383.403 4.623 50 0 GJAARN Cc1c(C)c(C)c(CN2c3ccc(Br)cc3C(=O)C2=O)c(C)c1C ZINC000003028046 220598397 /nfs/dbraw/zinc/59/83/97/220598397.db2.gz YMBQUFYQFANTGW-UHFFFAOYSA-N 0 0 386.289 4.721 50 0 GJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)C1 ZINC000003063935 220601024 /nfs/dbraw/zinc/60/10/24/220601024.db2.gz IOFSQCHVFCAWRN-YAFZODKBSA-N 0 0 392.524 4.890 50 0 GJAARN Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2ccccc2C(F)(F)F)n1 ZINC000003215989 220610433 /nfs/dbraw/zinc/61/04/33/220610433.db2.gz PKLCKHIGKGAWAC-CMDGGOBGSA-N 0 0 377.391 4.913 50 0 GJAARN Cc1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1 ZINC000003244207 220614413 /nfs/dbraw/zinc/61/44/13/220614413.db2.gz JGQQPFXXJFKJTE-UHFFFAOYSA-N 0 0 388.562 4.689 50 0 GJAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cn1 ZINC000003347984 220632619 /nfs/dbraw/zinc/63/26/19/220632619.db2.gz RHKAPAOSIYMBPX-UHFFFAOYSA-N 0 0 382.194 4.533 50 0 GJAARN O=C(Cc1cccc2ccccc21)OCC(=O)c1cccc(Br)c1 ZINC000003367939 220634946 /nfs/dbraw/zinc/63/49/46/220634946.db2.gz LTIPWIYEERYFRW-UHFFFAOYSA-N 0 0 383.241 4.571 50 0 GJAARN CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003282057 220621010 /nfs/dbraw/zinc/62/10/10/220621010.db2.gz DIFCRKFVSISTMF-LBPRGKRZSA-N 0 0 396.270 4.965 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)s2)c1C ZINC000003284365 220621218 /nfs/dbraw/zinc/62/12/18/220621218.db2.gz ISJNNDOLQRRBBG-OAHLLOKOSA-N 0 0 398.557 4.868 50 0 GJAARN C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc21 ZINC000003310740 220624556 /nfs/dbraw/zinc/62/45/56/220624556.db2.gz WWJMMWMSZGIPDH-LJQANCHMSA-N 0 0 399.490 4.807 50 0 GJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccccc1Cl ZINC000004031471 220671422 /nfs/dbraw/zinc/67/14/22/220671422.db2.gz VVHUHMLFWCCURM-UHFFFAOYSA-N 0 0 392.842 4.508 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1nccn1-c1cc(C)ccc1C ZINC000004248635 220696934 /nfs/dbraw/zinc/69/69/34/220696934.db2.gz MYFHQNGKUYKNDC-UHFFFAOYSA-N 0 0 381.501 4.619 50 0 GJAARN COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccs3)sc2c1 ZINC000004273166 220698822 /nfs/dbraw/zinc/69/88/22/220698822.db2.gz ICCJGDUBCYYTTD-UHFFFAOYSA-N 0 0 381.482 4.608 50 0 GJAARN Cc1cc(N2CC(=O)N(c3ccc(C(C)C)c(C)c3)CC2=O)ccc1C(C)C ZINC000004105326 220681471 /nfs/dbraw/zinc/68/14/71/220681471.db2.gz XYQWFRIXNOBUQD-UHFFFAOYSA-N 0 0 378.516 4.930 50 0 GJAARN COc1cccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)c1 ZINC000004116948 220682281 /nfs/dbraw/zinc/68/22/81/220682281.db2.gz MBHJKSFIHCVTAQ-UHFFFAOYSA-N 0 0 396.424 4.520 50 0 GJAARN C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000004174485 220690011 /nfs/dbraw/zinc/69/00/11/220690011.db2.gz MBBVIJNQTFQFAG-LLVKDONJSA-N 0 0 398.538 4.934 50 0 GJAARN CC1(C)Cc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2C(=O)C1 ZINC000004174176 220690159 /nfs/dbraw/zinc/69/01/59/220690159.db2.gz HUGXAPPPRFYEJU-UHFFFAOYSA-N 0 0 375.302 4.919 50 0 GJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000004386048 220714018 /nfs/dbraw/zinc/71/40/18/220714018.db2.gz FJNGSZZWNRFJMQ-GOSISDBHSA-N 0 0 391.515 4.538 50 0 GJAARN Cc1ccccc1-n1c(SCC(=O)OC(C)(C)C)nnc1-c1ccccc1F ZINC000004356596 220709794 /nfs/dbraw/zinc/70/97/94/220709794.db2.gz JAWYLEAEMQUBGQ-UHFFFAOYSA-N 0 0 399.491 4.816 50 0 GJAARN CC(C)(C)c1ccc(OCc2nn3c(nnc3-c3ccc(F)cc3)s2)cc1 ZINC000004664921 220744378 /nfs/dbraw/zinc/74/43/78/220744378.db2.gz UXKYOPUCPBPSCJ-UHFFFAOYSA-N 0 0 382.464 4.868 50 0 GJAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000004687476 220749034 /nfs/dbraw/zinc/74/90/34/220749034.db2.gz WSVDJVYGEBGOLU-LDADJPATSA-N 0 0 386.904 4.955 50 0 GJAARN CCC(CC)c1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000004696206 220749541 /nfs/dbraw/zinc/74/95/41/220749541.db2.gz FGGJOUKMVNIMSI-UHFFFAOYSA-N 0 0 394.500 4.946 50 0 GJAARN COc1cc(C)c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1C(C)C ZINC000004700718 220750068 /nfs/dbraw/zinc/75/00/68/220750068.db2.gz HTTWXQJZGAJDJG-UDWIEESQSA-N 0 0 378.472 4.528 50 0 GJAARN CC(=O)Nc1ccc(-n2c(/C=C\c3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000004659584 220742747 /nfs/dbraw/zinc/74/27/47/220742747.db2.gz BCUKZRCWXHIVHY-NVNXTCNLSA-N 0 0 399.425 4.654 50 0 GJAARN CN(C(=O)C(=O)c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 ZINC000004709128 220753322 /nfs/dbraw/zinc/75/33/22/220753322.db2.gz CFUNDFQDTFJXJR-UHFFFAOYSA-N 0 0 386.426 4.674 50 0 GJAARN O=c1cc(CSc2ccc(Cl)c(C(F)(F)F)c2)nc2sccn21 ZINC000004801653 220766195 /nfs/dbraw/zinc/76/61/95/220766195.db2.gz NIFZUXSEWSFHDD-UHFFFAOYSA-N 0 0 376.812 4.721 50 0 GJAARN COc1ccc(C)cc1NC(=O)CSCc1ccc(Br)cc1 ZINC000004828615 220770975 /nfs/dbraw/zinc/77/09/75/220770975.db2.gz FWLDBLZNUACXMG-UHFFFAOYSA-N 0 0 380.307 4.638 50 0 GJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)[C@@H]1C ZINC000004826967 220771056 /nfs/dbraw/zinc/77/10/56/220771056.db2.gz QGZLQDWUZWFMAP-HMRHVSHDSA-N 0 0 396.556 4.600 50 0 GJAARN C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000299802258 209093652 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Cc1ccc2cc(CN(C(=O)c3cccc(F)c3)C3CC3)c(N(C)C)nc2c1 ZINC000012005333 221142530 /nfs/dbraw/zinc/14/25/30/221142530.db2.gz BAXDHUAHWPKHOJ-UHFFFAOYSA-N 0 0 377.463 4.553 50 0 GJAARN Cc1c2ccc(C)c(C)c2oc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000012306876 221179038 /nfs/dbraw/zinc/17/90/38/221179038.db2.gz MEBWEAOZZJNLDC-IBGZPJMESA-N 0 0 378.472 4.574 50 0 GJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3C)c3ccccn32)cc1 ZINC000012342010 221183781 /nfs/dbraw/zinc/18/37/81/221183781.db2.gz YQQMFTFJTVSFJO-UHFFFAOYSA-N 0 0 397.478 4.930 50 0 GJAARN Cc1c[nH]c(CN(C)Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)n1 ZINC000012208548 221167457 /nfs/dbraw/zinc/16/74/57/221167457.db2.gz PYYVHSRRTGZFRS-UHFFFAOYSA-N 0 0 377.536 4.798 50 0 GJAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000012232630 221171383 /nfs/dbraw/zinc/17/13/83/221171383.db2.gz JCGOADOYOCFARE-UHFFFAOYSA-N 0 0 390.386 4.785 50 0 GJAARN O=C(Cc1ccc(F)cc1)N(Cc1cccc(OC[C@@H]2CCCCO2)c1)C1CC1 ZINC000012282076 221174087 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C[C@@H](NC(=O)Cc1csc(SCC(=O)c2ccccc2)n1)c1ccccc1 ZINC000012444140 221197327 /nfs/dbraw/zinc/19/73/27/221197327.db2.gz VYLCUOSUDUFAGD-OAHLLOKOSA-N 0 0 396.537 4.538 50 0 GJAARN CCOc1ccc([C@@H](C)NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000012515412 221199998 /nfs/dbraw/zinc/19/99/98/221199998.db2.gz BWTSSRVGYMCFPG-CYBMUJFWSA-N 0 0 385.464 4.564 50 0 GJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000012521815 221201105 /nfs/dbraw/zinc/20/11/05/221201105.db2.gz RTHKQRPACYVNPV-OAHLLOKOSA-N 0 0 385.389 4.711 50 0 GJAARN CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012536317 221203810 /nfs/dbraw/zinc/20/38/10/221203810.db2.gz VUOKOCCYMMDVJZ-UHFFFAOYSA-N 0 0 394.496 4.863 50 0 GJAARN C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(F)cc1 ZINC000012550819 221204741 /nfs/dbraw/zinc/20/47/41/221204741.db2.gz AUWLBXHPQLRCKO-AWEZNQCLSA-N 0 0 379.460 4.622 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012548916 221204796 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Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cs1 ZINC000012614180 221214606 /nfs/dbraw/zinc/21/46/06/221214606.db2.gz SVOXHDYSCDEBSX-UHFFFAOYSA-N 0 0 387.302 4.811 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)n2)cc1 ZINC000012617448 221215325 /nfs/dbraw/zinc/21/53/25/221215325.db2.gz HEGUNFUYWWETLA-GOSISDBHSA-N 0 0 384.888 4.968 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012622518 221215368 /nfs/dbraw/zinc/21/53/68/221215368.db2.gz WRRSZQOVPAWEMZ-CQSZACIVSA-N 0 0 385.489 4.620 50 0 GJAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012617345 221216139 /nfs/dbraw/zinc/21/61/39/221216139.db2.gz VFNBTGWCOBECDM-WGGBDISSSA-N 0 0 389.495 4.793 50 0 GJAARN O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(C(F)(F)F)cc1 ZINC000012624247 221216211 /nfs/dbraw/zinc/21/62/11/221216211.db2.gz QPJBPRMYTFRTGG-UHFFFAOYSA-N 0 0 382.432 4.749 50 0 GJAARN CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C ZINC000012653844 221217324 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O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000012729816 221222620 /nfs/dbraw/zinc/22/26/20/221222620.db2.gz QEGOGFGBQIFWEZ-LJQANCHMSA-N 0 0 392.858 4.997 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)Nc3nnc(-c4ccc(C(C)C)cc4)s3)c12 ZINC000012801214 221233529 /nfs/dbraw/zinc/23/35/29/221233529.db2.gz NKSLTLIBHZZNRK-UHFFFAOYSA-N 0 0 393.472 4.734 50 0 GJAARN Cc1sc2nc(SCC(=O)C(C)(C)C)n(C3CCCC3)c(=O)c2c1C ZINC000012801680 221233590 /nfs/dbraw/zinc/23/35/90/221233590.db2.gz MGEYJROSXLBQER-UHFFFAOYSA-N 0 0 378.563 4.897 50 0 GJAARN COc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1OC(F)F ZINC000012800207 221233838 /nfs/dbraw/zinc/23/38/38/221233838.db2.gz OJJDOJOMNHPRRC-RUDMXATFSA-N 0 0 398.203 4.711 50 0 GJAARN Cc1ccc(-c2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)co2)c(C)c1 ZINC000012797256 221233878 /nfs/dbraw/zinc/23/38/78/221233878.db2.gz DAVKVDWLJSROJJ-UHFFFAOYSA-N 0 0 382.769 4.841 50 0 GJAARN Cc1cc(C)cc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012755828 221225808 /nfs/dbraw/zinc/22/58/08/221225808.db2.gz DVSVMMUSLUPJKC-QGZVFWFLSA-N 0 0 380.513 4.698 50 0 GJAARN COc1cc(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc(OC)c1 ZINC000012756115 221227426 /nfs/dbraw/zinc/22/74/26/221227426.db2.gz WHMRNWSMOVTHIV-XMMPIXPASA-N 0 0 389.495 4.737 50 0 GJAARN CC(C)c1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 ZINC000012764816 221228215 /nfs/dbraw/zinc/22/82/15/221228215.db2.gz OHHPLHUJOHOWCA-JOCHJYFZSA-N 0 0 396.531 4.769 50 0 GJAARN O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1c(Cl)cccc1Cl ZINC000012769613 221229408 /nfs/dbraw/zinc/22/94/08/221229408.db2.gz QANMWQWTSPNNDJ-CYBMUJFWSA-N 0 0 392.304 4.648 50 0 GJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccccc1Br ZINC000012767731 221229624 /nfs/dbraw/zinc/22/96/24/221229624.db2.gz MPANHYYOTPUHPX-UHFFFAOYSA-N 0 0 392.293 4.773 50 0 GJAARN COc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012785445 221231026 /nfs/dbraw/zinc/23/10/26/221231026.db2.gz PXWOEPFQTABCKO-AOMKIAJQSA-N 0 0 398.503 4.614 50 0 GJAARN COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1Cl ZINC000012787431 221231921 /nfs/dbraw/zinc/23/19/21/221231921.db2.gz KWBSUBKDSNPQLP-UHFFFAOYSA-N 0 0 379.243 4.603 50 0 GJAARN COc1c(Br)cc(Cl)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000012906094 221243832 /nfs/dbraw/zinc/24/38/32/221243832.db2.gz ITMSWQOGFHLIHN-UHFFFAOYSA-N 0 0 393.668 4.774 50 0 GJAARN CCOc1ccccc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000012904084 221244317 /nfs/dbraw/zinc/24/43/17/221244317.db2.gz MPQZFHMEIJZURY-UHFFFAOYSA-N 0 0 391.402 4.988 50 0 GJAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1C ZINC000012818504 221235684 /nfs/dbraw/zinc/23/56/84/221235684.db2.gz CYKWSVNVISFDHO-JTNHKYCSSA-N 0 0 377.579 4.602 50 0 GJAARN CCCc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000012811846 221236203 /nfs/dbraw/zinc/23/62/03/221236203.db2.gz UTMFFESYFFOARK-JOCHJYFZSA-N 0 0 389.528 4.556 50 0 GJAARN C[S@](=O)c1ccccc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000012857073 221238393 /nfs/dbraw/zinc/23/83/93/221238393.db2.gz HGIRZWHIUNJUDN-RUZDIDTESA-N 0 0 391.901 4.558 50 0 GJAARN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nn12 ZINC000012857773 221238839 /nfs/dbraw/zinc/23/88/39/221238839.db2.gz OYATXAHDRFGYIN-UHFFFAOYSA-N 0 0 385.452 4.567 50 0 GJAARN COc1ccc(-c2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1OC ZINC000012869825 221240378 /nfs/dbraw/zinc/24/03/78/221240378.db2.gz JYNOESDZMMGIFL-UHFFFAOYSA-N 0 0 388.514 4.500 50 0 GJAARN CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)n1CC)c1cccc2ccccc21 ZINC000012873895 221240580 /nfs/dbraw/zinc/24/05/80/221240580.db2.gz ALAAZCNHXXAYBG-HNNXBMFYSA-N 0 0 394.544 4.862 50 0 GJAARN O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000012920684 221246320 /nfs/dbraw/zinc/24/63/20/221246320.db2.gz XOJXLYPYSMZHIR-DEOSSOPVSA-N 0 0 398.506 4.961 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012930234 221247920 /nfs/dbraw/zinc/24/79/20/221247920.db2.gz FCNOAUULPLGMLH-UHFFFAOYSA-N 0 0 380.875 4.824 50 0 GJAARN CN(Cc1ccccc1Cl)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012941970 221249328 /nfs/dbraw/zinc/24/93/28/221249328.db2.gz VVJURLLEAVDOSS-NRFANRHFSA-N 0 0 381.903 4.879 50 0 GJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)nn2)n1 ZINC000013009628 221256355 /nfs/dbraw/zinc/25/63/55/221256355.db2.gz IGACQAJLWXGBRH-UHFFFAOYSA-N 0 0 398.470 4.583 50 0 GJAARN CCC(C)(C)C1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000012988493 221253262 /nfs/dbraw/zinc/25/32/62/221253262.db2.gz FXZSGTMMPRYTEN-UHFFFAOYSA-N 0 0 375.538 4.842 50 0 GJAARN CCOc1ccccc1NC(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000012989919 221253406 /nfs/dbraw/zinc/25/34/06/221253406.db2.gz GSYDAPKLYFEQJX-NRFANRHFSA-N 0 0 382.504 4.650 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000012996787 221253653 /nfs/dbraw/zinc/25/36/53/221253653.db2.gz LSUBKAXHQHVEIC-HBYKMFCXSA-N 0 0 386.289 4.835 50 0 GJAARN Cc1ccsc1/C=C(\Cl)c1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000013004592 221255912 /nfs/dbraw/zinc/25/59/12/221255912.db2.gz BHYJMEPXSXWKBP-ZROIWOOFSA-N 0 0 389.933 4.883 50 0 GJAARN CN(CCOc1ccccc1Cl)C(=O)c1cccnc1Oc1ccccc1 ZINC000012911249 221245111 /nfs/dbraw/zinc/24/51/11/221245111.db2.gz UVKWRJMIMGJVLL-UHFFFAOYSA-N 0 0 382.847 4.678 50 0 GJAARN COCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1ccccc1F ZINC000012911760 221245139 /nfs/dbraw/zinc/24/51/39/221245139.db2.gz ISPXWKRJZIBXOA-UHFFFAOYSA-N 0 0 392.883 4.518 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 ZINC000012919693 221245855 /nfs/dbraw/zinc/24/58/55/221245855.db2.gz KAQWOHQENADCPS-UHFFFAOYSA-N 0 0 378.428 4.887 50 0 GJAARN Cc1sc(NC(=O)c2ccncc2)c(C(N)=O)c1-c1ccc(C(C)C)cc1 ZINC000013327788 221265351 /nfs/dbraw/zinc/26/53/51/221265351.db2.gz CRTRZECBPKFWJA-UHFFFAOYSA-N 0 0 379.485 4.593 50 0 GJAARN CS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000013005538 221256473 /nfs/dbraw/zinc/25/64/73/221256473.db2.gz ZSLCSUOITMISJV-FQEVSTJZSA-N 0 0 397.521 4.562 50 0 GJAARN Cc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)co2)c(C)c1 ZINC000013007618 221256809 /nfs/dbraw/zinc/25/68/09/221256809.db2.gz DGVAAYAPEKMLMO-KRWDZBQOSA-N 0 0 398.528 4.555 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1ccccc1 ZINC000013365535 221266956 /nfs/dbraw/zinc/26/69/56/221266956.db2.gz LBKAVIIAGJSACU-LJQANCHMSA-N 0 0 389.842 4.909 50 0 GJAARN CCN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000013012925 221257994 /nfs/dbraw/zinc/25/79/94/221257994.db2.gz LBJZLRIVWVRGAY-UHFFFAOYSA-N 0 0 382.460 4.802 50 0 GJAARN Cc1ccc(C(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)s1 ZINC000013015597 221258338 /nfs/dbraw/zinc/25/83/38/221258338.db2.gz OZGGMCPBDMWRBM-GOOCMWNKSA-N 0 0 396.599 4.785 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000013017312 221258437 /nfs/dbraw/zinc/25/84/37/221258437.db2.gz ANBGOIHEMLIOQV-NSHDSACASA-N 0 0 383.300 4.546 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1 ZINC000013041257 221258624 /nfs/dbraw/zinc/25/86/24/221258624.db2.gz HBHINKLHMQMSLK-HNNXBMFYSA-N 0 0 388.895 4.586 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000013042199 221259154 /nfs/dbraw/zinc/25/91/54/221259154.db2.gz HIOJBTLFPCRGNQ-GFCCVEGCSA-N 0 0 379.287 4.655 50 0 GJAARN C[C@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1F ZINC000013122498 221262149 /nfs/dbraw/zinc/26/21/49/221262149.db2.gz SCHCVAYLURUHGR-DBTPVHCXSA-N 0 0 389.430 4.707 50 0 GJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3c(c2)OCO3)cc1C ZINC000013135229 221262235 /nfs/dbraw/zinc/26/22/35/221262235.db2.gz GSOKQDXXQXYBGR-UHFFFAOYSA-N 0 0 378.453 4.831 50 0 GJAARN CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)on1 ZINC000013595399 221277176 /nfs/dbraw/zinc/27/71/76/221277176.db2.gz DESBTUBMEUDODU-IBGZPJMESA-N 0 0 376.456 4.686 50 0 GJAARN O=C(N/C(=C\c1ccccc1Cl)C(=O)N1CCCCCC1)c1ccccc1 ZINC000013371591 221267918 /nfs/dbraw/zinc/26/79/18/221267918.db2.gz XJLZRVHRFTVQMV-SILNSSARSA-N 0 0 382.891 4.514 50 0 GJAARN Cc1cc(C)c(-c2ccc(SCC(=O)N3CCc4ccccc43)nn2)cc1C ZINC000013375449 221268138 /nfs/dbraw/zinc/26/81/38/221268138.db2.gz BRUVYAQZILRISS-UHFFFAOYSA-N 0 0 389.524 4.750 50 0 GJAARN CCOc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1O ZINC000013517270 221270056 /nfs/dbraw/zinc/27/00/56/221270056.db2.gz MBHKVVZEHQUDQV-DHDCSXOGSA-N 0 0 375.833 4.685 50 0 GJAARN COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1 ZINC000013564478 221272922 /nfs/dbraw/zinc/27/29/22/221272922.db2.gz YIANPTYGWQXWCU-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN C[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000013784997 221289471 /nfs/dbraw/zinc/28/94/71/221289471.db2.gz XZLIRISHXUWHPU-PIOKWQJESA-N 0 0 381.479 4.975 50 0 GJAARN Clc1ccc(-c2nn3c(nnc3-c3ccc4c(c3)OCO4)s2)c(Cl)c1 ZINC000013689694 221281106 /nfs/dbraw/zinc/28/11/06/221281106.db2.gz XGUUSFIYAICOKF-UHFFFAOYSA-N 0 0 391.239 4.555 50 0 GJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 ZINC000013695258 221282380 /nfs/dbraw/zinc/28/23/80/221282380.db2.gz HBCQFDYYWUFJLC-UHFFFAOYSA-N 0 0 380.488 4.661 50 0 GJAARN O=C(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)NCc1cccs1 ZINC000013716682 221284169 /nfs/dbraw/zinc/28/41/69/221284169.db2.gz GECWKZYYJDRUGH-UHFFFAOYSA-N 0 0 384.888 4.513 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000013720379 221284318 /nfs/dbraw/zinc/28/43/18/221284318.db2.gz MGQCXADQWXZUNX-UHFFFAOYSA-N 0 0 385.876 4.983 50 0 GJAARN Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000013844123 221292219 /nfs/dbraw/zinc/29/22/19/221292219.db2.gz QXNDKTOYVDYXAD-ULBZPVTCSA-N 0 0 379.459 4.700 50 0 GJAARN CCc1cccc(C)c1NC(=O)CN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000014085788 221298249 /nfs/dbraw/zinc/29/82/49/221298249.db2.gz LDAOXKVMFNTBQB-VWLOTQADSA-N 0 0 388.511 4.884 50 0 GJAARN CN(CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1)Cc1ccc(F)cc1 ZINC000014129454 221300116 /nfs/dbraw/zinc/30/01/16/221300116.db2.gz ZBVHDPNFIDAKJS-UHFFFAOYSA-N 0 0 395.459 4.766 50 0 GJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCCCC2)cc1 ZINC000014121958 221300125 /nfs/dbraw/zinc/30/01/25/221300125.db2.gz MXKKBTNHHZLWEL-UHFFFAOYSA-N 0 0 389.499 4.623 50 0 GJAARN CC(=O)Nc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000014128968 221300232 /nfs/dbraw/zinc/30/02/32/221300232.db2.gz YANKUIVBQMUHHT-DTQAZKPQSA-N 0 0 381.435 4.515 50 0 GJAARN Cc1sc(NC(=O)c2ccc(C)nc2)nc1-c1ccc(OC(F)F)cc1 ZINC000014199408 221303231 /nfs/dbraw/zinc/30/32/31/221303231.db2.gz ASAOUHRNEALODL-UHFFFAOYSA-N 0 0 375.400 4.676 50 0 GJAARN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000014256729 221307681 /nfs/dbraw/zinc/30/76/81/221307681.db2.gz ZYJUHLKYNIOCGU-OAHLLOKOSA-N 0 0 375.490 4.566 50 0 GJAARN Cc1csc(CNC(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)n1 ZINC000014965228 221321550 /nfs/dbraw/zinc/32/15/50/221321550.db2.gz DJQDJYUIZZXMHZ-GOSISDBHSA-N 0 0 386.904 4.649 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccccc2)cc1 ZINC000014609833 221312995 /nfs/dbraw/zinc/31/29/95/221312995.db2.gz CMZKKYIVQWNRBU-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN O=C(c1ccc(F)cc1)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000014611180 221313098 /nfs/dbraw/zinc/31/30/98/221313098.db2.gz JMGWMOPGZPIDGF-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN COc1ccc(-c2cc(CSc3nncn3CCc3cccs3)on2)cc1 ZINC000014708157 221314243 /nfs/dbraw/zinc/31/42/43/221314243.db2.gz XMUGJMCCFYUFPU-UHFFFAOYSA-N 0 0 398.513 4.538 50 0 GJAARN Cc1ccc(CSc2nnc(NC(=O)CSc3ccccc3)s2)cc1 ZINC000014695768 221314357 /nfs/dbraw/zinc/31/43/57/221314357.db2.gz XBIXGIDHSVXJDV-UHFFFAOYSA-N 0 0 387.555 4.870 50 0 GJAARN Cc1cc(C)n(-c2ccc(SCc3csc(-c4ccc(F)cc4)n3)nn2)n1 ZINC000014802579 221317969 /nfs/dbraw/zinc/31/79/69/221317969.db2.gz SZYSVFJPRNRFJA-UHFFFAOYSA-N 0 0 397.504 4.834 50 0 GJAARN CC[C@@H](C)CC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 ZINC000014954708 221320647 /nfs/dbraw/zinc/32/06/47/221320647.db2.gz CMIYGWSJAQRXHW-WBMJQRKESA-N 0 0 389.492 4.613 50 0 GJAARN O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000015077797 221332708 /nfs/dbraw/zinc/33/27/08/221332708.db2.gz FLNJDXLZRGRLMD-INIZCTEOSA-N 0 0 385.920 4.682 50 0 GJAARN Nc1cc(-c2ccc(C(=O)c3ccccc3)c(N)c2)ccc1C(=O)c1ccccc1 ZINC000015081946 221333140 /nfs/dbraw/zinc/33/31/40/221333140.db2.gz FMSMPVMYWWHTAR-UHFFFAOYSA-N 0 0 392.458 4.980 50 0 GJAARN COc1cc(NC(=O)CNc2ccccc2Oc2ccccc2)cc(OC)c1 ZINC000015124496 221334265 /nfs/dbraw/zinc/33/42/65/221334265.db2.gz PRXNWTFJZAGNQQ-UHFFFAOYSA-N 0 0 378.428 4.547 50 0 GJAARN CCOc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1OCC ZINC000015017913 221327012 /nfs/dbraw/zinc/32/70/12/221327012.db2.gz IUWSFDKGGAQTDK-OAHLLOKOSA-N 0 0 390.277 4.525 50 0 GJAARN COc1ccc(CCC(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 ZINC000015637532 221337738 /nfs/dbraw/zinc/33/77/38/221337738.db2.gz BLQMAQVELKUQCO-UHFFFAOYSA-N 0 0 382.485 4.707 50 0 GJAARN CCN(C(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)c1cccc(Cl)c1 ZINC000015727526 221340985 /nfs/dbraw/zinc/34/09/85/221340985.db2.gz BZUXSNTVJRRAOH-UHFFFAOYSA-N 0 0 398.894 4.842 50 0 GJAARN CCOCCCNC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000015724771 221341838 /nfs/dbraw/zinc/34/18/38/221341838.db2.gz NGGCBZHNHLMZTP-HSZRJFAPSA-N 0 0 391.515 4.560 50 0 GJAARN O=C(NCc1cccn1Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000015769669 221343417 /nfs/dbraw/zinc/34/34/17/221343417.db2.gz OKDGGSJVQPHNQM-UHFFFAOYSA-N 0 0 397.950 4.958 50 0 GJAARN Cc1ccc(C)c(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c1 ZINC000015734783 221343634 /nfs/dbraw/zinc/34/36/34/221343634.db2.gz XKTKUYMYMGWHBM-UHFFFAOYSA-N 0 0 392.528 4.677 50 0 GJAARN Cc1c(C[NH2+]CCc2cccc(C)c2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000015776925 221344196 /nfs/dbraw/zinc/34/41/96/221344196.db2.gz RSCYHWHOBBVVID-UHFFFAOYSA-N 0 0 394.490 4.631 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000015821496 221345532 /nfs/dbraw/zinc/34/55/32/221345532.db2.gz USYXDXQMABPZOJ-UHFFFAOYSA-N 0 0 396.878 4.554 50 0 GJAARN COc1ccccc1Cn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000015825594 221346566 /nfs/dbraw/zinc/34/65/66/221346566.db2.gz PHBBYDMLLZHUGK-UHFFFAOYSA-N 0 0 395.528 4.596 50 0 GJAARN COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000015825722 221347162 /nfs/dbraw/zinc/34/71/62/221347162.db2.gz DJHGSONUNBTTAR-UHFFFAOYSA-N 0 0 399.830 4.859 50 0 GJAARN CCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c2cccnc12 ZINC000015841011 221347464 /nfs/dbraw/zinc/34/74/64/221347464.db2.gz PIRRJNCDWOJZDP-GOSISDBHSA-N 0 0 382.435 4.959 50 0 GJAARN Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2Br)c2cccnc2)c1 ZINC000015839842 221347883 /nfs/dbraw/zinc/34/78/83/221347883.db2.gz BAPGPJVVSMXFMH-FQEVSTJZSA-N 0 0 395.300 4.980 50 0 GJAARN COc1ccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)cc1 ZINC000015840453 221348261 /nfs/dbraw/zinc/34/82/61/221348261.db2.gz HRKSTAAOWMAAEP-UHFFFAOYSA-N 0 0 398.915 4.676 50 0 GJAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000015859681 221348505 /nfs/dbraw/zinc/34/85/05/221348505.db2.gz BMZWABXGULLPOH-GOSISDBHSA-N 0 0 399.878 4.545 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)cc1 ZINC000015863593 221350263 /nfs/dbraw/zinc/35/02/63/221350263.db2.gz UJOPCPNFAVTMGC-UHFFFAOYSA-N 0 0 385.467 4.917 50 0 GJAARN COc1cccc(CC(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)c1 ZINC000015863852 221350514 /nfs/dbraw/zinc/35/05/14/221350514.db2.gz 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136203913 /nfs/dbraw/zinc/20/39/13/136203913.db2.gz NGWVLCHXTSEHRM-UHFFFAOYSA-N 0 0 387.867 4.682 50 0 GJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(C)C)c2)n(-c2cccc(C)c2)n1 ZINC000023327884 221591675 /nfs/dbraw/zinc/59/16/75/221591675.db2.gz QYZHYACQMLGYKL-UHFFFAOYSA-N 0 0 391.471 4.619 50 0 GJAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(C)(C)C)no2)c1C ZINC000023329774 221592416 /nfs/dbraw/zinc/59/24/16/221592416.db2.gz XOEYXJQWVCTZEI-UHFFFAOYSA-N 0 0 384.505 4.505 50 0 GJAARN Cc1noc(-c2cccnc2)c1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000023438215 221597828 /nfs/dbraw/zinc/59/78/28/221597828.db2.gz NQASKIUTNRVKJZ-UHFFFAOYSA-N 0 0 397.478 4.997 50 0 GJAARN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024033188 221607609 /nfs/dbraw/zinc/60/76/09/221607609.db2.gz UTLSOOVQVYVIRJ-UHFFFAOYSA-N 0 0 375.453 4.663 50 0 GJAARN Cc1ccc(OCc2nc(CC(=O)N(C)[C@H](C)c3ccccc3)cs2)cc1 ZINC000025615610 221631305 /nfs/dbraw/zinc/63/13/05/221631305.db2.gz WRPOFHPHXDALCK-QGZVFWFLSA-N 0 0 380.513 4.793 50 0 GJAARN 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222085102 /nfs/dbraw/zinc/08/51/02/222085102.db2.gz LSIKAAMOSSHBTC-UHFFFAOYSA-N 0 0 391.258 4.750 50 0 GJAARN COc1cc(NC(=O)N2CCCCC[C@@H]2c2cccs2)cc(OC)c1OC ZINC000064984845 222092191 /nfs/dbraw/zinc/09/21/91/222092191.db2.gz RYZSXASXIXQALB-OAHLLOKOSA-N 0 0 390.505 4.923 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3cc(C)ccc3F)cs2)c2cccnc21 ZINC000065241005 222114336 /nfs/dbraw/zinc/11/43/36/222114336.db2.gz NFMSDQJVFNPYKW-UHFFFAOYSA-N 0 0 394.475 4.808 50 0 GJAARN O=C(Cn1cnc(-c2nc(-c3ccccc3)cs2)c1)Nc1cc(F)ccc1F ZINC000065250488 222116011 /nfs/dbraw/zinc/11/60/11/222116011.db2.gz ZUHGHZKKEJKPQJ-UHFFFAOYSA-N 0 0 396.422 4.591 50 0 GJAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)NCc1ccc(C)cc1 ZINC000065297700 222122254 /nfs/dbraw/zinc/12/22/54/222122254.db2.gz YTYWFZBOCWRKNN-UHFFFAOYSA-N 0 0 395.528 4.510 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000065320555 222122854 /nfs/dbraw/zinc/12/28/54/222122854.db2.gz BXYLELIDTZXOLW-INIZCTEOSA-N 0 0 398.850 4.768 50 0 GJAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)c3cc(Cl)ccc3F)n2)c1 ZINC000065320418 222122951 /nfs/dbraw/zinc/12/29/51/222122951.db2.gz GJLRZNCJSVSDDN-QGZVFWFLSA-N 0 0 385.826 4.815 50 0 GJAARN Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000065320538 222123641 /nfs/dbraw/zinc/12/36/41/222123641.db2.gz YWVGFJFZXVBLHZ-GOSISDBHSA-N 0 0 381.863 4.605 50 0 GJAARN CC(=O)c1cccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 ZINC000065330893 222124925 /nfs/dbraw/zinc/12/49/25/222124925.db2.gz KKJGQUWCFQFGMW-UHFFFAOYSA-N 0 0 376.437 4.817 50 0 GJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@H]3c2ccc(OCC(C)C)cc2)cc1 ZINC000065331601 222125070 /nfs/dbraw/zinc/12/50/70/222125070.db2.gz LDOAOQLWEJRKHK-HXUWFJFHSA-N 0 0 375.472 4.690 50 0 GJAARN Cc1ccc(-c2csc3ncnc(N[C@@H](C(N)=O)c4ccccc4)c23)cc1C ZINC000065477334 222131387 /nfs/dbraw/zinc/13/13/87/222131387.db2.gz HFHKASDELCETPN-LJQANCHMSA-N 0 0 388.496 4.614 50 0 GJAARN C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H](c2ccccc2)O1 ZINC000065591443 222134596 /nfs/dbraw/zinc/13/45/96/222134596.db2.gz AZGHNCPCNIGPJW-DYVFJYSZSA-N 0 0 386.904 4.999 50 0 GJAARN Brc1ccc(-c2csc(Cc3nc(-c4ccncc4)no3)n2)cc1 ZINC000067246081 222142037 /nfs/dbraw/zinc/14/20/37/222142037.db2.gz RNYMXMRZJRXMCJ-UHFFFAOYSA-N 0 0 399.273 4.608 50 0 GJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cccc(C)c2)c1 ZINC000067259223 222142242 /nfs/dbraw/zinc/14/22/42/222142242.db2.gz AHWIETFCTHXFQT-UHFFFAOYSA-N 0 0 388.492 4.995 50 0 GJAARN Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc(-c2ccc(F)cc2)n1 ZINC000067257153 222142299 /nfs/dbraw/zinc/14/22/99/222142299.db2.gz YFLZCUXZRYZFDP-UHFFFAOYSA-N 0 0 387.867 4.975 50 0 GJAARN O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1F)N1CCCC1 ZINC000067288241 222143420 /nfs/dbraw/zinc/14/34/20/222143420.db2.gz MAYWLEIEASBBCM-UHFFFAOYSA-N 0 0 385.389 4.500 50 0 GJAARN Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1C ZINC000067293211 222144199 /nfs/dbraw/zinc/14/41/99/222144199.db2.gz SLPOSXQODLSXJU-BZZOAKBMSA-N 0 0 385.423 4.635 50 0 GJAARN Cc1cc(-c2c(-c3ccccc3)ncn2CCC(=O)Nc2cc(C)ccc2C)n[nH]1 ZINC000067446997 222145966 /nfs/dbraw/zinc/14/59/66/222145966.db2.gz HPUIYBNGLZGMCU-UHFFFAOYSA-N 0 0 399.498 4.894 50 0 GJAARN Cc1cc(NCc2cccnc2N(C)CCc2ccccn2)nc2ccccc12 ZINC000067514192 222148399 /nfs/dbraw/zinc/14/83/99/222148399.db2.gz FXKHVMXFLFZVBT-UHFFFAOYSA-N 0 0 383.499 4.624 50 0 GJAARN C[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000067646839 222151356 /nfs/dbraw/zinc/15/13/56/222151356.db2.gz ATLYSKPQAWLYGH-AWEZNQCLSA-N 0 0 397.475 4.903 50 0 GJAARN C[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000067646838 222152776 /nfs/dbraw/zinc/15/27/76/222152776.db2.gz ATLYSKPQAWLYGH-CQSZACIVSA-N 0 0 397.475 4.903 50 0 GJAARN Cc1cccnc1CN1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067896253 222168080 /nfs/dbraw/zinc/16/80/80/222168080.db2.gz ORPFEXFBZYHJBG-UHFFFAOYSA-N 0 0 394.522 4.852 50 0 GJAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000070755444 222176969 /nfs/dbraw/zinc/17/69/69/222176969.db2.gz 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ZINC000072329344 222228457 /nfs/dbraw/zinc/22/84/57/222228457.db2.gz FTSSKMKOBBZMKV-HNNXBMFYSA-N 0 0 397.906 4.880 50 0 GJAARN CC(C)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000072330844 222229273 /nfs/dbraw/zinc/22/92/73/222229273.db2.gz HMQRHDBGBUMMFK-UHFFFAOYSA-N 0 0 396.270 4.678 50 0 GJAARN O=C1N=C(Nc2ccc(F)c(F)c2)C(=Cc2cc3ccccc3[nH]c2=O)S1 ZINC000072400909 222253270 /nfs/dbraw/zinc/25/32/70/222253270.db2.gz FNYKHFPHMNTXSQ-PXNMLYILSA-N 0 0 383.379 4.525 50 0 GJAARN CCCn1cnnc1CN(C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072418444 222257971 /nfs/dbraw/zinc/25/79/71/222257971.db2.gz WAPNANJWDJKVQR-UHFFFAOYSA-N 0 0 391.544 4.905 50 0 GJAARN Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCc2ccccc2Cl)o1 ZINC000085653633 222324598 /nfs/dbraw/zinc/32/45/98/222324598.db2.gz WYZYJWZVZRUCJV-UHFFFAOYSA-N 0 0 381.819 4.683 50 0 GJAARN O=C(CC[C@H]1CCCN(Cc2cscn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095507052 222338572 /nfs/dbraw/zinc/33/85/72/222338572.db2.gz VXNZYKWEYRVBLR-CQSZACIVSA-N 0 0 397.466 4.793 50 0 GJAARN COc1ccc(Br)c(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000077099787 222272179 /nfs/dbraw/zinc/27/21/79/222272179.db2.gz YFEKBGKHZKVNAF-UHFFFAOYSA-N 0 0 380.307 4.539 50 0 GJAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000077200174 222276647 /nfs/dbraw/zinc/27/66/47/222276647.db2.gz JQVSXLLBIZFWRS-MSOLQXFVSA-N 0 0 378.428 4.723 50 0 GJAARN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077377786 222279922 /nfs/dbraw/zinc/27/99/22/222279922.db2.gz NFHQNFSYWWQMQK-FQEVSTJZSA-N 0 0 384.483 4.502 50 0 GJAARN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1occc1COc1ccccc1 ZINC000078714502 222296617 /nfs/dbraw/zinc/29/66/17/222296617.db2.gz KNMGVMCJGFFYBN-HNNXBMFYSA-N 0 0 392.480 4.829 50 0 GJAARN CC[C@]1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)C1 ZINC000078947308 222298800 /nfs/dbraw/zinc/29/88/00/222298800.db2.gz JAXSPNSSADIXMA-NBGIEHNGSA-N 0 0 392.543 4.731 50 0 GJAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079024793 222302132 /nfs/dbraw/zinc/30/21/32/222302132.db2.gz HETDQGAEFBKTHA-CQSZACIVSA-N 0 0 391.858 4.963 50 0 GJAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cccc4c3ccn4C)o2)n1 ZINC000079475589 222304914 /nfs/dbraw/zinc/30/49/14/222304914.db2.gz TTYPRWVOSBMGMU-UHFFFAOYSA-N 0 0 392.484 4.723 50 0 GJAARN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(Cl)cc1Cl ZINC000079501250 222307181 /nfs/dbraw/zinc/30/71/81/222307181.db2.gz MTJWNJSMSYMINH-INIZCTEOSA-N 0 0 376.243 4.974 50 0 GJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 ZINC000079489753 222307273 /nfs/dbraw/zinc/30/72/73/222307273.db2.gz BVEBBZSAMMMHRR-SFHVURJKSA-N 0 0 397.544 4.824 50 0 GJAARN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1OC1CCC1 ZINC000084500212 222317242 /nfs/dbraw/zinc/31/72/42/222317242.db2.gz WKQOKNYYUFELRV-UHFFFAOYSA-N 0 0 384.863 4.650 50 0 GJAARN O=C(COc1ccc(Cl)c2cccnc12)N[C@H]1CCSc2ccccc21 ZINC000084579033 222318439 /nfs/dbraw/zinc/31/84/39/222318439.db2.gz XBMHUDHTIOJDTM-INIZCTEOSA-N 0 0 384.888 4.620 50 0 GJAARN CCn1c(-c2cc(NC(=O)c3cccc(Cl)c3)n[nH]2)cc2ccc(OC)cc21 ZINC000096400319 222420883 /nfs/dbraw/zinc/42/08/83/222420883.db2.gz DTPZVEKBBFJIRP-UHFFFAOYSA-N 0 0 394.862 4.966 50 0 GJAARN O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000095948266 222362822 /nfs/dbraw/zinc/36/28/22/222362822.db2.gz UDTAIDVBUMUYHG-UHFFFAOYSA-N 0 0 377.394 4.875 50 0 GJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)Nc1nc2c(s1)CCC2 ZINC000095948737 222363049 /nfs/dbraw/zinc/36/30/49/222363049.db2.gz WSGLXSGBODOSPW-UHFFFAOYSA-N 0 0 383.420 4.821 50 0 GJAARN Cc1c(NC(=O)c2ccc3c(c2)COCO3)n(-c2ccccc2)nc1C(C)(C)C ZINC000095962891 222364914 /nfs/dbraw/zinc/36/49/14/222364914.db2.gz NIPPOUCSLVUMHC-UHFFFAOYSA-N 0 0 391.471 4.597 50 0 GJAARN CCCCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(C)no2)cc1 ZINC000096097088 222379608 /nfs/dbraw/zinc/37/96/08/222379608.db2.gz QGPBFTPHCJUJIT-UHFFFAOYSA-N 0 0 380.448 4.792 50 0 GJAARN O=C(NCC[C@H](O)c1cc2ccccc2o1)C1c2ccccc2Oc2ccccc21 ZINC000096097260 222379836 /nfs/dbraw/zinc/37/98/36/222379836.db2.gz 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ZINC000096222660 222398819 /nfs/dbraw/zinc/39/88/19/222398819.db2.gz VWYCWLMUCXHZIN-GOSISDBHSA-N 0 0 386.403 4.704 50 0 biogenic GJAARN CSCC[C@H](NC(=O)c1nc(C)sc1C(C)C)c1nc2ccccc2[nH]1 ZINC000096223417 222399764 /nfs/dbraw/zinc/39/97/64/222399764.db2.gz ZEHISNAOMQLGET-HNNXBMFYSA-N 0 0 388.562 4.675 50 0 GJAARN C[C@H](NC(=O)/C(=C\c1ccccc1)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000096873016 222426600 /nfs/dbraw/zinc/42/66/00/222426600.db2.gz JZKTXDDWAANMSB-UZXDDYOISA-N 0 0 394.478 4.685 50 0 GJAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OC(C)C ZINC000097987524 222451525 /nfs/dbraw/zinc/45/15/25/222451525.db2.gz BTKUCMWMHGOVDX-MDWZMJQESA-N 0 0 377.849 4.542 50 0 GJAARN COc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(OC)c1 ZINC000098073345 222453783 /nfs/dbraw/zinc/45/37/83/222453783.db2.gz MUHUZUQBXHNDTP-MRXNPFEDSA-N 0 0 389.451 4.677 50 0 GJAARN Cn1c2c(ccc3ccccc23)s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000100846750 222463970 /nfs/dbraw/zinc/46/39/70/222463970.db2.gz ULKLEZPHGANOEP-XDOYNYLZSA-N 0 0 375.478 4.744 50 0 GJAARN COc1ccccc1CN(Cc1cccs1)C(=O)/C=C\c1csc(C)n1 ZINC000096936039 534071073 /nfs/dbraw/zinc/07/10/73/534071073.db2.gz DMXADUBJJBISKD-KTKRTIGZSA-N 0 0 384.526 4.764 50 0 GJAARN O[C@@H](c1ccccc1)C1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000025454447 534407425 /nfs/dbraw/zinc/40/74/25/534407425.db2.gz CWPUPDDJMNSDMX-QHCPKHFHSA-N 0 0 396.494 4.642 50 0 GJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000238899638 519798234 /nfs/dbraw/zinc/79/82/34/519798234.db2.gz GWWNVPCADUDGNK-MRXNPFEDSA-N 0 0 390.270 5.171 50 0 GJAARN COC(=O)c1ccc(COc2ccccc2/C=C2\c3ccccc3N(C)C2=O)cc1 ZINC000012809993 522046214 /nfs/dbraw/zinc/04/62/14/522046214.db2.gz DQBDAZZDAXYPRP-RCCKNPSSSA-N 0 0 399.446 4.569 50 0 GJAARN COC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000002523611 523251353 /nfs/dbraw/zinc/25/13/53/523251353.db2.gz QERMKFBRNOSQEO-UHFFFAOYSA-N 0 0 394.283 4.506 50 0 GJAARN Cc1cc(NC(=O)c2ccc(Cl)s2)n(-c2nc3c(cccc3F)s2)n1 ZINC000021685378 525247148 /nfs/dbraw/zinc/24/71/48/525247148.db2.gz KIECXGJRCFCDJU-UHFFFAOYSA-N 0 0 392.868 4.897 50 0 GJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1C[C@@H](C(C)(C)C(C)C)C[C@H](C)C1=O ZINC000248189237 525614586 /nfs/dbraw/zinc/61/45/86/525614586.db2.gz JQRKTVYMLPNBDE-AQXBJYLJSA-N 0 0 388.504 4.829 50 0 biogenic GJAARN Cc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3cccs3)n2)cc1C ZINC000002652037 525780429 /nfs/dbraw/zinc/78/04/29/525780429.db2.gz FKZXSFGYURITQE-BQYQJAHWSA-N 0 0 398.509 4.684 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1Nc1ccccc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239231197 527118663 /nfs/dbraw/zinc/11/86/63/527118663.db2.gz VCDZWOTXDLWVDZ-NEWJYFPISA-N 0 0 394.474 4.752 50 0 GJAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000025175778 527349373 /nfs/dbraw/zinc/34/93/73/527349373.db2.gz WOISDFOXXRDIRN-UHFFFAOYSA-N 0 0 387.464 4.805 50 0 GJAARN O=C(/C=C/c1cccs1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000007596609 527640422 /nfs/dbraw/zinc/64/04/22/527640422.db2.gz DGPWQIYNBNKUHP-MDZDMXLPSA-N 0 0 385.876 4.656 50 0 GJAARN CCCN(CCC1=CCCCC1)C(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 ZINC000426530352 528063823 /nfs/dbraw/zinc/06/38/23/528063823.db2.gz CKUQAANSHCVJQC-UHFFFAOYSA-N 0 0 380.488 4.788 50 0 GJAARN CC[C@H](C)NC(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1 ZINC000003048924 529178973 /nfs/dbraw/zinc/17/89/73/529178973.db2.gz FEZFYRZZZBWQDT-LBPRGKRZSA-N 0 0 376.909 4.978 50 0 GJAARN CC[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1cccc(-c2ccc(C)nn2)c1 ZINC000426477686 529255823 /nfs/dbraw/zinc/25/58/23/529255823.db2.gz GHCYSPHANWCXDC-QFIPXVFZSA-N 0 0 375.472 4.684 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 ZINC000022502739 535531915 /nfs/dbraw/zinc/53/19/15/535531915.db2.gz QSKZWGAVYOOJAS-UHFFFAOYSA-N 0 0 381.476 4.665 50 0 GJAARN COc1ccc(Br)cc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000001131349 536633852 /nfs/dbraw/zinc/63/38/52/536633852.db2.gz YTRZSCKQJRQHEX-UHFFFAOYSA-N 0 0 389.293 4.700 50 0 GJAARN C[N@@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc([S@@](C)=O)cc21 ZINC000003954487 560123394 /nfs/dbraw/zinc/12/33/94/560123394.db2.gz SLVMESMUVMCQIY-DXPJPUQTSA-N 0 0 386.586 4.901 50 0 biogenic,world GJAARN COc1cc(CN(C(=O)Nc2ccc(C)c(F)c2)C2CC2)ccc1OC(F)F ZINC000047702790 570214061 /nfs/dbraw/zinc/21/40/61/570214061.db2.gz SIKKHKJWSALOEL-UHFFFAOYSA-N 0 0 394.393 4.941 50 0 GJAARN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000047986367 570216644 /nfs/dbraw/zinc/21/66/44/570216644.db2.gz VGKACDJPKSIUSN-CQSZACIVSA-N 0 0 377.444 4.516 50 0 GJAARN CCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(=O)CC)c1ccccc1-2 ZINC000000684585 570217988 /nfs/dbraw/zinc/21/79/88/570217988.db2.gz CWUDFZGTIZTYCL-GOSISDBHSA-N 0 0 398.513 4.546 50 0 GJAARN CCSc1nnc2c(n1)O[C@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 ZINC000000684701 570217989 /nfs/dbraw/zinc/21/79/89/570217989.db2.gz VFVFLTGGLVCBEU-GOSISDBHSA-N 0 0 398.513 4.546 50 0 GJAARN CCc1c(C)sc(NC(=O)COc2ccc(C)cc2)c1C(=O)OC(C)C ZINC000000685915 570217993 /nfs/dbraw/zinc/21/79/93/570217993.db2.gz ULWGWYQSZTZDMY-UHFFFAOYSA-N 0 0 375.490 4.510 50 0 GJAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=S)NC(C)C ZINC000019797151 570219872 /nfs/dbraw/zinc/21/98/72/570219872.db2.gz IJQODWOPTHBGOO-UHFFFAOYSA-N 0 0 382.938 4.940 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000019808851 570220707 /nfs/dbraw/zinc/22/07/07/570220707.db2.gz ZQTDRCIPOJTDMA-UHFFFAOYSA-N 0 0 388.467 4.563 50 0 GJAARN S=c1oc(-c2cccc(Br)c2)nn1CNc1ccc(Cl)cn1 ZINC000019800778 570220830 /nfs/dbraw/zinc/22/08/30/570220830.db2.gz WHWVGVSEDKURJU-UHFFFAOYSA-N 0 0 397.685 4.753 50 0 GJAARN C[C@@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc2S1 ZINC000048236047 570222153 /nfs/dbraw/zinc/22/21/53/570222153.db2.gz CAEDWEWJCPEJBN-GFCCVEGCSA-N 0 0 382.407 4.554 50 0 GJAARN Cc1ccc(Sc2ccc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2)cc1C ZINC000048288172 570227853 /nfs/dbraw/zinc/22/78/53/570227853.db2.gz NDTMPTKFDSYKKL-RTWAWAEBSA-N 0 0 377.513 4.930 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000000890298 570228626 /nfs/dbraw/zinc/22/86/26/570228626.db2.gz AHHBBUAXTYZPMU-UHFFFAOYSA-N 0 0 395.802 4.668 50 0 GJAARN N=c1n(CCCOc2ccccc2)c2ccccc2n1Cc1ccccc1F ZINC000019901279 570228955 /nfs/dbraw/zinc/22/89/55/570228955.db2.gz YKDXINNUSOMVQA-UHFFFAOYSA-N 0 0 375.447 4.579 50 0 GJAARN Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2ccc(F)cc2n1 ZINC000048291106 570229382 /nfs/dbraw/zinc/22/93/82/570229382.db2.gz YJOFZVCJDAQKIQ-QHCPKHFHSA-N 0 0 385.442 4.939 50 0 GJAARN CN(Cn1nc(-c2ccccc2)oc1=S)[C@@H](c1ccccc1)c1ccccn1 ZINC000048275241 570229557 /nfs/dbraw/zinc/22/95/57/570229557.db2.gz FJCYZZJDOWEQRR-FQEVSTJZSA-N 0 0 388.496 4.946 50 0 GJAARN COc1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1OC ZINC000012816447 570231143 /nfs/dbraw/zinc/23/11/43/570231143.db2.gz AYVVBTIDHURKRR-UHFFFAOYSA-N 0 0 396.306 4.506 50 0 GJAARN COc1ccc(Cl)cc1-c1nc(SCCOc2ccc(C)cc2)n[nH]1 ZINC000006064782 570232691 /nfs/dbraw/zinc/23/26/91/570232691.db2.gz CYWCOHMJQJGTNV-UHFFFAOYSA-N 0 0 375.881 4.613 50 0 GJAARN O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H](c1cccs1)C1CCCC1 ZINC000048300412 570233945 /nfs/dbraw/zinc/23/39/45/570233945.db2.gz MDXBAEXSEUVYBI-SFHVURJKSA-N 0 0 385.489 4.758 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc(OC(C)C)n1 ZINC000011613264 570234888 /nfs/dbraw/zinc/23/48/88/570234888.db2.gz NXNYEXQGWNEPQF-UHFFFAOYSA-N 0 0 380.423 4.707 50 0 GJAARN Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000023309269 570235483 /nfs/dbraw/zinc/23/54/83/570235483.db2.gz MYJUMFCIULZQJL-XMMPIXPASA-N 0 0 388.486 4.682 50 0 GJAARN CC(C)(C)[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccs1 ZINC000048312934 570236976 /nfs/dbraw/zinc/23/69/76/570236976.db2.gz BEHIIRUEJAXYJB-GOSISDBHSA-N 0 0 385.533 4.893 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023311831 570237215 /nfs/dbraw/zinc/23/72/15/570237215.db2.gz MOHAINHZTPFILW-HSZRJFAPSA-N 0 0 392.449 4.512 50 0 GJAARN Cc1c(Cl)ccc2c(C(=O)NCc3cccnc3)cc(-c3ccccn3)nc12 ZINC000006275636 570240982 /nfs/dbraw/zinc/24/09/82/570240982.db2.gz DASRVQKYNYUDAL-UHFFFAOYSA-N 0 0 388.858 4.584 50 0 GJAARN COc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1OC(F)F ZINC000048354130 570241481 /nfs/dbraw/zinc/24/14/81/570241481.db2.gz PHHZAMGXWHFTJZ-UHFFFAOYSA-N 0 0 376.384 4.672 50 0 GJAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)cc1 ZINC000006099375 570243213 /nfs/dbraw/zinc/24/32/13/570243213.db2.gz XPCDPCAFEXSSMM-JTQLQIEISA-N 0 0 380.300 4.962 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccccc1Cl ZINC000048362298 570244381 /nfs/dbraw/zinc/24/43/81/570244381.db2.gz HMRUKVFCDLSSEO-UHFFFAOYSA-N 0 0 397.906 4.570 50 0 GJAARN C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000048355812 570244573 /nfs/dbraw/zinc/24/45/73/570244573.db2.gz MLFQNGWRCJDBST-LBPRGKRZSA-N 0 0 399.390 4.713 50 0 GJAARN COc1ccc([C@H](NC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000001131456 570245964 /nfs/dbraw/zinc/24/59/64/570245964.db2.gz ROEZAEYGTHWKSI-HXUWFJFHSA-N 0 0 396.284 4.977 50 0 GJAARN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000001146108 570248386 /nfs/dbraw/zinc/24/83/86/570248386.db2.gz VVUPZZSROOGNEE-UHFFFAOYSA-N 0 0 378.859 4.565 50 0 GJAARN COc1ccc(-n2c(SCC(C)C)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000001157061 570250596 /nfs/dbraw/zinc/25/05/96/570250596.db2.gz IASWCROHASCEBF-UHFFFAOYSA-N 0 0 386.542 4.693 50 0 GJAARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000001172894 570253299 /nfs/dbraw/zinc/25/32/99/570253299.db2.gz BSYKEWWUPYXMKJ-LBPRGKRZSA-N 0 0 376.909 4.615 50 0 GJAARN O=C(NCCNc1ccc(C(F)(F)F)cn1)Nc1cccc(Cl)c1Cl ZINC000020406006 570254352 /nfs/dbraw/zinc/25/43/52/570254352.db2.gz INAPKXXUKURZGO-UHFFFAOYSA-N 0 0 393.196 4.641 50 0 GJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000001176500 570254387 /nfs/dbraw/zinc/25/43/87/570254387.db2.gz VRJBCAQWQDJOPK-UHFFFAOYSA-N 0 0 378.375 4.887 50 0 GJAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(F)cc1)CO3 ZINC000020412335 570254748 /nfs/dbraw/zinc/25/47/48/570254748.db2.gz LYOQYBFGUSFXSM-UHFFFAOYSA-N 0 0 381.447 4.588 50 0 biogenic GJAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1F ZINC000001179068 570254777 /nfs/dbraw/zinc/25/47/77/570254777.db2.gz CWCUOALVKYLZJH-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)C=Cc1ccccc1 ZINC000001179893 570254928 /nfs/dbraw/zinc/25/49/28/570254928.db2.gz HYMMDBPGLKUSKQ-CMDGGOBGSA-N 0 0 389.318 4.592 50 0 GJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000001181647 570255434 /nfs/dbraw/zinc/25/54/34/570255434.db2.gz SWLZOVULHAZSNZ-UHFFFAOYSA-N 0 0 394.327 4.720 50 0 GJAARN CC(C)[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000012824877 570260569 /nfs/dbraw/zinc/26/05/69/570260569.db2.gz GXISLARVTHMCEX-GOSISDBHSA-N 0 0 392.286 4.762 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)cc1OC ZINC000006260097 570262909 /nfs/dbraw/zinc/26/29/09/570262909.db2.gz NTESZACYZGRNNT-XBXARRHUSA-N 0 0 396.668 4.772 50 0 GJAARN Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000098072730 570263226 /nfs/dbraw/zinc/26/32/26/570263226.db2.gz BBSFURDFMDRZPF-UHFFFAOYSA-N 0 0 394.212 4.577 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC000098212179 570264229 /nfs/dbraw/zinc/26/42/29/570264229.db2.gz SGJBRODRSISASF-INIZCTEOSA-N 0 0 389.789 4.646 50 0 GJAARN CC(C)(C)c1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000012863789 570268794 /nfs/dbraw/zinc/26/87/94/570268794.db2.gz VLTKRNYCUNKHIE-UHFFFAOYSA-N 0 0 392.455 4.847 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000001808083 570268982 /nfs/dbraw/zinc/26/89/82/570268982.db2.gz NGBGOESYTSRMOZ-UHFFFAOYSA-N 0 0 396.270 4.968 50 0 GJAARN Clc1ccc2c(c1)nccc2-n1cc(-c2cnn(Cc3ccccc3)c2)cn1 ZINC000049597262 570270874 /nfs/dbraw/zinc/27/08/74/570270874.db2.gz FVVPQSQHHPRPNU-UHFFFAOYSA-N 0 0 385.858 4.986 50 0 GJAARN CCCc1c(O)c(C(C)=O)ccc1OC[C@H](O)CSc1ccc(Cl)cc1 ZINC000045068810 570272085 /nfs/dbraw/zinc/27/20/85/570272085.db2.gz TWANLMMFEGTWCN-HNNXBMFYSA-N 0 0 394.920 4.733 50 0 GJAARN Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCCC2)CCC3)cc1 ZINC000005745490 570273554 /nfs/dbraw/zinc/27/35/54/570273554.db2.gz UGGXFAORUVJTJD-UHFFFAOYSA-N 0 0 382.529 4.814 50 0 GJAARN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000002079634 570273738 /nfs/dbraw/zinc/27/37/38/570273738.db2.gz UJMGRULHUQGNAY-DEOSSOPVSA-N 0 0 387.435 4.573 50 0 GJAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)c1 ZINC000526056078 570274861 /nfs/dbraw/zinc/27/48/61/570274861.db2.gz OXPNNZBVXGGSPG-FQEVSTJZSA-N 0 0 396.487 4.700 50 0 GJAARN COc1ccccc1[C@@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000100739027 570275674 /nfs/dbraw/zinc/27/56/74/570275674.db2.gz HXFKBUGOAVGLTR-YKSBVNFPSA-N 0 0 386.451 4.946 50 0 GJAARN CCCCOc1ccc(NS(=O)(=O)c2ccc(OC)c3ccccc32)cc1 ZINC000002170955 570276883 /nfs/dbraw/zinc/27/68/83/570276883.db2.gz UGCXXLRCJIWBNO-UHFFFAOYSA-N 0 0 385.485 4.828 50 0 GJAARN OC(=C[C@@]1(C(F)(F)F)NN=C(c2ccccc2)S1)c1ccc(Cl)cc1 ZINC000002188997 570278105 /nfs/dbraw/zinc/27/81/05/570278105.db2.gz HVQHWVXRAYSSOA-MRXNPFEDSA-N 0 0 384.810 4.870 50 0 GJAARN COc1ccc(Br)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000008072455 570278995 /nfs/dbraw/zinc/27/89/95/570278995.db2.gz GJIISRJQAPWXQZ-UHFFFAOYSA-N 0 0 386.648 4.522 50 0 GJAARN Cc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nnn1-c1cccc(Cl)c1 ZINC000020745720 570279400 /nfs/dbraw/zinc/27/94/00/570279400.db2.gz AANKYMFDIWARER-UHFFFAOYSA-N 0 0 386.242 4.523 50 0 GJAARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccc(N(C)C)cc1 ZINC000002224508 570279434 /nfs/dbraw/zinc/27/94/34/570279434.db2.gz DIRMVUNPEOPZFD-QFIPXVFZSA-N 0 0 390.512 4.742 50 0 aggregator GJAARN Fc1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000002219879 570279461 /nfs/dbraw/zinc/27/94/61/570279461.db2.gz MYOMQEWBGAPSLU-UHFFFAOYSA-N 0 0 384.307 4.652 50 0 GJAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 ZINC000002236153 570280085 /nfs/dbraw/zinc/28/00/85/570280085.db2.gz ZUCDRAJHBLVOAS-UHFFFAOYSA-N 0 0 386.480 4.613 50 0 GJAARN Cc1ccccc1C(=O)Nc1cccc(-c2nnc3c4ccccc4c(C)nn23)c1 ZINC000002233187 570280116 /nfs/dbraw/zinc/28/01/16/570280116.db2.gz BRTNEFYLIVAFCI-UHFFFAOYSA-N 0 0 393.450 4.814 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CCOc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2)cc1 ZINC000002453816 570287416 /nfs/dbraw/zinc/28/74/16/570287416.db2.gz DUXXNSRKGNBTJM-FQEVSTJZSA-N 0 0 395.528 4.994 50 0 GJAARN CC(=O)Nc1ccc2c(CSc3cc(C)c4ccccc4n3)cc(=O)oc2c1 ZINC000006831471 570287687 /nfs/dbraw/zinc/28/76/87/570287687.db2.gz WYOKYYXSBCIUEG-UHFFFAOYSA-N 0 0 390.464 4.900 50 0 GJAARN Cc1ccc(Cn2ccc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)n2)cc1 ZINC000002465918 570287984 /nfs/dbraw/zinc/28/79/84/570287984.db2.gz HJTZJSLFWAIIOK-QGZVFWFLSA-N 0 0 392.503 4.631 50 0 GJAARN COc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000001421628 570288038 /nfs/dbraw/zinc/28/80/38/570288038.db2.gz AABLBZTUIDAHIZ-BRBKRDGESA-N 0 0 386.451 4.643 50 0 GJAARN O=C(NCc1cccs1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000002503081 570288934 /nfs/dbraw/zinc/28/89/34/570288934.db2.gz NPMAUCPTVZSZQC-UHFFFAOYSA-N 0 0 388.448 4.622 50 0 GJAARN CCN1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000021295299 570289967 /nfs/dbraw/zinc/28/99/67/570289967.db2.gz 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CCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 ZINC000002911580 570318215 /nfs/dbraw/zinc/31/82/15/570318215.db2.gz DUOOEYXUFNFIHQ-LJQANCHMSA-N 0 0 394.500 4.943 50 0 GJAARN COc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc21 ZINC000002951566 570319795 /nfs/dbraw/zinc/31/97/95/570319795.db2.gz LPANIMMOCWTHGS-UHFFFAOYSA-N 0 0 387.391 4.846 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)CCCSc1ccccc1)c1ccc(Cl)cc1 ZINC000016262020 570321701 /nfs/dbraw/zinc/32/17/01/570321701.db2.gz KDANPRFTTFRKER-FQEVSTJZSA-N 0 0 399.947 4.852 50 0 GJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1O ZINC000011679903 570322397 /nfs/dbraw/zinc/32/23/97/570322397.db2.gz OODRVQHSPKWQBR-UHFFFAOYSA-N 0 0 377.227 4.925 50 0 GJAARN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc(F)c1 ZINC000002982206 570322497 /nfs/dbraw/zinc/32/24/97/570322497.db2.gz BLUQBVFTUFYEGI-UHFFFAOYSA-N 0 0 391.899 4.596 50 0 GJAARN COc1cccc(OC)c1OCCCOc1ccc(C)cc1Br ZINC000002984809 570322971 /nfs/dbraw/zinc/32/29/71/570322971.db2.gz CSQXNWARKHYSBO-UHFFFAOYSA-N 0 0 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Cc1nn(CCNC(=O)CCc2cccc(Cl)c2)c(C)c1-c1cccs1 ZINC000575612411 570336915 /nfs/dbraw/zinc/33/69/15/570336915.db2.gz DOKHSCMCDNVFTD-UHFFFAOYSA-N 0 0 387.936 4.631 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccc(F)cc2F)cc1 ZINC000034795962 570337713 /nfs/dbraw/zinc/33/77/13/570337713.db2.gz SRBNZDLBCNNGEG-UHFFFAOYSA-N 0 0 385.414 4.814 50 0 GJAARN Cc1noc([C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)n1 ZINC000022967913 570339174 /nfs/dbraw/zinc/33/91/74/570339174.db2.gz CIYHBAMUCDCUSV-NSHDSACASA-N 0 0 399.426 4.757 50 0 GJAARN CCOC(=O)CCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1 ZINC000034907710 570339871 /nfs/dbraw/zinc/33/98/71/570339871.db2.gz NHFMNSORPZVFIB-LJQANCHMSA-N 0 0 392.455 4.502 50 0 GJAARN COc1ccc(CCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 ZINC000023011381 570340435 /nfs/dbraw/zinc/34/04/35/570340435.db2.gz DFIPDPWBHHWPAP-UHFFFAOYSA-N 0 0 389.455 4.911 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)NC(=O)CS2 ZINC000006215422 570342972 /nfs/dbraw/zinc/34/29/72/570342972.db2.gz 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CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000004612036 570387665 /nfs/dbraw/zinc/38/76/65/570387665.db2.gz XBAQWDFQVMWKEY-COXVUDFISA-N 0 0 383.513 4.792 50 0 GJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2F)c1 ZINC000004979312 570388187 /nfs/dbraw/zinc/38/81/87/570388187.db2.gz MEZMUIXNBWJCQZ-UHFFFAOYSA-N 0 0 392.455 4.826 50 0 GJAARN CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(C)=O)cc2c1 ZINC000004980881 570389355 /nfs/dbraw/zinc/38/93/55/570389355.db2.gz SUSPHSHRXGKSFJ-OAQYLSRUSA-N 0 0 393.874 4.985 50 0 GJAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccco3)cc21 ZINC000006327486 570389911 /nfs/dbraw/zinc/38/99/11/570389911.db2.gz BGQYAFNIJRZKAI-UHFFFAOYSA-N 0 0 389.407 4.928 50 0 GJAARN COc1ccc(-n2ncc3c2ncnc3Nc2cccc(C(F)(F)F)c2)cc1 ZINC000004658085 570390017 /nfs/dbraw/zinc/39/00/17/570390017.db2.gz KHYUFEOSTFOQTE-UHFFFAOYSA-N 0 0 385.349 4.587 50 0 GJAARN C/C(=C(/NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000004656254 570390044 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COc1ccc(CCC(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000035539861 570391827 /nfs/dbraw/zinc/39/18/27/570391827.db2.gz RSUJYCSQZAXQNB-UHFFFAOYSA-N 0 0 391.471 4.974 50 0 GJAARN COc1cccc(C2=N/C(=C\c3ccccc3OCc3ccccc3)C(=O)O2)c1 ZINC000004673297 570392089 /nfs/dbraw/zinc/39/20/89/570392089.db2.gz QHFIAPGQHJWVGG-QNGOZBTKSA-N 0 0 385.419 4.619 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)C1CCCC1 ZINC000035522361 570392225 /nfs/dbraw/zinc/39/22/25/570392225.db2.gz ZZSRDIQHVSIGTO-IBGZPJMESA-N 0 0 395.890 4.980 50 0 GJAARN Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000024762745 570392394 /nfs/dbraw/zinc/39/23/94/570392394.db2.gz MNKKXDHNDLGYHS-ZDUSSCGKSA-N 0 0 396.288 4.535 50 0 GJAARN CSc1ncc(C(=O)N[C@H]2CCSc3ccccc32)n1-c1ccc(F)cc1 ZINC000024773248 570392714 /nfs/dbraw/zinc/39/27/14/570392714.db2.gz SWPFJEVGNGULPQ-INIZCTEOSA-N 0 0 399.516 4.700 50 0 GJAARN CCCCc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 ZINC000004682370 570393057 /nfs/dbraw/zinc/39/30/57/570393057.db2.gz XLIRHYOVRRUMFW-UHFFFAOYSA-N 0 0 391.334 4.919 50 0 GJAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000005002929 570393515 /nfs/dbraw/zinc/39/35/15/570393515.db2.gz QZNQTLPLRIJJML-OMXAPOSASA-N 0 0 397.302 4.743 50 0 GJAARN O=C(COc1ccc(F)cc1)Nc1cccc(-c2noc(C3CCCC3)n2)c1 ZINC000035552255 570394862 /nfs/dbraw/zinc/39/48/62/570394862.db2.gz KTYHGHIRPGUOKJ-UHFFFAOYSA-N 0 0 381.407 4.551 50 0 GJAARN Cc1c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cnn1-c1cccc(C)c1 ZINC000024833464 570394857 /nfs/dbraw/zinc/39/48/57/570394857.db2.gz OKCOKDYOCBDXMC-UHFFFAOYSA-N 0 0 391.805 4.996 50 0 GJAARN COc1cc(/C=C/C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(OC)c1 ZINC000032876353 570395595 /nfs/dbraw/zinc/39/55/95/570395595.db2.gz PBMFWRQFCYRCLB-RMKNXTFCSA-N 0 0 389.854 4.701 50 0 GJAARN CC(C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O ZINC000004704801 570395980 /nfs/dbraw/zinc/39/59/80/570395980.db2.gz PMGRYRIPEBUYKR-NTEUORMPSA-N 0 0 385.470 4.752 50 0 GJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)C1(C)C ZINC000004717201 570397548 /nfs/dbraw/zinc/39/75/48/570397548.db2.gz ODVRQBMHIDGPLA-QUCCMNQESA-N 0 0 395.572 4.697 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC(C(=O)Nc4ccccc4Cl)CC3)c2c1C ZINC000032960111 570397663 /nfs/dbraw/zinc/39/76/63/570397663.db2.gz DTRFDTFWBIKSMQ-UHFFFAOYSA-N 0 0 398.894 4.657 50 0 GJAARN CCc1ccc(-n2c(SCc3c(C)noc3C)nc3ccccc3c2=O)cc1 ZINC000006359271 570398038 /nfs/dbraw/zinc/39/80/38/570398038.db2.gz KFAITNQYIOANMS-UHFFFAOYSA-N 0 0 391.496 4.845 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccnc2)cc1 ZINC000004734793 570399147 /nfs/dbraw/zinc/39/91/47/570399147.db2.gz HAEQZYXLQSHTTG-JOCHJYFZSA-N 0 0 395.466 4.667 50 0 GJAARN COc1ccccc1-n1ncc2c1c(SCc1cccnc1)nnc2C(C)C ZINC000035596848 570399576 /nfs/dbraw/zinc/39/95/76/570399576.db2.gz YTYLIGNYAQNDLF-UHFFFAOYSA-N 0 0 391.500 4.635 50 0 GJAARN CC[C@H](NC(=O)c1cc(Br)c(O)c(OC)c1)c1ccc(Cl)cc1 ZINC000024964788 570399850 /nfs/dbraw/zinc/39/98/50/570399850.db2.gz OHMNOEAVSWFTDZ-AWEZNQCLSA-N 0 0 398.684 4.698 50 0 GJAARN CCCNc1nc2ccccc2nc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000033086125 570400075 /nfs/dbraw/zinc/40/00/75/570400075.db2.gz QZASXIRYMIAUTE-UHFFFAOYSA-N 0 0 399.292 4.775 50 0 GJAARN COc1ccc(C)cc1CCNC(=O)c1ccc(SCc2cscn2)cc1 ZINC000024977875 570400827 /nfs/dbraw/zinc/40/08/27/570400827.db2.gz OWFVARBHEFHJIT-UHFFFAOYSA-N 0 0 398.553 4.725 50 0 GJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000004740918 570400888 /nfs/dbraw/zinc/40/08/88/570400888.db2.gz AAYTXOPXLXAKHP-UHFFFAOYSA-N 0 0 386.282 4.504 50 0 GJAARN CC(=O)n1c(S[C@H](C)C(=O)Nc2cccc3ccccc32)nc2ccccc21 ZINC000004741818 570401056 /nfs/dbraw/zinc/40/10/56/570401056.db2.gz SIPWMOLQEWEKGW-CQSZACIVSA-N 0 0 389.480 4.969 50 0 GJAARN O=C(CCCc1nc2cccnc2n1-c1ccccc1)NC1CCCCCCC1 ZINC000033072915 570401071 /nfs/dbraw/zinc/40/10/71/570401071.db2.gz GEFKGEKQSAGEHT-UHFFFAOYSA-N 0 0 390.531 4.972 50 0 GJAARN Cc1ccc([C@@H](O)[P@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000005029735 570401121 /nfs/dbraw/zinc/40/11/21/570401121.db2.gz ZMDMYYXWJFSAGA-HFZDXXHNSA-N 0 0 375.449 4.718 50 0 GJAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000005032137 570401341 /nfs/dbraw/zinc/40/13/41/570401341.db2.gz FPZDGAUUHIAQRM-QFIPXVFZSA-N 0 0 387.435 4.792 50 0 GJAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)N1CCCCC1 ZINC000006365107 570401807 /nfs/dbraw/zinc/40/18/07/570401807.db2.gz ZIFICOXQQGZNLE-UHFFFAOYSA-N 0 0 387.505 4.602 50 0 GJAARN Cc1ccc2nc(-c3ccc(NC(=O)CSc4nccn4C)cc3)sc2c1 ZINC000006370170 570402056 /nfs/dbraw/zinc/40/20/56/570402056.db2.gz FKAHKTQXJLXFTG-UHFFFAOYSA-N 0 0 394.525 4.736 50 0 GJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1ncsc1=S ZINC000024991012 570402293 /nfs/dbraw/zinc/40/22/93/570402293.db2.gz OQWLQDBXGGSSEK-UHFFFAOYSA-N 0 0 393.541 4.616 50 0 GJAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(COc3ccccc3)o2)n1 ZINC000025013461 570403085 /nfs/dbraw/zinc/40/30/85/570403085.db2.gz PUCXGHXUYURLMA-UHFFFAOYSA-N 0 0 387.439 4.913 50 0 GJAARN Fc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc32)cc1 ZINC000005035243 570403635 /nfs/dbraw/zinc/40/36/35/570403635.db2.gz ACFHSNCMHBBDDC-UHFFFAOYSA-N 0 0 387.393 4.835 50 0 GJAARN Cc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 ZINC000004759543 570404173 /nfs/dbraw/zinc/40/41/73/570404173.db2.gz NFUJOIDFYZKSAG-UHFFFAOYSA-N 0 0 398.462 4.850 50 0 GJAARN COC(=O)c1ccccc1Nc1c(-c2ccc(SC)cc2)nc2cnccn21 ZINC000035622703 570404203 /nfs/dbraw/zinc/40/42/03/570404203.db2.gz ALPMAETZMUPOOH-UHFFFAOYSA-N 0 0 390.468 4.648 50 0 GJAARN COC(=O)c1sc2cc(NC(=S)N3CCC[C@H](C)C3)ccc2c1Cl ZINC000006399252 570404595 /nfs/dbraw/zinc/40/45/95/570404595.db2.gz HTJMSYMOTOCMNO-JTQLQIEISA-N 0 0 382.938 4.770 50 0 GJAARN O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc4C3)ncc21 ZINC000004777135 570404872 /nfs/dbraw/zinc/40/48/72/570404872.db2.gz CZNPTYIMVUBLMX-GOSISDBHSA-N 0 0 389.886 4.605 50 0 GJAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004783387 570405401 /nfs/dbraw/zinc/40/54/01/570405401.db2.gz DUJYJLYKBOQGKW-UHFFFAOYSA-N 0 0 386.757 4.578 50 0 GJAARN Cc1cc(NC(=O)CSc2nccnc2Sc2ccccc2)ccc1F ZINC000033288886 570406015 /nfs/dbraw/zinc/40/60/15/570406015.db2.gz HQJGZSKVRLNVJA-UHFFFAOYSA-N 0 0 385.489 4.806 50 0 GJAARN COC(=O)c1ccc([C@@H]2O[C@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)cc1 ZINC000004788994 570406039 /nfs/dbraw/zinc/40/60/39/570406039.db2.gz RRDRXWGBAPJIMR-WVBUVRCRSA-N 0 0 382.456 4.636 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c1 ZINC000005048438 570406156 /nfs/dbraw/zinc/40/61/56/570406156.db2.gz FRQWSZNXOOPAPP-UHFFFAOYSA-N 0 0 381.453 4.885 50 0 GJAARN CC(=O)Nc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 ZINC000004806650 570406748 /nfs/dbraw/zinc/40/67/48/570406748.db2.gz WXKNICRUTJGSGI-DTQAZKPQSA-N 0 0 396.450 4.769 50 0 GJAARN Cc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000028185870 570407520 /nfs/dbraw/zinc/40/75/20/570407520.db2.gz CHUFCHAWYBMGMQ-BOPFTXTBSA-N 0 0 383.904 4.822 50 0 GJAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 ZINC000025184403 570407958 /nfs/dbraw/zinc/40/79/58/570407958.db2.gz SDFWRNQJNYARMA-IFMALSPDSA-N 0 0 379.891 4.664 50 0 biogenic GJAARN COc1ccc(CCn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 ZINC000005064681 570409623 /nfs/dbraw/zinc/40/96/23/570409623.db2.gz OOCGCEGDMUEIEX-UHFFFAOYSA-N 0 0 380.451 4.898 50 0 GJAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000004837109 570409699 /nfs/dbraw/zinc/40/96/99/570409699.db2.gz UFGHKMIBIKPYAT-QHCPKHFHSA-N 0 0 390.508 4.843 50 0 GJAARN COC(=O)c1ccc2c(c1)nc(C(Cl)=Cc1ccc(OC(C)C)cc1)[nH]c2=O ZINC000040139740 570409797 /nfs/dbraw/zinc/40/97/97/570409797.db2.gz WEMLTIBEQAHAEQ-YVLHZVERSA-N 0 0 398.846 4.646 50 0 GJAARN CN(C(=O)/C=C/c1ccc(OCc2ccccn2)cc1)[C@@H]1CCc2ccccc21 ZINC000040080070 570409834 /nfs/dbraw/zinc/40/98/34/570409834.db2.gz NDTSQHAALARBJM-JOPVOSQUSA-N 0 0 384.479 4.820 50 0 GJAARN CC(C)CC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000006871059 570410411 /nfs/dbraw/zinc/41/04/11/570410411.db2.gz ACFCDRNXIKYVNN-LJQANCHMSA-N 0 0 386.442 4.533 50 0 GJAARN CN(C(=O)c1ccccc1Cl)c1ccccc1C(=O)NCCc1ccccc1 ZINC000004839880 570410434 /nfs/dbraw/zinc/41/04/34/570410434.db2.gz ZPNWHIRIIIQAAU-UHFFFAOYSA-N 0 0 392.886 4.589 50 0 GJAARN CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000004843078 570411286 /nfs/dbraw/zinc/41/12/86/570411286.db2.gz ATCYPPCYMCDDLS-UHFFFAOYSA-N 0 0 380.488 4.600 50 0 GJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1cc(Cl)ccc1Cl ZINC000006423773 570411453 /nfs/dbraw/zinc/41/14/53/570411453.db2.gz BGLAEEMXKDSHLI-UHFFFAOYSA-N 0 0 387.679 4.649 50 0 GJAARN O=C(NCc1cccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000025352929 570411702 /nfs/dbraw/zinc/41/17/02/570411702.db2.gz NDLYVLJFANTFCP-UHFFFAOYSA-N 0 0 385.798 4.536 50 0 GJAARN Cc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000005071218 570412652 /nfs/dbraw/zinc/41/26/52/570412652.db2.gz NOTMUVDRUCTAEP-OAQYLSRUSA-N 0 0 397.540 4.558 50 0 GJAARN COc1cc(Br)c(C[NH2+][C@@H]2CCCc3ccccc32)cc1OC ZINC000025259679 570413081 /nfs/dbraw/zinc/41/30/81/570413081.db2.gz WAMGSOYNHBWRDX-QGZVFWFLSA-N 0 0 376.294 4.634 50 0 GJAARN CCOc1ccccc1NC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012999195 570413408 /nfs/dbraw/zinc/41/34/08/570413408.db2.gz BWCJQSQEVVAHMC-KRWDZBQOSA-N 0 0 389.499 4.683 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)N(Cc3ccco3)C3=CCCCC3)nc2c1 ZINC000005083235 570413628 /nfs/dbraw/zinc/41/36/28/570413628.db2.gz BZEJJICEMOECAZ-UHFFFAOYSA-N 0 0 397.500 4.743 50 0 GJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(Cl)cc3Cl)c12 ZINC000025469691 570414503 /nfs/dbraw/zinc/41/45/03/570414503.db2.gz GGJGVSZNJOKPSY-UHFFFAOYSA-N 0 0 377.275 4.959 50 0 GJAARN CC(C)N(CCOc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025637387 570417339 /nfs/dbraw/zinc/41/73/39/570417339.db2.gz XXIHHNURYASOSD-UHFFFAOYSA-N 0 0 393.531 4.510 50 0 GJAARN Cc1ccc2c(C)c(CCC(=O)NCCCSc3ccccc3)c(=O)oc2c1 ZINC000013014963 570418535 /nfs/dbraw/zinc/41/85/35/570418535.db2.gz AZHDARHHZBTUPP-UHFFFAOYSA-N 0 0 395.524 4.641 50 0 GJAARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1OC ZINC000025781811 570419521 /nfs/dbraw/zinc/41/95/21/570419521.db2.gz XFZIGCVQWKSTKY-HTAPYJJXSA-N 0 0 376.412 4.539 50 0 GJAARN O=C(C[C@H](c1ccsc1)n1cccc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000524730332 570420589 /nfs/dbraw/zinc/42/05/89/570420589.db2.gz FMUPUGCMCNCKGZ-OAQYLSRUSA-N 0 0 375.497 4.595 50 0 biogenic GJAARN COc1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2)c(OC)c1 ZINC000026047801 570421899 /nfs/dbraw/zinc/42/18/99/570421899.db2.gz ODACQQSRCQAQOP-UHFFFAOYSA-N 0 0 388.876 4.518 50 0 GJAARN O=C(Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1N1CCCCC1 ZINC000004998961 570422606 /nfs/dbraw/zinc/42/26/06/570422606.db2.gz UCZZQTQSVKPVMU-UHFFFAOYSA-N 0 0 377.532 4.848 50 0 GJAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C)o1)c1ccccc1 ZINC000032950437 570423018 /nfs/dbraw/zinc/42/30/18/570423018.db2.gz RDUDEZGLDUCIFB-HXUWFJFHSA-N 0 0 379.412 4.524 50 0 GJAARN COc1ccc(CCC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1 ZINC000005136980 570423816 /nfs/dbraw/zinc/42/38/16/570423816.db2.gz HAGIOAPVRUEBQG-UHFFFAOYSA-N 0 0 398.503 4.558 50 0 GJAARN O=c1c2cc(-c3ccccc3)sc2nnn1Cc1ccc(Cl)cc1Cl ZINC000001785060 570423934 /nfs/dbraw/zinc/42/39/34/570423934.db2.gz IIPBMDHEWPQVIQ-UHFFFAOYSA-N 0 0 388.279 4.875 50 0 GJAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1cccc(C(F)(F)F)c1 ZINC000005137465 570424033 /nfs/dbraw/zinc/42/40/33/570424033.db2.gz SSHLPYCBUGYXCT-UHFFFAOYSA-N 0 0 394.393 4.941 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccccc1F ZINC000005136262 570424766 /nfs/dbraw/zinc/42/47/66/570424766.db2.gz KYBDVCWEYGZVEM-UHFFFAOYSA-N 0 0 380.444 4.733 50 0 GJAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000005137548 570425093 /nfs/dbraw/zinc/42/50/93/570425093.db2.gz OSXLZOBHYACDLM-UHFFFAOYSA-N 0 0 394.393 4.941 50 0 GJAARN N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)S1 ZINC000005034950 570425240 /nfs/dbraw/zinc/42/52/40/570425240.db2.gz HKESPCUAVYIEGD-CHHVJCJISA-N 0 0 397.258 4.850 50 0 GJAARN Cc1c(C[NH2+]CCCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146365 570426767 /nfs/dbraw/zinc/42/67/67/570426767.db2.gz PBZCMZCUDZARSQ-UHFFFAOYSA-N 0 0 376.500 4.574 50 0 GJAARN Cc1c(C[NH2+]Cc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146329 570426795 /nfs/dbraw/zinc/42/67/95/570426795.db2.gz ZHSFPMMWTJXSAG-UHFFFAOYSA-N 0 0 382.891 4.795 50 0 GJAARN Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1 ZINC000005147149 570427008 /nfs/dbraw/zinc/42/70/08/570427008.db2.gz SWSCIJWSKZYMBX-UHFFFAOYSA-N 0 0 375.497 4.539 50 0 GJAARN Cc1cccc(CCNc2nc3ccccc3c3nc(-c4ccccc4)nn32)c1 ZINC000005055228 570427009 /nfs/dbraw/zinc/42/70/09/570427009.db2.gz TVVBOTXEJCGHCF-UHFFFAOYSA-N 0 0 379.467 4.908 50 0 GJAARN Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1Cl ZINC000037572535 570429666 /nfs/dbraw/zinc/42/96/66/570429666.db2.gz CIIOKAJWLDXGFT-HNNXBMFYSA-N 0 0 396.796 4.659 50 0 GJAARN Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037555115 570429986 /nfs/dbraw/zinc/42/99/86/570429986.db2.gz OYYQPJPUUSTDAD-UHFFFAOYSA-N 0 0 390.483 4.502 50 0 GJAARN CC(C)C(=O)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000011718633 570430002 /nfs/dbraw/zinc/43/00/02/570430002.db2.gz LYZHGKRFARXKST-UHFFFAOYSA-N 0 0 398.463 4.521 50 0 GJAARN Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1F ZINC000038486698 570430838 /nfs/dbraw/zinc/43/08/38/570430838.db2.gz VAGQMLDVXDWBOK-UHFFFAOYSA-N 0 0 385.855 4.741 50 0 GJAARN CCCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1cccc(C)c1 ZINC000005155768 570433561 /nfs/dbraw/zinc/43/35/61/570433561.db2.gz AGKSZPPPCVSWHN-UHFFFAOYSA-N 0 0 381.501 4.742 50 0 GJAARN CCCCOc1ccc(Br)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000005313886 570433635 /nfs/dbraw/zinc/43/36/35/570433635.db2.gz PULVQXZBTHDSDP-UHFFFAOYSA-N 0 0 388.265 4.757 50 0 GJAARN Cc1ccccc1CSc1nc2n[nH]cc2c(=O)n1-c1cc(Cl)ccc1C ZINC000005156374 570434398 /nfs/dbraw/zinc/43/43/98/570434398.db2.gz CMBQWXJJDXDHIQ-UHFFFAOYSA-N 0 0 396.903 4.671 50 0 GJAARN Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2)c1 ZINC000005343466 570434659 /nfs/dbraw/zinc/43/46/59/570434659.db2.gz WKWIAPJMJUPZBC-CPNJWEJPSA-N 0 0 380.831 4.651 50 0 GJAARN CCc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccccc2)n1 ZINC000011835367 570437251 /nfs/dbraw/zinc/43/72/51/570437251.db2.gz OLEKGACAYRRZLD-UHFFFAOYSA-N 0 0 379.485 4.529 50 0 GJAARN Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccccc1Cl)O2)CCC3 ZINC000011866499 570441458 /nfs/dbraw/zinc/44/14/58/570441458.db2.gz XBYDDYKRDJSFFR-QGZVFWFLSA-N 0 0 380.827 4.950 50 0 GJAARN COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1OC ZINC000005490820 570442022 /nfs/dbraw/zinc/44/20/22/570442022.db2.gz AKCGTTPACNGXQE-UHFFFAOYSA-N 0 0 387.439 4.808 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3C(C)C)cc1OC ZINC000005498429 570443164 /nfs/dbraw/zinc/44/31/64/570443164.db2.gz ISHNYCZNSRAUQS-UWJYYQICSA-N 0 0 386.879 4.883 50 0 GJAARN CCCc1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 ZINC000027814594 570443899 /nfs/dbraw/zinc/44/38/99/570443899.db2.gz JTOGUDZPMYEMJR-LBPRGKRZSA-N 0 0 398.513 4.636 50 0 GJAARN Clc1ccc(OCc2nn3c(nnc3-c3ccccc3Cl)s2)cc1 ZINC000005533387 570444780 /nfs/dbraw/zinc/44/47/80/570444780.db2.gz HBGDLJDJEHSVLD-UHFFFAOYSA-N 0 0 377.256 4.739 50 0 GJAARN Cc1cccc2c(C)cc3nnc(S[C@@H](C)C(=O)Nc4ccc(F)cc4)n3c12 ZINC000011903201 570445260 /nfs/dbraw/zinc/44/52/60/570445260.db2.gz LUFVWTFJXPKDGO-AWEZNQCLSA-N 0 0 394.475 4.758 50 0 GJAARN CC[C@H](C)[C@@H](C(=O)Nc1c(C)cc(C)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001910531 570446793 /nfs/dbraw/zinc/44/67/93/570446793.db2.gz CNNMRPJXAJIPCW-DJJJIMSYSA-N 0 0 398.890 4.606 50 0 GJAARN COc1ccc(-c2cc(NC(=O)c3oc4ccccc4c3C)on2)cc1OC ZINC000027985304 570447527 /nfs/dbraw/zinc/44/75/27/570447527.db2.gz QKPRFJWAMUGBOU-UHFFFAOYSA-N 0 0 378.384 4.666 50 0 GJAARN Cc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1 ZINC000011914554 570447712 /nfs/dbraw/zinc/44/77/12/570447712.db2.gz RFTWJOJOKHCCJH-UHFFFAOYSA-N 0 0 381.273 5.000 50 0 GJAARN Cc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1C ZINC000006479122 570447934 /nfs/dbraw/zinc/44/79/34/570447934.db2.gz MMTPFULZQWITOR-UHFFFAOYSA-N 0 0 392.484 4.576 50 0 GJAARN Cc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)sc2c1 ZINC000011914897 570448190 /nfs/dbraw/zinc/44/81/90/570448190.db2.gz ZRBOAAUADYGIJT-GFCCVEGCSA-N 0 0 391.452 4.835 50 0 GJAARN Cc1c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cnn1-c1ccccc1F ZINC000176617483 570449386 /nfs/dbraw/zinc/44/93/86/570449386.db2.gz GJWLKDAGAGSJRN-UHFFFAOYSA-N 0 0 376.391 4.591 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSCC(=O)Nc1c(C)cccc1CC ZINC000028183650 570451420 /nfs/dbraw/zinc/45/14/20/570451420.db2.gz NRMVQAGHIPOHHT-UHFFFAOYSA-N 0 0 384.545 4.739 50 0 GJAARN Cc1nc2ccccc2nc1SCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000028191280 570451865 /nfs/dbraw/zinc/45/18/65/570451865.db2.gz JYRMHWCRISAIQB-FQEVSTJZSA-N 0 0 377.513 4.566 50 0 GJAARN Fc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(Br)c1 ZINC000028188183 570451953 /nfs/dbraw/zinc/45/19/53/570451953.db2.gz ABZVMJLHQXALJX-UHFFFAOYSA-N 0 0 383.604 4.871 50 0 GJAARN CCc1ccc([C@H]2c3c(C)[nH]nc3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000008024925 570453442 /nfs/dbraw/zinc/45/34/42/570453442.db2.gz KBXQXOPIWXGKCU-IBGZPJMESA-N 0 0 396.288 4.793 50 0 GJAARN c1ccc(-c2nc3c(nc(-c4ccccc4)nc3NCc3cccnc3)o2)cc1 ZINC000028287717 570454697 /nfs/dbraw/zinc/45/46/97/570454697.db2.gz IJWIPOVSNKELAI-UHFFFAOYSA-N 0 0 379.423 4.959 50 0 GJAARN Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000012017930 570455070 /nfs/dbraw/zinc/45/50/70/570455070.db2.gz HHFVXBSROUCGDA-UHFFFAOYSA-N 0 0 375.881 4.563 50 0 GJAARN COc1ccccc1-c1noc(CN2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000089483981 570455365 /nfs/dbraw/zinc/45/53/65/570455365.db2.gz NEKOJHQIPJCOKP-UHFFFAOYSA-N 0 0 386.455 4.516 50 0 GJAARN COCCOc1ccc(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1Cl ZINC000126461762 570455413 /nfs/dbraw/zinc/45/54/13/570455413.db2.gz KVRCTZNYLDYBOO-AWEZNQCLSA-N 0 0 387.867 4.897 50 0 GJAARN O=C(Nc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1)c1cccs1 ZINC000006498777 570457310 /nfs/dbraw/zinc/45/73/10/570457310.db2.gz HXIGHGWYYQERKO-UHFFFAOYSA-N 0 0 388.246 4.899 50 0 GJAARN Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000032958323 570460005 /nfs/dbraw/zinc/46/00/05/570460005.db2.gz CGSHRKQMFBPMLQ-UHFFFAOYSA-N 0 0 389.524 4.810 50 0 GJAARN CCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(OC)cc1OC ZINC000064438578 570462769 /nfs/dbraw/zinc/46/27/69/570462769.db2.gz NNWSNFNEHUKSJY-UHFFFAOYSA-N 0 0 395.459 4.574 50 0 GJAARN O=C(COC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000001958079 570463075 /nfs/dbraw/zinc/46/30/75/570463075.db2.gz HZVMEELAKNJHAX-UHFFFAOYSA-N 0 0 388.044 4.796 50 0 GJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)NCC(C)C ZINC000035843529 570463946 /nfs/dbraw/zinc/46/39/46/570463946.db2.gz FTTVGIKFNSEDFC-UHFFFAOYSA-N 0 0 377.488 4.678 50 0 GJAARN O=C(NCCc1ccccc1)c1cc2ccsc2n1Cc1cccc(F)c1 ZINC000035843862 570464517 /nfs/dbraw/zinc/46/45/17/570464517.db2.gz BGUKOCOVHSYNJS-UHFFFAOYSA-N 0 0 378.472 4.863 50 0 GJAARN Cc1c(C(=O)N2CC[C@H](C)Sc3ccc(Cl)cc32)cnn1-c1ccncc1 ZINC000131271743 570465277 /nfs/dbraw/zinc/46/52/77/570465277.db2.gz LLDULYHLFSHGRG-ZDUSSCGKSA-N 0 0 398.919 4.760 50 0 GJAARN CCCCOc1ccc(NC(=O)CSc2nc3cc(OCC)ccc3[nH]2)cc1 ZINC000006072721 570465896 /nfs/dbraw/zinc/46/58/96/570465896.db2.gz OILJRVKVGZMDTD-UHFFFAOYSA-N 0 0 399.516 4.871 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnc(-c2ccc(C)cc2)nc1C ZINC000064473000 570468046 /nfs/dbraw/zinc/46/80/46/570468046.db2.gz RRBRHLIXBPIVNX-UHFFFAOYSA-N 0 0 381.863 4.983 50 0 GJAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(Cl)s1 ZINC000006532162 570468765 /nfs/dbraw/zinc/46/87/65/570468765.db2.gz LSTGDFZFOOHEEC-UHFFFAOYSA-N 0 0 389.933 4.894 50 0 GJAARN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccccc3Cl)ccc2O[C@@H](C)C1=O ZINC000035873865 570469294 /nfs/dbraw/zinc/46/92/94/570469294.db2.gz QUSUKFXJSXFBKF-KGLIPLIRSA-N 0 0 386.879 4.500 50 0 GJAARN COc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1OC ZINC000006539731 570470139 /nfs/dbraw/zinc/47/01/39/570470139.db2.gz GHSJTEXJKSCMKJ-SFHVURJKSA-N 0 0 377.868 4.744 50 0 GJAARN CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCc2ccccc21 ZINC000029258784 570470870 /nfs/dbraw/zinc/47/08/70/570470870.db2.gz DZRHNNZLEFKGKK-IBGZPJMESA-N 0 0 385.891 4.580 50 0 GJAARN COC(=O)c1ccc(C)c(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1 ZINC000006235868 570472901 /nfs/dbraw/zinc/47/29/01/570472901.db2.gz FYZUFIQNGPVDNP-UHFFFAOYSA-N 0 0 384.819 4.651 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/C(C)(C)C)CC2 ZINC000072284628 570473805 /nfs/dbraw/zinc/47/38/05/570473805.db2.gz CDPOGYMQPZVZPY-DJGBTNNQSA-N 0 0 385.529 4.842 50 0 GJAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000006341769 570477385 /nfs/dbraw/zinc/47/73/85/570477385.db2.gz QBCCPELRUDFBQK-CVDCTZTESA-N 0 0 388.398 4.797 50 0 GJAARN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000006359098 570477852 /nfs/dbraw/zinc/47/78/52/570477852.db2.gz RWJMFZXCDFMRDY-UHFFFAOYSA-N 0 0 383.469 4.598 50 0 GJAARN O=C(Cc1ccccc1Cl)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000006566922 570478774 /nfs/dbraw/zinc/47/87/74/570478774.db2.gz OEHNXPPIDFFKFL-NRFANRHFSA-N 0 0 389.886 4.859 50 0 GJAARN CCn1c(=O)c2c3c(sc2nc1SCc1c(F)cccc1F)CCCC3 ZINC000006489999 570481620 /nfs/dbraw/zinc/48/16/20/570481620.db2.gz PMTBFMZVTRQAAH-UHFFFAOYSA-N 0 0 392.496 4.927 50 0 GJAARN Cc1nc2cc(NC(=O)c3cc(-c4ccccc4)nc4onc(C)c43)ccc2o1 ZINC000030028515 570485059 /nfs/dbraw/zinc/48/50/59/570485059.db2.gz UEIPPGOFMUZXHH-UHFFFAOYSA-N 0 0 384.395 4.900 50 0 GJAARN COc1ccc(C(=O)Sc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000006588630 570486537 /nfs/dbraw/zinc/48/65/37/570486537.db2.gz IQVHZHUWAVRVIL-UHFFFAOYSA-N 0 0 393.493 4.937 50 0 GJAARN CCOC(=O)c1cc2cc3c(cc2nc1CSc1ccc(C)cc1)OCO3 ZINC000006758467 570492567 /nfs/dbraw/zinc/49/25/67/570492567.db2.gz HYHGGFFICAODKE-UHFFFAOYSA-N 0 0 381.453 4.741 50 0 GJAARN Clc1ccccc1CNc1nc2ccccc2c2nc(-c3cccnc3)nn21 ZINC000006805420 570494528 /nfs/dbraw/zinc/49/45/28/570494528.db2.gz QSYLCSFLGMXPAC-UHFFFAOYSA-N 0 0 386.846 4.605 50 0 GJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cc2ccccc2oc1=O ZINC000000861626 570497711 /nfs/dbraw/zinc/49/77/11/570497711.db2.gz HICNSJVZKHQSJU-UHFFFAOYSA-N 0 0 398.374 4.559 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)COCc1cc(-c2cccs2)on1 ZINC000006876605 570497858 /nfs/dbraw/zinc/49/78/58/570497858.db2.gz AYKQIEVRMCMHBA-UHFFFAOYSA-N 0 0 392.864 4.529 50 0 GJAARN O=C(CSc1nnnn1-c1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000006885762 570498304 /nfs/dbraw/zinc/49/83/04/570498304.db2.gz YYGBIPHQJUHUQJ-UHFFFAOYSA-N 0 0 378.501 4.685 50 0 GJAARN CCOc1ccc(-c2csc(-c3cc4cccc(OC)c4oc3=O)n2)cc1 ZINC000005196643 570500078 /nfs/dbraw/zinc/50/00/78/570500078.db2.gz GBVFKYZMZUDMLC-UHFFFAOYSA-N 0 0 379.437 4.991 50 0 GJAARN Cc1ccc(C(=O)Nn2c(-c3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1C ZINC000005198380 570500431 /nfs/dbraw/zinc/50/04/31/570500431.db2.gz BOBLEVZKMAAWGO-UHFFFAOYSA-N 0 0 397.478 4.681 50 0 GJAARN Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c(Cl)c1 ZINC000007389604 570504139 /nfs/dbraw/zinc/50/41/39/570504139.db2.gz ZXBDSGSJSKCEHC-UHFFFAOYSA-N 0 0 377.831 4.782 50 0 GJAARN COc1cccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)c1 ZINC000006623838 570507890 /nfs/dbraw/zinc/50/78/90/570507890.db2.gz HGEJACIFSRWRKK-UHFFFAOYSA-N 0 0 391.423 4.654 50 0 biogenic GJAARN CCCCSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002720037 570508389 /nfs/dbraw/zinc/50/83/89/570508389.db2.gz MRBZGRVUMCRKRF-UHFFFAOYSA-N 0 0 397.363 4.535 50 0 GJAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000002723224 570508878 /nfs/dbraw/zinc/50/88/78/570508878.db2.gz XUFUOOQORDOPOC-UHFFFAOYSA-N 0 0 387.892 4.655 50 0 GJAARN O=C(CSc1nccn1-c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000002722994 570509047 /nfs/dbraw/zinc/50/90/47/570509047.db2.gz ZLUMXSOFNPBNIT-UHFFFAOYSA-N 0 0 377.391 4.622 50 0 GJAARN COC(=O)c1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1 ZINC000002713930 570509473 /nfs/dbraw/zinc/50/94/73/570509473.db2.gz QTUXEHSEWHHHQQ-UHFFFAOYSA-N 0 0 381.240 4.642 50 0 GJAARN OCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714861 570509817 /nfs/dbraw/zinc/50/98/17/570509817.db2.gz HUFGNGNULQPPMR-UHFFFAOYSA-N 0 0 398.388 4.511 50 0 GJAARN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)CSc1ccc(F)cc1F ZINC000078951123 570510159 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ZINC000006873121 570664811 /nfs/dbraw/zinc/66/48/11/570664811.db2.gz LJJKLGXJEDVGFV-FQEVSTJZSA-N 0 0 382.479 4.702 50 0 GJAARN CC(C)CC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000006873474 570664883 /nfs/dbraw/zinc/66/48/83/570664883.db2.gz WKRDQEQUBBMBBY-HXUWFJFHSA-N 0 0 386.442 4.533 50 0 GJAARN CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 ZINC000013695273 570669188 /nfs/dbraw/zinc/66/91/88/570669188.db2.gz NYULRWGBCJXXHJ-UHFFFAOYSA-N 0 0 390.405 4.893 50 0 GJAARN CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(C(C)=O)cc1OC ZINC000005610656 570669363 /nfs/dbraw/zinc/66/93/63/570669363.db2.gz JECHFGHEZRTCAQ-UHFFFAOYSA-N 0 0 389.879 4.694 50 0 GJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(Cl)cc2Cl)C(C)C)n1 ZINC000036083026 570670500 /nfs/dbraw/zinc/67/05/00/570670500.db2.gz SITYBLBGZQWAEI-UHFFFAOYSA-N 0 0 398.334 4.778 50 0 GJAARN COc1cccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000005780840 570670466 /nfs/dbraw/zinc/67/04/66/570670466.db2.gz VYGRXSPSAWKQTK-UHFFFAOYSA-N 0 0 393.283 4.750 50 0 GJAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000012463083 570671051 /nfs/dbraw/zinc/67/10/51/570671051.db2.gz DQTVULXYIJFHKA-FQEVSTJZSA-N 0 0 381.479 4.914 50 0 GJAARN O=C(NCc1ccccc1)c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000033034660 570671127 /nfs/dbraw/zinc/67/11/27/570671127.db2.gz HWNOETLVPUTTJV-DEOSSOPVSA-N 0 0 398.506 4.636 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000012465127 570671208 /nfs/dbraw/zinc/67/12/08/570671208.db2.gz NEHRPFVCDUHEOC-NRFANRHFSA-N 0 0 391.433 4.553 50 0 GJAARN CCn1cc(CN2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000012468482 570672037 /nfs/dbraw/zinc/67/20/37/570672037.db2.gz XCJAMFWAOITVTG-NRFANRHFSA-N 0 0 389.499 4.790 50 0 GJAARN CCN1c2cc(C(=O)Nc3ccc(Cl)c(C)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000169766695 570673128 /nfs/dbraw/zinc/67/31/28/570673128.db2.gz XUDWHQRYQYJWCG-FQEVSTJZSA-N 0 0 397.906 4.693 50 0 GJAARN Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)n1 ZINC000012477921 570674304 /nfs/dbraw/zinc/67/43/04/570674304.db2.gz RUQWMGNFZOTNIS-QFIPXVFZSA-N 0 0 384.479 4.792 50 0 GJAARN Cc1ccc(-c2nc(-c3ccc(C(=O)N[C@@H](C)Cc4ccco4)s3)no2)cc1 ZINC000065062954 570674350 /nfs/dbraw/zinc/67/43/50/570674350.db2.gz KVOWVONGAIUCRX-AWEZNQCLSA-N 0 0 393.468 4.728 50 0 GJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000006881128 570675952 /nfs/dbraw/zinc/67/59/52/570675952.db2.gz XBUTXRCMZBFTMA-MRXNPFEDSA-N 0 0 390.414 4.610 50 0 GJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)n2)cc1 ZINC000032578568 570677279 /nfs/dbraw/zinc/67/72/79/570677279.db2.gz IANCUCDOGGEPIQ-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441921 570677348 /nfs/dbraw/zinc/67/73/48/570677348.db2.gz OYRFFYGRNTUGFM-UHFFFAOYSA-N 0 0 394.525 4.855 50 0 GJAARN CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccco3)n2)cc1 ZINC000012442193 570677462 /nfs/dbraw/zinc/67/74/62/570677462.db2.gz DCDWKIKJVDZGLF-UHFFFAOYSA-N 0 0 394.456 4.548 50 0 GJAARN CCOc1cc(C(=O)NCc2ccc(C(C)C)cc2)cc(OCC)c1OCC ZINC000072331499 570677626 /nfs/dbraw/zinc/67/76/26/570677626.db2.gz WRAQJFUVKFAULP-UHFFFAOYSA-N 0 0 385.504 4.936 50 0 GJAARN CSc1ccccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000032578600 570677779 /nfs/dbraw/zinc/67/77/79/570677779.db2.gz DHELWDLAFQEFSS-UHFFFAOYSA-N 0 0 383.473 4.599 50 0 GJAARN Cc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(C)c1 ZINC000032578922 570677940 /nfs/dbraw/zinc/67/79/40/570677940.db2.gz CCVSOLCYKSYKKA-QGZVFWFLSA-N 0 0 393.487 4.733 50 0 GJAARN COc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc(OC)c1OC ZINC000004348364 570680309 /nfs/dbraw/zinc/68/03/09/570680309.db2.gz HCUCKAFHHRTAEP-UHFFFAOYSA-N 0 0 386.473 4.698 50 0 GJAARN Cc1cccc(N2CCN(C(=S)Nc3ccc(OC(F)F)cc3)C[C@H]2C)c1 ZINC000005659594 570680505 /nfs/dbraw/zinc/68/05/05/570680505.db2.gz BORYNSMXPJMXDJ-OAHLLOKOSA-N 0 0 391.487 4.504 50 0 GJAARN COc1ccc(OC)c(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)c1 ZINC000012581498 570683739 /nfs/dbraw/zinc/68/37/39/570683739.db2.gz 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570692789 /nfs/dbraw/zinc/69/27/89/570692789.db2.gz QLMQSZQPGZACFR-UHFFFAOYSA-N 0 0 396.541 4.854 50 0 GJAARN CCc1nnc(SCC(=O)Nc2ccc(C)cc2C)c2cc3oc(C)cc3n21 ZINC000006894262 570693826 /nfs/dbraw/zinc/69/38/26/570693826.db2.gz HPMKNULYGIDPOX-UHFFFAOYSA-N 0 0 394.500 4.694 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)C1CCOCC1 ZINC000207962908 570695621 /nfs/dbraw/zinc/69/56/21/570695621.db2.gz VSEFYDAEYYFYAU-UHFFFAOYSA-N 0 0 383.435 4.631 50 0 GJAARN O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(C(F)(F)F)cc1 ZINC000207966119 570696037 /nfs/dbraw/zinc/69/60/37/570696037.db2.gz DTXXMAIXMGAWSQ-INIZCTEOSA-N 0 0 397.443 4.840 50 0 GJAARN CCC[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)OCC ZINC000004356783 570696470 /nfs/dbraw/zinc/69/64/70/570696470.db2.gz BIRQRHPKLBCTFU-GOSISDBHSA-N 0 0 399.491 4.897 50 0 GJAARN COc1cc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c32)cc(OC)c1 ZINC000006901875 570697063 /nfs/dbraw/zinc/69/70/63/570697063.db2.gz WKEIKNAYWMNQLT-UHFFFAOYSA-N 0 0 382.807 4.699 50 0 GJAARN O=c1c2c(nc(SCc3ccccc3F)n1CCc1ccccc1)CCS2 ZINC000004358812 570698606 /nfs/dbraw/zinc/69/86/06/570698606.db2.gz BGDBJKVCYVWRQY-UHFFFAOYSA-N 0 0 398.528 4.566 50 0 GJAARN CCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1Cl ZINC000017365020 570704918 /nfs/dbraw/zinc/70/49/18/570704918.db2.gz JFOVZQYRBRTAFO-UHFFFAOYSA-N 0 0 392.684 4.653 50 0 GJAARN c1ccc(CCCc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000072333565 570705071 /nfs/dbraw/zinc/70/50/71/570705071.db2.gz WMMLAXSGJNBZSL-UHFFFAOYSA-N 0 0 378.545 4.829 50 0 GJAARN O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1C(F)(F)F ZINC000012725555 570706729 /nfs/dbraw/zinc/70/67/29/570706729.db2.gz YKNLEVRIZJQWCF-INIZCTEOSA-N 0 0 396.840 4.753 50 0 GJAARN COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000032622099 570707084 /nfs/dbraw/zinc/70/70/84/570707084.db2.gz HQQYYMSEILALKY-UHFFFAOYSA-N 0 0 385.423 4.593 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCC3CCCCC3)C2)cc1 ZINC000065136275 570707933 /nfs/dbraw/zinc/70/79/33/570707933.db2.gz OYRLPAANGZFNSA-FQEVSTJZSA-N 0 0 385.552 4.716 50 0 GJAARN CCOc1ccc(-c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)cc1OCC ZINC000065137134 570708342 /nfs/dbraw/zinc/70/83/42/570708342.db2.gz MGQODOIPNPHWMP-UHFFFAOYSA-N 0 0 376.416 4.591 50 0 GJAARN Cc1nnc(S[C@H](C)C(=O)Nc2c(C)cccc2C)n1CCc1ccccc1 ZINC000000891397 570709208 /nfs/dbraw/zinc/70/92/08/570709208.db2.gz YQSDAWLPZMQRED-QGZVFWFLSA-N 0 0 394.544 4.565 50 0 GJAARN O=C(c1ccccc1F)N1CCC[C@@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148401 570710396 /nfs/dbraw/zinc/71/03/96/570710396.db2.gz IVURQVHCWMWKFQ-OAHLLOKOSA-N 0 0 394.425 4.518 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3C)c12 ZINC000012786597 570712525 /nfs/dbraw/zinc/71/25/25/570712525.db2.gz ZLVZCKROZYZHEF-UHFFFAOYSA-N 0 0 386.249 4.732 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1cnc(SC)nc1-c1ccccc1 ZINC000006938194 570712860 /nfs/dbraw/zinc/71/28/60/570712860.db2.gz GMBVYBOCOMJGIR-UHFFFAOYSA-N 0 0 385.876 4.780 50 0 GJAARN Cc1c(C(=O)N2CCCCC2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006940683 570713828 /nfs/dbraw/zinc/71/38/28/570713828.db2.gz GCEPMLINSGVGHQ-INIZCTEOSA-N 0 0 383.488 4.886 50 0 biogenic GJAARN O=C(c1occc1-c1ccccc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000058167668 570714422 /nfs/dbraw/zinc/71/44/22/570714422.db2.gz IELYMZKOASUALH-UHFFFAOYSA-N 0 0 398.466 4.752 50 0 GJAARN CC(=O)Nc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)s1 ZINC000012793040 570714763 /nfs/dbraw/zinc/71/47/63/570714763.db2.gz NYQILZPKGCIXIB-UHFFFAOYSA-N 0 0 384.526 4.653 50 0 GJAARN Cc1ccc(-c2nc(CCNC(=O)Cc3ccc(CC(C)C)cc3)co2)cc1 ZINC000058172199 570715446 /nfs/dbraw/zinc/71/54/46/570715446.db2.gz ADLJDPLZSUINNT-UHFFFAOYSA-N 0 0 376.500 4.750 50 0 GJAARN COc1cccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c1OC ZINC000012801298 570717408 /nfs/dbraw/zinc/71/74/08/570717408.db2.gz APHPGZAQSCJQEG-UHFFFAOYSA-N 0 0 391.467 4.555 50 0 GJAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N(C(C)C)C(C)C)c3ccccc3n2)o1 ZINC000006948054 570718154 /nfs/dbraw/zinc/71/81/54/570718154.db2.gz FGECUZXCCPBPSJ-UHFFFAOYSA-N 0 0 394.471 4.605 50 0 GJAARN COc1cc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC ZINC000006948461 570718657 /nfs/dbraw/zinc/71/86/57/570718657.db2.gz JHCQTFXXRPMENV-UHFFFAOYSA-N 0 0 398.484 4.705 50 0 GJAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1OC(F)F ZINC000002861386 570721420 /nfs/dbraw/zinc/72/14/20/570721420.db2.gz VKFPRSQTAUYACQ-UHFFFAOYSA-N 0 0 386.192 4.620 50 0 GJAARN O=C(c1ccc2ccccc2n1)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180429 570722089 /nfs/dbraw/zinc/72/20/89/570722089.db2.gz HMEDBYOKFCLQAQ-UHFFFAOYSA-N 0 0 392.474 4.833 50 0 GJAARN Cc1cccc(C(C)C)c1NC(=O)c1ccc(I)cc1 ZINC000002886891 570722079 /nfs/dbraw/zinc/72/20/79/570722079.db2.gz KYIIQTCVGMVUKU-UHFFFAOYSA-N 0 0 379.241 4.975 50 0 GJAARN COc1cccc(Nc2nc(C)c(C(=O)Nc3cc(C)ccc3OC)s2)c1 ZINC000065184826 570723049 /nfs/dbraw/zinc/72/30/49/570723049.db2.gz BURFFROZRAKAGS-UHFFFAOYSA-N 0 0 383.473 4.773 50 0 GJAARN Cc1nc(NCc2ccco2)sc1C(=O)Nc1ccc(Br)cc1 ZINC000065184695 570723218 /nfs/dbraw/zinc/72/32/18/570723218.db2.gz URYGWGMLCYQGDJ-UHFFFAOYSA-N 0 0 392.278 4.671 50 0 GJAARN COc1ccc2[nH]c(SCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)nc2c1 ZINC000006974978 570725371 /nfs/dbraw/zinc/72/53/71/570725371.db2.gz ONJSJQHMNRZBCU-UHFFFAOYSA-N 0 0 397.500 4.531 50 0 GJAARN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1CC(=O)Nc1cc(C)cc(C)c1 ZINC000065194780 570726171 /nfs/dbraw/zinc/72/61/71/570726171.db2.gz DCJGVSGVIRYSHN-UHFFFAOYSA-N 0 0 378.476 4.678 50 0 GJAARN CCOC(=O)CNc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(Cl)cn21 ZINC000004381917 570727155 /nfs/dbraw/zinc/72/71/55/570727155.db2.gz ORMLYWSVDIZPHZ-UHFFFAOYSA-N 0 0 385.895 4.927 50 0 GJAARN Cc1ccc(C)c(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 ZINC000011177421 570728255 /nfs/dbraw/zinc/72/82/55/570728255.db2.gz DKNZFVOPMQQCRG-UHFFFAOYSA-N 0 0 380.469 4.880 50 0 GJAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000006988557 570729827 /nfs/dbraw/zinc/72/98/27/570729827.db2.gz MAMUAINCAWHNOS-MRXNPFEDSA-N 0 0 380.488 4.517 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCc2ccccc2C1 ZINC000058394176 570730575 /nfs/dbraw/zinc/73/05/75/570730575.db2.gz SMUKZTLTOHVMQL-UHFFFAOYSA-N 0 0 389.421 4.896 50 0 GJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1I ZINC000005064044 570730741 /nfs/dbraw/zinc/73/07/41/570730741.db2.gz ASZDJCFZJRHUNF-UHFFFAOYSA-N 0 0 395.284 4.836 50 0 GJAARN O=C(NC1CCCCCC1)c1oc2ccccc2c1CSc1ncccn1 ZINC000058414326 570732340 /nfs/dbraw/zinc/73/23/40/570732340.db2.gz DCHPLVMXYNEVKX-UHFFFAOYSA-N 0 0 381.501 4.968 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(F)c(F)cc1Cl ZINC000006993851 570732601 /nfs/dbraw/zinc/73/26/01/570732601.db2.gz SRWVWOYNSLSXGT-UHFFFAOYSA-N 0 0 394.786 4.723 50 0 GJAARN COC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCCC2 ZINC000000942638 570732766 /nfs/dbraw/zinc/73/27/66/570732766.db2.gz UATBFWOMBLJFQD-UHFFFAOYSA-N 0 0 379.481 4.748 50 0 GJAARN CC(C)Oc1ccc(CNC(=O)Nc2cccc(OCc3cscn3)c2)cc1 ZINC000058426404 570732958 /nfs/dbraw/zinc/73/29/58/570732958.db2.gz KZRBUXYLJOCFMO-UHFFFAOYSA-N 0 0 397.500 4.831 50 0 GJAARN O=C(Nc1nc(-c2ccccc2F)cs1)c1cnn(-c2ccccc2F)c1 ZINC000058697214 570735097 /nfs/dbraw/zinc/73/50/97/570735097.db2.gz SCSNCSYEGASXGC-UHFFFAOYSA-N 0 0 382.395 4.526 50 0 GJAARN Cc1cc(C)c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000012977986 570735475 /nfs/dbraw/zinc/73/54/75/570735475.db2.gz RWUGVARTLJTYGQ-UHFFFAOYSA-N 0 0 382.548 4.663 50 0 GJAARN CC(C)Cc1ccc([C@H](C)NC(=O)Cc2csc(-c3ccccn3)n2)cc1 ZINC000012981523 570736270 /nfs/dbraw/zinc/73/62/70/570736270.db2.gz WLVCMSTVAUZYKA-INIZCTEOSA-N 0 0 379.529 4.824 50 0 GJAARN Cc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000006110296 570738501 /nfs/dbraw/zinc/73/85/01/570738501.db2.gz FTUIWCJOECOSEM-UHFFFAOYSA-N 0 0 378.284 4.858 50 0 GJAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)cc1OC ZINC000000957867 570738713 /nfs/dbraw/zinc/73/87/13/570738713.db2.gz OZMHYEAMCCODSC-JXMROGBWSA-N 0 0 390.277 4.817 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)COC(=O)/C=C/c1cccc2ccccc12 ZINC000000957199 570738802 /nfs/dbraw/zinc/73/88/02/570738802.db2.gz ABKMOPBMXVDAAD-FMIVXFBMSA-N 0 0 379.843 4.997 50 0 GJAARN 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CC(C)CC(=O)Nc1nc(-c2ccccc2)c(NC(=O)Cc2ccccc2)s1 ZINC000013551376 570757947 /nfs/dbraw/zinc/75/79/47/570757947.db2.gz HWQYLFBVEOYCDD-UHFFFAOYSA-N 0 0 393.512 4.976 50 0 GJAARN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)nn1C(C)C ZINC000036614114 570758025 /nfs/dbraw/zinc/75/80/25/570758025.db2.gz WAVPULIHMKFFRG-UHFFFAOYSA-N 0 0 393.422 4.675 50 0 GJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000001154422 570758116 /nfs/dbraw/zinc/75/81/16/570758116.db2.gz OTCGOCHNYDRILY-OAQYLSRUSA-N 0 0 377.488 4.693 50 0 GJAARN Cc1ccccc1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000013569173 570758857 /nfs/dbraw/zinc/75/88/57/570758857.db2.gz CGBIWPDETJFXNF-UHFFFAOYSA-N 0 0 389.278 4.920 50 0 GJAARN CN1c2ccc(NC(=O)c3cccc(Cl)c3)cc2Sc2ncccc2C1=O ZINC000065258357 570760144 /nfs/dbraw/zinc/76/01/44/570760144.db2.gz IKIMFHXGPMRJNF-UHFFFAOYSA-N 0 0 395.871 4.729 50 0 GJAARN CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2CC2CCOCC2)cc1 ZINC000065369977 570761681 /nfs/dbraw/zinc/76/16/81/570761681.db2.gz 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GJAARN Cc1ccccc1-c1noc(CSc2ccc(-c3ccc(F)cc3)nn2)n1 ZINC000033262503 570878644 /nfs/dbraw/zinc/87/86/44/570878644.db2.gz ZCKHITGBOOCCJP-UHFFFAOYSA-N 0 0 378.432 4.933 50 0 GJAARN COc1cccc2cc(C(=O)N(Cc3ccsc3)Cc3ccccn3)oc21 ZINC000044446030 570879888 /nfs/dbraw/zinc/87/98/88/570879888.db2.gz LKSCVNLPINQWFE-UHFFFAOYSA-N 0 0 378.453 4.741 50 0 GJAARN FC(F)(F)c1cccc(C2(CNc3ccnc(C4CC4)n3)CCOCC2)c1 ZINC000170624755 570880944 /nfs/dbraw/zinc/88/09/44/570880944.db2.gz LLHGTKXGIPJRBZ-UHFFFAOYSA-N 0 0 377.410 4.533 50 0 GJAARN Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2c1C ZINC000009883662 570886308 /nfs/dbraw/zinc/88/63/08/570886308.db2.gz YYEZPJPECFXHRH-UHFFFAOYSA-N 0 0 377.307 4.881 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2[C@H](C)c2nnc(-c3cccs3)o2)c1 ZINC000103357952 570881567 /nfs/dbraw/zinc/88/15/67/570881567.db2.gz JTPRPTRNEKVBLP-CJNGLKHVSA-N 0 0 385.489 4.713 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000004558259 570882090 /nfs/dbraw/zinc/88/20/90/570882090.db2.gz IKVJQQZQALNUAK-UHFFFAOYSA-N 0 0 395.908 4.829 50 0 GJAARN O=C(NCC1(c2ccc(Cl)cc2)CCCCC1)c1ncoc1[C@H]1CCCO1 ZINC000170627202 570882942 /nfs/dbraw/zinc/88/29/42/570882942.db2.gz IRQUWILXOLIBLR-QGZVFWFLSA-N 0 0 388.895 4.811 50 0 GJAARN Cc1cccc(C)c1NC(=O)NCCc1nc2cccnc2n1C1CCCC1 ZINC000033265879 570883977 /nfs/dbraw/zinc/88/39/77/570883977.db2.gz MDTDXQNEMKWUFB-UHFFFAOYSA-N 0 0 377.492 4.527 50 0 GJAARN Cc1oc2ncnc(NC(=O)CCc3ccc(-c4ccccc4F)o3)c2c1C ZINC000170630845 570884269 /nfs/dbraw/zinc/88/42/69/570884269.db2.gz PEIYRMFPLQGZOX-UHFFFAOYSA-N 0 0 379.391 4.810 50 0 GJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1nc2c(s1)CCCCC2 ZINC000032885736 570885039 /nfs/dbraw/zinc/88/50/39/570885039.db2.gz VQWPPSOIPFBVCY-UHFFFAOYSA-N 0 0 375.544 4.778 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(NCc2ccco2)s1 ZINC000009882628 570886414 /nfs/dbraw/zinc/88/64/14/570886414.db2.gz YLQWDPMULJEWGA-UHFFFAOYSA-N 0 0 384.486 4.508 50 0 GJAARN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)[C@H]1C ZINC000103586867 570887471 /nfs/dbraw/zinc/88/74/71/570887471.db2.gz QGZLQDWUZWFMAP-JTVIBVMUSA-N 0 0 396.556 4.600 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)c1 ZINC000022412216 570890114 /nfs/dbraw/zinc/89/01/14/570890114.db2.gz KDVJCHZZDJYAJT-UHFFFAOYSA-N 0 0 395.484 4.748 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cs1 ZINC000012619203 570891327 /nfs/dbraw/zinc/89/13/27/570891327.db2.gz CKRKJSLJGIFJRX-UHFFFAOYSA-N 0 0 390.892 4.839 50 0 GJAARN CC(=O)Nc1ccc(SCC[S@](=O)c2cc(Cl)ccc2Cl)cc1 ZINC000042570955 570891729 /nfs/dbraw/zinc/89/17/29/570891729.db2.gz RPRVUHDZBMIYRZ-HSZRJFAPSA-N 0 0 388.341 4.852 50 0 GJAARN O=C(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)N1CCC2(CCO2)CC1 ZINC000299756490 570891810 /nfs/dbraw/zinc/89/18/10/570891810.db2.gz FZENPHACKKJROW-UHFFFAOYSA-N 0 0 375.390 4.768 50 0 GJAARN CCCOc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1OCCC ZINC000097105663 570894124 /nfs/dbraw/zinc/89/41/24/570894124.db2.gz QKMQDVIWALSQBU-UHFFFAOYSA-N 0 0 377.510 4.666 50 0 GJAARN O=C(CCC(=O)c1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032900622 570894834 /nfs/dbraw/zinc/89/48/34/570894834.db2.gz SFSOAJLONWSPBK-UHFFFAOYSA-N 0 0 387.439 4.932 50 0 GJAARN COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000013331429 570896009 /nfs/dbraw/zinc/89/60/09/570896009.db2.gz VHPULOIALKLFOA-UHFFFAOYSA-N 0 0 378.476 4.818 50 0 GJAARN O=C(Nc1nnc(Cc2cccs2)o1)c1sc2ccccc2c1Cl ZINC000013653439 570899721 /nfs/dbraw/zinc/89/97/21/570899721.db2.gz CZQCQWNFFHPDLZ-UHFFFAOYSA-N 0 0 375.862 4.842 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)c1ccco1 ZINC000015778672 570904272 /nfs/dbraw/zinc/90/42/72/570904272.db2.gz QDJCUPJAAPLKGW-QGZVFWFLSA-N 0 0 379.803 4.502 50 0 GJAARN NC(=O)Nc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000014343707 570905088 /nfs/dbraw/zinc/90/50/88/570905088.db2.gz LABKARJZWKCUMK-UHFFFAOYSA-N 0 0 389.499 4.897 50 0 GJAARN CN(Cc1ccc(F)cc1F)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000032908233 570909090 /nfs/dbraw/zinc/90/90/90/570909090.db2.gz JDRCHQNURCUSSP-UHFFFAOYSA-N 0 0 376.403 4.584 50 0 GJAARN CCCCOC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000014674526 570909542 /nfs/dbraw/zinc/90/95/42/570909542.db2.gz WDIXJPZCUHVGJB-UHFFFAOYSA-N 0 0 377.440 4.710 50 0 GJAARN Cc1nc(CC(=O)N(c2cc3c(cc2Cl)OCO3)C2CCCCC2)cs1 ZINC000089709065 570910549 /nfs/dbraw/zinc/91/05/49/570910549.db2.gz IDEHNCLCEGXOCX-UHFFFAOYSA-N 0 0 392.908 4.742 50 0 GJAARN Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(Br)cc3)C2)o1 ZINC000079046918 570911398 /nfs/dbraw/zinc/91/13/98/570911398.db2.gz DDYGFUWMKHUEMR-INIZCTEOSA-N 0 0 399.244 4.935 50 0 GJAARN COc1ccc2oc(C(=O)OCC(=O)c3cc(C)n(C4CC4)c3C)c(C)c2c1 ZINC000032910487 570911902 /nfs/dbraw/zinc/91/19/02/570911902.db2.gz AJKNFOYIKUJSSQ-UHFFFAOYSA-N 0 0 381.428 4.543 50 0 GJAARN COc1cccc(Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 ZINC000023126805 570912011 /nfs/dbraw/zinc/91/20/11/570912011.db2.gz FLBGAQHMJSQPDI-UHFFFAOYSA-N 0 0 382.872 4.835 50 0 GJAARN Cc1ccc(SCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000004496457 570912185 /nfs/dbraw/zinc/91/21/85/570912185.db2.gz CXJGZTPGHIHORI-UHFFFAOYSA-N 0 0 384.482 4.578 50 0 GJAARN COc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000016841222 570913406 /nfs/dbraw/zinc/91/34/06/570913406.db2.gz MJUZZJJINMPSEM-UHFFFAOYSA-N 0 0 397.232 4.565 50 0 GJAARN CCOc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1 ZINC000016842859 570913565 /nfs/dbraw/zinc/91/35/65/570913565.db2.gz ZSXJUKSMLCMTPV-UHFFFAOYSA-N 0 0 380.448 4.904 50 0 GJAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000005735317 570913637 /nfs/dbraw/zinc/91/36/37/570913637.db2.gz FWONXBXDDJZNKB-GOSISDBHSA-N 0 0 389.521 4.513 50 0 GJAARN O=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2Cl)CC1 ZINC000023136744 570916153 /nfs/dbraw/zinc/91/61/53/570916153.db2.gz BQLARSZEOIPFOJ-UHFFFAOYSA-N 0 0 398.919 4.503 50 0 GJAARN Cc1ccc2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc2c1C ZINC000004585345 570916713 /nfs/dbraw/zinc/91/67/13/570916713.db2.gz DTVOVIVGRFCHLL-UHFFFAOYSA-N 0 0 391.949 4.590 50 0 GJAARN COc1cc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)ccc1O ZINC000263585897 570918148 /nfs/dbraw/zinc/91/81/48/570918148.db2.gz NQYSROZBGVNGOE-GOSISDBHSA-N 0 0 398.462 4.878 50 0 biogenic GJAARN COc1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)ccc1O ZINC000263585898 570918155 /nfs/dbraw/zinc/91/81/55/570918155.db2.gz NQYSROZBGVNGOE-SFHVURJKSA-N 0 0 398.462 4.878 50 0 biogenic GJAARN CSc1nc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2s1 ZINC000032913046 570918316 /nfs/dbraw/zinc/91/83/16/570918316.db2.gz CCPKNUNGARRKJA-UHFFFAOYSA-N 0 0 380.498 4.515 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000004585509 570921836 /nfs/dbraw/zinc/92/18/36/570921836.db2.gz GSWJEIHEAINGHZ-UHFFFAOYSA-N 0 0 389.499 4.993 50 0 GJAARN Cc1cc2cc(CNC(=O)c3cc(Br)ccc3Cl)ccc2n1C ZINC000004061518 570927114 /nfs/dbraw/zinc/92/71/14/570927114.db2.gz BFWDBMYMUCRDTM-UHFFFAOYSA-N 0 0 391.696 4.833 50 0 GJAARN CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000170633540 570927508 /nfs/dbraw/zinc/92/75/08/570927508.db2.gz NQFSQCIALQDVQX-SFHVURJKSA-N 0 0 379.460 4.622 50 0 GJAARN O=C1CSC(N2N=C3C(=Cc4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)=N1 ZINC000051330510 570929267 /nfs/dbraw/zinc/92/92/67/570929267.db2.gz WEYCYEKZTKUHIW-VJGPPREKSA-N 0 0 387.508 4.912 50 0 GJAARN Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)(C)C)c(Br)c1 ZINC000001122466 570931873 /nfs/dbraw/zinc/93/18/73/570931873.db2.gz JOLKNMMRGDBWJR-UHFFFAOYSA-N 0 0 390.321 4.964 50 0 GJAARN Cc1csc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)n1 ZINC000046894300 570935525 /nfs/dbraw/zinc/93/55/25/570935525.db2.gz DRBKPJLFEZLPDP-UHFFFAOYSA-N 0 0 390.262 4.654 50 0 GJAARN CCOc1ccccc1CNc1onc(-c2ccc(Cl)cc2)c1C(=O)OC ZINC000046914161 570936479 /nfs/dbraw/zinc/93/64/79/570936479.db2.gz FWYLVRCFAWWSJM-UHFFFAOYSA-N 0 0 386.835 4.792 50 0 GJAARN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(COc2ccccc2F)o1 ZINC000047080403 570939775 /nfs/dbraw/zinc/93/97/75/570939775.db2.gz TZRADKMQSGVYDN-UHFFFAOYSA-N 0 0 377.375 4.640 50 0 GJAARN C[C@@H](NC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1 ZINC000032933015 570946029 /nfs/dbraw/zinc/94/60/29/570946029.db2.gz XRTLDNAKGLMFQV-MRXNPFEDSA-N 0 0 391.446 4.638 50 0 GJAARN O=C([O-])CCC[N@@H+]1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000034884331 570948351 /nfs/dbraw/zinc/94/83/51/570948351.db2.gz PVCTYSQBVIGZRU-KRWDZBQOSA-N 0 0 389.879 4.840 50 0 investigational GJAARN Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn32)cc1C ZINC000004735174 570948559 /nfs/dbraw/zinc/94/85/59/570948559.db2.gz BHHCPMKJXHGTDO-UHFFFAOYSA-N 0 0 399.498 4.593 50 0 GJAARN COc1cc(-c2nc3ncccn3c2Nc2ccc(C)c(Cl)c2)ccc1O ZINC000004734041 570948593 /nfs/dbraw/zinc/94/85/93/570948593.db2.gz CIZGQNRZJIZTGR-UHFFFAOYSA-N 0 0 380.835 4.816 50 0 GJAARN CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000004735799 570950215 /nfs/dbraw/zinc/95/02/15/570950215.db2.gz RKJGJGWWWQUIRF-UHFFFAOYSA-N 0 0 385.485 4.978 50 0 GJAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000010643062 570953653 /nfs/dbraw/zinc/95/36/53/570953653.db2.gz IIJFSFJKYYSPJC-UGKGYDQZSA-N 0 0 390.870 4.672 50 0 GJAARN COc1ccccc1NC(=O)CSc1nccnc1Sc1cccc(C)c1 ZINC000033289084 570956466 /nfs/dbraw/zinc/95/64/66/570956466.db2.gz CVRJLBMKGKVVLR-UHFFFAOYSA-N 0 0 397.525 4.676 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 ZINC000012111486 570959177 /nfs/dbraw/zinc/95/91/77/570959177.db2.gz FOQNKUAFDUKTPH-UHFFFAOYSA-N 0 0 393.439 4.619 50 0 GJAARN Cc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000252457263 570959330 /nfs/dbraw/zinc/95/93/30/570959330.db2.gz RUKOQHOSZDZYOS-JPYJTQIMSA-N 0 0 389.499 4.664 50 0 GJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccc(C)cc3)c(C)c21 ZINC000004744314 570959894 /nfs/dbraw/zinc/95/98/94/570959894.db2.gz DEKPZUQEKSLESY-UHFFFAOYSA-N 0 0 389.451 4.632 50 0 GJAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(F)c1 ZINC000032104469 570960498 /nfs/dbraw/zinc/96/04/98/570960498.db2.gz ITAFZHMCNCGWDK-INIZCTEOSA-N 0 0 398.825 4.823 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)Cc3cc(C)ccc3C)cc2s1 ZINC000033298873 570962997 /nfs/dbraw/zinc/96/29/97/570962997.db2.gz MXYSDXRFVKRKFU-UHFFFAOYSA-N 0 0 392.571 4.967 50 0 GJAARN Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccncc2)cc1 ZINC000002335843 570965214 /nfs/dbraw/zinc/96/52/14/570965214.db2.gz WXDPLPVXMJZZRR-UHFFFAOYSA-N 0 0 398.495 4.806 50 0 GJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000012699975 570965675 /nfs/dbraw/zinc/96/56/75/570965675.db2.gz QNXAILTUJRFDNQ-UHFFFAOYSA-N 0 0 376.504 4.689 50 0 GJAARN CCc1ccc2nc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)sc2c1 ZINC000083825559 570966666 /nfs/dbraw/zinc/96/66/66/570966666.db2.gz AMWSLYMSSOCWRQ-GDBMZVCRSA-N 0 0 385.489 4.572 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000252480851 570968197 /nfs/dbraw/zinc/96/81/97/570968197.db2.gz CFDNTCBMMQKTQV-OAHLLOKOSA-N 0 0 399.441 4.651 50 0 GJAARN CCc1ccc(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3C(N)=O)s2)cc1 ZINC000170643529 570968216 /nfs/dbraw/zinc/96/82/16/570968216.db2.gz IEEOILIBZCTDQH-UHFFFAOYSA-N 0 0 399.903 4.686 50 0 GJAARN COc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(C)n1 ZINC000012225720 570968351 /nfs/dbraw/zinc/96/83/51/570968351.db2.gz CSWUEIAADPWDKR-UHFFFAOYSA-N 0 0 381.411 4.629 50 0 GJAARN O=C(c1ccc(-c2ccsc2)cc1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000211111811 570970003 /nfs/dbraw/zinc/97/00/03/570970003.db2.gz DNKXEEBUDDGWOW-HSZRJFAPSA-N 0 0 389.476 4.717 50 0 GJAARN COc1ccc(NC(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)cc1F ZINC000033312717 570971337 /nfs/dbraw/zinc/97/13/37/570971337.db2.gz ZVVDSKYQLUQGHI-UHFFFAOYSA-N 0 0 394.381 4.932 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C)cc3)c(C)c2oc1=O ZINC000002148997 570972113 /nfs/dbraw/zinc/97/21/13/570972113.db2.gz ZXSNNWGDFUTBRP-UHFFFAOYSA-N 0 0 394.467 4.793 50 0 biogenic GJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000033317623 570973656 /nfs/dbraw/zinc/97/36/56/570973656.db2.gz LDUOPIZAZCWSDH-NRFANRHFSA-N 0 0 391.515 4.806 50 0 GJAARN CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000033317689 570973889 /nfs/dbraw/zinc/97/38/89/570973889.db2.gz BBLHBDSNGGPJHH-NRFANRHFSA-N 0 0 397.906 4.761 50 0 GJAARN O=C(CCCCc1nc2ccccc2s1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000044709346 570976341 /nfs/dbraw/zinc/97/63/41/570976341.db2.gz HAVYFYZZAZAHSJ-LJQANCHMSA-N 0 0 398.503 4.748 50 0 GJAARN COc1cccc(NC2CCN(C(=O)Nc3ccc(C4CC4)c(F)c3)CC2)c1 ZINC000252498421 570976620 /nfs/dbraw/zinc/97/66/20/570976620.db2.gz RBQLOKPFOZXWCD-UHFFFAOYSA-N 0 0 383.467 4.820 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)n[nH]2)cc1 ZINC000044837676 570978756 /nfs/dbraw/zinc/97/87/56/570978756.db2.gz CFUAYQXRDFQZFZ-UHFFFAOYSA-N 0 0 381.435 4.868 50 0 GJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000012737466 570979260 /nfs/dbraw/zinc/97/92/60/570979260.db2.gz MQQNPNNXOGHPNJ-INIZCTEOSA-N 0 0 378.497 4.752 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000027267963 570979312 /nfs/dbraw/zinc/97/93/12/570979312.db2.gz KOGCCWGSCJGTSQ-UHFFFAOYSA-N 0 0 390.487 4.726 50 0 GJAARN Fc1ccccc1CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019359441 570979693 /nfs/dbraw/zinc/97/96/93/570979693.db2.gz BCIMJUSPIFNNQI-UHFFFAOYSA-N 0 0 376.475 4.936 50 0 GJAARN O=C(Nc1ccccc1C(=O)NCc1nc2ccccc2s1)c1cccs1 ZINC000012737124 570979797 /nfs/dbraw/zinc/97/97/97/570979797.db2.gz FXBCILVCPOUFEA-UHFFFAOYSA-N 0 0 393.493 4.540 50 0 GJAARN Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4)n3)c2)cc1 ZINC000033327227 570981916 /nfs/dbraw/zinc/98/19/16/570981916.db2.gz VMLFNPWBYAHEMW-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN O=C(COc1cccc(-c2noc(-c3ccccc3)n2)c1)Nc1ccc(F)cc1 ZINC000033327233 570982123 /nfs/dbraw/zinc/98/21/23/570982123.db2.gz OODFLAXJWACRBL-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN COc1ccc2cc(C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)[nH]c2c1 ZINC000585150185 570983068 /nfs/dbraw/zinc/98/30/68/570983068.db2.gz FSGQVBAJBCSHQE-UHFFFAOYSA-N 0 0 386.455 4.629 50 0 GJAARN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(OCC)c1 ZINC000002168016 570983282 /nfs/dbraw/zinc/98/32/82/570983282.db2.gz 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Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000001225921 212230463 /nfs/dbraw/zinc/23/04/63/212230463.db2.gz UXVZGIQJMTUDIQ-FGEXJBCWSA-N 0 0 379.459 4.566 50 0 GJAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000001217388 212230471 /nfs/dbraw/zinc/23/04/71/212230471.db2.gz RLQNIEUBOHFDBN-UHFFFAOYSA-N 0 0 376.847 4.943 50 0 GJAARN CCc1ccc(-c2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)cc1 ZINC000001207962 212229439 /nfs/dbraw/zinc/22/94/39/212229439.db2.gz NMPFCKYAHMXDEW-UHFFFAOYSA-N 0 0 378.453 4.858 50 0 GJAARN CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 ZINC000001190793 212227324 /nfs/dbraw/zinc/22/73/24/212227324.db2.gz LKMOZGKQULUHBU-UHFFFAOYSA-N 0 0 391.452 4.777 50 0 GJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1nc2ccc(C)cc2s1 ZINC000001176064 212225793 /nfs/dbraw/zinc/22/57/93/212225793.db2.gz WIKWODXVZKQNOT-UHFFFAOYSA-N 0 0 381.482 4.786 50 0 GJAARN COc1cccc(NC(=O)Nc2nnc(CSCc3ccccc3)s2)c1 ZINC000001168713 212225454 /nfs/dbraw/zinc/22/54/54/212225454.db2.gz 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Cc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CC[C@H](C)C3 ZINC000001104469 212217852 /nfs/dbraw/zinc/21/78/52/212217852.db2.gz JQQWZRBWGSQXHW-JTQLQIEISA-N 0 0 389.318 4.643 50 0 GJAARN Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCc2ccco2)cc1)CC3 ZINC000001079006 212215745 /nfs/dbraw/zinc/21/57/45/212215745.db2.gz KGKPIDIDRWZTKC-UHFFFAOYSA-N 0 0 383.451 4.760 50 0 GJAARN C[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2ccccc2)C1 ZINC000001081027 212215762 /nfs/dbraw/zinc/21/57/62/212215762.db2.gz RUTAZMGDGMHQEL-AWEZNQCLSA-N 0 0 391.496 4.773 50 0 GJAARN Cc1nnc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)s1 ZINC000001083362 212215174 /nfs/dbraw/zinc/21/51/74/212215174.db2.gz FLVVAFRFNBLKHY-UHFFFAOYSA-N 0 0 380.860 4.967 50 0 GJAARN CCOC(=O)c1cnn2c1N[C@H](c1ccc(C(C)C)cc1)C[C@@H]2C(F)(F)F ZINC000001071568 212214189 /nfs/dbraw/zinc/21/41/89/212214189.db2.gz YTHKWYQPULVTLD-JKSUJKDBSA-N 0 0 381.398 4.844 50 0 GJAARN COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000001064141 212213052 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Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000000941270 212197166 /nfs/dbraw/zinc/19/71/66/212197166.db2.gz YYRDQERBQFLGQV-UHFFFAOYSA-N 0 0 375.255 4.701 50 0 GJAARN CC(C)c1ccccc1NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000958154 212200200 /nfs/dbraw/zinc/20/02/00/212200200.db2.gz JMKYFJYWCADQFQ-UHFFFAOYSA-N 0 0 394.515 4.890 50 0 GJAARN COc1ccc(C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000868786 212191379 /nfs/dbraw/zinc/19/13/79/212191379.db2.gz PTYGROSWVBZXOC-QHCPKHFHSA-N 0 0 394.492 4.792 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000000871593 212191019 /nfs/dbraw/zinc/19/10/19/212191019.db2.gz LCQVRNLJPLTZRY-ZOVQAKDCSA-N 0 0 393.486 4.643 50 0 GJAARN COc1ccc(C2(CNC(=O)c3cc4ccccc4o3)CCCC2)cc1OC ZINC000000857367 212190355 /nfs/dbraw/zinc/19/03/55/212190355.db2.gz CPVKTQCNZORDDG-UHFFFAOYSA-N 0 0 379.456 4.692 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000000908031 212194160 /nfs/dbraw/zinc/19/41/60/212194160.db2.gz ZKGYGAWRKQBYMJ-UHFFFAOYSA-N 0 0 393.826 4.882 50 0 GJAARN Cc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1C ZINC000000804476 212182357 /nfs/dbraw/zinc/18/23/57/212182357.db2.gz YHORGLRGDXYWQE-MRXNPFEDSA-N 0 0 394.418 4.764 50 0 GJAARN COc1ccccc1OCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000000802343 212182018 /nfs/dbraw/zinc/18/20/18/212182018.db2.gz ZMORGOHEONZHTB-UHFFFAOYSA-N 0 0 387.439 4.564 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc2nsnc21 ZINC000000816378 212185297 /nfs/dbraw/zinc/18/52/97/212185297.db2.gz PGCUSUQHJOCJEK-UHFFFAOYSA-N 0 0 388.811 4.700 50 0 GJAARN CC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000000812302 212183987 /nfs/dbraw/zinc/18/39/87/212183987.db2.gz PXCIPRHZCPWGKH-UHFFFAOYSA-N 0 0 376.890 4.883 50 0 GJAARN COc1ccc(O[C@@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000000719098 212177806 /nfs/dbraw/zinc/17/78/06/212177806.db2.gz GKPLVSYLGAWFIO-YADHBBJMSA-N 0 0 377.415 4.678 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccccc1F ZINC000000668075 212170743 /nfs/dbraw/zinc/17/07/43/212170743.db2.gz QVIBRDNIODGDFV-NRFANRHFSA-N 0 0 391.442 4.701 50 0 GJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 ZINC000000658130 212170762 /nfs/dbraw/zinc/17/07/62/212170762.db2.gz MOWWRHVSTOOEOG-HNNXBMFYSA-N 0 0 386.542 4.657 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)c4cc(OC)ccc4OC)c(N)c3cc2C1 ZINC000000661982 212170501 /nfs/dbraw/zinc/17/05/01/212170501.db2.gz ZRJQLWFGAJIOQI-GFCCVEGCSA-N 0 0 396.512 4.642 50 0 GJAARN Cc1cccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000000703868 212175093 /nfs/dbraw/zinc/17/50/93/212175093.db2.gz XHNUHXFFHLIKJY-FQEVSTJZSA-N 0 0 381.479 4.914 50 0 GJAARN CCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)n1 ZINC000000633076 212166596 /nfs/dbraw/zinc/16/65/96/212166596.db2.gz UYBWCYBBJRQZRI-UHFFFAOYSA-N 0 0 381.863 4.509 50 0 GJAARN Fc1ccccc1N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000000628540 212166243 /nfs/dbraw/zinc/16/62/43/212166243.db2.gz GTAFWZFSESLJSP-UHFFFAOYSA-N 0 0 390.487 4.824 50 0 GJAARN Cc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000000626090 212166168 /nfs/dbraw/zinc/16/61/68/212166168.db2.gz FQPQBSSHISFOLT-UHFFFAOYSA-N 0 0 399.082 4.538 50 0 GJAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000652126 212169871 /nfs/dbraw/zinc/16/98/71/212169871.db2.gz HESNLBXDXNDGRA-UHFFFAOYSA-N 0 0 393.826 4.632 50 0 GJAARN Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000000646559 212169416 /nfs/dbraw/zinc/16/94/16/212169416.db2.gz PHDKXDNMEWCUCV-UHFFFAOYSA-N 0 0 393.390 4.795 50 0 GJAARN COc1cc(C2=C3C(=O)OC[C@H]3Cc3ccccc32)ccc1OCc1ccccc1 ZINC000000639948 212168541 /nfs/dbraw/zinc/16/85/41/212168541.db2.gz MQYLLYFGMUKMOX-HXUWFJFHSA-N 0 0 398.458 4.805 50 0 GJAARN CC1(C)C(C(=O)Nc2cc(Br)ccc2Br)C1(C)C ZINC000000626295 212165232 /nfs/dbraw/zinc/16/52/32/212165232.db2.gz TZAUJUGHFUCFJM-UHFFFAOYSA-N 0 0 375.104 4.832 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SC/C=C\c2ccccc2)nc1 ZINC000096499169 212155102 /nfs/dbraw/zinc/15/51/02/212155102.db2.gz QFUSEBRMVKIEBP-YFHOEESVSA-N 0 0 385.492 4.895 50 0 GJAARN O=C(/C=C\c1cccc2cccnc12)OCc1nc2ccccc2n1C(F)F ZINC000096401471 212155267 /nfs/dbraw/zinc/15/52/67/212155267.db2.gz IQMIBVXASXTQPS-KHPPLWFESA-N 0 0 379.366 4.736 50 0 GJAARN C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021934120 212153426 /nfs/dbraw/zinc/15/34/26/212153426.db2.gz BDQDJZKHGMZPOM-OAHLLOKOSA-N 0 0 377.513 4.905 50 0 GJAARN COc1ccc(/C=C(\c2nc(-c3ccc(O)cc3)no2)c2nc(C)cs2)cc1 ZINC000096298704 212153452 /nfs/dbraw/zinc/15/34/52/212153452.db2.gz QMHXNBXMELIGBQ-WOJGMQOQSA-N 0 0 391.452 4.805 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 ZINC000004586205 212147041 /nfs/dbraw/zinc/14/70/41/212147041.db2.gz VIEYULCHRBWYCJ-CYBMUJFWSA-N 0 0 378.380 4.537 50 0 biogenic GJAARN COc1ccc(-c2c(C)c3cc(OC(=O)C(C)(C)C)ccc3oc2=O)cc1OC ZINC000004340714 212145947 /nfs/dbraw/zinc/14/59/47/212145947.db2.gz BDIJRMLDCDPSPA-UHFFFAOYSA-N 0 0 396.439 4.737 50 0 GJAARN COC(=O)c1c(C)oc2ccc(OCc3ccc(Br)cc3)cc21 ZINC000000639363 212142150 /nfs/dbraw/zinc/14/21/50/212142150.db2.gz FLFNJLLWAHYKAB-UHFFFAOYSA-N 0 0 375.218 4.869 50 0 GJAARN CCSc1ccccc1C(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000253472811 212137791 /nfs/dbraw/zinc/13/77/91/212137791.db2.gz PLXZHDPVRHACOP-CYBMUJFWSA-N 0 0 385.514 4.540 50 0 GJAARN O=C(c1cc2ccccc2s1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000244975245 212132829 /nfs/dbraw/zinc/13/28/29/212132829.db2.gz IHSIKKQYENFDLB-ZDUSSCGKSA-N 0 0 381.482 4.643 50 0 GJAARN CC[C@H](C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000227631930 212115887 /nfs/dbraw/zinc/11/58/87/212115887.db2.gz RYEIPTWOUQBGAZ-HBMCJLEFSA-N 0 0 398.478 4.995 50 0 GJAARN Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(Br)c2)c(C)c1 ZINC000096137079 209131391 /nfs/dbraw/zinc/13/13/91/209131391.db2.gz LOPPQFPCLJXUSH-BQYQJAHWSA-N 0 0 380.307 4.787 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl ZINC000239275117 206280071 /nfs/dbraw/zinc/28/00/71/206280071.db2.gz BFBWEKPADQPKTF-HSKKSDQVSA-N 0 0 393.141 5.788 50 0 GJAARN Cc1ccc(C(C)C)c(OCCNC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000253407835 206283251 /nfs/dbraw/zinc/28/32/51/206283251.db2.gz KFOWEAWNCKHULV-UHFFFAOYSA-N 0 0 395.543 4.960 50 0 biogenic GJAARN O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253408284 206282735 /nfs/dbraw/zinc/28/27/35/206282735.db2.gz KOSIEDCADVRVOJ-GOSISDBHSA-N 0 0 384.387 4.607 50 0 biogenic GJAARN Clc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)cc1 ZINC000263616300 206289233 /nfs/dbraw/zinc/28/92/33/206289233.db2.gz HYZANZFTTLNMKX-KRWDZBQOSA-N 0 0 378.819 4.525 50 0 GJAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)CCCc3ccccc3)n2)cc1 ZINC000263616534 206289087 /nfs/dbraw/zinc/28/90/87/206289087.db2.gz JHCXPJKDJKCKIE-HXUWFJFHSA-N 0 0 375.472 4.731 50 0 GJAARN O=C(N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1)C1(c2ccccc2)CC1 ZINC000263619666 206290428 /nfs/dbraw/zinc/29/04/28/206290428.db2.gz ZXOQMCGGLKGWRE-GOSISDBHSA-N 0 0 393.874 4.785 50 0 GJAARN Cc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263618867 206289951 /nfs/dbraw/zinc/28/99/51/206289951.db2.gz VWWCGJNAMFECKG-IBGZPJMESA-N 0 0 392.846 4.833 50 0 GJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)C(C)(C)C)cc21 ZINC000000623948 206291127 /nfs/dbraw/zinc/29/11/27/206291127.db2.gz LAFOYCZSZOMNAX-UHFFFAOYSA-N 0 0 397.265 4.674 50 0 GJAARN CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 ZINC000000936598 206291155 /nfs/dbraw/zinc/29/11/55/206291155.db2.gz LJNDZDTVFGEIRP-LOSJGSFVSA-N 0 0 399.494 4.800 50 0 biogenic GJAARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21NCCc2c3ccccc3[nH]c21 ZINC000019890849 206295911 /nfs/dbraw/zinc/29/59/11/206295911.db2.gz HEHNRBQRNGNKME-HAWMADMCSA-N 0 0 399.538 4.752 50 0 biogenic GJAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)c1ccc(F)cc1 ZINC000006112330 206294597 /nfs/dbraw/zinc/29/45/97/206294597.db2.gz NKTZYZIGUIPBOE-UHFFFAOYSA-N 0 0 390.366 4.566 50 0 biogenic GJAARN Cc1nc(-c2ccc(NC(=O)/C=C\c3c(Cl)nc4sccn34)cc2)oc1C ZINC000096256182 206300031 /nfs/dbraw/zinc/30/00/31/206300031.db2.gz AUZZEPYOYSMKIJ-FPLPWBNLSA-N 0 0 398.875 4.973 50 0 GJAARN C[C@@H](OC(=O)/C=C\c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000096401143 206300570 /nfs/dbraw/zinc/30/05/70/206300570.db2.gz ROAONBIMZUFMDS-XMXAVACDSA-N 0 0 396.443 4.533 50 0 GJAARN O=C(NC1CCCCC1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009071454 206306939 /nfs/dbraw/zinc/30/69/39/206306939.db2.gz QSIKJSYYFXTNNI-UHFFFAOYSA-N 0 0 389.499 4.573 50 0 GJAARN O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000009135147 206307959 /nfs/dbraw/zinc/30/79/59/206307959.db2.gz YFRMXGMLRIOFLR-UHFFFAOYSA-N 0 0 394.814 4.716 50 0 GJAARN O=c1nc(N2CCCCC2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000000625237 206308364 /nfs/dbraw/zinc/30/83/64/206308364.db2.gz FPUZOQVIVBZWCO-UHFFFAOYSA-N 0 0 398.466 4.545 50 0 GJAARN CCCCN1C(=O)CCc2cc(NC(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000009136858 206308477 /nfs/dbraw/zinc/30/84/77/206308477.db2.gz ZPNOOTOBJYANAI-UHFFFAOYSA-N 0 0 386.879 4.680 50 0 GJAARN Fc1ccc(Cc2nn3c(nnc3-c3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000000632740 206309438 /nfs/dbraw/zinc/30/94/38/206309438.db2.gz OXSWSCRTROTXPG-UHFFFAOYSA-N 0 0 378.354 4.602 50 0 GJAARN CCCc1cc(-c2nn(C)cc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC ZINC000000630413 206309787 /nfs/dbraw/zinc/30/97/87/206309787.db2.gz LGBVLTZACKACLO-UHFFFAOYSA-N 0 0 394.471 4.582 50 0 biogenic GJAARN Brc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000000640104 206310867 /nfs/dbraw/zinc/31/08/67/206310867.db2.gz HGPVZVIPOXMTJD-UHFFFAOYSA-N 0 0 380.039 4.929 50 0 GJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)(C)C)cc3n2)cc1C ZINC000000650801 206311750 /nfs/dbraw/zinc/31/17/50/206311750.db2.gz WDUZLPNUJFOQDE-UHFFFAOYSA-N 0 0 390.409 4.560 50 0 GJAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@H](C)CCC3 ZINC000000642818 206312423 /nfs/dbraw/zinc/31/24/23/206312423.db2.gz BKCUNJWZPSZRJN-GFCCVEGCSA-N 0 0 396.541 4.647 50 0 GJAARN C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 ZINC000000671270 206315295 /nfs/dbraw/zinc/31/52/95/206315295.db2.gz RINFENOMBNPDPR-CQSZACIVSA-N 0 0 384.273 4.859 50 0 GJAARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000679595 206315912 /nfs/dbraw/zinc/31/59/12/206315912.db2.gz BRWAJDBGZFTAQH-UHFFFAOYSA-N 0 0 397.544 4.705 50 0 GJAARN c1coc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000000683323 206316155 /nfs/dbraw/zinc/31/61/55/206316155.db2.gz HFHPROZOMGSVJC-IBGZPJMESA-N 0 0 388.452 4.927 50 0 GJAARN O=C(Nc1cccnc1Cl)c1cc(Br)ccc1Br ZINC000000682469 206316558 /nfs/dbraw/zinc/31/65/58/206316558.db2.gz CABHUQHTNWWAKU-UHFFFAOYSA-N 0 0 390.462 4.512 50 0 GJAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1OC ZINC000000696065 206317376 /nfs/dbraw/zinc/31/73/76/206317376.db2.gz XIXBXNAGATWAFS-UHFFFAOYSA-N 0 0 398.462 4.849 50 0 GJAARN CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000000704424 206317460 /nfs/dbraw/zinc/31/74/60/206317460.db2.gz MCTDXPDDZLFJHR-XLRKYUMYSA-N 0 0 382.500 4.941 50 0 endogenous,in-man 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COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccnc3)C[C@H]21 ZINC000004715741 206546568 /nfs/dbraw/zinc/54/65/68/206546568.db2.gz IVVFVJUPPOZOKR-DENIHFKCSA-N 0 0 391.858 4.986 50 0 GJAARN CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ZINC000004794579 206554306 /nfs/dbraw/zinc/55/43/06/206554306.db2.gz XFCXFYZMWWZMQD-SFHVURJKSA-N 0 0 396.531 4.895 50 0 GJAARN O=C(Nc1cccc2c1COC2=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004783831 206554386 /nfs/dbraw/zinc/55/43/86/206554386.db2.gz MFNSHYVLUKKDDV-UHFFFAOYSA-N 0 0 380.403 4.825 50 0 GJAARN O=C(OCc1ccccc1Cl)c1ccc(-n2cc(Br)cn2)cc1 ZINC000004789132 206554480 /nfs/dbraw/zinc/55/44/80/206554480.db2.gz RBWROPPVAWACBU-UHFFFAOYSA-N 0 0 391.652 4.645 50 0 GJAARN O=C(CC(c1ccccc1)c1ccccc1)NCCOc1cccc2cccnc21 ZINC000004784644 206555421 /nfs/dbraw/zinc/55/54/21/206555421.db2.gz GPSXRGQCCTTYTH-UHFFFAOYSA-N 0 0 396.490 4.952 50 0 GJAARN Cc1ccccc1-n1c(/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O ZINC000004837253 206560269 /nfs/dbraw/zinc/56/02/69/206560269.db2.gz 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O=C(c1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019597043 207144548 /nfs/dbraw/zinc/14/45/48/207144548.db2.gz SNFJBJIFGXHDDT-UHFFFAOYSA-N 0 0 390.914 4.887 50 0 GJAARN N=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000019855179 207166794 /nfs/dbraw/zinc/16/67/94/207166794.db2.gz UELHJEHCGWATSW-UHFFFAOYSA-N 0 0 377.875 4.703 50 0 GJAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccccc2F)CO1 ZINC000019882469 207168707 /nfs/dbraw/zinc/16/87/07/207168707.db2.gz YVIAWYMNGDHEAQ-UHFFFAOYSA-N 0 0 387.838 4.543 50 0 GJAARN CSc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000019781934 207162040 /nfs/dbraw/zinc/16/20/40/207162040.db2.gz VQUVQFHJWMFVNQ-UHFFFAOYSA-N 0 0 380.479 4.745 50 0 GJAARN O=C(c1cccs1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccccc1 ZINC000020059954 207175994 /nfs/dbraw/zinc/17/59/94/207175994.db2.gz ZJAVLKPNJIFNIC-UHFFFAOYSA-N 0 0 394.887 4.961 50 0 GJAARN COc1ccc(-c2csc3[nH]c(CNc4cccc(C)c4)nc(=O)c23)cc1 ZINC000019926595 207169217 /nfs/dbraw/zinc/16/92/17/207169217.db2.gz 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ZINC000020603150 207205567 /nfs/dbraw/zinc/20/55/67/207205567.db2.gz GXGZJNNYSXQSJB-UHFFFAOYSA-N 0 0 381.430 4.743 50 0 GJAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12 ZINC000020602769 207205981 /nfs/dbraw/zinc/20/59/81/207205981.db2.gz WBKLTCDZUMIRDD-UHFFFAOYSA-N 0 0 387.821 4.780 50 0 GJAARN CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)cn1 ZINC000020604835 207206144 /nfs/dbraw/zinc/20/61/44/207206144.db2.gz KGTMTTOSVQQRBX-UHFFFAOYSA-N 0 0 389.356 4.770 50 0 GJAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(C)cc1)cc2C(F)F ZINC000020603185 207206173 /nfs/dbraw/zinc/20/61/73/207206173.db2.gz QZPNGSVDCZRSSM-UHFFFAOYSA-N 0 0 385.414 4.785 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccn(C)n3)cc(C(F)(F)F)c12 ZINC000020605762 207206271 /nfs/dbraw/zinc/20/62/71/207206271.db2.gz KQVNPJCQWMBCFZ-UHFFFAOYSA-N 0 0 385.393 4.516 50 0 GJAARN CCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000020606425 207206537 /nfs/dbraw/zinc/20/65/37/207206537.db2.gz ZQXVPTSRLKVSNJ-QFIPXVFZSA-N 0 0 395.478 4.773 50 0 GJAARN CCn1ncc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)c1C ZINC000020604248 207206541 /nfs/dbraw/zinc/20/65/41/207206541.db2.gz BKJDFFJMDLRMAE-UHFFFAOYSA-N 0 0 385.393 4.997 50 0 GJAARN O=C(NCc1ccco1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020616914 207207782 /nfs/dbraw/zinc/20/77/82/207207782.db2.gz IGSBFNJGCJWSKT-UHFFFAOYSA-N 0 0 391.374 4.629 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)C1=CCN(Cc2ccc(Cl)cc2)CC1 ZINC000020848040 207215238 /nfs/dbraw/zinc/21/52/38/207215238.db2.gz MQQGNNYJBWPKGM-UHFFFAOYSA-N 0 0 391.298 4.773 50 0 GJAARN CC(C)Oc1ccccc1-c1nc(SCC(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000020808002 207215643 /nfs/dbraw/zinc/21/56/43/207215643.db2.gz MXQUGXAXSYHAQJ-UHFFFAOYSA-N 0 0 387.892 4.887 50 0 GJAARN Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)SCC(=O)N2 ZINC000020898857 207217710 /nfs/dbraw/zinc/21/77/10/207217710.db2.gz CUSOACMAIMSXTM-LJQANCHMSA-N 0 0 399.903 4.725 50 0 GJAARN CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccccc1 ZINC000020904486 207219753 /nfs/dbraw/zinc/21/97/53/207219753.db2.gz HXEBZHNQDCSKLV-UHFFFAOYSA-N 0 0 398.462 4.666 50 0 GJAARN Cc1cccc(-c2cccc(-c3ccn([C@H](C)C(=O)Nc4nccs4)n3)c2)n1 ZINC000020707041 207210089 /nfs/dbraw/zinc/21/00/89/207210089.db2.gz WQMFFCBSXYLPLX-OAHLLOKOSA-N 0 0 389.484 4.577 50 0 GJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4cc(C)ccc4C)c(=O)n23)cc1 ZINC000020768039 207213094 /nfs/dbraw/zinc/21/30/94/207213094.db2.gz HXUZXTYVRVUVQH-UHFFFAOYSA-N 0 0 389.480 4.601 50 0 GJAARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)ccc3C)c2)o1 ZINC000021032487 207225069 /nfs/dbraw/zinc/22/50/69/207225069.db2.gz QOCVDKKRWMSCCU-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN COc1ccc(OC)c(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Cl)c2)c1 ZINC000021105613 207225547 /nfs/dbraw/zinc/22/55/47/207225547.db2.gz FPKGDUQDRLYKFN-HXUWFJFHSA-N 0 0 395.846 4.523 50 0 GJAARN COc1ccc(Cl)cc1Nc1c2[nH]cccc-2c(=O)n1-c1ccc(C)cc1 ZINC000021107897 207225602 /nfs/dbraw/zinc/22/56/02/207225602.db2.gz YHMNOEYARUYOFX-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1cc(C)cc(C)c1 ZINC000021100735 207226088 /nfs/dbraw/zinc/22/60/88/207226088.db2.gz BCWZONDBTZZTSY-UHFFFAOYSA-N 0 0 399.498 4.910 50 0 GJAARN CC(=O)N1N=C([C@@H](C)Sc2nc3ccccc3s2)O[C@H]1c1ccc(C)cc1 ZINC000021151724 207227001 /nfs/dbraw/zinc/22/70/01/207227001.db2.gz FIHZTVWBKPBVRJ-YJYMSZOUSA-N 0 0 397.525 4.976 50 0 GJAARN COc1ccc(-c2cc3nc(C)cc(N[C@@H](C)c4ccccc4)n3n2)cc1OC ZINC000021150328 207227350 /nfs/dbraw/zinc/22/73/50/207227350.db2.gz CGEKODPTIMJPDU-INIZCTEOSA-N 0 0 388.471 4.895 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000021177529 207228044 /nfs/dbraw/zinc/22/80/44/207228044.db2.gz LBAMUDSSRHOTRK-CQSZACIVSA-N 0 0 394.887 4.918 50 0 GJAARN CCN1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1 ZINC000021295296 207228695 /nfs/dbraw/zinc/22/86/95/207228695.db2.gz VUVNBAXJXHPVCH-UHFFFAOYSA-N 0 0 391.540 4.682 50 0 GJAARN Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)cc1 ZINC000021639811 207231906 /nfs/dbraw/zinc/23/19/06/207231906.db2.gz GFAMSQRAVVEKHN-UHFFFAOYSA-N 0 0 386.833 4.710 50 0 GJAARN COc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(Cl)c(F)c2)C3)c1 ZINC000021639409 207232052 /nfs/dbraw/zinc/23/20/52/207232052.db2.gz ULYUHGCWXKPZLE-UHFFFAOYSA-N 0 0 398.869 4.580 50 0 GJAARN CCCCOc1ccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000021785870 207235997 /nfs/dbraw/zinc/23/59/97/207235997.db2.gz UYBVURMHHWNZPQ-UHFFFAOYSA-N 0 0 396.512 4.928 50 0 GJAARN COc1ccc(-c2nc3ccccc3c3nnc(SCc4ccccn4)n32)cc1 ZINC000021727030 207236779 /nfs/dbraw/zinc/23/67/79/207236779.db2.gz QNGQIILXBPJFBD-UHFFFAOYSA-N 0 0 399.479 4.640 50 0 GJAARN COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000021788018 207237988 /nfs/dbraw/zinc/23/79/88/207237988.db2.gz ZCWSZHNJQQNGQZ-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)c3cccs3)cc2)cc(N2CCCCC2)n1 ZINC000021794373 207238525 /nfs/dbraw/zinc/23/85/25/207238525.db2.gz KTGUATOVZXZZNY-UHFFFAOYSA-N 0 0 393.516 4.833 50 0 GJAARN Clc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2N1CCOCC1 ZINC000021798124 207238598 /nfs/dbraw/zinc/23/85/98/207238598.db2.gz SVVDLSLRRIONAC-UHFFFAOYSA-N 0 0 390.874 4.578 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](c1ccccc1)SCC(=O)N2 ZINC000021788222 207238700 /nfs/dbraw/zinc/23/87/00/207238700.db2.gz OHFCZZXGCAMJDO-LJQANCHMSA-N 0 0 383.904 4.917 50 0 GJAARN Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NC[C@@H]2CCCO2)cc1 ZINC000021799445 207238703 /nfs/dbraw/zinc/23/87/03/207238703.db2.gz JDZDFJPKFNSFPE-HNNXBMFYSA-N 0 0 390.409 4.623 50 0 GJAARN COc1cccc(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C(C)C)c1 ZINC000021889827 207240310 /nfs/dbraw/zinc/24/03/10/207240310.db2.gz UIWYPSLEPDCXMS-HSZRJFAPSA-N 0 0 389.499 4.908 50 0 GJAARN C[C@H](NC(=O)CSc1ncnc2ccsc21)c1ccc2c(c1)CCCC2 ZINC000022005160 207245201 /nfs/dbraw/zinc/24/52/01/207245201.db2.gz HETZSUOIUPJKEO-ZDUSSCGKSA-N 0 0 383.542 4.540 50 0 GJAARN Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1 ZINC000022054724 207246357 /nfs/dbraw/zinc/24/63/57/207246357.db2.gz LMXUWARKUIELGT-UHFFFAOYSA-N 0 0 394.287 4.853 50 0 in-vitro GJAARN CC(=O)N1N=C(c2ccccn2)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941459 207243760 /nfs/dbraw/zinc/24/37/60/207243760.db2.gz ISKTVQUYEYEOCA-XMMPIXPASA-N 0 0 394.434 4.536 50 0 GJAARN CCOc1ccccc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934586 207244085 /nfs/dbraw/zinc/24/40/85/207244085.db2.gz HWHZXHJORNYGOT-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN Cc1noc(CSc2ccccc2C(=O)N[C@H]2CCSc3ccccc32)n1 ZINC000022523594 207255477 /nfs/dbraw/zinc/25/54/77/207255477.db2.gz NQBXBXXNXGNKBM-INIZCTEOSA-N 0 0 397.525 4.637 50 0 GJAARN CC[C@@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(Cl)c1 ZINC000022651044 207258007 /nfs/dbraw/zinc/25/80/07/207258007.db2.gz YDMXJDIAIQSRNM-SPLOXXLWSA-N 0 0 387.907 4.877 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)C1CCC1)CC2 ZINC000022652959 207258528 /nfs/dbraw/zinc/25/85/28/207258528.db2.gz XGOHFNHHWRYEQX-OAQYLSRUSA-N 0 0 385.891 4.631 50 0 GJAARN Cc1cccc(-c2cc(C(=O)N[C@H]3CCC[C@@H]3OCc3ccccc3)no2)c1 ZINC000022661337 207259323 /nfs/dbraw/zinc/25/93/23/207259323.db2.gz GOEVZOXTGGJOBY-FPOVZHCZSA-N 0 0 376.456 4.518 50 0 GJAARN Cc1ccccc1CC(=O)N[C@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1 ZINC000022673546 207259370 /nfs/dbraw/zinc/25/93/70/207259370.db2.gz LKOLQOGWCIZEQY-HNNXBMFYSA-N 0 0 387.310 4.999 50 0 GJAARN Cc1cccn2cc(COc3ccc(C(=O)N(C)Cc4ccsc4)cc3)nc12 ZINC000022694494 207260028 /nfs/dbraw/zinc/26/00/28/207260028.db2.gz LGHCTASGEJVXDR-UHFFFAOYSA-N 0 0 391.496 4.555 50 0 GJAARN CC(=O)Nc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1F ZINC000022867762 207262401 /nfs/dbraw/zinc/26/24/01/207262401.db2.gz LSZZZLDYKUNELO-UHFFFAOYSA-N 0 0 396.393 4.755 50 0 GJAARN O=C(NCCc1cccc(Cl)c1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000023321359 207273329 /nfs/dbraw/zinc/27/33/29/207273329.db2.gz LGUATMCFCNTPQO-UHFFFAOYSA-N 0 0 399.899 4.812 50 0 GJAARN O=C(c1ccccc1F)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023313448 207273785 /nfs/dbraw/zinc/27/37/85/207273785.db2.gz DLLOAIAXBMWWJN-QHCPKHFHSA-N 0 0 392.449 4.512 50 0 GJAARN CC[C@H](CNC(=O)c1ccc(SCc2nc(C)no2)cc1)c1ccccc1 ZINC000023007369 207267727 /nfs/dbraw/zinc/26/77/27/207267727.db2.gz MZEBGCPQJFQLDA-MRXNPFEDSA-N 0 0 381.501 4.594 50 0 GJAARN CCCCNC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023453218 207277785 /nfs/dbraw/zinc/27/77/85/207277785.db2.gz LSKMPNHESPCLNX-UHFFFAOYSA-N 0 0 390.512 4.738 50 0 GJAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024892094 207297764 /nfs/dbraw/zinc/29/77/64/207297764.db2.gz SZQLZWJCCKBPKY-UHFFFAOYSA-N 0 0 388.427 4.513 50 0 GJAARN COc1ccc(CCC2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000024988079 207299227 /nfs/dbraw/zinc/29/92/27/207299227.db2.gz TVCMINFFVAHHRJ-UHFFFAOYSA-N 0 0 386.923 4.632 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C3CC3)c3cnn(C(C)C)c3n2)cc1 ZINC000024715967 207294458 /nfs/dbraw/zinc/29/44/58/207294458.db2.gz VMRMQSVGVUGXSJ-INIZCTEOSA-N 0 0 376.504 4.858 50 0 GJAARN CC[C@H](Sc1nc2sc(C)c(C)c2c(N)n1)C(=O)Nc1ccc(F)cc1 ZINC000024774020 207295032 /nfs/dbraw/zinc/29/50/32/207295032.db2.gz SBNWSBJMTVTYGL-ZDUSSCGKSA-N 0 0 390.509 4.539 50 0 GJAARN Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)sc2nc(C3CC3)nc(C)c12 ZINC000024860207 207296276 /nfs/dbraw/zinc/29/62/76/207296276.db2.gz IBEWVHMGZFHQBG-UHFFFAOYSA-N 0 0 395.484 4.599 50 0 GJAARN FC(F)n1c2ccccc2nc1CSc1nncn1-c1cccc(Cl)c1 ZINC000025048365 207301069 /nfs/dbraw/zinc/30/10/69/207301069.db2.gz NBGLEAUSYQRAKM-UHFFFAOYSA-N 0 0 391.834 4.958 50 0 GJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000025326414 207302378 /nfs/dbraw/zinc/30/23/78/207302378.db2.gz LUYSJNNZAFEGGJ-UHFFFAOYSA-N 0 0 399.903 4.726 50 0 GJAARN COc1ccc(CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CC2)c(OC)c1 ZINC000025292002 207302565 /nfs/dbraw/zinc/30/25/65/207302565.db2.gz MIHWLISMTROOIZ-UHFFFAOYSA-N 0 0 380.271 4.815 50 0 GJAARN CCN(Cc1cccs1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000025288384 207302718 /nfs/dbraw/zinc/30/27/18/207302718.db2.gz STBDUIUZYCAFKI-UHFFFAOYSA-N 0 0 391.496 4.637 50 0 GJAARN 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CCCc1noc(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)n1 ZINC000012738699 221222767 /nfs/dbraw/zinc/22/27/67/221222767.db2.gz UXVKAMYTKSZZOJ-UHFFFAOYSA-N 0 0 395.488 4.523 50 0 GJAARN O=C(Cc1noc2ccccc12)Nc1nc2ccc(SC(F)F)cc2s1 ZINC000012747560 221223440 /nfs/dbraw/zinc/22/34/40/221223440.db2.gz WYRLJUMWKLQTBP-UHFFFAOYSA-N 0 0 391.424 4.933 50 0 GJAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)o2)cc1 ZINC000012801036 221233624 /nfs/dbraw/zinc/23/36/24/221233624.db2.gz YJSSBSGTPDOEMS-UHFFFAOYSA-N 0 0 389.436 4.920 50 0 GJAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000012749419 221224882 /nfs/dbraw/zinc/22/48/82/221224882.db2.gz WJKBXKSBKIQKMR-NRFANRHFSA-N 0 0 380.488 4.844 50 0 GJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1Oc1ccccc1 ZINC000012754628 221225737 /nfs/dbraw/zinc/22/57/37/221225737.db2.gz LAQQZUODOBWYRR-UHFFFAOYSA-N 0 0 386.451 4.787 50 0 GJAARN CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c(C)n1 ZINC000012754906 221225995 /nfs/dbraw/zinc/22/59/95/221225995.db2.gz 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GJAARN COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2ccc(C(F)(F)F)cc2)c1 ZINC000012934482 221248179 /nfs/dbraw/zinc/24/81/79/221248179.db2.gz UEYUBYCRCVGCBU-GFCCVEGCSA-N 0 0 399.434 4.983 50 0 GJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1F ZINC000012937436 221248721 /nfs/dbraw/zinc/24/87/21/221248721.db2.gz FVFAICGNQNFBOA-NRFANRHFSA-N 0 0 384.451 4.613 50 0 GJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CCCC1=O ZINC000012938283 221248886 /nfs/dbraw/zinc/24/88/86/221248886.db2.gz FKCDHJJLVBQMQH-LBPRGKRZSA-N 0 0 393.270 4.526 50 0 GJAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1c(F)cccc1F ZINC000012943697 221249196 /nfs/dbraw/zinc/24/91/96/221249196.db2.gz ORMBXXPPLPNOAF-OAQYLSRUSA-N 0 0 384.451 4.613 50 0 GJAARN CCCCc1ccc(-n2c(=O)c3cc(OC)c(OC)cc3nc2[C@@H]2C[C@@H]2C)cc1 ZINC000012950253 221249897 /nfs/dbraw/zinc/24/98/97/221249897.db2.gz XNAKTJWPYDUPDP-MAUKXSAKSA-N 0 0 392.499 4.869 50 0 GJAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000012952654 221250487 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CCOc1c(Br)cc(F)cc1NC(=O)/C=C/c1ccc(OC)cc1 ZINC000012912485 221245125 /nfs/dbraw/zinc/24/51/25/221245125.db2.gz ISBMVAFJUPRZKO-RMKNXTFCSA-N 0 0 394.240 4.647 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324946 221264922 /nfs/dbraw/zinc/26/49/22/221264922.db2.gz UFOWODVYJPANNO-UHFFFAOYSA-N 0 0 384.332 4.713 50 0 GJAARN CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 ZINC000013331650 221264983 /nfs/dbraw/zinc/26/49/83/221264983.db2.gz WZTWPORVJRGIJI-UHFFFAOYSA-N 0 0 378.476 4.899 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000013326149 221265379 /nfs/dbraw/zinc/26/53/79/221265379.db2.gz RVJGBJVBRFRHDI-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN Cc1nn(Cc2cccc(C)c2)c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013331652 221265848 /nfs/dbraw/zinc/26/58/48/221265848.db2.gz JBPKTEGZFLIXLZ-UHFFFAOYSA-N 0 0 392.547 4.947 50 0 GJAARN COc1ccc(OC)c(NC(=O)CSc2ccc(Br)cc2C)c1 ZINC000013007847 221256705 /nfs/dbraw/zinc/25/67/05/221256705.db2.gz CTSUUVGLILZDPH-UHFFFAOYSA-N 0 0 396.306 4.506 50 0 GJAARN COc1cc(/C=C/C(=O)Nc2cc(Cl)cc3cccnc32)cc(OC)c1OC ZINC000013021451 221258348 /nfs/dbraw/zinc/25/83/48/221258348.db2.gz MICKLPIHXHIHOZ-VOTSOKGWSA-N 0 0 398.846 4.566 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000013057027 221259690 /nfs/dbraw/zinc/25/96/90/221259690.db2.gz ULKQIIUEFBKMIJ-UHFFFAOYSA-N 0 0 398.450 4.805 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)c1 ZINC000013137793 221262588 /nfs/dbraw/zinc/26/25/88/221262588.db2.gz VXFAVKNIODTNOW-UHFFFAOYSA-N 0 0 388.562 4.689 50 0 GJAARN COc1ccc(CCn2c(=S)[nH]nc2-c2ccc(Cl)cc2)cc1OC ZINC000013497309 221270477 /nfs/dbraw/zinc/27/04/77/221270477.db2.gz HKEJDUFKIPARFO-UHFFFAOYSA-N 0 0 375.881 4.521 50 0 GJAARN O[C@H](c1nc2ccccc2n1CCOc1ccccc1Cl)c1ccccc1 ZINC000013540883 221271831 /nfs/dbraw/zinc/27/18/31/221271831.db2.gz JKKJTVYRJUBIKW-NRFANRHFSA-N 0 0 378.859 4.850 50 0 GJAARN Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013687958 221281138 /nfs/dbraw/zinc/28/11/38/221281138.db2.gz WVKLVMMSORPJCA-OAQYLSRUSA-N 0 0 390.874 4.641 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc2ccccc2c1 ZINC000013695459 221282327 /nfs/dbraw/zinc/28/23/27/221282327.db2.gz HAAPEMCUMPWAJC-UHFFFAOYSA-N 0 0 382.419 4.888 50 0 GJAARN COc1ccc(-c2nc(CC(=O)N[C@@H](C)CCCC(C)C)cs2)cc1OC ZINC000013726724 221285904 /nfs/dbraw/zinc/28/59/04/221285904.db2.gz KCCFMFIIPDWEMC-HNNXBMFYSA-N 0 0 390.549 4.701 50 0 GJAARN O=C(Oc1cccc2ccccc21)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000013846825 221292134 /nfs/dbraw/zinc/29/21/34/221292134.db2.gz MXRXDRZOWNMNPP-NHCUHLMSSA-N 0 0 399.446 4.739 50 0 GJAARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NCc1cccs1 ZINC000013897848 221293186 /nfs/dbraw/zinc/29/31/86/221293186.db2.gz JJTBOUWQZIXTRW-UHFFFAOYSA-N 0 0 390.508 4.976 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2Cl)cc1NC(=O)c1ccccc1 ZINC000013956496 221294885 /nfs/dbraw/zinc/29/48/85/221294885.db2.gz CFXASTCYCVSGFO-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN CCCCN1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O ZINC000014095513 221299070 /nfs/dbraw/zinc/29/90/70/221299070.db2.gz NWJJMCMQQSDQHN-FQEVSTJZSA-N 0 0 375.516 4.817 50 0 GJAARN CC(=O)c1cccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000014182836 221302442 /nfs/dbraw/zinc/30/24/42/221302442.db2.gz IJPAPFPRIYIHMA-UHFFFAOYSA-N 0 0 387.479 4.540 50 0 GJAARN O=C(C1C[C@H]2CC[C@@H](C1)C21SCCS1)N1CC=C(c2ccccc2)CC1 ZINC000014201538 221304400 /nfs/dbraw/zinc/30/44/00/221304400.db2.gz RTIHUVJGBHDDSK-IHWFROFDSA-N 0 0 385.598 4.915 50 0 GJAARN Cc1cc(C(=O)COc2cccc(Br)c2)c(C)n1-c1nccs1 ZINC000014215920 221304947 /nfs/dbraw/zinc/30/49/47/221304947.db2.gz XPOOLWWEDGFSDE-UHFFFAOYSA-N 0 0 391.290 4.575 50 0 GJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@H]2c2cccs2)cc1 ZINC000014461726 221310770 /nfs/dbraw/zinc/31/07/70/221310770.db2.gz HWNCVEKYSJCUMN-QAPCUYQASA-N 0 0 397.525 4.636 50 0 GJAARN COc1cc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)ccc1F ZINC000014971115 221321509 /nfs/dbraw/zinc/32/15/09/221321509.db2.gz LWUVPOHWNQYWDM-KRWDZBQOSA-N 0 0 387.480 4.981 50 0 GJAARN Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1cn(C2CCCCCC2)nn1 ZINC000014965606 221322157 /nfs/dbraw/zinc/32/21/57/221322157.db2.gz LXDLBCXUBVFBTC-UHFFFAOYSA-N 0 0 399.926 4.589 50 0 GJAARN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000014845967 221317643 /nfs/dbraw/zinc/31/76/43/221317643.db2.gz PKXUKXJMRXOOSD-HXUWFJFHSA-N 0 0 397.434 4.657 50 0 GJAARN O=C(Nc1cccc2cccnc21)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014857181 221317973 /nfs/dbraw/zinc/31/79/73/221317973.db2.gz HPJJXPQAGSELKW-UHFFFAOYSA-N 0 0 386.430 4.691 50 0 GJAARN COCCN(C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1)C(C)C ZINC000014948053 221319259 /nfs/dbraw/zinc/31/92/59/221319259.db2.gz LXVLNPDNWBEXEQ-UHFFFAOYSA-N 0 0 386.879 4.569 50 0 GJAARN O=C(Nc1ccc2c(c1)COc1ccccc1O2)C(=O)c1c[nH]c2ccccc12 ZINC000015108551 221332397 /nfs/dbraw/zinc/33/23/97/221332397.db2.gz BHALWUUWDWWYHB-UHFFFAOYSA-N 0 0 384.391 4.674 50 0 GJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2)n1 ZINC000015320752 221335049 /nfs/dbraw/zinc/33/50/49/221335049.db2.gz XJDDIDXIFCDWNJ-UHFFFAOYSA-N 0 0 380.498 4.926 50 0 GJAARN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N1CCCc2ccccc21 ZINC000015349992 221335217 /nfs/dbraw/zinc/33/52/17/221335217.db2.gz AFVOCWHADXMDEG-KBPBESRZSA-N 0 0 379.529 4.623 50 0 GJAARN Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2=O)cc1 ZINC000015413161 221336025 /nfs/dbraw/zinc/33/60/25/221336025.db2.gz KXSGABQNATYWOT-QFIPXVFZSA-N 0 0 390.870 4.770 50 0 GJAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000015669134 221337280 /nfs/dbraw/zinc/33/72/80/221337280.db2.gz XARRUDYTNJDRLY-UHFFFAOYSA-N 0 0 379.508 4.518 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000015538648 221336488 /nfs/dbraw/zinc/33/64/88/221336488.db2.gz CTIAIRCUEXDHOZ-KRWDZBQOSA-N 0 0 380.271 4.745 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000015538649 221336490 /nfs/dbraw/zinc/33/64/90/221336490.db2.gz CTIAIRCUEXDHOZ-QGZVFWFLSA-N 0 0 380.271 4.745 50 0 GJAARN Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC000014996264 221325417 /nfs/dbraw/zinc/32/54/17/221325417.db2.gz GEVNNBAZGUVRKN-KRWDZBQOSA-N 0 0 395.503 4.601 50 0 GJAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1O ZINC000015010808 221325757 /nfs/dbraw/zinc/32/57/57/221325757.db2.gz IDZQPZOWCQJEEF-YBEGLDIGSA-N 0 0 389.860 4.681 50 0 GJAARN COc1cccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c1OC ZINC000015011257 221325801 /nfs/dbraw/zinc/32/58/01/221325801.db2.gz UNTDHJFRCRWERT-GDNBJRDFSA-N 0 0 375.833 4.598 50 0 GJAARN Cc1ccc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 ZINC000015068307 221328907 /nfs/dbraw/zinc/32/89/07/221328907.db2.gz CYCZYDSXTWKZGE-QFIPXVFZSA-N 0 0 387.483 4.785 50 0 GJAARN CN(C(=O)COc1ccc(F)cc1)[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000015670857 221339396 /nfs/dbraw/zinc/33/93/96/221339396.db2.gz SBVIQLKIJUMPBB-DEOSSOPVSA-N 0 0 388.442 4.934 50 0 GJAARN O=C(c1ccc(-n2c(-c3ccccc3)nc3cccnc32)cc1)N1CCCCC1 ZINC000015681987 221340035 /nfs/dbraw/zinc/34/00/35/221340035.db2.gz CTYQLKYFOHBAGK-UHFFFAOYSA-N 0 0 382.467 4.714 50 0 GJAARN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(C)cc1Cl ZINC000015727545 221341254 /nfs/dbraw/zinc/34/12/54/221341254.db2.gz ZPCWSYXTZQKIAF-UHFFFAOYSA-N 0 0 384.867 4.736 50 0 GJAARN Cc1ccc(NC(=O)c2noc3c2CCc2sccc2-3)c(Br)c1 ZINC000015733158 221342575 /nfs/dbraw/zinc/34/25/75/221342575.db2.gz VSDDJIWIPDIJNH-UHFFFAOYSA-N 0 0 389.274 4.825 50 0 GJAARN CC[C@@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccc(C)cc2)n1 ZINC000015832581 221347041 /nfs/dbraw/zinc/34/70/41/221347041.db2.gz OLZDCTSYYNUROI-GOSISDBHSA-N 0 0 384.476 4.731 50 0 GJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5C)c4ncn3n2)cc1 ZINC000015842327 221348107 /nfs/dbraw/zinc/34/81/07/221348107.db2.gz GTXFUBFADSOUCQ-UHFFFAOYSA-N 0 0 397.482 4.977 50 0 GJAARN CCOc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000015863633 221349757 /nfs/dbraw/zinc/34/97/57/221349757.db2.gz VYAPWSXDFJFQBU-UHFFFAOYSA-N 0 0 385.467 4.999 50 0 GJAARN COc1cccc(CC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1 ZINC000015863688 221350476 /nfs/dbraw/zinc/35/04/76/221350476.db2.gz QLKBTFKQPIKZBP-UHFFFAOYSA-N 0 0 399.494 4.548 50 0 GJAARN CCc1ccc(Cl)c(CC)c1NC(=O)CCn1cnc2c(C)cccc2c1=O ZINC000016468026 221363880 /nfs/dbraw/zinc/36/38/80/221363880.db2.gz YKNNJRYAMBDCIW-UHFFFAOYSA-N 0 0 397.906 4.512 50 0 GJAARN CCN(CC)C(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000016000919 221355400 /nfs/dbraw/zinc/35/54/00/221355400.db2.gz AOHUUWWKUCVUJQ-UHFFFAOYSA-N 0 0 390.483 4.585 50 0 GJAARN O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1cccc2ccccc21 ZINC000017191514 221380772 /nfs/dbraw/zinc/38/07/72/221380772.db2.gz KTXWHIHPFUVOMA-UHFFFAOYSA-N 0 0 385.492 4.739 50 0 GJAARN Cc1ccc(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)cc1 ZINC000017161366 221380972 /nfs/dbraw/zinc/38/09/72/221380972.db2.gz DOBCZUQBBDVADJ-UHFFFAOYSA-N 0 0 389.278 4.920 50 0 GJAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(OCc2cscn2)c1 ZINC000016708013 221369319 /nfs/dbraw/zinc/36/93/19/221369319.db2.gz JIKRYYLDPZHMFR-UHFFFAOYSA-N 0 0 379.485 4.575 50 0 GJAARN CNC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc2c1CCCC2 ZINC000016750868 221370567 /nfs/dbraw/zinc/37/05/67/221370567.db2.gz JGZPCBXFMBHKMM-UHFFFAOYSA-N 0 0 396.512 4.531 50 0 GJAARN CCc1ccc(-n2nnc(C(=O)OCc3cccc(C(F)(F)F)c3)c2C)cc1 ZINC000016841506 221372117 /nfs/dbraw/zinc/37/21/17/221372117.db2.gz GTDDLLMZFNKWCQ-UHFFFAOYSA-N 0 0 389.377 4.514 50 0 GJAARN O=C(Nc1nnc(CSCc2ccccc2F)s1)Nc1ccccc1F ZINC000016956373 221374685 /nfs/dbraw/zinc/37/46/85/221374685.db2.gz GXQCMKWSBQSUHZ-UHFFFAOYSA-N 0 0 392.456 4.894 50 0 GJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1 ZINC000017051593 221376259 /nfs/dbraw/zinc/37/62/59/221376259.db2.gz MZLLZJRCQWMMIT-UHFFFAOYSA-N 0 0 392.459 4.575 50 0 GJAARN COc1cccc(N2CCN(C(=S)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000017080961 221378642 /nfs/dbraw/zinc/37/86/42/221378642.db2.gz YNNFHIUCGRJSHR-UHFFFAOYSA-N 0 0 396.343 4.521 50 0 GJAARN CCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000018128304 221387277 /nfs/dbraw/zinc/38/72/77/221387277.db2.gz RBIAJAHXHOYAEX-OKILXGFUSA-N 0 0 392.956 4.500 50 0 GJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3)n2)cc1 ZINC000018192207 221388432 /nfs/dbraw/zinc/38/84/32/221388432.db2.gz DAIVSPUZWFJYIC-UHFFFAOYSA-N 0 0 385.423 4.876 50 0 GJAARN O=C(COc1ccccc1Cc1ccccc1)OCc1cc(-c2ccco2)on1 ZINC000018277119 221391002 /nfs/dbraw/zinc/39/10/02/221391002.db2.gz PULFSEUDPRIXNZ-UHFFFAOYSA-N 0 0 389.407 4.648 50 0 GJAARN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 ZINC000018227745 221391630 /nfs/dbraw/zinc/39/16/30/221391630.db2.gz WKEIUSUGCVYODT-CALCHBBNSA-N 0 0 392.474 4.801 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2)c1ccccc1Cl ZINC000019819186 221456068 /nfs/dbraw/zinc/45/60/68/221456068.db2.gz ALDISVOVZOHCLM-UHFFFAOYSA-N 0 0 391.858 4.580 50 0 GJAARN CC(=O)N1N=C(c2cccc(Br)c2)O[C@H]1c1cccc2ccccc21 ZINC000020946039 221521862 /nfs/dbraw/zinc/52/18/62/221521862.db2.gz FXJKXMNBDNDLBY-FQEVSTJZSA-N 0 0 395.256 4.841 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)Nc3ccc(C)c(Cl)c3)c(C)o2)cc1 ZINC000021020572 221524991 /nfs/dbraw/zinc/52/49/91/221524991.db2.gz ULHLOISNPRINOL-UHFFFAOYSA-N 0 0 385.851 4.942 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018922 221525228 /nfs/dbraw/zinc/52/52/28/221525228.db2.gz XFHTVSJDTHWFIA-HXUWFJFHSA-N 0 0 394.833 4.689 50 0 GJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(C)cc2Cl)cc1 ZINC000021106921 221526406 /nfs/dbraw/zinc/52/64/06/221526406.db2.gz NITROKICQUXUCL-NRFANRHFSA-N 0 0 393.874 4.819 50 0 GJAARN COc1ccccc1-c1csc2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000021157728 221527632 /nfs/dbraw/zinc/52/76/32/221527632.db2.gz UNAYFCMSARKKDF-CQSZACIVSA-N 0 0 379.437 4.627 50 0 GJAARN O=C(CCC(=O)c1cccs1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000021141083 221528155 /nfs/dbraw/zinc/52/81/55/221528155.db2.gz IQNNBYZVAOBBNL-UHFFFAOYSA-N 0 0 384.482 4.664 50 0 GJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccccc2Cl)cc1 ZINC000020892156 221515700 /nfs/dbraw/zinc/51/57/00/221515700.db2.gz YYXUJBRTSISNSI-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccs2)cc1 ZINC000020910455 221517604 /nfs/dbraw/zinc/51/76/04/221517604.db2.gz WPEFKUAGZCWKLA-UHFFFAOYSA-N 0 0 389.480 4.539 50 0 GJAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046078949 132426393 /nfs/dbraw/zinc/42/63/93/132426393.db2.gz IDTYAXFXSIDGKB-UHFFFAOYSA-N 0 0 388.442 4.979 50 0 GJAARN CC(=O)c1ccc(N2CCN(Cc3cc4ccc(C)cc4nc3Cl)CC2)cc1 ZINC000058135250 136154449 /nfs/dbraw/zinc/15/44/49/136154449.db2.gz WWZUVAVTSSRZRX-UHFFFAOYSA-N 0 0 393.918 4.721 50 0 GJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCCC3)[C@@H]2c2cccs2)cc1 ZINC000058402600 136155370 /nfs/dbraw/zinc/15/53/70/136155370.db2.gz QMOYPUUJNDIFIK-DENIHFKCSA-N 0 0 396.556 4.943 50 0 GJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000064663357 136157348 /nfs/dbraw/zinc/15/73/48/136157348.db2.gz LMFZZHGKOVAILQ-FQEVSTJZSA-N 0 0 376.431 4.622 50 0 GJAARN Cc1ccc(CN2CCN(C(=O)Nc3ccccc3F)c3cccnc32)cc1 ZINC000064929625 136158234 /nfs/dbraw/zinc/15/82/34/136158234.db2.gz CTQDIYCRJQCSIT-UHFFFAOYSA-N 0 0 376.435 4.588 50 0 GJAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NC4CCCCCC4)C3)nc2)cc1 ZINC000065023285 136158616 /nfs/dbraw/zinc/15/86/16/136158616.db2.gz XXZMEUHFULGGQU-FQEVSTJZSA-N 0 0 392.547 4.507 50 0 GJAARN Cc1cccc(-c2cnc(N3CCC(C(=O)NC4CCCCCC4)CC3)nc2)c1 ZINC000065023772 136158786 /nfs/dbraw/zinc/15/87/86/136158786.db2.gz RDXKSQJAUMJADY-UHFFFAOYSA-N 0 0 392.547 4.507 50 0 GJAARN O=C(c1ccc(COc2ccccc2F)o1)N1CCCc2c(F)cc(F)cc21 ZINC000065504126 136163995 /nfs/dbraw/zinc/16/39/95/136163995.db2.gz CERHKOVDASVQFQ-UHFFFAOYSA-N 0 0 387.357 4.869 50 0 GJAARN CC[C@@H]1CCCCN1c1cc(SCC(=O)Nc2cccc(C)c2C)ncn1 ZINC000067255870 136164512 /nfs/dbraw/zinc/16/45/12/136164512.db2.gz GZTXJLVLNDTGED-QGZVFWFLSA-N 0 0 384.549 4.593 50 0 GJAARN Cc1ccc(C)c(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)c1 ZINC000067285470 136164636 /nfs/dbraw/zinc/16/46/36/136164636.db2.gz KNMBBSXPHNMOCR-UHFFFAOYSA-N 0 0 397.526 4.648 50 0 GJAARN CN1c2ccc(NC(=O)N3CCCC[C@@H]3CCc3ccccc3)cc2CCC1=O ZINC000095467114 136179333 /nfs/dbraw/zinc/17/93/33/136179333.db2.gz UWIGEVRBHKFTTI-OAQYLSRUSA-N 0 0 391.515 4.615 50 0 GJAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(C(F)(F)F)c1)CO3 ZINC000002125714 136193484 /nfs/dbraw/zinc/19/34/84/136193484.db2.gz JSSMGRYHQWQJFR-UHFFFAOYSA-N 0 0 375.346 4.785 50 0 biogenic GJAARN O=C(/C=C/c1ccccc1Cl)OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000003300489 136193510 /nfs/dbraw/zinc/19/35/10/136193510.db2.gz PAILVEKFDBJTND-MDWZMJQESA-N 0 0 398.890 4.525 50 0 GJAARN CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000006609292 136195069 /nfs/dbraw/zinc/19/50/69/136195069.db2.gz ONJSEZXOUHUISC-UHFFFAOYSA-N 0 0 381.398 4.807 50 0 GJAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000006249986 136195070 /nfs/dbraw/zinc/19/50/70/136195070.db2.gz FVROWEOGHMFIEG-UHFFFAOYSA-N 0 0 377.410 4.746 50 0 GJAARN C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 ZINC000007187535 136195177 /nfs/dbraw/zinc/19/51/77/136195177.db2.gz LKUZGQXVNRZILW-CQSZACIVSA-N 0 0 395.355 4.823 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ncccc3C)C2=O)cc1C ZINC000012546838 136200445 /nfs/dbraw/zinc/20/04/45/136200445.db2.gz QUHMFFHBFHQAKE-KGENOOAVSA-N 0 0 383.451 4.647 50 0 GJAARN CCC(=O)N1CCCc2ccc(NC(=O)NCc3cccc4ccccc43)cc21 ZINC000022502933 136203983 /nfs/dbraw/zinc/20/39/83/136203983.db2.gz OMHDPESJRJOXMN-UHFFFAOYSA-N 0 0 387.483 4.851 50 0 GJAARN Cc1nn(C)cc1-c1cccc(C(=O)N2CCC3(CCc4ccccc43)CC2)c1 ZINC000299770969 209086834 /nfs/dbraw/zinc/08/68/34/209086834.db2.gz ORXYRTDYUQOGIH-UHFFFAOYSA-N 0 0 385.511 4.516 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccsc1)SCC(=O)N2 ZINC000021788053 221541754 /nfs/dbraw/zinc/54/17/54/221541754.db2.gz FTLZTZSIBQUZMA-MRXNPFEDSA-N 0 0 375.906 4.670 50 0 GJAARN COc1cccc(NC(=O)CSc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000021881851 221545133 /nfs/dbraw/zinc/54/51/33/221545133.db2.gz HECXNUONEZTUFC-UHFFFAOYSA-N 0 0 383.473 4.599 50 0 GJAARN O=C(OCc1ccccc1)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC000022050594 221550753 /nfs/dbraw/zinc/55/07/53/221550753.db2.gz LWZWKAWTHAMCLH-QHCPKHFHSA-N 0 0 377.459 4.770 50 0 in-vitro GJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000022257561 221556470 /nfs/dbraw/zinc/55/64/70/221556470.db2.gz PPBHOYLIHDWXRA-MRXNPFEDSA-N 0 0 391.540 4.949 50 0 GJAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ccc2ccccc2n1 ZINC000022702633 221568391 /nfs/dbraw/zinc/56/83/91/221568391.db2.gz AYGPBKICHOEBRQ-UHFFFAOYSA-N 0 0 388.439 4.587 50 0 GJAARN COc1ccc(-c2onc(C)c2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000023306265 221590824 /nfs/dbraw/zinc/59/08/24/221590824.db2.gz LLNAVYOUBASKQE-UHFFFAOYSA-N 0 0 390.483 4.754 50 0 GJAARN CSCCNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023428333 221597035 /nfs/dbraw/zinc/59/70/35/221597035.db2.gz OCXNFAXQVDFXMZ-UHFFFAOYSA-N 0 0 387.508 4.990 50 0 GJAARN O=C1N[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)Nc2ccccc21 ZINC000023622817 221601684 /nfs/dbraw/zinc/60/16/84/221601684.db2.gz WFDZXDCOKLVITH-HXUWFJFHSA-N 0 0 382.822 4.912 50 0 GJAARN COc1ccc(CN(C(=O)CSCc2nc3ccccc3s2)C2CC2)cc1 ZINC000023925569 221606083 /nfs/dbraw/zinc/60/60/83/221606083.db2.gz YVBOWPSDJZWEJF-UHFFFAOYSA-N 0 0 398.553 4.729 50 0 GJAARN Cn1ccnc1-c1sc(NC(=O)Cc2cccc(F)c2)nc1-c1ccccc1 ZINC000024842946 221619482 /nfs/dbraw/zinc/61/94/82/221619482.db2.gz KXASOHVWLHWVMW-UHFFFAOYSA-N 0 0 392.459 4.531 50 0 GJAARN O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)c1c[nH]c2ccccc21 ZINC000024908692 221621453 /nfs/dbraw/zinc/62/14/53/221621453.db2.gz QIAQQGWOXMSCIN-UHFFFAOYSA-N 0 0 393.370 4.519 50 0 GJAARN CCn1nc(C(=O)Nc2ccccc2SC2CCCC2)c2ccccc2c1=O ZINC000025265178 221628496 /nfs/dbraw/zinc/62/84/96/221628496.db2.gz HRQKWBMVDSSBOF-UHFFFAOYSA-N 0 0 393.512 4.703 50 0 GJAARN Cc1nc(C)c(-c2nnc(SCc3c(F)c(F)c(F)c(F)c3F)o2)s1 ZINC000025459317 221630894 /nfs/dbraw/zinc/63/08/94/221630894.db2.gz FVWFCRKKIADJGS-UHFFFAOYSA-N 0 0 393.362 4.798 50 0 GJAARN COc1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000027572769 221654901 /nfs/dbraw/zinc/65/49/01/221654901.db2.gz GNAVSQJTUPWDPG-PXLXIMEGSA-N 0 0 384.435 4.644 50 0 GJAARN O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)N1CCCCCC1 ZINC000027694324 221658423 /nfs/dbraw/zinc/65/84/23/221658423.db2.gz NKMLISZWBRWNRO-UHFFFAOYSA-N 0 0 381.907 4.683 50 0 GJAARN CCc1sc(NC(=O)c2ccco2)nc1-c1ccc(Br)cc1 ZINC000027757235 221659880 /nfs/dbraw/zinc/65/98/80/221659880.db2.gz WXCQUDIIYBQMLS-UHFFFAOYSA-N 0 0 377.263 4.980 50 0 GJAARN CC(C)C(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000028293972 221674898 /nfs/dbraw/zinc/67/48/98/221674898.db2.gz BCNXVPGZEYUASC-LLVKDONJSA-N 0 0 377.621 4.586 50 0 GJAARN C[C@H](SCc1cccc2cccnc21)c1nc(N)nc(Nc2ccccc2)n1 ZINC000029678752 221695632 /nfs/dbraw/zinc/69/56/32/221695632.db2.gz UCKMTSRKBZRPRO-AWEZNQCLSA-N 0 0 388.500 4.740 50 0 GJAARN Cc1cc(SC[C@H]2CSc3nnc(-c4cccnc4)n32)nc2ccccc12 ZINC000030533809 221700870 /nfs/dbraw/zinc/70/08/70/221700870.db2.gz PNUKPMWSZSNMMB-HNNXBMFYSA-N 0 0 391.525 4.636 50 0 GJAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000032891579 221744131 /nfs/dbraw/zinc/74/41/31/221744131.db2.gz MVKGMXMQUUYZHC-UHFFFAOYSA-N 0 0 389.286 4.521 50 0 GJAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)CCc2cccc(Cl)c2Cl)c1 ZINC000032924539 221751669 /nfs/dbraw/zinc/75/16/69/221751669.db2.gz USRWMQQSJKSNJD-GFCCVEGCSA-N 0 0 379.287 4.762 50 0 GJAARN CC(=O)Nc1cccc([C@H](C)NC(=O)CCc2cccc(Cl)c2Cl)c1 ZINC000032924541 221752333 /nfs/dbraw/zinc/75/23/33/221752333.db2.gz USRWMQQSJKSNJD-LBPRGKRZSA-N 0 0 379.287 4.762 50 0 GJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)N(C)c3ccccc3)n2)cc1 ZINC000033012940 221764768 /nfs/dbraw/zinc/76/47/68/221764768.db2.gz JJVDVEWENATRRD-UHFFFAOYSA-N 0 0 399.450 4.901 50 0 GJAARN Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Br)cc2F)s1 ZINC000033049109 221767773 /nfs/dbraw/zinc/76/77/73/221767773.db2.gz XDHTUEQXXIOBEL-UHFFFAOYSA-N 0 0 381.226 4.865 50 0 GJAARN COc1cccc(Oc2ccc(-c3ccc(C(=O)NC4CCCC4)cc3)nn2)c1 ZINC000033130901 221774471 /nfs/dbraw/zinc/77/44/71/221774471.db2.gz KFUNVBPQGSMAPZ-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN Cc1nc(-c2cccc(-c3noc(C(=O)NCCC4=CCCCC4)n3)c2)cs1 ZINC000033283676 221782689 /nfs/dbraw/zinc/78/26/89/221782689.db2.gz RXGWSWQZNPDACI-UHFFFAOYSA-N 0 0 394.500 4.789 50 0 GJAARN COc1cccc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 ZINC000033278943 221782992 /nfs/dbraw/zinc/78/29/92/221782992.db2.gz SRPWPJGLZGPMPI-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN CC(C)CNC(=O)c1ccccc1Sc1nccnc1Oc1ccccc1 ZINC000033289248 221785253 /nfs/dbraw/zinc/78/52/53/221785253.db2.gz ZFRAKFUKPOLOIR-UHFFFAOYSA-N 0 0 379.485 4.806 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(F)cc1 ZINC000033312637 221786514 /nfs/dbraw/zinc/78/65/14/221786514.db2.gz YUJWQRDEYFRQJU-LBPRGKRZSA-N 0 0 384.480 4.627 50 0 GJAARN C[C@@H](NC(=O)c1ccc(-c2nccnc2N2CCCCC2)cc1)c1ccccc1 ZINC000033313112 221787377 /nfs/dbraw/zinc/78/73/77/221787377.db2.gz ISTFBTWOSIKLNI-GOSISDBHSA-N 0 0 386.499 4.625 50 0 GJAARN CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 ZINC000035598132 221829289 /nfs/dbraw/zinc/82/92/89/221829289.db2.gz MFUJNUBNNTUDGR-UHFFFAOYSA-N 0 0 399.458 4.612 50 0 GJAARN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2cccc(Cl)c2)no1)c1ccco1 ZINC000035845280 221833980 /nfs/dbraw/zinc/83/39/80/221833980.db2.gz FIPMRSUIIVUDMP-KRWDZBQOSA-N 0 0 393.830 4.697 50 0 GJAARN CC[C@H](C)N(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)C1CC1 ZINC000036106726 221843247 /nfs/dbraw/zinc/84/32/47/221843247.db2.gz CVTDDWVPBFBSHX-ZDUSSCGKSA-N 0 0 378.925 4.913 50 0 GJAARN COc1cccc(-c2cc(C(=O)Nc3cccc(C)c3)c3c(C)nn(C)c3n2)c1 ZINC000036615862 221861582 /nfs/dbraw/zinc/86/15/82/221861582.db2.gz LTFJVEKDLJYVJD-UHFFFAOYSA-N 0 0 386.455 4.513 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000036697782 221863771 /nfs/dbraw/zinc/86/37/71/221863771.db2.gz FZJDNGPPENGUGH-XMSQKQJNSA-N 0 0 384.479 4.884 50 0 GJAARN COc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(OC)c1 ZINC000040069883 221901562 /nfs/dbraw/zinc/90/15/62/221901562.db2.gz CKJGGYBPJDEZDM-UHFFFAOYSA-N 0 0 379.378 4.527 50 0 GJAARN COc1ccc(C2=CCN(C(=O)c3ccc(F)cc3Br)CC2)cc1 ZINC000040122419 221909146 /nfs/dbraw/zinc/90/91/46/221909146.db2.gz UIQAKPAFRCNODA-UHFFFAOYSA-N 0 0 390.252 4.526 50 0 GJAARN COc1ccccc1NC(=O)Cn1c(Cc2ccccc2C)nc2ccccc21 ZINC000040301313 221919472 /nfs/dbraw/zinc/91/94/72/221919472.db2.gz RPHUDGIRAXRKPU-UHFFFAOYSA-N 0 0 385.467 4.583 50 0 GJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC ZINC000044859709 221955299 /nfs/dbraw/zinc/95/52/99/221955299.db2.gz NILVFPRZURDMRP-OALUTQOASA-N 0 0 378.476 4.565 50 0 GJAARN O=C1c2ccccc2N[C@H](c2cccc(C(F)(F)F)c2)N1Cc1cccnc1 ZINC000057771014 222036422 /nfs/dbraw/zinc/03/64/22/222036422.db2.gz IAXMIZJNOAJLEB-IBGZPJMESA-N 0 0 383.373 4.867 50 0 GJAARN O=C(N(Cc1ccco1)c1ccc(F)cc1F)N1CCC[C@@H]1c1ccncc1 ZINC000056675604 222027179 /nfs/dbraw/zinc/02/71/79/222027179.db2.gz LAYLWGJSIARBBP-LJQANCHMSA-N 0 0 383.398 4.917 50 0 GJAARN O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000057412115 222031187 /nfs/dbraw/zinc/03/11/87/222031187.db2.gz SUHBSOVXZQOCHD-UHFFFAOYSA-N 0 0 394.631 4.884 50 0 GJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000057486830 222033415 /nfs/dbraw/zinc/03/34/15/222033415.db2.gz CYZPGTIMXJQGPW-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN CCN(C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000057486799 222033654 /nfs/dbraw/zinc/03/36/54/222033654.db2.gz MTCUBKLGBLMKIW-UHFFFAOYSA-N 0 0 386.455 4.567 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 ZINC000049031087 221996165 /nfs/dbraw/zinc/99/61/65/221996165.db2.gz JFYZWIOMSCGNBW-UHFFFAOYSA-N 0 0 393.830 4.706 50 0 GJAARN O=C(/C=C\c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000050647384 222005218 /nfs/dbraw/zinc/00/52/18/222005218.db2.gz PUGMVCYYFIHKLO-DVESRUBUSA-N 0 0 396.288 4.702 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364533 222006231 /nfs/dbraw/zinc/00/62/31/222006231.db2.gz UXJGFFFMCMCKEK-HNNXBMFYSA-N 0 0 382.822 4.638 50 0 GJAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccnc1Nc1cccc(F)c1 ZINC000053395841 222009971 /nfs/dbraw/zinc/00/99/71/222009971.db2.gz KRUDKXXBUFJTCE-CQSZACIVSA-N 0 0 383.854 4.979 50 0 GJAARN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055253229 222018442 /nfs/dbraw/zinc/01/84/42/222018442.db2.gz SQHQGXUBNHZFHN-LJQANCHMSA-N 0 0 391.540 4.917 50 0 GJAARN CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1Cl)C3 ZINC000055396254 222022612 /nfs/dbraw/zinc/02/26/12/222022612.db2.gz IPVQZCDCXFVHOL-UHFFFAOYSA-N 0 0 383.875 4.978 50 0 GJAARN O=C(NCc1ccccc1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989513 222093579 /nfs/dbraw/zinc/09/35/79/222093579.db2.gz JCINYMSAGZXMLO-UHFFFAOYSA-N 0 0 386.499 4.818 50 0 GJAARN Cc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)c1 ZINC000064990868 222093818 /nfs/dbraw/zinc/09/38/18/222093818.db2.gz AIQHNMJFGYCFJU-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCCc2ccc(Cl)cc2)n1 ZINC000065010172 222095357 /nfs/dbraw/zinc/09/53/57/222095357.db2.gz KTXUXZBTNDWUMQ-UHFFFAOYSA-N 0 0 395.846 4.726 50 0 GJAARN CC(=O)Nc1ccc(Cc2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc1 ZINC000065032253 222096189 /nfs/dbraw/zinc/09/61/89/222096189.db2.gz YCVPLUPNZJWRLS-UHFFFAOYSA-N 0 0 390.468 4.718 50 0 GJAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063011 222097638 /nfs/dbraw/zinc/09/76/38/222097638.db2.gz QJDHWHOHYCNIPX-UHFFFAOYSA-N 0 0 379.416 4.534 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000065085248 222099263 /nfs/dbraw/zinc/09/92/63/222099263.db2.gz KHXVNWZOHXPYJF-UHFFFAOYSA-N 0 0 385.510 4.758 50 0 GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000065084793 222099335 /nfs/dbraw/zinc/09/93/35/222099335.db2.gz GJTPMKIIRGVLHO-UHFFFAOYSA-N 0 0 384.838 4.767 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065084917 222099412 /nfs/dbraw/zinc/09/94/12/222099412.db2.gz MSXKLDIMFSOLBE-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)c2csc(-c3ccc(C)n3C)n2)c1 ZINC000065095675 222101010 /nfs/dbraw/zinc/10/10/10/222101010.db2.gz SUVWZOBOFBKSEZ-UHFFFAOYSA-N 0 0 385.489 4.507 50 0 GJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1F ZINC000065114703 222101624 /nfs/dbraw/zinc/10/16/24/222101624.db2.gz KWZHRONQJVIGEF-UHFFFAOYSA-N 0 0 386.858 4.956 50 0 GJAARN Cc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)c1 ZINC000065129478 222101659 /nfs/dbraw/zinc/10/16/59/222101659.db2.gz PMRKQEDWSLYQPW-UHFFFAOYSA-N 0 0 386.455 4.555 50 0 GJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 ZINC000065133853 222102274 /nfs/dbraw/zinc/10/22/74/222102274.db2.gz OETKIDHHKZTBBL-UHFFFAOYSA-N 0 0 381.863 4.740 50 0 GJAARN COc1ccc(NC(=O)N2CCc3cn(CC(C)C)c4cccc(c34)C2)cc1 ZINC000065149033 222103939 /nfs/dbraw/zinc/10/39/39/222103939.db2.gz FNNJTYMRWONZQG-UHFFFAOYSA-N 0 0 377.488 4.896 50 0 GJAARN Cc1cc(Cl)ccc1OCc1nc(-c2cccc(-c3ccnn3C)c2)no1 ZINC000065137273 222104170 /nfs/dbraw/zinc/10/41/70/222104170.db2.gz OBDURIDFQILAGZ-UHFFFAOYSA-N 0 0 380.835 4.678 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165077 222104938 /nfs/dbraw/zinc/10/49/38/222104938.db2.gz UVWKWSBOMAPBHK-UHFFFAOYSA-N 0 0 384.892 4.711 50 0 GJAARN CCCn1c(-c2cccc(C(=O)NC3CCCCCC3)c2)nc2cccnc21 ZINC000065172808 222105686 /nfs/dbraw/zinc/10/56/86/222105686.db2.gz MSHHQWHZMCBHFC-UHFFFAOYSA-N 0 0 376.504 4.961 50 0 GJAARN COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2OC)cc1 ZINC000058008083 222038329 /nfs/dbraw/zinc/03/83/29/222038329.db2.gz LJHOFUWSUOVLOG-UHFFFAOYSA-N 0 0 376.456 4.938 50 0 GJAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1Br ZINC000058160862 222042523 /nfs/dbraw/zinc/04/25/23/222042523.db2.gz PZFHGNAOOMNMQQ-UHFFFAOYSA-N 0 0 395.300 4.767 50 0 GJAARN O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000058370034 222051010 /nfs/dbraw/zinc/05/10/10/222051010.db2.gz SZEIOCWXKSYDSB-UHFFFAOYSA-N 0 0 378.303 4.699 50 0 GJAARN CC1=NN(c2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2)CC1 ZINC000058419143 222052245 /nfs/dbraw/zinc/05/22/45/222052245.db2.gz RXFIDKLRLJTCNH-UHFFFAOYSA-N 0 0 376.504 4.905 50 0 GJAARN CCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1 ZINC000058440721 222054775 /nfs/dbraw/zinc/05/47/75/222054775.db2.gz KRYLFXNIFZEOOT-UHFFFAOYSA-N 0 0 381.520 4.657 50 0 GJAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 ZINC000059109437 222056268 /nfs/dbraw/zinc/05/62/68/222056268.db2.gz LHEMEBUBWUVZRS-UHFFFAOYSA-N 0 0 394.780 4.987 50 0 GJAARN Cc1ccc(C)n1-c1c(C(=O)Nc2nc(-c3ccccc3C)cs2)cnn1C ZINC000060033498 222057634 /nfs/dbraw/zinc/05/76/34/222057634.db2.gz DLIZDYOPNQSMET-UHFFFAOYSA-N 0 0 391.500 4.512 50 0 GJAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)nc1Cl ZINC000060245757 222059379 /nfs/dbraw/zinc/05/93/79/222059379.db2.gz TTXXOKFKQUQENO-UHFFFAOYSA-N 0 0 378.181 4.726 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3cccs3)no2)cc1 ZINC000061997306 222064592 /nfs/dbraw/zinc/06/45/92/222064592.db2.gz SYGLHVZEVZDIEJ-SFHVURJKSA-N 0 0 389.480 4.820 50 0 GJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(Cl)ccc1OC ZINC000064438941 222070590 /nfs/dbraw/zinc/07/05/90/222070590.db2.gz FWSMCMJVYZZJSJ-UHFFFAOYSA-N 0 0 385.851 4.560 50 0 GJAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3C(=O)c3cccs3)c2)no1 ZINC000064330101 222070963 /nfs/dbraw/zinc/07/09/63/222070963.db2.gz XNLBXNFOWFSNLX-UHFFFAOYSA-N 0 0 389.436 4.590 50 0 GJAARN CCc1ccccc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc21 ZINC000064471743 222071808 /nfs/dbraw/zinc/07/18/08/222071808.db2.gz JZFFAVVTQOWSOW-UHFFFAOYSA-N 0 0 377.513 4.730 50 0 GJAARN CCc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000064567883 222075637 /nfs/dbraw/zinc/07/56/37/222075637.db2.gz IHGHVRCXQTXAMC-UHFFFAOYSA-N 0 0 375.497 4.888 50 0 GJAARN Cc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064656706 222075947 /nfs/dbraw/zinc/07/59/47/222075947.db2.gz BZEWWHPPEJXVES-QGZVFWFLSA-N 0 0 397.521 4.672 50 0 GJAARN CC[C@H]1Cn2c(C(=O)NCCc3ccc(SC)cc3)cc3cccc(c32)O1 ZINC000064657952 222076650 /nfs/dbraw/zinc/07/66/50/222076650.db2.gz PVXAGOVYROAKTL-KRWDZBQOSA-N 0 0 380.513 4.507 50 0 GJAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064656515 222077019 /nfs/dbraw/zinc/07/70/19/222077019.db2.gz WNJIYCBACYVTLQ-QGZVFWFLSA-N 0 0 397.521 4.672 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)C3CCCCC3)CC1)N2 ZINC000064659562 222077083 /nfs/dbraw/zinc/07/70/83/222077083.db2.gz LCAIPONTVRVLQG-UHFFFAOYSA-N 0 0 377.532 4.918 50 0 biogenic GJAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)cc1 ZINC000064747696 222080849 /nfs/dbraw/zinc/08/08/49/222080849.db2.gz XRHRAXQPGRGAFH-QGZVFWFLSA-N 0 0 384.386 4.692 50 0 GJAARN Cc1oc(-c2ccc(C)cc2)nc1CNS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000064817845 222083778 /nfs/dbraw/zinc/08/37/78/222083778.db2.gz SXJJYTWZNICYLA-UHFFFAOYSA-N 0 0 384.501 4.560 50 0 GJAARN Cc1nc2cc(-c3noc(/C=C/c4ccco4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890526 222086447 /nfs/dbraw/zinc/08/64/47/222086447.db2.gz YEDHGEBXMJSUAN-PKNBQFBNSA-N 0 0 388.427 4.633 50 0 GJAARN O=C(CCc1ccccc1)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000064887971 222086463 /nfs/dbraw/zinc/08/64/63/222086463.db2.gz CSYLAIQBTUTGHH-UHFFFAOYSA-N 0 0 397.522 4.571 50 0 GJAARN COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccccc3Cl)cs2)c1N ZINC000064948767 222089355 /nfs/dbraw/zinc/08/93/55/222089355.db2.gz KXENGYCOQABSGG-UHFFFAOYSA-N 0 0 397.891 4.610 50 0 GJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3F)c(C)c2)on1 ZINC000064979689 222091882 /nfs/dbraw/zinc/09/18/82/222091882.db2.gz VFTRPIUXEBHKAL-UHFFFAOYSA-N 0 0 380.828 4.552 50 0 GJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000064983905 222091940 /nfs/dbraw/zinc/09/19/40/222091940.db2.gz SUAKAMKKGIFMIX-OAQYLSRUSA-N 0 0 387.545 4.926 50 0 GJAARN COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1C ZINC000065320917 222123166 /nfs/dbraw/zinc/12/31/66/222123166.db2.gz XXPVQRKLJVSJHX-UHFFFAOYSA-N 0 0 386.249 4.539 50 0 GJAARN Cc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)n1 ZINC000065320630 222123289 /nfs/dbraw/zinc/12/32/89/222123289.db2.gz HYCCKGQWXQDRCZ-QGZVFWFLSA-N 0 0 384.386 4.692 50 0 GJAARN C[C@@H](c1cnn(C)c1)n1cnc(-c2ccccc2)c1-c1c[nH]c2cc(=O)ccc-2c1 ZINC000065375599 222126262 /nfs/dbraw/zinc/12/62/62/222126262.db2.gz JNTSWYRHEJWBDH-INIZCTEOSA-N 0 0 395.466 4.814 50 0 GJAARN CCN(Cc1cnn(CC)c1)C(=O)[C@](C)(Nc1ccc(C)cc1)c1ccccc1 ZINC000065383037 222126745 /nfs/dbraw/zinc/12/67/45/222126745.db2.gz JHZGMUZCWUPLSX-XMMPIXPASA-N 0 0 390.531 4.587 50 0 GJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)C3CCC3)cc2)no1 ZINC000065376284 222127162 /nfs/dbraw/zinc/12/71/62/222127162.db2.gz LMEOQCGGTKPIMH-IBGZPJMESA-N 0 0 381.476 4.514 50 0 GJAARN Cc1c(NCc2cccnc2)cccc1-c1nc(C(C)C)nn1-c1ccccn1 ZINC000065409325 222128359 /nfs/dbraw/zinc/12/83/59/222128359.db2.gz MGQWOQPYNPKYRY-UHFFFAOYSA-N 0 0 384.487 4.768 50 0 GJAARN c1coc(-c2c(-c3ccccc3)ncn2Cc2csc(-c3ncccn3)n2)c1 ZINC000065461774 222130283 /nfs/dbraw/zinc/13/02/83/222130283.db2.gz CXUKATXPIFTASP-UHFFFAOYSA-N 0 0 385.452 4.772 50 0 GJAARN COc1ccccc1NC(=O)CCn1cnc(-c2ccccc2)c1-c1ccco1 ZINC000065508262 222133745 /nfs/dbraw/zinc/13/37/45/222133745.db2.gz TXMXXZMCSJJWQH-UHFFFAOYSA-N 0 0 387.439 4.848 50 0 GJAARN CC(=O)N[C@@H]1C[C@H](c2cc(F)cc(F)c2)O[C@H](c2cnc3ccccc3c2)C1 ZINC000065525898 222134044 /nfs/dbraw/zinc/13/40/44/222134044.db2.gz PJWLOFJMZBAKMZ-FCEUIQTBSA-N 0 0 382.410 4.611 50 0 GJAARN CCN(C(=O)CSc1cc(C)nc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000067257551 222141974 /nfs/dbraw/zinc/14/19/74/222141974.db2.gz UDDSLCWAAWBXFI-UHFFFAOYSA-N 0 0 393.512 4.606 50 0 GJAARN C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCOCC)cc1 ZINC000067259159 222142045 /nfs/dbraw/zinc/14/20/45/222142045.db2.gz BWSAXVBCDGWWJN-UHFFFAOYSA-N 0 0 380.513 4.758 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1cccs1 ZINC000067259519 222142519 /nfs/dbraw/zinc/14/25/19/222142519.db2.gz ZUYAWBHKKQDCOK-UHFFFAOYSA-N 0 0 382.485 4.938 50 0 GJAARN Cc1cccc(N(C)C(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c1 ZINC000067257465 222142805 /nfs/dbraw/zinc/14/28/05/222142805.db2.gz PXKJEUQAKXCCIY-UHFFFAOYSA-N 0 0 381.476 4.655 50 0 GJAARN CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1 ZINC000067295391 222143192 /nfs/dbraw/zinc/14/31/92/222143192.db2.gz OZCNXBSHKPEBTJ-BZZOAKBMSA-N 0 0 388.423 4.587 50 0 GJAARN Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1F ZINC000067295531 222143438 /nfs/dbraw/zinc/14/34/38/222143438.db2.gz JAKWBDZLMWAUBO-LVWGJNHUSA-N 0 0 376.387 4.636 50 0 GJAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3C)oc21 ZINC000067295593 222144372 /nfs/dbraw/zinc/14/43/72/222144372.db2.gz PTUHKUDQJAPPMJ-LCUIJRPUSA-N 0 0 399.450 4.938 50 0 GJAARN COc1cccc(C)c1C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067459630 222145983 /nfs/dbraw/zinc/14/59/83/222145983.db2.gz APEUHJASDYCHHI-QGZVFWFLSA-N 0 0 380.271 4.524 50 0 GJAARN CCc1cc([C@H](C)n2cnc(-c3ccccc3)c2-c2nc(CC)[nH]c2C)on1 ZINC000067472820 222146449 /nfs/dbraw/zinc/14/64/49/222146449.db2.gz ZWTMPCBMQMWFDA-HNNXBMFYSA-N 0 0 375.476 4.971 50 0 GJAARN O=C(c1ccc[nH]1)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067587359 222150055 /nfs/dbraw/zinc/15/00/55/222150055.db2.gz QENVVUJEASJUIK-UHFFFAOYSA-N 0 0 390.464 4.637 50 0 GJAARN C[C@H](O)c1cccc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 ZINC000067773849 222159874 /nfs/dbraw/zinc/15/98/74/222159874.db2.gz UUQDDXMOZJURHG-AWEZNQCLSA-N 0 0 396.874 4.560 50 0 GJAARN CCCc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ccn1 ZINC000067840469 222160999 /nfs/dbraw/zinc/16/09/99/222160999.db2.gz UJYWZBJRRFPCPN-SFHVURJKSA-N 0 0 379.287 4.555 50 0 GJAARN C[C@H](c1cccs1)N(C)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000067872367 222166114 /nfs/dbraw/zinc/16/61/14/222166114.db2.gz UJLSNNNLLDGUPE-CQSZACIVSA-N 0 0 393.468 4.697 50 0 GJAARN O=C(c1cccc(O)c1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067973768 222168798 /nfs/dbraw/zinc/16/87/98/222168798.db2.gz IQMHUKBIEDTQPK-UHFFFAOYSA-N 0 0 395.462 4.648 50 0 GJAARN COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000068805164 222173587 /nfs/dbraw/zinc/17/35/87/222173587.db2.gz YKVHNZZEMUXPKW-JOCHJYFZSA-N 0 0 389.499 4.534 50 0 GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000071115864 222178575 /nfs/dbraw/zinc/17/85/75/222178575.db2.gz WGQUHSBYVWCFCM-HNNXBMFYSA-N 0 0 381.451 4.886 50 0 GJAARN CCCn1nccc1C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071738441 222188234 /nfs/dbraw/zinc/18/82/34/222188234.db2.gz XLGXWTBYKUSXHK-KRWDZBQOSA-N 0 0 393.453 4.797 50 0 GJAARN C[C@@H]1Cc2ccccc2N1C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000071912502 222199641 /nfs/dbraw/zinc/19/96/41/222199641.db2.gz UJNSFDIOLVDSLK-OAHLLOKOSA-N 0 0 377.419 4.674 50 0 GJAARN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)s1 ZINC000072277164 222218962 /nfs/dbraw/zinc/21/89/62/222218962.db2.gz ONCNXNQDKIKQTR-ZWKOTPCHSA-N 0 0 382.529 4.895 50 0 GJAARN Cn1ccc2c1cccc2NC(=O)Cn1ccc2c1cccc2Br ZINC000072324659 222227447 /nfs/dbraw/zinc/22/74/47/222227447.db2.gz ISFXYHAJJXVBPO-UHFFFAOYSA-N 0 0 382.261 4.534 50 0 biogenic GJAARN CSc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000072328595 222228785 /nfs/dbraw/zinc/22/87/85/222228785.db2.gz MYUROCHFGNMXBT-UHFFFAOYSA-N 0 0 375.494 4.573 50 0 GJAARN CCOc1cccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000072333550 222230347 /nfs/dbraw/zinc/23/03/47/222230347.db2.gz XAPBKMHYWGYDPN-UHFFFAOYSA-N 0 0 380.517 4.719 50 0 GJAARN CCCCOc1ccccc1-c1cc(C(=O)N[C@@H]2CCc3ccccc32)[nH]n1 ZINC000072331606 222230872 /nfs/dbraw/zinc/23/08/72/222230872.db2.gz FNALCNOTSBORCF-LJQANCHMSA-N 0 0 375.472 4.673 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc3c(c2)OCCO3)S1 ZINC000085412255 222323438 /nfs/dbraw/zinc/32/34/38/222323438.db2.gz KVCKTHSCGFZRQT-LJQANCHMSA-N 0 0 399.516 4.729 50 0 GJAARN Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(C)c(C)c4)c(C)n3n2)cc1 ZINC000086069612 222327120 /nfs/dbraw/zinc/32/71/20/222327120.db2.gz KFANPXCFCFSQHD-UHFFFAOYSA-N 0 0 399.498 4.515 50 0 GJAARN Cc1cccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(C)cc4C)c(C)n3n2)c1 ZINC000086069888 222327303 /nfs/dbraw/zinc/32/73/03/222327303.db2.gz PKERAFJAZPIQDT-UHFFFAOYSA-N 0 0 399.498 4.515 50 0 GJAARN Cc1ccc(-c2nc(S(=O)(=O)N3CCCCC3)c(-c3ccccc3)s2)cc1 ZINC000094992809 222329637 /nfs/dbraw/zinc/32/96/37/222329637.db2.gz NLLAABRWLNCHFJ-UHFFFAOYSA-N 0 0 398.553 4.960 50 0 GJAARN CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000095482324 222332790 /nfs/dbraw/zinc/33/27/90/222332790.db2.gz GLPAYSIXPOOLBW-AWEZNQCLSA-N 0 0 399.878 4.597 50 0 GJAARN COc1ccc2c(C)c(C(=O)N3CCC(c4nccn4C(C)C)CC3)oc2c1 ZINC000095508699 222340385 /nfs/dbraw/zinc/34/03/85/222340385.db2.gz WVJAMXZVRKKSIJ-UHFFFAOYSA-N 0 0 381.476 4.547 50 0 GJAARN CC(C)(C)NC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000095511806 222341869 /nfs/dbraw/zinc/34/18/69/222341869.db2.gz WDGYMKFCUUXOGP-CQSZACIVSA-N 0 0 399.457 4.644 50 0 GJAARN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC000075104785 222270660 /nfs/dbraw/zinc/27/06/60/222270660.db2.gz JTPDSGPDGZPFFF-KDOFPFPSSA-N 0 0 377.916 4.522 50 0 GJAARN CSc1ccccc1C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077200185 222276686 /nfs/dbraw/zinc/27/66/86/222276686.db2.gz VGCPBKZPNDOCFH-IAGOWNOFSA-N 0 0 384.501 4.698 50 0 GJAARN Cc1ccccc1SC1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 ZINC000077437972 222281037 /nfs/dbraw/zinc/28/10/37/222281037.db2.gz UHIDZYGZQXTKND-UHFFFAOYSA-N 0 0 377.513 4.782 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccncc2)C12CCCCC2 ZINC000079464261 222304612 /nfs/dbraw/zinc/30/46/12/222304612.db2.gz XJZMFYHIRLPWPM-UTKZUKDTSA-N 0 0 391.515 4.761 50 0 GJAARN CN(C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1 ZINC000082087271 222308850 /nfs/dbraw/zinc/30/88/50/222308850.db2.gz FYHFKMHISZLFKD-UHFFFAOYSA-N 0 0 396.896 4.520 50 0 GJAARN CC(=O)NCC[C@H]1CCCCN1C(=O)Nc1cccc(-c2cccc(C)c2)c1 ZINC000095519634 222346416 /nfs/dbraw/zinc/34/64/16/222346416.db2.gz AHJQUKUPWLEKNY-JOCHJYFZSA-N 0 0 379.504 4.575 50 0 GJAARN CC(=O)c1sc(NC(=O)c2cnc([C@H]3CCCO3)s2)nc1-c1ccccc1 ZINC000095976489 222366692 /nfs/dbraw/zinc/36/66/92/222366692.db2.gz GWXHSODIKRYWOY-CYBMUJFWSA-N 0 0 399.497 4.573 50 0 GJAARN CC(C)c1sc(NC(=O)c2cn(C)nc2C(F)(F)F)nc1-c1ccccc1 ZINC000095973288 222366896 /nfs/dbraw/zinc/36/68/96/222366896.db2.gz IYHQYRKPQWVRFQ-UHFFFAOYSA-N 0 0 394.422 4.938 50 0 GJAARN COc1ccc(-c2nc(NC(=O)c3cccnc3C(F)(F)F)sc2C)cc1 ZINC000095979434 222367241 /nfs/dbraw/zinc/36/72/41/222367241.db2.gz HSLVGZQCIGDXKE-UHFFFAOYSA-N 0 0 393.390 4.793 50 0 GJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)/C=C/c1ccccc1 ZINC000096096015 222378683 /nfs/dbraw/zinc/37/86/83/222378683.db2.gz BJWJABHDYQCZFH-LBKOFNPBSA-N 0 0 389.499 4.928 50 0 GJAARN CC(=O)Nc1ccc(C(=O)COc2ccc3occ(-c4ccco4)c3c2)cc1 ZINC000096116556 222383269 /nfs/dbraw/zinc/38/32/69/222383269.db2.gz PCWORVSBTRIEMM-UHFFFAOYSA-N 0 0 375.380 4.913 50 0 biogenic GJAARN COc1ccc2cc(C(=O)N(CCc3cccs3)Cc3ccoc3)[nH]c2c1 ZINC000096120664 222384260 /nfs/dbraw/zinc/38/42/60/222384260.db2.gz XDFBMMZEXVFSJD-UHFFFAOYSA-N 0 0 380.469 4.716 50 0 GJAARN COc1cc(OC)c(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1Cl ZINC000096137033 222386044 /nfs/dbraw/zinc/38/60/44/222386044.db2.gz UDUJVPSZWNRLBK-VOTSOKGWSA-N 0 0 395.908 4.695 50 0 GJAARN COc1cc(/C=C\C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(F)F ZINC000096569834 222422135 /nfs/dbraw/zinc/42/21/35/222422135.db2.gz PUMJBTJZMUXFDV-CLFYSBASSA-N 0 0 387.304 4.967 50 0 GJAARN CSc1cccc(CN(C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000096162391 222393473 /nfs/dbraw/zinc/39/34/73/222393473.db2.gz SWSGQLMMUXXFKQ-IBGZPJMESA-N 0 0 386.517 4.630 50 0 GJAARN COc1ccc(-c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc1OC ZINC000096194179 222396262 /nfs/dbraw/zinc/39/62/62/222396262.db2.gz NKBRJNVNDVJPRC-UHFFFAOYSA-N 0 0 392.440 4.592 50 0 GJAARN CCCCn1c(C(=O)NCC(C)C)cc2cc(NC(=O)c3ccco3)ccc21 ZINC000096277015 222407670 /nfs/dbraw/zinc/40/76/70/222407670.db2.gz ZMQJEILMSVRVAU-UHFFFAOYSA-N 0 0 381.476 4.673 50 0 GJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)nc1)NCc1ccco1 ZINC000096290558 222408613 /nfs/dbraw/zinc/40/86/13/222408613.db2.gz CLHUCJMHEIXNCJ-QGZVFWFLSA-N 0 0 379.847 4.648 50 0 GJAARN Cc1cccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)c1 ZINC000096323946 222413038 /nfs/dbraw/zinc/41/30/38/222413038.db2.gz CSWDORALPRZVOL-UHFFFAOYSA-N 0 0 385.389 4.709 50 0 GJAARN CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344042 222414462 /nfs/dbraw/zinc/41/44/62/222414462.db2.gz HSEOODXAAGTYPH-NRFANRHFSA-N 0 0 382.548 4.644 50 0 GJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(C)s4)cc3)oc2C)c1 ZINC000096397257 222418640 /nfs/dbraw/zinc/41/86/40/222418640.db2.gz DEHWXEANJPUBNG-UHFFFAOYSA-N 0 0 392.484 4.825 50 0 GJAARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000102703605 222483515 /nfs/dbraw/zinc/48/35/15/222483515.db2.gz IZLCXQURFXKYCG-SPLOXXLWSA-N 0 0 392.409 4.930 50 0 GJAARN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000170608666 222556694 /nfs/dbraw/zinc/55/66/94/222556694.db2.gz NLZCKYOAYUCHRA-HXUWFJFHSA-N 0 0 392.455 4.514 50 0 GJAARN Cc1sc2[nH]c([C@H](C)Nc3ccc(OC4CCC4)c(F)c3)nc(=O)c2c1C ZINC000170651608 222561650 /nfs/dbraw/zinc/56/16/50/222561650.db2.gz XRSFOHRVTZHOGN-NSHDSACASA-N 0 0 387.480 4.845 50 0 GJAARN Cc1ccc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)cc1 ZINC000033262504 534232233 /nfs/dbraw/zinc/23/22/33/534232233.db2.gz XWUJKKPDJKQITB-UHFFFAOYSA-N 0 0 378.432 4.933 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c1 ZINC000008185326 519741653 /nfs/dbraw/zinc/74/16/53/519741653.db2.gz RXNCGSTUYXBKRH-UHFFFAOYSA-N 0 0 393.512 4.996 50 0 GJAARN CCOc1cc(C(=O)Nc2cccc3cccnc32)ccc1OCc1ccncc1 ZINC000024752545 520670786 /nfs/dbraw/zinc/67/07/86/520670786.db2.gz CETMWFDWLXJAJM-UHFFFAOYSA-N 0 0 399.450 4.860 50 0 GJAARN O=C(Cc1ccc2n[nH]cc2c1)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000241371327 534707493 /nfs/dbraw/zinc/70/74/93/534707493.db2.gz MMRBGGTUCIVPJQ-UHFFFAOYSA-N 0 0 398.491 4.945 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000239433568 523880246 /nfs/dbraw/zinc/88/02/46/523880246.db2.gz XZVSITAWEJANLD-GGAORHGYSA-N 0 0 390.870 5.591 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)Cc3ccc(Cl)cc3Cl)o2)cs1 ZINC000014228930 534857933 /nfs/dbraw/zinc/85/79/33/534857933.db2.gz SQCJPJGJMOIQKN-UHFFFAOYSA-N 0 0 381.284 4.877 50 0 GJAARN Cc1ccc(SCCNC(=O)Cc2csc(-c3ccsc3)n2)cc1C ZINC000024751787 525657865 /nfs/dbraw/zinc/65/78/65/525657865.db2.gz NMJQVXMFMKEQDF-UHFFFAOYSA-N 0 0 388.583 4.939 50 0 GJAARN C[C@H](SCc1nnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000248625388 525984020 /nfs/dbraw/zinc/98/40/20/525984020.db2.gz PETRTMUPNFJLGM-IJEWVQPXSA-N 0 0 375.563 4.522 50 0 GJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000241926465 526080534 /nfs/dbraw/zinc/08/05/34/526080534.db2.gz UGJMFPVCGIOHIQ-PUZWTLIVSA-N 0 0 398.506 5.262 50 0 GJAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000023153493 526708980 /nfs/dbraw/zinc/70/89/80/526708980.db2.gz DFXOFXXOCZILOK-FQEVSTJZSA-N 0 0 386.451 4.609 50 0 GJAARN O=C(CN1CCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000752212 526734299 /nfs/dbraw/zinc/73/42/99/526734299.db2.gz ZBXWGZZDONHXLU-UHFFFAOYSA-N 0 0 378.419 4.931 50 0 GJAARN CCCC1(CNC(=O)c2coc(COc3ccc4sc(C)nc4c3)n2)CCC1 ZINC000091724399 528060474 /nfs/dbraw/zinc/06/04/74/528060474.db2.gz CVGOFMROJKEWFC-UHFFFAOYSA-N 0 0 399.516 4.872 50 0 GJAARN CCCCc1nc(C)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000072402171 529037714 /nfs/dbraw/zinc/03/77/14/529037714.db2.gz HAZBNIIOYNCYGY-UHFFFAOYSA-N 0 0 392.952 4.571 50 0 GJAARN CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 ZINC000010899807 535411589 /nfs/dbraw/zinc/41/15/89/535411589.db2.gz LRNUBHKVDXHGJL-UHFFFAOYSA-N 0 0 395.503 4.518 50 0 GJAARN Nc1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 ZINC000006392445 570478522 /nfs/dbraw/zinc/47/85/22/570478522.db2.gz GMCCAQCUFDMXGL-HTQZYQBOSA-N 0 0 385.889 4.785 50 0 GJAARN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 ZINC000000967735 560180043 /nfs/dbraw/zinc/18/00/43/560180043.db2.gz TVLSRXXIMLFWEO-UHFFFAOYSA-N 0 0 376.671 4.602 50 0 in-vitro GJAARN COc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c(OC)c1 ZINC000000656364 570214679 /nfs/dbraw/zinc/21/46/79/570214679.db2.gz LTZUAMXDYJLCTH-UHFFFAOYSA-N 0 0 385.423 4.566 50 0 GJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)NCc1ccoc1 ZINC000047842375 570215811 /nfs/dbraw/zinc/21/58/11/570215811.db2.gz JOFGYNFUAZKGSY-ZIAGYGMSSA-N 0 0 389.883 4.658 50 0 GJAARN CCOC(=O)c1nc(CN2CCc3sccc3[C@@H]2c2cccs2)cs1 ZINC000048009420 570218039 /nfs/dbraw/zinc/21/80/39/570218039.db2.gz JSPZFJPQJLPKPR-MRXNPFEDSA-N 0 0 390.555 4.591 50 0 GJAARN Cc1cc([C@H](C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)c(C)s1 ZINC000048145939 570218948 /nfs/dbraw/zinc/21/89/48/570218948.db2.gz GFIYCCBBLAVPLD-LBPRGKRZSA-N 0 0 375.469 4.514 50 0 GJAARN Cc1cc2cc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)ccc2[nH]1 ZINC000048234540 570220984 /nfs/dbraw/zinc/22/09/84/570220984.db2.gz DKJWYLLHUWIJDG-UHFFFAOYSA-N 0 0 375.428 4.912 50 0 GJAARN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl ZINC000012810339 570224929 /nfs/dbraw/zinc/22/49/29/570224929.db2.gz COMUHSXEPBAAIR-HNNXBMFYSA-N 0 0 388.792 4.531 50 0 GJAARN COc1cc2cc(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)[nH]c2c(OC)c1 ZINC000048264085 570225327 /nfs/dbraw/zinc/22/53/27/570225327.db2.gz SWGPRANVKZRCBH-CYBMUJFWSA-N 0 0 378.428 4.765 50 0 GJAARN COc1cccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)c1 ZINC000001448032 570225405 /nfs/dbraw/zinc/22/54/05/570225405.db2.gz QRHJNAQILDRQNB-UHFFFAOYSA-N 0 0 388.375 4.813 50 0 GJAARN COc1ccc([C@@H]2Cc3onc(C)c3N=C(c3ccc(F)cc3)C2)cc1OC ZINC000085413329 570226607 /nfs/dbraw/zinc/22/66/07/570226607.db2.gz BGXBOGZKIWKOLR-INIZCTEOSA-N 0 0 380.419 4.990 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccc(C)c(C)c1 ZINC000048287809 570227992 /nfs/dbraw/zinc/22/79/92/570227992.db2.gz XMNZLIVVQVCQBF-UHFFFAOYSA-N 0 0 391.515 4.533 50 0 GJAARN CC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000019898755 570228211 /nfs/dbraw/zinc/22/82/11/570228211.db2.gz AVYCUZZTHWDZPC-MAVBTGMRSA-N 0 0 393.512 4.586 50 0 GJAARN Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000023306773 570229257 /nfs/dbraw/zinc/22/92/57/570229257.db2.gz MXKOZUKLHHARJP-RUZDIDTESA-N 0 0 384.523 4.851 50 0 GJAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000001463917 570230595 /nfs/dbraw/zinc/23/05/95/570230595.db2.gz UHDQKMZAGAGHKD-UHFFFAOYSA-N 0 0 386.403 4.996 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccccc2Cl)n1C[C@H]1CCCO1 ZINC000006067177 570232855 /nfs/dbraw/zinc/23/28/55/570232855.db2.gz YBNSJRVQAVDZBI-OAHLLOKOSA-N 0 0 386.904 4.521 50 0 GJAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccccc1)oc1ccccc12 ZINC000006065649 570232873 /nfs/dbraw/zinc/23/28/73/570232873.db2.gz LREPUNUAYNCOPM-AWEZNQCLSA-N 0 0 389.407 4.779 50 0 GJAARN Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816596 570233558 /nfs/dbraw/zinc/23/35/58/570233558.db2.gz UJKPDXJMGINFQU-RTWAWAEBSA-N 0 0 392.478 4.839 50 0 GJAARN Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 ZINC000004816678 570235073 /nfs/dbraw/zinc/23/50/73/570235073.db2.gz NZQBEVHEADFVJJ-WOJBJXKFSA-N 0 0 392.890 4.717 50 0 GJAARN O=C(Nc1cccc(Cl)c1F)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364531 570235627 /nfs/dbraw/zinc/23/56/27/570235627.db2.gz XOMUPJWASNRJHI-AWEZNQCLSA-N 0 0 382.822 4.638 50 0 GJAARN Cc1cnc2c(cccc2S(=O)(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000048324501 570235830 /nfs/dbraw/zinc/23/58/30/570235830.db2.gz CFCRAYFREVCEOP-HNNXBMFYSA-N 0 0 384.526 4.623 50 0 GJAARN CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816846 570236224 /nfs/dbraw/zinc/23/62/24/570236224.db2.gz MYUFUSQOGBNFNF-QZTJIDSGSA-N 0 0 387.270 4.672 50 0 GJAARN Cc1sc(NC(=O)c2ccc(NC(N)=O)cc2)nc1-c1ccc(Cl)cc1 ZINC000006084313 570239229 /nfs/dbraw/zinc/23/92/29/570239229.db2.gz JGNKJCBOCPNTAW-UHFFFAOYSA-N 0 0 386.864 4.515 50 0 GJAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(C)C)cc2)no1 ZINC000048343843 570240308 /nfs/dbraw/zinc/24/03/08/570240308.db2.gz PDJVFFCMKAXBAC-UHFFFAOYSA-N 0 0 383.473 4.710 50 0 GJAARN COc1ccc(CNC(=O)c2sc3cc(F)ccc3c2Cl)c(OC)c1 ZINC000023317032 570241397 /nfs/dbraw/zinc/24/13/97/570241397.db2.gz FDFZLBOYYRZJHJ-UHFFFAOYSA-N 0 0 379.840 4.641 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000006097161 570242860 /nfs/dbraw/zinc/24/28/60/570242860.db2.gz OOOUIHIUGIQWFP-FQEVSTJZSA-N 0 0 392.528 4.785 50 0 GJAARN CCCn1cnc2cc(NC(=O)N3CCc4ccc(OC)cc4[C@H]3C)ccc21 ZINC000097492507 570244980 /nfs/dbraw/zinc/24/49/80/570244980.db2.gz JXEMNQNOANZDCL-OAHLLOKOSA-N 0 0 378.476 4.606 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000006112797 570248032 /nfs/dbraw/zinc/24/80/32/570248032.db2.gz LXVKZAWJHARSBK-UHFFFAOYSA-N 0 0 389.933 4.873 50 0 GJAARN O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(SC(F)F)cc1 ZINC000048373915 570248884 /nfs/dbraw/zinc/24/88/84/570248884.db2.gz SZIHAGAVZCUHKE-UHFFFAOYSA-N 0 0 388.443 4.568 50 0 GJAARN CCOC(=O)c1cc2cc(NC(=O)N3CCC[C@H]3c3ccncc3)ccc2s1 ZINC000048374632 570249478 /nfs/dbraw/zinc/24/94/78/570249478.db2.gz MNCDKPVGLPTFNZ-KRWDZBQOSA-N 0 0 395.484 4.842 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000048374611 570249549 /nfs/dbraw/zinc/24/95/49/570249549.db2.gz 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COc1cccc2c(Nc3ccc(F)c(F)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000049003008 570261377 /nfs/dbraw/zinc/26/13/77/570261377.db2.gz SGSWIRIYHPZIAV-UHFFFAOYSA-N 0 0 397.425 4.891 50 0 GJAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000023320811 570262205 /nfs/dbraw/zinc/26/22/05/570262205.db2.gz OXXGPYRIBUOJAY-UHFFFAOYSA-N 0 0 396.315 4.877 50 0 GJAARN CCc1c(C)sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1C(N)=O ZINC000006122916 570263665 /nfs/dbraw/zinc/26/36/65/570263665.db2.gz FAXNWOXNEVUELZ-BQYQJAHWSA-N 0 0 383.300 4.677 50 0 GJAARN COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000085988220 570264903 /nfs/dbraw/zinc/26/49/03/570264903.db2.gz HLKPJCXOKYHJOL-PZJWPPBQSA-N 0 0 384.907 4.982 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000012851740 570266229 /nfs/dbraw/zinc/26/62/29/570266229.db2.gz SQYFUXLLUVNUBI-FQEVSTJZSA-N 0 0 397.906 4.702 50 0 GJAARN Cc1cccc(NC(=O)c2ccc([C@H]3CCCN3C(=O)c3ccon3)s2)c1C ZINC000020538426 570266356 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C[C@@H]1CCC2=C(C3(CC2)SCCS3)[C@]1(C)[C@@H](O)CCC1OCCCO1 ZINC000071786197 570272047 /nfs/dbraw/zinc/27/20/47/570272047.db2.gz OMMSCPDCVWIERB-ALKREAHSSA-N 0 0 384.607 4.593 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)s1)c1ccco1 ZINC000049764858 570272148 /nfs/dbraw/zinc/27/21/48/570272148.db2.gz ZROCLVUYEVJNGP-MRXNPFEDSA-N 0 0 395.484 4.746 50 0 GJAARN CCn1c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615694 570272470 /nfs/dbraw/zinc/27/24/70/570272470.db2.gz MSZLIDHQDPGCEC-UHFFFAOYSA-N 0 0 391.487 4.879 50 0 GJAARN COc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1OC ZINC000020616861 570272709 /nfs/dbraw/zinc/27/27/09/570272709.db2.gz PEAKOFOLGWMRTH-UHFFFAOYSA-N 0 0 393.468 4.665 50 0 GJAARN O=C(c1cc2c(s1)-c1ccccc1CC2)N(C[C@H]1CCCO1)c1ccncc1 ZINC000114135945 570273402 /nfs/dbraw/zinc/27/34/02/570273402.db2.gz NKKMNJWGPRTFPM-LJQANCHMSA-N 0 0 390.508 4.735 50 0 GJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 ZINC000100580465 570273486 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O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000006529760 570276674 /nfs/dbraw/zinc/27/66/74/570276674.db2.gz XCNNMYLCGISFMM-IBGZPJMESA-N 0 0 381.476 4.736 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3cnccc3o2)c1 ZINC000020735890 570277898 /nfs/dbraw/zinc/27/78/98/570277898.db2.gz UIWYIXCBJDLTTR-UHFFFAOYSA-N 0 0 379.803 4.561 50 0 GJAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000002188509 570278125 /nfs/dbraw/zinc/27/81/25/570278125.db2.gz YIOAXNCSCYORIV-UHFFFAOYSA-N 0 0 399.541 4.557 50 0 GJAARN Cc1ccccc1OCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010692662 570282628 /nfs/dbraw/zinc/28/26/28/570282628.db2.gz LHESKRNGFNTJPW-OAQYLSRUSA-N 0 0 384.479 4.803 50 0 GJAARN Cc1ccccc1OCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010692652 570282674 /nfs/dbraw/zinc/28/26/74/570282674.db2.gz LHESKRNGFNTJPW-NRFANRHFSA-N 0 0 384.479 4.803 50 0 GJAARN Clc1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn32)c1 ZINC000002359064 570284304 /nfs/dbraw/zinc/28/43/04/570284304.db2.gz 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CCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000010958944 570388456 /nfs/dbraw/zinc/38/84/56/570388456.db2.gz XKGLCQDPQWYCOQ-UHFFFAOYSA-N 0 0 375.350 4.542 50 0 GJAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1 ZINC000035511783 570388700 /nfs/dbraw/zinc/38/87/00/570388700.db2.gz JIGZRVGTUDFMOE-GOSISDBHSA-N 0 0 386.499 4.543 50 0 GJAARN COc1cccc(C(=O)Nc2cc(-c3nc4cnccc4o3)ccc2Cl)c1 ZINC000032096753 570388971 /nfs/dbraw/zinc/38/89/71/570388971.db2.gz NZCNBTXYWNHCQM-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN CCc1sc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4=C(C)C)[C@@H]3C2=O)nc1-c1ccccc1 ZINC000004652204 570389741 /nfs/dbraw/zinc/38/97/41/570389741.db2.gz SJECLOIEXPEKND-QXGSTGNESA-N 0 0 392.524 4.854 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000004987423 570390015 /nfs/dbraw/zinc/39/00/15/570390015.db2.gz PKTIOBGIXAJGFU-ACJLOTCBSA-N 0 0 397.475 4.550 50 0 GJAARN COc1ccc(C)cc1-c1csc(NC(=O)CCc2ccc(N(C)C)cc2)n1 ZINC000024707448 570390114 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Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000035530390 570394111 /nfs/dbraw/zinc/39/41/11/570394111.db2.gz IIOLVFIRAWOICX-UHFFFAOYSA-N 0 0 393.531 4.562 50 0 GJAARN CCc1nc(-c2cc(NC(=O)Cc3ccc(OC)c(Cl)c3)c(C)s2)no1 ZINC000035554841 570395489 /nfs/dbraw/zinc/39/54/89/570395489.db2.gz YEVYFOTWIKJBMJ-UHFFFAOYSA-N 0 0 391.880 4.512 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(N2Cc3ccccc3C2)c1 ZINC000004707405 570396437 /nfs/dbraw/zinc/39/64/37/570396437.db2.gz XCDQGGSNGHFSQJ-UHFFFAOYSA-N 0 0 378.859 4.878 50 0 GJAARN COc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1Br ZINC000023786050 570396848 /nfs/dbraw/zinc/39/68/48/570396848.db2.gz DMKJLSHSRLBTKB-UHFFFAOYSA-N 0 0 386.648 4.522 50 0 GJAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)C1(C)C ZINC000004721846 570397585 /nfs/dbraw/zinc/39/75/85/570397585.db2.gz DOAPFWMHYCYJDH-NHCUHLMSSA-N 0 0 376.500 4.794 50 0 GJAARN CSc1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)c1 ZINC000035592882 570398931 /nfs/dbraw/zinc/39/89/31/570398931.db2.gz 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CC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 ZINC000027481004 570434817 /nfs/dbraw/zinc/43/48/17/570434817.db2.gz HWHRWSNERCSGEE-UHFFFAOYSA-N 0 0 395.484 4.794 50 0 GJAARN COc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000005446365 570439818 /nfs/dbraw/zinc/43/98/18/570439818.db2.gz YQROHCIWYBCIQX-UHFFFAOYSA-N 0 0 387.439 4.564 50 0 GJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1Cl ZINC000006461096 570440001 /nfs/dbraw/zinc/44/00/01/570440001.db2.gz MQJUMIOXXCLFDW-UHFFFAOYSA-N 0 0 380.831 4.610 50 0 GJAARN CCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)cc1 ZINC000027794423 570442941 /nfs/dbraw/zinc/44/29/41/570442941.db2.gz QFPKDQJBAFMSAQ-UHFFFAOYSA-N 0 0 376.456 4.726 50 0 GJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 ZINC000005500035 570443031 /nfs/dbraw/zinc/44/30/31/570443031.db2.gz RFXNWTKOMCXCCA-UHFFFAOYSA-N 0 0 377.872 4.962 50 0 GJAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C(C)(C)C ZINC000035765116 570443809 /nfs/dbraw/zinc/44/38/09/570443809.db2.gz 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/nfs/dbraw/zinc/47/22/61/570472261.db2.gz GXPZYLQSYFTXPY-UHFFFAOYSA-N 0 0 384.844 4.513 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@H]3CCCC[C@@H]3C)c2n1 ZINC000006547131 570472693 /nfs/dbraw/zinc/47/26/93/570472693.db2.gz URMJRJFLOISXIV-ZBEGNZNMSA-N 0 0 381.303 4.924 50 0 GJAARN CC(C)c1cnc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000252477285 570474113 /nfs/dbraw/zinc/47/41/13/570474113.db2.gz LGGNYKYHOAYCMX-IAGOWNOFSA-N 0 0 377.529 4.552 50 0 GJAARN O=C(Cn1ccc2ccccc21)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252479203 570474740 /nfs/dbraw/zinc/47/47/40/570474740.db2.gz BAVOQCXAZBBXAU-JOCHJYFZSA-N 0 0 394.478 4.618 50 0 GJAARN CC(=O)c1sc(NC(=O)c2csc(-c3ccco3)n2)nc1-c1ccccc1 ZINC000029541782 570475816 /nfs/dbraw/zinc/47/58/16/570475816.db2.gz KATRXQMDCAHJPN-UHFFFAOYSA-N 0 0 395.465 4.982 50 0 GJAARN CCCCn1c(C)c(C)nc1S[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000029627537 570477153 /nfs/dbraw/zinc/47/71/53/570477153.db2.gz SIZYTTOFAXPTCJ-INIZCTEOSA-N 0 0 375.538 4.818 50 0 GJAARN Cc1nc(CSc2ccc(C(=O)NCC3(O)CCCCCC3)cc2)cs1 ZINC000072288706 570478755 /nfs/dbraw/zinc/47/87/55/570478755.db2.gz VWRRDQUVKMJNOD-UHFFFAOYSA-N 0 0 390.574 4.559 50 0 GJAARN CCOc1cccc2c1cc(C(=O)NCc1ccccn1)n2Cc1ccccc1C ZINC000035927944 570480085 /nfs/dbraw/zinc/48/00/85/570480085.db2.gz DBZBZPKSCZZZBD-UHFFFAOYSA-N 0 0 399.494 4.722 50 0 GJAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NC4CCCC4)cc3)ncn2)c1 ZINC000064568583 570483583 /nfs/dbraw/zinc/48/35/83/570483583.db2.gz LBOMSGQFXJCZOD-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN CCCCCNC(=O)c1ccc(-c2cc(Oc3cccc(OC)c3)ncn2)cc1 ZINC000064568589 570483599 /nfs/dbraw/zinc/48/35/99/570483599.db2.gz HWMCLHMKCFFRIB-UHFFFAOYSA-N 0 0 391.471 4.865 50 0 biogenic GJAARN COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000006624876 570485386 /nfs/dbraw/zinc/48/53/86/570485386.db2.gz KGEQTPILGJCRDL-UHFFFAOYSA-N 0 0 396.874 4.591 50 0 GJAARN O=c1[nH]c2ccc(NCc3ccc(OCc4ccccc4Cl)cc3)cc2[nH]1 ZINC000006662783 570486621 /nfs/dbraw/zinc/48/66/21/570486621.db2.gz MZNZLSUZZLCLGE-UHFFFAOYSA-N 0 0 379.847 4.701 50 0 GJAARN CCOc1ncccc1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030308262 570487861 /nfs/dbraw/zinc/48/78/61/570487861.db2.gz VBHJEFWKGDNQLY-UHFFFAOYSA-N 0 0 399.450 4.732 50 0 GJAARN CCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1C)C(=O)OCC ZINC000006704734 570489423 /nfs/dbraw/zinc/48/94/23/570489423.db2.gz SAQGHHRYWDDSRI-IBGZPJMESA-N 0 0 396.512 4.518 50 0 GJAARN COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc(OC)cc3OC)co2)cc1 ZINC000042754195 570490920 /nfs/dbraw/zinc/49/09/20/570490920.db2.gz ABPUMKYDUBNWDR-OAQYLSRUSA-N 0 0 394.471 4.705 50 0 GJAARN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000089548267 570492770 /nfs/dbraw/zinc/49/27/70/570492770.db2.gz JCPAMNVCOYFEIJ-IEBWSBKVSA-N 0 0 390.549 4.744 50 0 GJAARN Cc1cccc(-c2nc3c4ccccc4nc(NCCc4ccccc4)n3n2)c1 ZINC000006805518 570494378 /nfs/dbraw/zinc/49/43/78/570494378.db2.gz FZUIBNOIJJANJK-UHFFFAOYSA-N 0 0 379.467 4.908 50 0 GJAARN O=C(c1ccc(Cl)s1)N1CCN(c2nc3c(cccc3Cl)s2)CC1 ZINC000005181920 570496065 /nfs/dbraw/zinc/49/60/65/570496065.db2.gz XXTDXNBQRHDQRB-UHFFFAOYSA-N 0 0 398.340 4.627 50 0 GJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccccc1SCc1cscn1 ZINC000030797717 570496166 /nfs/dbraw/zinc/49/61/66/570496166.db2.gz XLIYRSKNWOZPJU-UHFFFAOYSA-N 0 0 393.537 4.889 50 0 GJAARN O=C(COCc1cc(-c2cccs2)on1)Nc1ccc(Cl)c(Cl)c1 ZINC000006876562 570497877 /nfs/dbraw/zinc/49/78/77/570497877.db2.gz QCIQZWRJOMFOAL-UHFFFAOYSA-N 0 0 383.256 4.865 50 0 GJAARN Cc1ccccc1Nc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901603 570498564 /nfs/dbraw/zinc/49/85/64/570498564.db2.gz QYFOWWUGNUPIDU-UHFFFAOYSA-N 0 0 379.423 4.561 50 0 GJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000005190676 570498992 /nfs/dbraw/zinc/49/89/92/570498992.db2.gz UCJYTDNVSVOOFM-MRXNPFEDSA-N 0 0 398.709 4.890 50 0 GJAARN COc1ccc(-c2nc(NC(=O)CSc3ccc(F)cc3)sc2C)cc1 ZINC000005192479 570499326 /nfs/dbraw/zinc/49/93/26/570499326.db2.gz YPTKLSBCGNCVLF-UHFFFAOYSA-N 0 0 388.489 4.997 50 0 GJAARN O=C(c1cc2ccccc2o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000006608444 570500003 /nfs/dbraw/zinc/50/00/03/570500003.db2.gz JCCIEXXLHWBKPS-UHFFFAOYSA-N 0 0 393.830 4.941 50 0 GJAARN N=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)S1 ZINC000007003265 570500038 /nfs/dbraw/zinc/50/00/38/570500038.db2.gz CLPJXTAWONJBBA-NVNXTCNLSA-N 0 0 379.268 4.711 50 0 GJAARN CCc1cccc(C)c1NC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000007071775 570500559 /nfs/dbraw/zinc/50/05/59/570500559.db2.gz LBPAPBOCKBIRKK-UHFFFAOYSA-N 0 0 378.266 4.589 50 0 GJAARN Fc1ccc(-c2nnn3c2nc(N2CCc4ccccc4C2)c2ccccc23)cc1 ZINC000002688985 570503726 /nfs/dbraw/zinc/50/37/26/570503726.db2.gz QDJTXFKNCGGSIE-UHFFFAOYSA-N 0 0 395.441 4.646 50 0 GJAARN COc1ccc(-c2cn(-c3ccc(Br)cc3)c(=S)[nH]2)cc1OC ZINC000002689231 570503970 /nfs/dbraw/zinc/50/39/70/570503970.db2.gz BCYUSXNWSHEGCC-UHFFFAOYSA-N 0 0 391.290 4.982 50 0 GJAARN Cc1cc(NC(=S)NC(=O)CC(C)C)cc(-c2nc3ccccc3s2)c1O ZINC000006613133 570504368 /nfs/dbraw/zinc/50/43/68/570504368.db2.gz UNBBFAZDRRVHMY-UHFFFAOYSA-N 0 0 399.541 4.836 50 0 GJAARN CCOc1cccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ncccc4o3)c2)c1 ZINC000007505084 570506619 /nfs/dbraw/zinc/50/66/19/570506619.db2.gz SUMSECULKUPIQT-UHFFFAOYSA-N 0 0 389.411 4.555 50 0 GJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3F)c(C)c21 ZINC000006623913 570507927 /nfs/dbraw/zinc/50/79/27/570507927.db2.gz VJCGSPVVAISOIX-UHFFFAOYSA-N 0 0 379.387 4.785 50 0 biogenic GJAARN CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 ZINC000002720038 570508140 /nfs/dbraw/zinc/50/81/40/570508140.db2.gz DZUROFHJTRSGPT-SNVBAGLBSA-N 0 0 397.363 4.534 50 0 GJAARN COc1ccc(OC)c(-c2cc(CN(C(=O)c3cccc(F)c3)C(C)C)no2)c1 ZINC000036011880 570509002 /nfs/dbraw/zinc/50/90/02/570509002.db2.gz FEFNZGUQZGFTCK-UHFFFAOYSA-N 0 0 398.434 4.549 50 0 GJAARN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCCO)cc1Cl ZINC000002714219 570509374 /nfs/dbraw/zinc/50/93/74/570509374.db2.gz BWGNRRKYTWQRPR-UHFFFAOYSA-N 0 0 392.890 4.844 50 0 GJAARN O=C(NC(=S)NCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002726809 570511231 /nfs/dbraw/zinc/51/12/31/570511231.db2.gz UKOKSHQURDITRO-UHFFFAOYSA-N 0 0 397.503 4.706 50 0 GJAARN COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)c1ccc(OC)cc1 ZINC000002736137 570511860 /nfs/dbraw/zinc/51/18/60/570511860.db2.gz OWYVRUWHMOAZKH-CQSZACIVSA-N 0 0 395.480 4.947 50 0 GJAARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000002761515 570511925 /nfs/dbraw/zinc/51/19/25/570511925.db2.gz NEOSFJBKQOZFLS-HOTGVXAUSA-N 0 0 386.282 4.980 50 0 GJAARN CCCc1ccc(-c2csc(NC(=O)c3ccncc3)c2C(=O)OC)cc1 ZINC000002762381 570511973 /nfs/dbraw/zinc/51/19/73/570511973.db2.gz CBMGRZYTJHRSEZ-UHFFFAOYSA-N 0 0 380.469 4.802 50 0 GJAARN CC(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2s1 ZINC000032959353 570513283 /nfs/dbraw/zinc/51/32/83/570513283.db2.gz KYUQFIXGDWKNJN-UHFFFAOYSA-N 0 0 381.501 4.949 50 0 GJAARN O=C(c1cccs1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000002789253 570514435 /nfs/dbraw/zinc/51/44/35/570514435.db2.gz MXCCKVNOBVHRCN-UHFFFAOYSA-N 0 0 377.509 4.536 50 0 GJAARN COCCNc1c(-c2ccccc2OC)nc2sc3cc(Cl)ccc3n21 ZINC000064668472 570514585 /nfs/dbraw/zinc/51/45/85/570514585.db2.gz PYYCVQAVCOYCHJ-UHFFFAOYSA-N 0 0 387.892 4.936 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000002787505 570514637 /nfs/dbraw/zinc/51/46/37/570514637.db2.gz WLESLZQIQUBIQM-UHFFFAOYSA-N 0 0 380.206 4.618 50 0 GJAARN O=C(CCc1c(-c2ccc(F)cc2)nc2ccccn21)NCc1cccc(F)c1 ZINC000064675606 570516182 /nfs/dbraw/zinc/51/61/82/570516182.db2.gz WYNVSDHKNBXXAO-UHFFFAOYSA-N 0 0 391.421 4.529 50 0 GJAARN O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccc(Cl)cc1Cl ZINC000002800672 570516718 /nfs/dbraw/zinc/51/67/18/570516718.db2.gz NSXKUDNNIUKKSA-UHFFFAOYSA-N 0 0 381.650 4.539 50 0 GJAARN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(O)c1 ZINC000005226104 570517618 /nfs/dbraw/zinc/51/76/18/570517618.db2.gz VCKCXBBFRKLBDE-INIZCTEOSA-N 0 0 375.424 4.552 50 0 GJAARN O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCC[C@H]1c1ccco1 ZINC000033012287 570518203 /nfs/dbraw/zinc/51/82/03/570518203.db2.gz RKOPQITVZRCYGK-HNNXBMFYSA-N 0 0 387.233 4.674 50 0 GJAARN O=C(Nc1cc(F)ccc1F)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000002795272 570518611 /nfs/dbraw/zinc/51/86/11/570518611.db2.gz OETGGDDFFROSBE-UHFFFAOYSA-N 0 0 398.196 4.757 50 0 GJAARN Cc1cccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000033048610 570518881 /nfs/dbraw/zinc/51/88/81/570518881.db2.gz QCNQEGNCTHFIAZ-FQEVSTJZSA-N 0 0 387.414 4.704 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000033048634 570518991 /nfs/dbraw/zinc/51/89/91/570518991.db2.gz ACLWDCYATZGISU-LJQANCHMSA-N 0 0 391.377 4.534 50 0 GJAARN COc1cccc(Nc2nnc(SCCOc3ccccc3F)s2)c1 ZINC000006651080 570519642 /nfs/dbraw/zinc/51/96/42/570519642.db2.gz ZZFLFGWAXKDXRP-UHFFFAOYSA-N 0 0 377.466 4.601 50 0 GJAARN CCn1c2ccccc2nc1SCC(=O)Nc1ccc2nc(C)sc2c1 ZINC000006651365 570520062 /nfs/dbraw/zinc/52/00/62/570520062.db2.gz VYJIYMSYQNSXTA-UHFFFAOYSA-N 0 0 382.514 4.705 50 0 GJAARN Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000002917458 570520934 /nfs/dbraw/zinc/52/09/34/570520934.db2.gz CXODIQSQAVGWAH-UHFFFAOYSA-N 0 0 375.906 4.898 50 0 GJAARN Cc1ccccc1-c1nsc(SCC(=O)Nc2nc3ccccc3s2)n1 ZINC000002917613 570521409 /nfs/dbraw/zinc/52/14/09/570521409.db2.gz AFLXVSNPYOOZEH-UHFFFAOYSA-N 0 0 398.538 4.854 50 0 GJAARN CCOc1ccc2oc(C(=O)OCC(=O)NC3CCCCCCC3)c(C)c2c1 ZINC000006657166 570521455 /nfs/dbraw/zinc/52/14/55/570521455.db2.gz BKMMXDDACCGVOZ-UHFFFAOYSA-N 0 0 387.476 4.526 50 0 GJAARN COP(=O)(OC)c1nc(-c2cccc3ccccc32)oc1N1CCCCC1 ZINC000002908135 570521665 /nfs/dbraw/zinc/52/16/65/570521665.db2.gz LBCZSJPUOWSJJS-UHFFFAOYSA-N 0 0 386.388 4.596 50 0 GJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000033270089 570522301 /nfs/dbraw/zinc/52/23/01/570522301.db2.gz KOZAHLPDWIBLHA-INIZCTEOSA-N 0 0 385.851 4.831 50 0 GJAARN O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)c1ccc(C2SCCS2)cc1 ZINC000072307131 570524879 /nfs/dbraw/zinc/52/48/79/570524879.db2.gz OUJLKJUPGFNUDA-UHFFFAOYSA-N 0 0 399.516 4.624 50 0 GJAARN Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)CSC3)c1C ZINC000003008352 570525841 /nfs/dbraw/zinc/52/58/41/570525841.db2.gz DCDYUEJULDYBAS-UHFFFAOYSA-N 0 0 381.476 4.556 50 0 GJAARN O=C(CSc1nnc(-c2ccccc2)c2ccccc21)NCc1cccs1 ZINC000005242806 570526140 /nfs/dbraw/zinc/52/61/40/570526140.db2.gz MMSSISKDVOXLAB-UHFFFAOYSA-N 0 0 391.521 4.767 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000005244180 570526427 /nfs/dbraw/zinc/52/64/27/570526427.db2.gz UUMNPPXSECOPBJ-UHFFFAOYSA-N 0 0 394.393 4.575 50 0 GJAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)nc4oc(C)c(C)c43)C2)cc1 ZINC000032960246 570527053 /nfs/dbraw/zinc/52/70/53/570527053.db2.gz HNGSJOZEXPDRSI-SFHVURJKSA-N 0 0 392.503 4.566 50 0 GJAARN COc1ccc(-c2nsc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000003007369 570527690 /nfs/dbraw/zinc/52/76/90/570527690.db2.gz DYAPBAWPVUTBGA-UHFFFAOYSA-N 0 0 391.905 4.598 50 0 GJAARN COCc1cc(C)nc2sc(C(=O)Nc3cccc(Cl)c3Cl)c(N)c21 ZINC000006672749 570529534 /nfs/dbraw/zinc/52/95/34/570529534.db2.gz 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570532560 /nfs/dbraw/zinc/53/25/60/570532560.db2.gz SBMNTIMYDOIOFT-UHFFFAOYSA-N 0 0 391.471 4.915 50 0 GJAARN Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)no1 ZINC000005260318 570533347 /nfs/dbraw/zinc/53/33/47/570533347.db2.gz OSNXTACRHFVARD-UHFFFAOYSA-N 0 0 377.473 4.535 50 0 GJAARN NC(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(Cl)cc1Cl ZINC000000756267 570533892 /nfs/dbraw/zinc/53/38/92/570533892.db2.gz SPTZGDRPAGNCAJ-UHFFFAOYSA-N 0 0 399.277 4.863 50 0 GJAARN O=C(NCc1cccnc1-c1ccccc1)Nc1ccccc1Br ZINC000064755977 570534427 /nfs/dbraw/zinc/53/44/27/570534427.db2.gz PESGQAAZBBILHM-UHFFFAOYSA-N 0 0 382.261 4.833 50 0 GJAARN COc1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCCC2)c(OC)c1 ZINC000001126899 570534979 /nfs/dbraw/zinc/53/49/79/570534979.db2.gz DRTGUFLSYCLRSH-UHFFFAOYSA-N 0 0 399.487 4.562 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000022135458 570538595 /nfs/dbraw/zinc/53/85/95/570538595.db2.gz SCAYGXBISKTHDE-UHFFFAOYSA-N 0 0 390.464 4.995 50 0 GJAARN 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COc1ccc(-c2cc(NC(=O)c3cccc(OC)c3OC)ccc2OC)cc1 ZINC000017604680 570706264 /nfs/dbraw/zinc/70/62/64/570706264.db2.gz GTWWKGOYYGGNKX-UHFFFAOYSA-N 0 0 393.439 4.640 50 0 GJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(Cl)cc3F)n2)cc1 ZINC000065133843 570706907 /nfs/dbraw/zinc/70/69/07/570706907.db2.gz VCRKYGNXRHDPSP-UHFFFAOYSA-N 0 0 385.826 4.570 50 0 GJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000065133851 570706999 /nfs/dbraw/zinc/70/69/99/570706999.db2.gz KSOZAHHBLOKHKK-UHFFFAOYSA-N 0 0 381.863 4.740 50 0 GJAARN CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c2cccnc12 ZINC000032622579 570707118 /nfs/dbraw/zinc/70/71/18/570707118.db2.gz GKNUFVQEXKUDQV-UHFFFAOYSA-N 0 0 389.411 4.549 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@@H](NCc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000025054976 570708123 /nfs/dbraw/zinc/70/81/23/570708123.db2.gz ILGICLCWYYZAFF-DEOSSOPVSA-N 0 0 398.510 4.660 50 0 GJAARN O=C(Nc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1 ZINC000000682493 570709157 /nfs/dbraw/zinc/70/91/57/570709157.db2.gz 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570712970 /nfs/dbraw/zinc/71/29/70/570712970.db2.gz KLSJMMSIXTWTMC-UHFFFAOYSA-N 0 0 399.878 4.514 50 0 GJAARN Cc1cc(C)c(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001182974 570713303 /nfs/dbraw/zinc/71/33/03/570713303.db2.gz KIDRKWVLLLCDPQ-UHFFFAOYSA-N 0 0 390.508 4.654 50 0 GJAARN CCCCN(CC)c1ccc(C(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000058166889 570713901 /nfs/dbraw/zinc/71/39/01/570713901.db2.gz HBXVZFXYKUULGV-UHFFFAOYSA-N 0 0 383.492 4.532 50 0 GJAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3csc(-c4ccccc4)n3)n2)C1 ZINC000012789921 570713911 /nfs/dbraw/zinc/71/39/11/570713911.db2.gz SADKVNBGMWLUOE-AWEZNQCLSA-N 0 0 398.557 4.751 50 0 GJAARN O=C(Nc1ncccc1OCC1CCCCC1)c1cnc(-c2ccccc2)nc1 ZINC000058166614 570713936 /nfs/dbraw/zinc/71/39/36/570713936.db2.gz UBWOCUYJUOAGBM-UHFFFAOYSA-N 0 0 388.471 4.750 50 0 GJAARN CCOc1ccccc1NC(=O)CSCc1cccc(Br)c1 ZINC000001290546 570714118 /nfs/dbraw/zinc/71/41/18/570714118.db2.gz ODWALVKDIBMBKI-UHFFFAOYSA-N 0 0 380.307 4.720 50 0 GJAARN CC(C)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012790959 570714401 /nfs/dbraw/zinc/71/44/01/570714401.db2.gz CIBSLHBZLZGWII-QNGOZBTKSA-N 0 0 399.454 4.693 50 0 GJAARN CC[C@@H]1CCc2nc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)sc2C1 ZINC000065157542 570714599 /nfs/dbraw/zinc/71/45/99/570714599.db2.gz WNNUFTFPFISUPQ-GFCCVEGCSA-N 0 0 385.455 4.891 50 0 GJAARN Cc1oc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1COc1ccccc1 ZINC000006941033 570715049 /nfs/dbraw/zinc/71/50/49/570715049.db2.gz ZXQPZXXFXAEQME-UHFFFAOYSA-N 0 0 376.456 4.855 50 0 GJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012795628 570716119 /nfs/dbraw/zinc/71/61/19/570716119.db2.gz KBTJWQIEUYBEES-KRWDZBQOSA-N 0 0 391.389 4.844 50 0 GJAARN COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C ZINC000012805050 570718433 /nfs/dbraw/zinc/71/84/33/570718433.db2.gz KPLMTMUJBFEIKK-PXNSSMCTSA-N 0 0 398.503 4.674 50 0 GJAARN COc1ccc(-c2nnc(SCC3(O)CCCCC3)n2-c2ccccc2)cc1 ZINC000065168873 570719268 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570722197 /nfs/dbraw/zinc/72/21/97/570722197.db2.gz BAPMEEYRNUVPDW-UHFFFAOYSA-N 0 0 389.274 4.834 50 0 GJAARN O=C(CCc1nc2ccccc2s1)NCCCc1nc2ccccc2s1 ZINC000011176212 570725858 /nfs/dbraw/zinc/72/58/58/570725858.db2.gz MLRVMAGCKIQQIR-UHFFFAOYSA-N 0 0 381.526 4.588 50 0 GJAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O ZINC000004386021 570726572 /nfs/dbraw/zinc/72/65/72/570726572.db2.gz AROFBNJSQBFJNH-AWEZNQCLSA-N 0 0 399.897 4.992 50 0 GJAARN CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c1C ZINC000011180603 570726714 /nfs/dbraw/zinc/72/67/14/570726714.db2.gz JUSLAWVCYKODLE-UHFFFAOYSA-N 0 0 379.485 4.973 50 0 GJAARN Cc1ccsc1C(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1 ZINC000065195963 570727946 /nfs/dbraw/zinc/72/79/46/570727946.db2.gz KEWIOZVFWQVZBV-UHFFFAOYSA-N 0 0 399.472 4.904 50 0 GJAARN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000058341093 570727943 /nfs/dbraw/zinc/72/79/43/570727943.db2.gz WXVWPKHTVYSLTC-TZMCWYRMSA-N 0 0 379.378 4.553 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 ZINC000004543546 570728732 /nfs/dbraw/zinc/72/87/32/570728732.db2.gz JMZDGVCFOGSOQQ-KPKJPENVSA-N 0 0 376.412 4.501 50 0 GJAARN Cc1sc(NC(=O)c2cncc(Br)c2)nc1-c1ccc(F)cc1 ZINC000006994127 570732683 /nfs/dbraw/zinc/73/26/83/570732683.db2.gz FOTQCCCSQCQNGL-UHFFFAOYSA-N 0 0 392.253 4.667 50 0 GJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@H](C)CC1 ZINC000058430099 570733083 /nfs/dbraw/zinc/73/30/83/570733083.db2.gz RKZOQUYNUPREMP-AWEZNQCLSA-N 0 0 393.453 4.699 50 0 GJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccccc2F)cc1 ZINC000007003782 570735211 /nfs/dbraw/zinc/73/52/11/570735211.db2.gz MLOFTCWHOWGHCE-UHFFFAOYSA-N 0 0 388.446 4.991 50 0 GJAARN CCn1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000065219221 570735215 /nfs/dbraw/zinc/73/52/15/570735215.db2.gz UBSYFGMFPVZVGN-UHFFFAOYSA-N 0 0 399.863 4.587 50 0 GJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@H](CC)C2 ZINC000012979075 570735447 /nfs/dbraw/zinc/73/54/47/570735447.db2.gz 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CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)sc2c1 ZINC000005916366 570803499 /nfs/dbraw/zinc/80/34/99/570803499.db2.gz ZDDQJWUIGNUEQV-UHFFFAOYSA-N 0 0 399.541 4.992 50 0 GJAARN CC(C)CCn1c(CCCC(=O)N[C@@H](C)c2ccccc2)nc2cccnc21 ZINC000033072402 570803573 /nfs/dbraw/zinc/80/35/73/570803573.db2.gz AYTRSKURPNXHOY-SFHVURJKSA-N 0 0 378.520 4.678 50 0 GJAARN O=C1OC(c2ccccc2F)=N/C1=C\c1csc(-c2ccc(Cl)cc2)n1 ZINC000005938410 570805804 /nfs/dbraw/zinc/80/58/04/570805804.db2.gz LHFXZAFPEGWDEJ-SXGWCWSVSA-N 0 0 384.819 4.947 50 0 GJAARN CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000036741852 570805973 /nfs/dbraw/zinc/80/59/73/570805973.db2.gz PCIRBWGVTPGLRP-UHFFFAOYSA-N 0 0 395.462 4.822 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1 ZINC000007161870 570808774 /nfs/dbraw/zinc/80/87/74/570808774.db2.gz NZROYEUHYLGEIY-LBPRGKRZSA-N 0 0 398.513 4.896 50 0 GJAARN Cc1ccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1C ZINC000004659534 570810076 /nfs/dbraw/zinc/81/00/76/570810076.db2.gz RIPZXCGKGIFXKW-FMIVXFBMSA-N 0 0 396.446 4.902 50 0 GJAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c1OC ZINC000004659646 570810089 /nfs/dbraw/zinc/81/00/89/570810089.db2.gz NPIGIFPRDBIJAO-CCEZHUSRSA-N 0 0 398.462 4.882 50 0 GJAARN CC(=O)Nc1ccc(-c2cc(C(=O)NC3CCCC3)c3cc(C)ccc3n2)cc1 ZINC000033106332 570811057 /nfs/dbraw/zinc/81/10/57/570811057.db2.gz IBFYCDJOWIPOPS-UHFFFAOYSA-N 0 0 387.483 4.841 50 0 GJAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)cc1 ZINC000033106238 570811145 /nfs/dbraw/zinc/81/11/45/570811145.db2.gz MXNKGKMKECENDH-UHFFFAOYSA-N 0 0 387.483 4.923 50 0 GJAARN CSc1ccccc1NC(=O)CCSCc1nc2ccccc2nc1C ZINC000032778719 570811758 /nfs/dbraw/zinc/81/17/58/570811758.db2.gz IMOFUZZUAVDNIB-UHFFFAOYSA-N 0 0 383.542 4.922 50 0 GJAARN COc1cccc(NC(=O)CSCc2csc(-c3ccc(F)cc3)n2)c1 ZINC000032778861 570812036 /nfs/dbraw/zinc/81/20/36/570812036.db2.gz GXQMTBOGKOSZND-UHFFFAOYSA-N 0 0 388.489 4.830 50 0 GJAARN COc1cccc(-c2noc(CS[C@@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000032779083 570812052 /nfs/dbraw/zinc/81/20/52/570812052.db2.gz OEXJNHLCOUEIRM-HNNXBMFYSA-N 0 0 397.500 4.622 50 0 GJAARN CCOC(=O)c1c2ccc(C)c(OCc3ccncc3)c2sc1NC(=O)CC ZINC000033113584 570812420 /nfs/dbraw/zinc/81/24/20/570812420.db2.gz FQMOGZVMLUCEMA-UHFFFAOYSA-N 0 0 398.484 4.709 50 0 GJAARN CC(=O)c1sc(NC(=O)CSc2ccc(F)cc2)nc1-c1ccccc1 ZINC000004496725 570812481 /nfs/dbraw/zinc/81/24/81/570812481.db2.gz AJNVCXGTVAFXDE-UHFFFAOYSA-N 0 0 386.473 4.883 50 0 GJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC=C(c2ccccc2)CC1 ZINC000007191889 570813359 /nfs/dbraw/zinc/81/33/59/570813359.db2.gz MGBCUUXJWORYTG-UHFFFAOYSA-N 0 0 386.499 4.819 50 0 GJAARN C[C@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)N1CCc2ccccc21 ZINC000005694683 570813739 /nfs/dbraw/zinc/81/37/39/570813739.db2.gz BYCJNVDMIYSIGU-SFHVURJKSA-N 0 0 397.478 4.766 50 0 GJAARN COc1ccc(CSc2n[nH]c(-c3ccc(Br)cc3)n2)cc1F ZINC000006009158 570813862 /nfs/dbraw/zinc/81/38/62/570813862.db2.gz MHWBALSCLFUPOJ-UHFFFAOYSA-N 0 0 394.269 4.674 50 0 GJAARN CCOc1c2cc(NC(=O)c3ccccc3OCC)ccc2sc1C(=O)OC ZINC000033123412 570815352 /nfs/dbraw/zinc/81/53/52/570815352.db2.gz BXWXQTXCVRVEPA-UHFFFAOYSA-N 0 0 399.468 4.738 50 0 GJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000004496219 570816413 /nfs/dbraw/zinc/81/64/13/570816413.db2.gz AORYXKKIBVIVPK-UHFFFAOYSA-N 0 0 395.480 4.590 50 0 GJAARN O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccco1)Cc1cccs1 ZINC000007217252 570817337 /nfs/dbraw/zinc/81/73/37/570817337.db2.gz DMLSTAFCXRSVAY-UHFFFAOYSA-N 0 0 383.494 4.885 50 0 GJAARN COc1cccc(NC(=O)[C@@H](Nc2ccc(OC)c(OC)c2)c2ccccc2)c1 ZINC000007239389 570819879 /nfs/dbraw/zinc/81/98/79/570819879.db2.gz GGAWXHVEWVPNEW-QFIPXVFZSA-N 0 0 392.455 4.504 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033129570 570819899 /nfs/dbraw/zinc/81/98/99/570819899.db2.gz DJGFPMZFOCEFPP-UHFFFAOYSA-N 0 0 383.407 4.859 50 0 GJAARN O=C(NCc1ccccn1)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000004675455 570821175 /nfs/dbraw/zinc/82/11/75/570821175.db2.gz 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570825562 /nfs/dbraw/zinc/82/55/62/570825562.db2.gz HQNLCZAOVCSTOS-UHFFFAOYSA-N 0 0 390.468 4.535 50 0 GJAARN CC(C)c1cc(C(=O)NCc2nccc3ccccc32)c2cnn(C(C)C)c2n1 ZINC000012517284 570826138 /nfs/dbraw/zinc/82/61/38/570826138.db2.gz QFBJLVUXBPZSCK-UHFFFAOYSA-N 0 0 387.487 4.614 50 0 GJAARN CCCNC(=O)c1ccc(Oc2nccnc2Sc2ccc(C)cc2)cc1 ZINC000033139947 570826429 /nfs/dbraw/zinc/82/64/29/570826429.db2.gz XTYKBKFKTLHWKN-UHFFFAOYSA-N 0 0 379.485 4.868 50 0 GJAARN O=c1[nH]c2ccccc2cc1C=NNc1nc2ccccc2c(-c2ccccc2)n1 ZINC000253618409 570827114 /nfs/dbraw/zinc/82/71/14/570827114.db2.gz AVDXSIKDEJGZOF-UHFFFAOYSA-N 0 0 391.434 4.997 50 0 GJAARN C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000001982782 570827953 /nfs/dbraw/zinc/82/79/53/570827953.db2.gz FCGBYWTZJINUJO-OAHLLOKOSA-N 0 0 379.387 4.802 50 0 GJAARN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1c1cccs1 ZINC000007310033 570828270 /nfs/dbraw/zinc/82/82/70/570828270.db2.gz JFGAUSYTAVCJHW-GFCCVEGCSA-N 0 0 395.855 4.946 50 0 GJAARN CCc1nc(SC[C@@H](O)c2ccccc2)nc(N)c1-c1ccc(Cl)cc1 ZINC000012521599 570828332 /nfs/dbraw/zinc/82/83/32/570828332.db2.gz KSEXYBDZBHMTCU-QGZVFWFLSA-N 0 0 385.920 4.767 50 0 GJAARN CCc1sc(C(=O)NCC(=O)Nc2ccccc2-c2cccs2)cc1C ZINC000032809344 570831881 /nfs/dbraw/zinc/83/18/81/570831881.db2.gz ODXZFJGSMXRPEO-UHFFFAOYSA-N 0 0 384.526 4.716 50 0 GJAARN CC(=O)N1CCc2cc(C(=O)Nc3ccc(OCC(C)C)c(Cl)c3)ccc21 ZINC000032809472 570831919 /nfs/dbraw/zinc/83/19/19/570831919.db2.gz MKIILNDNYAGLSE-UHFFFAOYSA-N 0 0 386.879 4.536 50 0 GJAARN Cc1ccc(-c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)cc1C ZINC000071315740 570832440 /nfs/dbraw/zinc/83/24/40/570832440.db2.gz YDZKMGHCMNHVFM-UHFFFAOYSA-N 0 0 376.504 4.505 50 0 GJAARN O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1c(Cl)nc2ccccn21 ZINC000065548690 570832861 /nfs/dbraw/zinc/83/28/61/570832861.db2.gz NEGMNVXDVKDZFF-UHFFFAOYSA-N 0 0 395.821 4.958 50 0 GJAARN O=C(CN1CCSc2ccccc21)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007355578 570833239 /nfs/dbraw/zinc/83/32/39/570833239.db2.gz MDTWNWWPLIQKNO-NRFANRHFSA-N 0 0 398.528 4.705 50 0 GJAARN O=C(CSc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007361552 570833742 /nfs/dbraw/zinc/83/37/42/570833742.db2.gz GQKKOMLGLFRSCM-AWEZNQCLSA-N 0 0 386.517 4.934 50 0 GJAARN CC(=O)c1cccc(NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033168937 570834029 /nfs/dbraw/zinc/83/40/29/570834029.db2.gz YVQHEKFQJDJFNA-UHFFFAOYSA-N 0 0 395.509 4.561 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c3ccccc3[nH]c21 ZINC000033172419 570837091 /nfs/dbraw/zinc/83/70/91/570837091.db2.gz BEAZDLUKCVCAKH-UHFFFAOYSA-N 0 0 382.876 4.804 50 0 GJAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2Cc2ccccc2)CC1=O ZINC000007398686 570837066 /nfs/dbraw/zinc/83/70/66/570837066.db2.gz NTUAZVSOGCTOPV-AUSIDOKSSA-N 0 0 398.506 4.826 50 0 GJAARN CC1=NN(c2ccc(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc2)CC1 ZINC000065588810 570837382 /nfs/dbraw/zinc/83/73/82/570837382.db2.gz IQHORAYEIRKBFS-UHFFFAOYSA-N 0 0 383.451 4.756 50 0 GJAARN Cc1ccc2nc(CSCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cn2c1 ZINC000012538813 570838088 /nfs/dbraw/zinc/83/80/88/570838088.db2.gz HTRQORRNHQYAPJ-DNBYOKIBSA-N 0 0 397.588 4.597 50 0 GJAARN CC1CCC(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)CC1 ZINC000033170753 570839086 /nfs/dbraw/zinc/83/90/86/570839086.db2.gz YMYVLPLVGAEGAN-UHFFFAOYSA-N 0 0 394.519 4.568 50 0 GJAARN Cc1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)c1 ZINC000033170766 570839105 /nfs/dbraw/zinc/83/91/05/570839105.db2.gz SAKNQQDUEUMABF-UHFFFAOYSA-N 0 0 388.471 4.820 50 0 GJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]1CCCC1=N2 ZINC000101946581 570839198 /nfs/dbraw/zinc/83/91/98/570839198.db2.gz BQMVCBJOJHWXKG-SFHVURJKSA-N 0 0 389.499 4.778 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)CN1c2ccccc2N=C2CCC[C@@H]2C1=O ZINC000101946966 570839224 /nfs/dbraw/zinc/83/92/24/570839224.db2.gz OMNWYXJLTUKHQU-HNNXBMFYSA-N 0 0 381.863 4.506 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C)s1)CC2 ZINC000003225646 570839559 /nfs/dbraw/zinc/83/95/59/570839559.db2.gz UXECZSMLICNMAR-HXUWFJFHSA-N 0 0 399.537 4.923 50 0 GJAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000004694707 570840902 /nfs/dbraw/zinc/84/09/02/570840902.db2.gz RKMHUHNGNXSWMW-OAHLLOKOSA-N 0 0 387.741 4.657 50 0 GJAARN C/C=C/c1ccc(OCCCn2c3ccccc3nc2[C@H](O)CC)c(OC)c1 ZINC000007425468 570841629 /nfs/dbraw/zinc/84/16/29/570841629.db2.gz XCEQAUJTPZUSDZ-CWFIWJMMSA-N 0 0 380.488 4.991 50 0 GJAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1nc2ccccc2s1 ZINC000043939701 570842023 /nfs/dbraw/zinc/84/20/23/570842023.db2.gz AVJCLOVAKZRUAA-UHFFFAOYSA-N 0 0 396.472 4.620 50 0 GJAARN O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000004523177 570842723 /nfs/dbraw/zinc/84/27/23/570842723.db2.gz FKJVQHHCRRPTJP-UHFFFAOYSA-N 0 0 393.858 4.606 50 0 GJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cc(C)ccc1OC ZINC000102201096 570842899 /nfs/dbraw/zinc/84/28/99/570842899.db2.gz MLEAVIUNAAMBIR-UHFFFAOYSA-N 0 0 381.432 4.576 50 0 GJAARN CC(=O)Nc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 ZINC000003258102 570843284 /nfs/dbraw/zinc/84/32/84/570843284.db2.gz 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570847673 /nfs/dbraw/zinc/84/76/73/570847673.db2.gz XXGGPWNPZFTBLO-HXUWFJFHSA-N 0 0 386.517 4.843 50 0 GJAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1 ZINC000102529181 570850073 /nfs/dbraw/zinc/85/00/73/570850073.db2.gz FBRAUHGJUCEDPW-UHFFFAOYSA-N 0 0 397.478 4.745 50 0 GJAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000032841734 570850251 /nfs/dbraw/zinc/85/02/51/570850251.db2.gz BFSNKQMUALMFGB-KRWDZBQOSA-N 0 0 381.303 4.855 50 0 GJAARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 ZINC000102584301 570852777 /nfs/dbraw/zinc/85/27/77/570852777.db2.gz ZLZFSDZPYCQIJJ-QGZVFWFLSA-N 0 0 384.505 4.706 50 0 GJAARN CCCC(=O)n1nc(NCc2ccc(C)cc2)nc1NCc1ccc(C)cc1 ZINC000004704920 570853806 /nfs/dbraw/zinc/85/38/06/570853806.db2.gz XHQXUKHQCAKHEB-UHFFFAOYSA-N 0 0 377.492 4.559 50 0 GJAARN COc1ccc(-c2csc(C3=C(N)N(CCc4ccccc4)CC3=O)n2)cc1 ZINC000102720656 570858580 /nfs/dbraw/zinc/85/85/80/570858580.db2.gz DWWMUPRZLQEHNW-UHFFFAOYSA-N 0 0 391.496 4.623 50 0 GJAARN COc1ccccc1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000102718611 570860388 /nfs/dbraw/zinc/86/03/88/570860388.db2.gz ULKCVKIWUZMFMF-UHFFFAOYSA-N 0 0 377.469 4.581 50 0 GJAARN CCOC(=O)CSCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000007506349 570860693 /nfs/dbraw/zinc/86/06/93/570860693.db2.gz JZIMQZREQITZFK-UHFFFAOYSA-N 0 0 395.933 4.726 50 0 GJAARN O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCc2ccccc21 ZINC000033252425 570860760 /nfs/dbraw/zinc/86/07/60/570860760.db2.gz DXCSXQUNQYYYOX-UHFFFAOYSA-N 0 0 385.398 4.746 50 0 GJAARN Cc1cc(C(=O)NCc2cccc(Cl)c2)c2cc(Br)ccc2n1 ZINC000033252811 570861285 /nfs/dbraw/zinc/86/12/85/570861285.db2.gz BRSDFFISCDYPRB-UHFFFAOYSA-N 0 0 389.680 4.889 50 0 GJAARN O=C(N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccco1 ZINC000012560058 570861636 /nfs/dbraw/zinc/86/16/36/570861636.db2.gz ASPIUVPWBJPFDY-QGZVFWFLSA-N 0 0 385.345 4.694 50 0 GJAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)C1=O ZINC000004724196 570862882 /nfs/dbraw/zinc/86/28/82/570862882.db2.gz 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570866392 /nfs/dbraw/zinc/86/63/92/570866392.db2.gz LEKUIOBLMBPCSS-SJLPKXTDSA-N 0 0 399.585 4.833 50 0 GJAARN Cc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1 ZINC000170610878 570867318 /nfs/dbraw/zinc/86/73/18/570867318.db2.gz VGRMHOWIOHAGFC-HNNXBMFYSA-N 0 0 387.505 4.776 50 0 GJAARN CCc1ccccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 ZINC000012563337 570868519 /nfs/dbraw/zinc/86/85/19/570868519.db2.gz WZQOHEZVUBYZFP-UHFFFAOYSA-N 0 0 377.513 4.682 50 0 GJAARN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1Cl ZINC000003441647 570869407 /nfs/dbraw/zinc/86/94/07/570869407.db2.gz AYYARCHZHMMKKM-UHFFFAOYSA-N 0 0 388.876 4.996 50 0 GJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 ZINC000072140612 570869840 /nfs/dbraw/zinc/86/98/40/570869840.db2.gz MZAIVFXZPDGLSE-UHFFFAOYSA-N 0 0 376.464 4.547 50 0 GJAARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612696 570870136 /nfs/dbraw/zinc/87/01/36/570870136.db2.gz AEEZDIWKMDZAAN-GOSISDBHSA-N 0 0 393.874 4.985 50 0 GJAARN O=C([O-])CCCCCC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000170612886 570870635 /nfs/dbraw/zinc/87/06/35/570870635.db2.gz YNYNYVXLMKICLL-UHFFFAOYSA-N 0 0 386.439 4.954 50 0 GJAARN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000102930088 570872301 /nfs/dbraw/zinc/87/23/01/570872301.db2.gz OCQPWGHGRUDGHX-OAHLLOKOSA-N 0 0 376.382 4.913 50 0 GJAARN COc1cccc(C)c1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000170614894 570872635 /nfs/dbraw/zinc/87/26/35/570872635.db2.gz IIKSHPCXIHOMNB-UHFFFAOYSA-N 0 0 390.468 4.565 50 0 GJAARN NC(=S)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005714641 570872817 /nfs/dbraw/zinc/87/28/17/570872817.db2.gz YQWXSPMWCMMZSR-IPTVCYETSA-N 0 0 383.467 4.805 50 0 GJAARN CC(C)(C)[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccco1 ZINC000170615610 570873433 /nfs/dbraw/zinc/87/34/33/570873433.db2.gz KJUMXHZLCNRAKX-INIZCTEOSA-N 0 0 375.266 4.707 50 0 GJAARN CN(C)c1ccc(-c2cc(-c3ccccc3)nn2[C@H]2C(=O)Nc3ccccc32)cc1 ZINC000103022197 570873638 /nfs/dbraw/zinc/87/36/38/570873638.db2.gz INGRWHMEMCZHCO-XMMPIXPASA-N 0 0 394.478 4.825 50 0 GJAARN COc1ccccc1C(=O)N1N=C(c2ccsc2)C[C@H]1c1ccccc1OC ZINC000170618111 570875586 /nfs/dbraw/zinc/87/55/86/570875586.db2.gz LICZRWYHYROUCX-IBGZPJMESA-N 0 0 392.480 4.757 50 0 GJAARN CCCCNc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1 ZINC000003626556 570879174 /nfs/dbraw/zinc/87/91/74/570879174.db2.gz DAXFGXQLSDXOQF-UHFFFAOYSA-N 0 0 385.475 4.739 50 0 GJAARN COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000170623593 570881733 /nfs/dbraw/zinc/88/17/33/570881733.db2.gz REOSXWZJEMAECT-UHFFFAOYSA-N 0 0 391.452 4.639 50 0 GJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)C1 ZINC000033264296 570882330 /nfs/dbraw/zinc/88/23/30/570882330.db2.gz RHEDRMSFHOVSAB-SFHVURJKSA-N 0 0 399.922 4.890 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000103437782 570884932 /nfs/dbraw/zinc/88/49/32/570884932.db2.gz YUOAFHGTTBLIGU-IERDGZPVSA-N 0 0 377.488 4.610 50 0 GJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COc1ccc(F)cc1 ZINC000012599983 570886450 /nfs/dbraw/zinc/88/64/50/570886450.db2.gz WYGIMJAAJQOQPA-UHFFFAOYSA-N 0 0 399.443 4.748 50 0 GJAARN CCOC(=O)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000012602806 570887143 /nfs/dbraw/zinc/88/71/43/570887143.db2.gz VXACMYPBIPNFCE-UHFFFAOYSA-N 0 0 391.471 4.599 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000012602110 570887382 /nfs/dbraw/zinc/88/73/82/570887382.db2.gz HJHZMUNPNDNIEI-SFHVURJKSA-N 0 0 379.847 4.648 50 0 GJAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC ZINC000071284445 570887900 /nfs/dbraw/zinc/88/79/00/570887900.db2.gz BKGYDVOMYHKOPY-SFHVURJKSA-N 0 0 387.505 4.997 50 0 GJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC ZINC000071284446 570887935 /nfs/dbraw/zinc/88/79/35/570887935.db2.gz BKGYDVOMYHKOPY-GOSISDBHSA-N 0 0 387.505 4.997 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2cccc(Oc3ncccn3)c2)S1 ZINC000071286164 570888385 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O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(Br)c1 ZINC000012618201 570891437 /nfs/dbraw/zinc/89/14/37/570891437.db2.gz DMTOEOCYMKYULU-UHFFFAOYSA-N 0 0 389.224 4.815 50 0 GJAARN COc1ccc2cc(CNc3ccc(C(=O)N4CCCC4)cc3)c(Cl)nc2c1 ZINC000042666618 570892331 /nfs/dbraw/zinc/89/23/31/570892331.db2.gz WMQGEHMUHQLPLB-UHFFFAOYSA-N 0 0 395.890 4.745 50 0 GJAARN COc1cccc(-c2nc(COC(=O)CCC(=O)c3ccc(F)cc3)cs2)c1 ZINC000006420451 570896001 /nfs/dbraw/zinc/89/60/01/570896001.db2.gz UFNAETNNBVBHAB-UHFFFAOYSA-N 0 0 399.443 4.664 50 0 GJAARN O=C(Nc1ccccc1N1CCOC1=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000299802337 570898078 /nfs/dbraw/zinc/89/80/78/570898078.db2.gz YZBRVWCFYBFTES-SFHVURJKSA-N 0 0 383.423 4.541 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000015323817 570898427 /nfs/dbraw/zinc/89/84/27/570898427.db2.gz PPKJLWMXNYITHB-UHFFFAOYSA-N 0 0 379.412 4.678 50 0 GJAARN Cc1sc2ccn(CC(C)C)c(=O)c2c1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000097138458 570898982 /nfs/dbraw/zinc/89/89/82/570898982.db2.gz 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ZINC000023141013 570917548 /nfs/dbraw/zinc/91/75/48/570917548.db2.gz OSYJJLNOULQVJG-UHFFFAOYSA-N 0 0 388.880 4.863 50 0 GJAARN Cc1ccccc1COc1cccc(/C=C2/N=C(c3cccs3)OC2=O)c1 ZINC000005748398 570920443 /nfs/dbraw/zinc/92/04/43/570920443.db2.gz WWLOSIBCHDXDPL-CPNJWEJPSA-N 0 0 375.449 4.980 50 0 GJAARN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(-c2ccccn2)c1C ZINC000122351352 570923691 /nfs/dbraw/zinc/92/36/91/570923691.db2.gz UEYIJBYQYKERSW-QGZVFWFLSA-N 0 0 384.483 4.918 50 0 GJAARN O=C(c1ccc(F)cc1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000004590238 570925440 /nfs/dbraw/zinc/92/54/40/570925440.db2.gz KTYMGENUAMPOCK-UHFFFAOYSA-N 0 0 385.826 4.549 50 0 GJAARN Cc1nnc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)s1 ZINC000004059658 570926632 /nfs/dbraw/zinc/92/66/32/570926632.db2.gz WRMYSPXRPJXJDV-UHFFFAOYSA-N 0 0 394.525 4.580 50 0 aggregator GJAARN Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3ccccc3)[nH]c2=O)o1 ZINC000170634369 570928673 /nfs/dbraw/zinc/92/86/73/570928673.db2.gz GNXQSJFVZXSUAV-FQEVSTJZSA-N 0 0 376.456 4.701 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000000935621 570930454 /nfs/dbraw/zinc/93/04/54/570930454.db2.gz CZYICRHMGLPPLW-AWEZNQCLSA-N 0 0 375.852 4.540 50 0 GJAARN CCOc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 ZINC000004078324 570930716 /nfs/dbraw/zinc/93/07/16/570930716.db2.gz FCTNPHABBDOAPM-UHFFFAOYSA-N 0 0 389.477 4.621 50 0 GJAARN Cc1cccn2cc(COC(=O)c3c4ccccc4nc4c3C[C@H](C)CC4)nc12 ZINC000012629370 570931536 /nfs/dbraw/zinc/93/15/36/570931536.db2.gz IODVWLLGFYOIGO-OAHLLOKOSA-N 0 0 385.467 4.673 50 0 GJAARN COc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(C)cc3)C(=O)O2)cc1 ZINC000002818894 570933288 /nfs/dbraw/zinc/93/32/88/570933288.db2.gz DTXLUKRUTOAKSW-PXLXIMEGSA-N 0 0 399.446 4.927 50 0 GJAARN Cc1nn2c(ncc(-c3ccc(Br)cc3)c2N)c1-c1ccccc1 ZINC000105893541 570933488 /nfs/dbraw/zinc/93/34/88/570933488.db2.gz BDTLBILCSRANJN-UHFFFAOYSA-N 0 0 379.261 4.547 50 0 GJAARN COc1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)n[nH]2)c1 ZINC000046914098 570936563 /nfs/dbraw/zinc/93/65/63/570936563.db2.gz XTZHSKJVHRGFIS-UHFFFAOYSA-N 0 0 386.333 4.821 50 0 GJAARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NCC1CCCC1 ZINC000047013552 570938764 /nfs/dbraw/zinc/93/87/64/570938764.db2.gz LUOFDEIPLZSMSQ-KRWDZBQOSA-N 0 0 379.504 4.832 50 0 GJAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)/C=C\c2cccc(F)c2)c2ccccc21 ZINC000110570543 570940150 /nfs/dbraw/zinc/94/01/50/570940150.db2.gz AZZXXUGEKOQVPT-DVRJTKSISA-N 0 0 394.490 4.663 50 0 GJAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000007720748 570940986 /nfs/dbraw/zinc/94/09/86/570940986.db2.gz OIFHIROZFSXYBP-UHFFFAOYSA-N 0 0 383.451 4.605 50 0 GJAARN O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1Cl ZINC000032930595 570944206 /nfs/dbraw/zinc/94/42/06/570944206.db2.gz QHJYMKVFEYCMIH-UHFFFAOYSA-N 0 0 387.266 4.897 50 0 GJAARN O=C(CSc1nccn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000002468157 570946143 /nfs/dbraw/zinc/94/61/43/570946143.db2.gz NYDRQGNPWDWHSQ-UHFFFAOYSA-N 0 0 393.390 4.502 50 0 GJAARN C[C@H](NC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1 ZINC000032933016 570946196 /nfs/dbraw/zinc/94/61/96/570946196.db2.gz XRTLDNAKGLMFQV-INIZCTEOSA-N 0 0 391.446 4.638 50 0 GJAARN CCc1ccc(CNC(=O)c2ccc(C)c(-n3c(C)nc4cccnc43)c2)cc1 ZINC000032932036 570946359 /nfs/dbraw/zinc/94/63/59/570946359.db2.gz JKLWRVKXLSUBKG-UHFFFAOYSA-N 0 0 384.483 4.530 50 0 GJAARN C[C@@H](NC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000032931941 570946366 /nfs/dbraw/zinc/94/63/66/570946366.db2.gz BXJNYTCIYBOTSQ-WBMJQRKESA-N 0 0 397.828 4.600 50 0 GJAARN CCNC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000033272066 570947612 /nfs/dbraw/zinc/94/76/12/570947612.db2.gz NLSUQKLCGTYXIR-UHFFFAOYSA-N 0 0 389.405 4.992 50 0 GJAARN C[C@@H](NC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000043759731 570949838 /nfs/dbraw/zinc/94/98/38/570949838.db2.gz GWVPTHDAQLEMFV-CUXKMMBLSA-N 0 0 385.389 4.782 50 0 GJAARN CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000113651353 570953385 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c1ccc(-c2nc(N=NCc3ccc4nccnc4c3)nc3ccccc32)cc1 ZINC000252452688 570958840 /nfs/dbraw/zinc/95/88/40/570958840.db2.gz WMKFMWSDHQFXPP-UHFFFAOYSA-N 0 0 376.423 4.686 50 0 GJAARN COC(=O)[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 ZINC000004747492 570958997 /nfs/dbraw/zinc/95/89/97/570958997.db2.gz JSHBNZSVAYLBJK-HXUWFJFHSA-N 0 0 398.842 4.618 50 0 GJAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccccc1F ZINC000032103719 570960550 /nfs/dbraw/zinc/96/05/50/570960550.db2.gz HCACARAEEJREIS-INIZCTEOSA-N 0 0 398.825 4.823 50 0 GJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NC1CCCCC1 ZINC000033290121 570960877 /nfs/dbraw/zinc/96/08/77/570960877.db2.gz NDDXUTOXQBWEDL-UHFFFAOYSA-N 0 0 384.592 4.914 50 0 GJAARN CCCCn1c(C)c(C(=O)c2ccccc2)c2cc(OCC(=O)OCC)ccc21 ZINC000025186051 570962485 /nfs/dbraw/zinc/96/24/85/570962485.db2.gz HAYOBVZZJAQVLI-UHFFFAOYSA-N 0 0 393.483 4.923 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2cc3cc(F)ccc3s2)C2CC2)c1 ZINC000025807939 570964852 /nfs/dbraw/zinc/96/48/52/570964852.db2.gz 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CC(=O)c1csc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000083862104 570974121 /nfs/dbraw/zinc/97/41/21/570974121.db2.gz IGYBHPVFISTBSB-UHFFFAOYSA-N 0 0 382.407 4.815 50 0 GJAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000252498341 570976553 /nfs/dbraw/zinc/97/65/53/570976553.db2.gz QZDXVMZISGLOQO-OAHLLOKOSA-N 0 0 394.397 4.772 50 0 GJAARN Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1 ZINC000033320573 570976819 /nfs/dbraw/zinc/97/68/19/570976819.db2.gz HHDPGCWVINAZPB-UHFFFAOYSA-N 0 0 382.467 4.617 50 0 GJAARN COc1cccc(Nc2nnc(SCC(=O)c3c[nH]c4ccccc43)s2)c1 ZINC000004541274 570977360 /nfs/dbraw/zinc/97/73/60/570977360.db2.gz MAHNNRHYRDEWGT-UHFFFAOYSA-N 0 0 396.497 4.747 50 0 GJAARN Cc1cc(C)n([C@H](CNC(=O)c2ccccc2C(F)(F)F)c2cccs2)n1 ZINC000585148160 570981319 /nfs/dbraw/zinc/98/13/19/570981319.db2.gz SCTJJZCSXDCCGH-MRXNPFEDSA-N 0 0 393.434 4.600 50 0 GJAARN COc1ccc(C2=CCN(C(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1 ZINC000083943697 570981330 /nfs/dbraw/zinc/98/13/30/570981330.db2.gz 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ZINC000170650607 570985348 /nfs/dbraw/zinc/98/53/48/570985348.db2.gz KJLGXRCRAVAVHR-QMTYFTJSSA-N 0 0 378.469 4.614 50 0 GJAARN O=C(NCC1(c2ccccc2)CCC1)c1cccnc1Nc1cccc(F)c1 ZINC000045042011 570985991 /nfs/dbraw/zinc/98/59/91/570985991.db2.gz ATMPMFYLWIXJNT-UHFFFAOYSA-N 0 0 375.447 4.816 50 0 GJAARN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000083980053 570987109 /nfs/dbraw/zinc/98/71/09/570987109.db2.gz IKIGXECOJGUXQF-OAHLLOKOSA-N 0 0 381.369 4.700 50 0 GJAARN CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccccc2)c1 ZINC000001165161 570987486 /nfs/dbraw/zinc/98/74/86/570987486.db2.gz ZSDOPGCQKBEQLO-HSZRJFAPSA-N 0 0 387.435 4.734 50 0 GJAARN NC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2cc(F)ccc2SC3)cc1 ZINC000045163254 570987731 /nfs/dbraw/zinc/98/77/31/570987731.db2.gz LKIGZNHZWHPKSP-UHFFFAOYSA-N 0 0 384.457 4.511 50 0 GJAARN Cc1noc(C)c1CNC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000084023518 570990839 /nfs/dbraw/zinc/99/08/39/570990839.db2.gz SETBECWIGZEFFE-UHFFFAOYSA-N 0 0 395.406 4.672 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)Cc1ccsc1 ZINC000084019824 570991225 /nfs/dbraw/zinc/99/12/25/570991225.db2.gz AFKLECIJJVZEMN-SNVBAGLBSA-N 0 0 378.856 4.865 50 0 GJAARN Cc1nc2ccccc2nc1COC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000084057546 570992135 /nfs/dbraw/zinc/99/21/35/570992135.db2.gz GPTSFZFNRGZGRU-HUUCEWRRSA-N 0 0 386.373 4.804 50 0 GJAARN CC(C)CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1cccc(Cl)c1 ZINC000004795190 570993805 /nfs/dbraw/zinc/99/38/05/570993805.db2.gz MUKXQONWWLPCOU-CYBMUJFWSA-N 0 0 387.958 4.658 50 0 GJAARN Cc1cccc2c(C)cc(SCC(=O)Nc3nnc(-c4ccccc4)o3)nc12 ZINC000004801432 570995181 /nfs/dbraw/zinc/99/51/81/570995181.db2.gz FXWSOKWQISOLOS-UHFFFAOYSA-N 0 0 390.468 4.632 50 0 GJAARN Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c(C)n1Cc1ccco1 ZINC000084080236 570996196 /nfs/dbraw/zinc/99/61/96/570996196.db2.gz PDFLPFJMIQYMIS-JOCHJYFZSA-N 0 0 379.504 4.842 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)c12 ZINC000084083202 570996608 /nfs/dbraw/zinc/99/66/08/570996608.db2.gz OIFABQDZIDZJBP-UHFFFAOYSA-N 0 0 378.259 4.509 50 0 GJAARN CCn1c2ccccc2nc1C(O)(c1nc2ccccc2n1CC)c1ccccc1 ZINC000004811338 570998852 /nfs/dbraw/zinc/99/88/52/570998852.db2.gz LSLKQUPAYFKAJI-UHFFFAOYSA-N 0 0 396.494 4.710 50 0 GJAARN CC(C)(C)SCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012750161 570998898 /nfs/dbraw/zinc/99/88/98/570998898.db2.gz NTTUYEBJFVMXOL-UHFFFAOYSA-N 0 0 397.519 4.826 50 0 GJAARN Cc1[nH]c(=O)c(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1-c1ccccc1 ZINC000170654046 570998940 /nfs/dbraw/zinc/99/89/40/570998940.db2.gz BVAILFRNHWFTJO-HXUWFJFHSA-N 0 0 376.456 4.701 50 0 GJAARN Cc1cc(N)nc(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000084114579 570999355 /nfs/dbraw/zinc/99/93/55/570999355.db2.gz ABHFMCWXPZXYHB-CYBMUJFWSA-N 0 0 394.525 4.677 50 0 GJAARN O=C(Nc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1)c1ccccc1 ZINC000019542461 571000243 /nfs/dbraw/zinc/00/02/43/571000243.db2.gz VVVMHRMGSNGTFL-GOSISDBHSA-N 0 0 379.485 4.653 50 0 GJAARN O=C1O[C@H](Nc2nc(-c3cccc(Br)c3)cs2)c2ccccc21 ZINC000002203338 571002445 /nfs/dbraw/zinc/00/24/45/571002445.db2.gz WVFDLEJTZGUQFJ-HNNXBMFYSA-N 0 0 387.258 4.854 50 0 GJAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000045941754 571003511 /nfs/dbraw/zinc/00/35/11/571003511.db2.gz LBJYTUKGLZUXOI-QHCPKHFHSA-N 0 0 385.463 4.791 50 0 GJAARN Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)Cc3ccccc3)cc(=O)c2c1 ZINC000002205833 571004259 /nfs/dbraw/zinc/00/42/59/571004259.db2.gz JNAZISWWCAMXSO-UHFFFAOYSA-N 0 0 387.435 4.845 50 0 GJAARN Cc1nc(C)c(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)o1 ZINC000170669084 571007497 /nfs/dbraw/zinc/00/74/97/571007497.db2.gz GWBSIKLBGUACJB-UHFFFAOYSA-N 0 0 379.272 4.960 50 0 GJAARN COc1ccccc1-c1nc(CN(C)CC(=O)Nc2cccc(C)c2C)cs1 ZINC000012758318 571007533 /nfs/dbraw/zinc/00/75/33/571007533.db2.gz NFTZGKDBQZXXCC-UHFFFAOYSA-N 0 0 395.528 4.506 50 0 GJAARN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccc(C)cc4)n[nH]3)C2)cc1 ZINC000091451956 571008591 /nfs/dbraw/zinc/00/85/91/571008591.db2.gz 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ZINC000046044653 571014556 /nfs/dbraw/zinc/01/45/56/571014556.db2.gz WUKDPARHOWWSKK-MRXNPFEDSA-N 0 0 390.405 4.505 50 0 GJAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c1 ZINC000046045433 571014673 /nfs/dbraw/zinc/01/46/73/571014673.db2.gz LFSMBKZDSSUECB-QGZVFWFLSA-N 0 0 384.907 4.756 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000012766166 571015966 /nfs/dbraw/zinc/01/59/66/571015966.db2.gz CWOAZPRKTFRDRE-UHFFFAOYSA-N 0 0 375.403 4.613 50 0 GJAARN Cc1nc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2nc1C ZINC000012766066 571016065 /nfs/dbraw/zinc/01/60/65/571016065.db2.gz FAOIJLOQQYHYER-IBGZPJMESA-N 0 0 388.496 4.834 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)c1 ZINC000046046728 571016119 /nfs/dbraw/zinc/01/61/19/571016119.db2.gz RALJIDLXSPZBSV-UHFFFAOYSA-N 0 0 399.244 4.867 50 0 GJAARN Cc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)c(C)s1 ZINC000046056383 571016443 /nfs/dbraw/zinc/01/64/43/571016443.db2.gz BLHVEOXSFJNCLM-INIZCTEOSA-N 0 0 399.903 4.821 50 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Cc1cccc(C)c1NC(=O)Nc1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000001391183 212241519 /nfs/dbraw/zinc/24/15/19/212241519.db2.gz MDBWOWOHPPDZJM-UHFFFAOYSA-N 0 0 381.863 4.811 50 0 GJAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(F)cc1 ZINC000001382149 212241539 /nfs/dbraw/zinc/24/15/39/212241539.db2.gz LXWDEBUWJGXSLE-UHFFFAOYSA-N 0 0 388.229 4.886 50 0 GJAARN O=C(Nc1ccccc1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001324211 212235583 /nfs/dbraw/zinc/23/55/83/212235583.db2.gz UBGBGQLHROAMNM-UHFFFAOYSA-N 0 0 386.908 4.694 50 0 GJAARN CCOc1ccc(NC(=O)Nc2nnc(COc3ccc(CC)cc3)s2)cc1 ZINC000001236858 212232085 /nfs/dbraw/zinc/23/20/85/212232085.db2.gz WMCMSEMUHFIHPQ-UHFFFAOYSA-N 0 0 398.488 4.722 50 0 GJAARN O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000001212375 212229166 /nfs/dbraw/zinc/22/91/66/212229166.db2.gz XYQGPJXDRFPJAM-UHFFFAOYSA-N 0 0 389.274 4.590 50 0 GJAARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000001193710 212228292 /nfs/dbraw/zinc/22/82/92/212228292.db2.gz IWMRRWRZWMNADE-BKUYFWCQSA-N 0 0 391.373 4.888 50 0 GJAARN O[C@@H](CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 ZINC000009968079 212236735 /nfs/dbraw/zinc/23/67/35/212236735.db2.gz XAHQSBAPGTTWEJ-FQEVSTJZSA-N 0 0 391.471 4.899 50 0 GJAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000001188435 212227358 /nfs/dbraw/zinc/22/73/58/212227358.db2.gz XRFNBKOKYAYSHZ-UHFFFAOYSA-N 0 0 393.490 4.864 50 0 GJAARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000001177120 212225944 /nfs/dbraw/zinc/22/59/44/212225944.db2.gz GZJXYIWXUSKIAT-UHFFFAOYSA-N 0 0 393.512 4.858 50 0 GJAARN Cc1ccc2nc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)sc2c1 ZINC000001174513 212225203 /nfs/dbraw/zinc/22/52/03/212225203.db2.gz FZOGMIULPUVPDY-UHFFFAOYSA-N 0 0 385.514 4.519 50 0 aggregator GJAARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000001174111 212225252 /nfs/dbraw/zinc/22/52/52/212225252.db2.gz HHNJJCJKMIOFDQ-UHFFFAOYSA-N 0 0 397.525 4.724 50 0 GJAARN Cc1cc(OCC(=O)OC(C)(C)C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000001174817 212224682 /nfs/dbraw/zinc/22/46/82/212224682.db2.gz KVRTVVUREGWXOH-UHFFFAOYSA-N 0 0 394.467 4.721 50 0 GJAARN COc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1Cl ZINC000001159494 212224179 /nfs/dbraw/zinc/22/41/79/212224179.db2.gz BOYGUHLBRQHINE-UHFFFAOYSA-N 0 0 398.684 4.745 50 0 GJAARN CCOc1cc(C(=O)N[C@@H](C)CCc2ccccc2)cc(OCC)c1OCC ZINC000001151216 212223612 /nfs/dbraw/zinc/22/36/12/212223612.db2.gz QYMHJJGFZPDQFJ-KRWDZBQOSA-N 0 0 385.504 4.634 50 0 GJAARN CC(C)CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1NC(=O)CC(C)C ZINC000001144342 212222666 /nfs/dbraw/zinc/22/26/66/212222666.db2.gz RSLVASAAILDDLE-UHFFFAOYSA-N 0 0 380.488 4.887 50 0 GJAARN c1sc2ncnc(NCc3ccccc3)c2c1[C@H]1COc2ccccc2O1 ZINC000001110546 212217546 /nfs/dbraw/zinc/21/75/46/212217546.db2.gz AGVBRFMXEUZIPW-GOSISDBHSA-N 0 0 375.453 4.816 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000001092981 212216990 /nfs/dbraw/zinc/21/69/90/212216990.db2.gz AFIKJLLECSYZEE-QQNJPBSNSA-N 0 0 379.459 4.647 50 0 GJAARN CSc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000001098811 212216399 /nfs/dbraw/zinc/21/63/99/212216399.db2.gz VSDNLKZLYJOUMF-NRFANRHFSA-N 0 0 396.537 4.724 50 0 GJAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)cc3)c(Cl)cc12 ZINC000001118114 212218979 /nfs/dbraw/zinc/21/89/79/212218979.db2.gz BBZYASIUBQDZLQ-UHFFFAOYSA-N 0 0 385.847 4.725 50 0 GJAARN CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccnc1 ZINC000001119595 212218951 /nfs/dbraw/zinc/21/89/51/212218951.db2.gz YGPVJHVEJADRMP-UHFFFAOYSA-N 0 0 393.299 4.642 50 0 GJAARN CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)CSc3ccccc3)cc21 ZINC000001107104 212218318 /nfs/dbraw/zinc/21/83/18/212218318.db2.gz ALQSVSOEKSVXKT-UHFFFAOYSA-N 0 0 397.496 4.844 50 0 GJAARN CCOC(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n2ccc(C)cc12 ZINC000001095028 212216155 /nfs/dbraw/zinc/21/61/55/212216155.db2.gz SEQJTXZDPSFHAV-UHFFFAOYSA-N 0 0 390.361 4.696 50 0 GJAARN COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000001083491 212215348 /nfs/dbraw/zinc/21/53/48/212215348.db2.gz 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212212505 /nfs/dbraw/zinc/21/25/05/212212505.db2.gz DYTUMNCSQWFTKO-UHFFFAOYSA-N 0 0 377.893 4.739 50 0 GJAARN O=C(CSc1nnnn1-c1cccc2ccccc21)c1ccc2ccccc2c1 ZINC000001045708 212209301 /nfs/dbraw/zinc/20/93/01/212209301.db2.gz GJJQNXRKSPMHNQ-UHFFFAOYSA-N 0 0 396.475 4.944 50 0 GJAARN O=C(Oc1c2cccc3c2n(c(=O)c1-c1ccccc1)CCC3)c1ccccc1 ZINC000001036083 212208797 /nfs/dbraw/zinc/20/87/97/212208797.db2.gz LEYCUCIUEZSRFG-UHFFFAOYSA-N 0 0 381.431 4.834 50 0 GJAARN CS(=O)(=O)c1sc(C(=O)Sc2ccc(Cl)cc2)c2c1C=CCC2 ZINC000001038064 212208839 /nfs/dbraw/zinc/20/88/39/212208839.db2.gz DGUPHCSPEOXZBT-UHFFFAOYSA-N 0 0 384.931 4.697 50 0 GJAARN COc1ccc(CCNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1OC ZINC000001041890 212208178 /nfs/dbraw/zinc/20/81/78/212208178.db2.gz MOAOUKCWTGNVMC-UHFFFAOYSA-N 0 0 385.316 4.540 50 0 GJAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000001032686 212207064 /nfs/dbraw/zinc/20/70/64/212207064.db2.gz WREKOHDLUHBMGX-UHFFFAOYSA-N 0 0 375.896 4.663 50 0 GJAARN Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1-c1ccc(F)cc1 ZINC000001053356 212210923 /nfs/dbraw/zinc/21/09/23/212210923.db2.gz ZYUHQVCJWRZPHS-UHFFFAOYSA-N 0 0 394.880 4.929 50 0 GJAARN CCc1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O ZINC000000959591 212199922 /nfs/dbraw/zinc/19/99/22/212199922.db2.gz YQWZIWNWLGUWDR-UHFFFAOYSA-N 0 0 376.364 4.960 50 0 GJAARN CC(C)OC(=O)c1ccc(Nc2ncnc3ccc(Br)cc32)cc1 ZINC000000951930 212199805 /nfs/dbraw/zinc/19/98/05/212199805.db2.gz BHKBOACOYSSQML-UHFFFAOYSA-N 0 0 386.249 4.701 50 0 GJAARN CC[C@H](C)OC(=O)COc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000957128 212199325 /nfs/dbraw/zinc/19/93/25/212199325.db2.gz XQTPLBGNXAGBOT-INIZCTEOSA-N 0 0 396.439 4.923 50 0 GJAARN Cc1cc(C)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)c(C)c1 ZINC000000944465 212198974 /nfs/dbraw/zinc/19/89/74/212198974.db2.gz GGXDJNVUYKWESR-UHFFFAOYSA-N 0 0 399.493 4.734 50 0 GJAARN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000948950 212198314 /nfs/dbraw/zinc/19/83/14/212198314.db2.gz SFGVMJRHTPQJRX-GOSISDBHSA-N 0 0 396.439 4.923 50 0 GJAARN O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1c1ccccc1 ZINC000000872989 212192234 /nfs/dbraw/zinc/19/22/34/212192234.db2.gz OQRONRHMIXJLBO-ATVHPVEESA-N 0 0 380.856 4.862 50 0 GJAARN Cc1ccc(NCc2nnc(SCC(=O)Oc3c(C)cccc3C)o2)c(C)c1 ZINC000000870441 212191732 /nfs/dbraw/zinc/19/17/32/212191732.db2.gz JKZDWZSXVAJJBX-UHFFFAOYSA-N 0 0 397.500 4.613 50 0 GJAARN Cc1ccc(C)c(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000853643 212190181 /nfs/dbraw/zinc/19/01/81/212190181.db2.gz RQSNHHDTTITRNL-UHFFFAOYSA-N 0 0 383.542 4.918 50 0 GJAARN CCOc1cc(-c2nc(-c3ccc(OC)cc3)no2)cc(OCC)c1OCC ZINC000000800334 212182135 /nfs/dbraw/zinc/18/21/35/212182135.db2.gz BLQPXIARKNRUJJ-UHFFFAOYSA-N 0 0 384.432 4.608 50 0 GJAARN COc1ccc(C(=O)CSc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000000783250 212181698 /nfs/dbraw/zinc/18/16/98/212181698.db2.gz QAQVMIQMGDZZCX-UHFFFAOYSA-N 0 0 384.526 4.862 50 0 GJAARN CCC(=O)Oc1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC ZINC000000804892 212183919 /nfs/dbraw/zinc/18/39/19/212183919.db2.gz XEIGLCLYMYRBMY-QGZVFWFLSA-N 0 0 375.424 4.638 50 0 GJAARN O=C(Nc1ccc(NC(=O)c2cccnc2Cl)cc1)c1cccc(Cl)c1 ZINC000000803485 212182538 /nfs/dbraw/zinc/18/25/38/212182538.db2.gz GBEJOTWCFQGPMC-UHFFFAOYSA-N 0 0 386.238 4.893 50 0 GJAARN CCOC(=O)c1sc2nc(C)nc(Nc3cc(Cl)ccc3OC)c2c1C ZINC000000755376 212179084 /nfs/dbraw/zinc/17/90/84/212179084.db2.gz HWPNHHHOZVNLRC-UHFFFAOYSA-N 0 0 391.880 4.890 50 0 GJAARN Cc1ccc(-c2nn(-c3cc(Cl)ccc3N)c(=O)c3ccccc32)cc1C ZINC000000712857 212176722 /nfs/dbraw/zinc/17/67/22/212176722.db2.gz ZKKICPDAWIUWSY-UHFFFAOYSA-N 0 0 375.859 4.905 50 0 GJAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1C ZINC000000714086 212176672 /nfs/dbraw/zinc/17/66/72/212176672.db2.gz RYONNDPMDXKLEE-ZCOIRKDISA-N 0 0 393.486 4.874 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)CSCc2cccc(Br)c2)cc1 ZINC000000754772 212179553 /nfs/dbraw/zinc/17/95/53/212179553.db2.gz IGMIJEZDPHQYSB-CYBMUJFWSA-N 0 0 394.334 4.568 50 0 GJAARN Cc1c(Cc2ccccc2)sc(NC(=S)Nc2ccc(F)cc2)c1C(N)=O ZINC000000672069 212172076 /nfs/dbraw/zinc/17/20/76/212172076.db2.gz BILMRLDXFDDBAS-UHFFFAOYSA-N 0 0 399.516 4.694 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)NCc4cccc(Cl)c4)c(N)c3cc2C1 ZINC000000661736 212171536 /nfs/dbraw/zinc/17/15/36/212171536.db2.gz FKLDAMCNCVRCFG-GFCCVEGCSA-N 0 0 399.947 4.977 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1 ZINC000000661887 212171304 /nfs/dbraw/zinc/17/13/04/212171304.db2.gz RNCFVPVQGJGUJX-GFCCVEGCSA-N 0 0 399.947 4.977 50 0 GJAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(C)=O)cc4)c(N)c3cc2C1 ZINC000000661962 212171021 /nfs/dbraw/zinc/17/10/21/212171021.db2.gz KIHRNLOBSDNEAM-CYBMUJFWSA-N 0 0 393.512 4.848 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)c4cc(OC)ccc4OC)c(N)c3cc2C1 ZINC000000661979 212170737 /nfs/dbraw/zinc/17/07/37/212170737.db2.gz ZRJQLWFGAJIOQI-LBPRGKRZSA-N 0 0 396.512 4.642 50 0 GJAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C ZINC000000664122 212170532 /nfs/dbraw/zinc/17/05/32/212170532.db2.gz WFLMJDUCLYVCQZ-UHFFFAOYSA-N 0 0 394.544 4.894 50 0 GJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2F)n1)CCCC3 ZINC000000706856 212175189 /nfs/dbraw/zinc/17/51/89/212175189.db2.gz HWPLRAXKGIEZOL-UHFFFAOYSA-N 0 0 387.505 4.748 50 0 GJAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1Sc1ccccc1)OC2=O ZINC000000702386 212175022 /nfs/dbraw/zinc/17/50/22/212175022.db2.gz HLUUFFCBFRTJKO-FCHUYYIVSA-N 0 0 381.497 4.898 50 0 GJAARN COc1ccc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cc1OC(C)C ZINC000000672749 212172618 /nfs/dbraw/zinc/17/26/18/212172618.db2.gz HMLKLUVGSQBQCC-UDWIEESQSA-N 0 0 387.435 4.980 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccccc1 ZINC000000634939 212166953 /nfs/dbraw/zinc/16/69/53/212166953.db2.gz IUTMXTKAPOEFJZ-UHFFFAOYSA-N 0 0 381.453 4.609 50 0 GJAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1 ZINC000000652097 212169877 /nfs/dbraw/zinc/16/98/77/212169877.db2.gz XSTKFAIXWQXXJY-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN CCc1c2cc3c(C)cc(=O)oc3c(C)c2oc1C(=O)c1ccc(OC)cc1 ZINC000000641720 212168705 /nfs/dbraw/zinc/16/87/05/212168705.db2.gz UOXKQEJFFGAMIB-UHFFFAOYSA-N 0 0 376.408 4.958 50 0 GJAARN Cc1cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1Cl ZINC000000646320 212168122 /nfs/dbraw/zinc/16/81/22/212168122.db2.gz IZRIATUAOQQSON-UHFFFAOYSA-N 0 0 376.840 4.929 50 0 GJAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccccc3C)ccc1O2 ZINC000009135085 212163504 /nfs/dbraw/zinc/16/35/04/212163504.db2.gz MYRBWXUGFWVQKT-UHFFFAOYSA-N 0 0 388.423 4.679 50 0 GJAARN COc1ccc(Nc2nc(Nc3cc(Cl)ccc3C)nc3nccnc32)cc1 ZINC000009074351 212162268 /nfs/dbraw/zinc/16/22/68/212162268.db2.gz XOMCHAXZFSGJNF-UHFFFAOYSA-N 0 0 392.850 4.877 50 0 GJAARN CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000009040262 212161999 /nfs/dbraw/zinc/16/19/99/212161999.db2.gz NLPGFNJBOBTPSH-HNNXBMFYSA-N 0 0 399.922 4.812 50 0 GJAARN CCCN1C(=O)CCc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000009107233 212161929 /nfs/dbraw/zinc/16/19/29/212161929.db2.gz FKCKPUODOGJBKJ-UHFFFAOYSA-N 0 0 394.515 4.691 50 0 GJAARN COc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc3nccnc32)cc1 ZINC000009074349 212161559 /nfs/dbraw/zinc/16/15/59/212161559.db2.gz YGYFDXBJJSYMID-UHFFFAOYSA-N 0 0 392.850 4.877 50 0 GJAARN COc1cccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 ZINC000096993420 212158398 /nfs/dbraw/zinc/15/83/98/212158398.db2.gz YVDFVNUEKRWGGR-XNTDXEJSSA-N 0 0 389.839 4.675 50 0 GJAARN COc1ccc(C)cc1C=CC(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000096309332 212155372 /nfs/dbraw/zinc/15/53/72/212155372.db2.gz DHAXQYQKHBUWCM-BENRWUELSA-N 0 0 376.460 4.564 50 0 GJAARN C/C(=C\C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl)C1CC1 ZINC000096298000 212153371 /nfs/dbraw/zinc/15/33/71/212153371.db2.gz VDJRGMYSPOQHOF-DPCFLFMUSA-N 0 0 381.303 4.669 50 0 GJAARN COc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000096993419 212157091 /nfs/dbraw/zinc/15/70/91/212157091.db2.gz HJHQMLCCPRQVCI-XNTDXEJSSA-N 0 0 389.839 4.675 50 0 GJAARN CCOC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 ZINC000004340669 212146513 /nfs/dbraw/zinc/14/65/13/212146513.db2.gz UJRKILQWACUTQW-ZDUSSCGKSA-N 0 0 386.831 4.752 50 0 GJAARN Cc1ccccc1COc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1 ZINC000002449881 212145466 /nfs/dbraw/zinc/14/54/66/212145466.db2.gz TUJPJECBPDVCPM-UHFFFAOYSA-N 0 0 383.451 4.986 50 0 GJAARN CCOC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)OCC)c2c1 ZINC000001448024 212144022 /nfs/dbraw/zinc/14/40/22/212144022.db2.gz ATZAKGNJRREZOT-UHFFFAOYSA-N 0 0 384.384 4.820 50 0 biogenic GJAARN COc1ccccc1NC(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C ZINC000001020368 212143094 /nfs/dbraw/zinc/14/30/94/212143094.db2.gz OUQBEFBPZPPCCK-BJKOFHAPSA-N 0 0 387.483 4.606 50 0 biogenic GJAARN CC(C)n1cc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cn1 ZINC000263587440 212141936 /nfs/dbraw/zinc/14/19/36/212141936.db2.gz GXUZXEMZVRWILT-IBGZPJMESA-N 0 0 384.483 4.941 50 0 GJAARN Cc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1C ZINC000263617089 212141601 /nfs/dbraw/zinc/14/16/01/212141601.db2.gz MAIZWOJLFGHGEW-IBGZPJMESA-N 0 0 390.418 4.628 50 0 GJAARN COc1ccc(CNC(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)cc1 ZINC000263587172 212140614 /nfs/dbraw/zinc/14/06/14/212140614.db2.gz CZGXHNJECNLYJW-GOSISDBHSA-N 0 0 383.879 4.707 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC2CC2)[C@@H]1c1cccs1 ZINC000257173184 212140301 /nfs/dbraw/zinc/14/03/01/212140301.db2.gz FXHSLAOXBRJLMT-SFTDATJTSA-N 0 0 396.556 4.601 50 0 GJAARN O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253399622 212136292 /nfs/dbraw/zinc/13/62/92/212136292.db2.gz DDIZOKWVWWLUTN-SFHVURJKSA-N 0 0 384.387 4.607 50 0 biogenic GJAARN O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cc(Cl)ccc1Cl ZINC000253399699 212136369 /nfs/dbraw/zinc/13/63/69/212136369.db2.gz JUSZABWOUDJHOQ-QGZVFWFLSA-N 0 0 398.336 4.782 50 0 GJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1cccc2c1OCCO2 ZINC000334162305 212107468 /nfs/dbraw/zinc/10/74/68/212107468.db2.gz LWCSMGGYQBQRTO-UHFFFAOYSA-N 0 0 388.217 4.527 50 0 GJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(Oc2ncccc2C)CC1 ZINC000328594623 212083238 /nfs/dbraw/zinc/08/32/38/212083238.db2.gz ZRADNWQXFDVWER-UHFFFAOYSA-N 0 0 393.512 4.506 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(C(C)(C)C)cc12 ZINC000004542460 206227492 /nfs/dbraw/zinc/22/74/92/206227492.db2.gz PIQCXTKAJQFJGM-UHFFFAOYSA-N 0 0 379.456 4.653 50 0 GJAARN CC[C@H](C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 ZINC000227631919 206261331 /nfs/dbraw/zinc/26/13/31/206261331.db2.gz RYEIPTWOUQBGAZ-NJYVYQBISA-N 0 0 398.478 4.995 50 0 GJAARN CC(C)c1ccc2nc(Cl)c(CCN3C(=O)c4ccccc4C3=O)cc2c1 ZINC000245197905 206282160 /nfs/dbraw/zinc/28/21/60/206282160.db2.gz HLQFDZDBZUWJLU-UHFFFAOYSA-N 0 0 378.859 4.850 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@@H](c1cccnc1)CC(=O)O2 ZINC000253415103 206283526 /nfs/dbraw/zinc/28/35/26/206283526.db2.gz ZQUNZEYNKQRJTF-GOSISDBHSA-N 0 0 383.403 4.604 50 0 biogenic GJAARN CCSc1ccccc1C(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000253472812 206285034 /nfs/dbraw/zinc/28/50/34/206285034.db2.gz PLXZHDPVRHACOP-ZDUSSCGKSA-N 0 0 385.514 4.540 50 0 GJAARN Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)s1 ZINC000257173040 206288329 /nfs/dbraw/zinc/28/83/29/206288329.db2.gz BBYVFQCAVLFDFU-UHFFFAOYSA-N 0 0 377.469 4.601 50 0 GJAARN Cc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3F)C4)n2)cc1C ZINC000263616574 206289300 /nfs/dbraw/zinc/28/93/00/206289300.db2.gz JLWLFAFLHDKMNC-IBGZPJMESA-N 0 0 390.418 4.628 50 0 GJAARN Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 ZINC000263617402 206288902 /nfs/dbraw/zinc/28/89/02/206288902.db2.gz NPKLXCJZXQXJFP-GOSISDBHSA-N 0 0 381.863 4.605 50 0 GJAARN COc1ccccc1-c1coc2c(ccc3c2CN(C2CCCCC2)CO3)c1=O ZINC000013734627 206296880 /nfs/dbraw/zinc/29/68/80/206296880.db2.gz ZEAODMXORITUDV-UHFFFAOYSA-N 0 0 391.467 4.953 50 0 biogenic GJAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 ZINC000009660108 206294633 /nfs/dbraw/zinc/29/46/33/206294633.db2.gz MJQBXDWNIKBUEJ-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 GJAARN O=c1c(-c2ccccc2)coc2c1ccc1c2CN(CCc2ccccc2)CO1 ZINC000013682198 206294665 /nfs/dbraw/zinc/29/46/65/206294665.db2.gz TYLWZTHEJADTQE-UHFFFAOYSA-N 0 0 383.447 4.855 50 0 biogenic GJAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000000624927 206307594 /nfs/dbraw/zinc/30/75/94/206307594.db2.gz YVOJIVFGBHPTRO-UHFFFAOYSA-N 0 0 397.430 4.578 50 0 GJAARN O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1 ZINC000000537908 206308122 /nfs/dbraw/zinc/30/81/22/206308122.db2.gz YEJCDKJIEMIWRQ-UHFFFAOYSA-N 0 0 391.474 4.878 50 0 investigational GJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000009135378 206308447 /nfs/dbraw/zinc/30/84/47/206308447.db2.gz FRGCPIPLRZVCPS-UHFFFAOYSA-N 0 0 388.423 4.638 50 0 GJAARN Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)c1 ZINC000000629953 206309414 /nfs/dbraw/zinc/30/94/14/206309414.db2.gz SQDXESGTTJTEMK-SHZLTDHESA-N 0 0 379.459 4.782 50 0 GJAARN Cc1nc2sc3c(c2c(Sc2nnc4sc5ccccc5n24)n1)CCC3 ZINC000000628319 206309463 /nfs/dbraw/zinc/30/94/63/206309463.db2.gz XVHWYEGDNZNUQX-UHFFFAOYSA-N 0 0 395.538 4.897 50 0 GJAARN Nc1nc(SCc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1-c1ccccc1 ZINC000000640435 206310412 /nfs/dbraw/zinc/31/04/12/206310412.db2.gz DKAOWDKMIKCGGC-UHFFFAOYSA-N 0 0 378.284 4.618 50 0 GJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000634172 206310613 /nfs/dbraw/zinc/31/06/13/206310613.db2.gz GTGKIJIHAWXNEN-UHFFFAOYSA-N 0 0 376.887 4.969 50 0 GJAARN COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1OC ZINC000000633158 206310709 /nfs/dbraw/zinc/31/07/09/206310709.db2.gz YBHHLLRTBWMCRS-UHFFFAOYSA-N 0 0 399.450 4.809 50 0 GJAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000000637594 206310767 /nfs/dbraw/zinc/31/07/67/206310767.db2.gz CHQURUJKEPAPBM-ZOVQAKDCSA-N 0 0 393.486 4.874 50 0 GJAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)[C@@H](C)CCC3 ZINC000000642819 206311810 /nfs/dbraw/zinc/31/18/10/206311810.db2.gz BKCUNJWZPSZRJN-LBPRGKRZSA-N 0 0 396.541 4.647 50 0 GJAARN COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000000647598 206312183 /nfs/dbraw/zinc/31/21/83/206312183.db2.gz FHYTVZHNAXYVSO-QFIPXVFZSA-N 0 0 386.451 4.861 50 0 GJAARN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N(C)C1=S ZINC000000661323 206312876 /nfs/dbraw/zinc/31/28/76/206312876.db2.gz KBBTVOGOFRAXMR-ZROIWOOFSA-N 0 0 381.284 4.673 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc1OC ZINC000000657145 206313164 /nfs/dbraw/zinc/31/31/64/206313164.db2.gz MUPRADTUWIBPAJ-UHFFFAOYSA-N 0 0 390.483 4.935 50 0 GJAARN COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000000663000 206314759 /nfs/dbraw/zinc/31/47/59/206314759.db2.gz SYTAGTZWFQGJSL-UHFFFAOYSA-N 0 0 377.893 4.739 50 0 GJAARN O=C(N/C(=C/c1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1 ZINC000000675771 206315167 /nfs/dbraw/zinc/31/51/67/206315167.db2.gz HVJXCWSRSDZVFR-PTGBLXJZSA-N 0 0 384.479 4.623 50 0 GJAARN O=C(Oc1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000000677183 206315512 /nfs/dbraw/zinc/31/55/12/206315512.db2.gz SZRBNJJPRBUSPF-UHFFFAOYSA-N 0 0 393.398 4.860 50 0 GJAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(=O)OC)C1 ZINC000000673070 206315607 /nfs/dbraw/zinc/31/56/07/206315607.db2.gz DDXJITIZXXEGJW-HJTPGIPUSA-N 0 0 387.476 4.841 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000000673334 206315763 /nfs/dbraw/zinc/31/57/63/206315763.db2.gz BBOJSYRSXYKVMH-LBPRGKRZSA-N 0 0 395.908 4.909 50 0 GJAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1 ZINC000000679619 206315990 /nfs/dbraw/zinc/31/59/90/206315990.db2.gz BEMAKSZPAHLZRK-CQSZACIVSA-N 0 0 395.532 4.523 50 0 GJAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000000681060 206316200 /nfs/dbraw/zinc/31/62/00/206316200.db2.gz AMDPGPLUTGPHRK-UHFFFAOYSA-N 0 0 387.936 4.766 50 0 GJAARN COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 ZINC000000691593 206316447 /nfs/dbraw/zinc/31/64/47/206316447.db2.gz MPZCYDCUUJJHOQ-UHFFFAOYSA-N 0 0 381.501 4.798 50 0 GJAARN COc1cc(OC)c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC000000683178 206316916 /nfs/dbraw/zinc/31/69/16/206316916.db2.gz LHTHNUQLCGCQPS-UHFFFAOYSA-N 0 0 389.757 4.637 50 0 GJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccccc1F ZINC000000708878 206317648 /nfs/dbraw/zinc/31/76/48/206317648.db2.gz UIFZQUBJUDLVME-UHFFFAOYSA-N 0 0 399.443 4.992 50 0 GJAARN CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)COc3ccccc3)cc21 ZINC000000708543 206318152 /nfs/dbraw/zinc/31/81/52/206318152.db2.gz FMPFIFXUXJPLEK-UHFFFAOYSA-N 0 0 395.455 4.692 50 0 GJAARN CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000757942 206320850 /nfs/dbraw/zinc/32/08/50/206320850.db2.gz VICXDBVPZWFADX-INIZCTEOSA-N 0 0 385.291 4.601 50 0 GJAARN COc1ccccc1C(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000000820641 206324757 /nfs/dbraw/zinc/32/47/57/206324757.db2.gz NFTWXGFERUXIAW-INIZCTEOSA-N 0 0 387.694 4.542 50 0 GJAARN CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1 ZINC000000850650 206327616 /nfs/dbraw/zinc/32/76/16/206327616.db2.gz KPKSDJGFVFCNJF-UHFFFAOYSA-N 0 0 386.407 4.546 50 0 GJAARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cc(Cl)ccc1Cl ZINC000000848488 206327932 /nfs/dbraw/zinc/32/79/32/206327932.db2.gz HIDONTVELLKHIW-UHFFFAOYSA-N 0 0 386.588 4.809 50 0 GJAARN CCOc1ccccc1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000000868244 206328546 /nfs/dbraw/zinc/32/85/46/206328546.db2.gz UQFOFHYJNDHUJJ-UHFFFAOYSA-N 0 0 378.211 4.751 50 0 GJAARN O=C(CSc1nnc(COc2cccc3ccccc32)o1)OC1CCCCC1 ZINC000000877799 206330180 /nfs/dbraw/zinc/33/01/80/206330180.db2.gz PDROPYAKGXUMQL-UHFFFAOYSA-N 0 0 398.484 4.770 50 0 GJAARN O=C(c1ccc(-n2cccn2)cc1)N(CCc1cccs1)Cc1cccs1 ZINC000009513107 206330836 /nfs/dbraw/zinc/33/08/36/206330836.db2.gz OIDBCXKBQUCDNF-UHFFFAOYSA-N 0 0 393.537 4.880 50 0 GJAARN O=C1CCc2cc(NCc3nc(-c4c(F)cccc4F)cs3)c(F)cc2N1 ZINC000155804471 206305672 /nfs/dbraw/zinc/30/56/72/206305672.db2.gz RHCXGHUCEKENEV-UHFFFAOYSA-N 0 0 389.402 4.724 50 0 GJAARN O=C(/C=C/c1ccccc1Cl)Nc1ccc(I)cc1 ZINC000000937147 206334511 /nfs/dbraw/zinc/33/45/11/206334511.db2.gz MLOMACDQOIYVJS-BJMVGYQFSA-N 0 0 383.616 4.597 50 0 GJAARN CCc1ccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000000941297 206335351 /nfs/dbraw/zinc/33/53/51/206335351.db2.gz UUDAQBKUGQYDDB-UHFFFAOYSA-N 0 0 395.673 4.992 50 0 GJAARN Cc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(Cl)c3C)C2=O)c1C ZINC000000941800 206336098 /nfs/dbraw/zinc/33/60/98/206336098.db2.gz RLLLWYSGMCGKLV-UHFFFAOYSA-N 0 0 375.255 4.701 50 0 GJAARN Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000000939232 206336104 /nfs/dbraw/zinc/33/61/04/206336104.db2.gz BTFINGUMPLHWMU-UHFFFAOYSA-N 0 0 381.646 4.738 50 0 GJAARN Cc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 ZINC000000947711 206336439 /nfs/dbraw/zinc/33/64/39/206336439.db2.gz FJFICUVNGPITJP-UHFFFAOYSA-N 0 0 386.524 4.993 50 0 GJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(OCC)cc1 ZINC000000949027 206336698 /nfs/dbraw/zinc/33/66/98/206336698.db2.gz MGFBWKLIDSCLNH-UHFFFAOYSA-N 0 0 380.444 4.953 50 0 GJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(C(C)=O)c1 ZINC000000949029 206337028 /nfs/dbraw/zinc/33/70/28/206337028.db2.gz ODNHDGXSXMPMFB-UHFFFAOYSA-N 0 0 378.428 4.756 50 0 GJAARN CCOC(=O)[C@H](CC)Oc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O ZINC000000948949 206337389 /nfs/dbraw/zinc/33/73/89/206337389.db2.gz SFGVMJRHTPQJRX-SFHVURJKSA-N 0 0 396.439 4.923 50 0 GJAARN CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc21 ZINC000000977839 206338344 /nfs/dbraw/zinc/33/83/44/206338344.db2.gz KKDMHTWNMLCNHV-UHFFFAOYSA-N 0 0 388.261 4.887 50 0 biogenic,in-vitro GJAARN O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccccc1Cl ZINC000000992800 206339795 /nfs/dbraw/zinc/33/97/95/206339795.db2.gz XUEUQWFVJKOKKI-UHFFFAOYSA-N 0 0 396.668 4.565 50 0 GJAARN CCc1c(C)sc(NC(=O)/C=C/c2ccc(OC)cc2)c1C(=O)OC(C)C ZINC000000996047 206339888 /nfs/dbraw/zinc/33/98/88/206339888.db2.gz QKHDJYSBRWZUOS-FMIVXFBMSA-N 0 0 387.501 4.845 50 0 GJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 ZINC000000996190 206340103 /nfs/dbraw/zinc/34/01/03/206340103.db2.gz NJRPCHGRBWBMNG-NSHDSACASA-N 0 0 376.547 4.702 50 0 aggregator GJAARN CCNc1ccccc1C(=O)O[C@@H](C(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000000993148 206340193 /nfs/dbraw/zinc/34/01/93/206340193.db2.gz DAIPNISQRXNLOI-HSZRJFAPSA-N 0 0 389.451 4.908 50 0 GJAARN COc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1 ZINC000000996481 206341138 /nfs/dbraw/zinc/34/11/38/206341138.db2.gz SJYBRNSXRKIGBZ-UHFFFAOYSA-N 0 0 379.419 4.949 50 0 aggregator GJAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)cc1OC ZINC000000996968 206341239 /nfs/dbraw/zinc/34/12/39/206341239.db2.gz OOLOHQFRNSBCSM-UHFFFAOYSA-N 0 0 399.450 4.875 50 0 GJAARN CCOC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000001016750 206341795 /nfs/dbraw/zinc/34/17/95/206341795.db2.gz XSIPDRICAYVQRE-UHFFFAOYSA-N 0 0 396.446 4.947 50 0 GJAARN O=S(=O)(NCc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000001024169 206342532 /nfs/dbraw/zinc/34/25/32/206342532.db2.gz BMWMUHWZQNGOLG-UHFFFAOYSA-N 0 0 385.099 4.779 50 0 GJAARN O=C(Nc1ccc(NC(=O)c2ccccc2O)cc1)Nc1ccc(F)cc1F ZINC000001033933 206342800 /nfs/dbraw/zinc/34/28/00/206342800.db2.gz LSUINVKFSDSWBJ-UHFFFAOYSA-N 0 0 383.354 4.567 50 0 GJAARN 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397.066 4.667 50 0 GJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1cccc(F)c1 ZINC000002094423 220502576 /nfs/dbraw/zinc/50/25/76/220502576.db2.gz AHFPFOYBCDPMBT-UHFFFAOYSA-N 0 0 389.382 4.617 50 0 biogenic GJAARN COc1cccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)c1 ZINC000002199598 220508824 /nfs/dbraw/zinc/50/88/24/220508824.db2.gz GYOYLELCAIDPSX-UHFFFAOYSA-N 0 0 393.390 4.727 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccccn1 ZINC000002249123 220513664 /nfs/dbraw/zinc/51/36/64/220513664.db2.gz ZBUNFRMQOGODPO-IBGZPJMESA-N 0 0 388.810 4.591 50 0 GJAARN CCCCCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000002245255 220513953 /nfs/dbraw/zinc/51/39/53/220513953.db2.gz LHJCZDLBUDBPBL-UHFFFAOYSA-N 0 0 392.459 4.545 50 0 GJAARN Cc1nc2sc3c(c2c2nc(-c4ccccc4Cl)nn21)CC(C)(C)OC3 ZINC000002348374 220526138 /nfs/dbraw/zinc/52/61/38/220526138.db2.gz UZQRDYKTDMJKJY-UHFFFAOYSA-N 0 0 384.892 4.819 50 0 GJAARN CCCCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 ZINC000002386826 220528367 /nfs/dbraw/zinc/52/83/67/220528367.db2.gz NLLFDIUEBAOBMB-OAHLLOKOSA-N 0 0 382.508 4.950 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCc1ccccc1-2 ZINC000002300973 220520914 /nfs/dbraw/zinc/52/09/14/220520914.db2.gz BXFNSQHNYYMDLV-UHFFFAOYSA-N 0 0 377.465 4.943 50 0 aggregator GJAARN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000028220985 208938315 /nfs/dbraw/zinc/93/83/15/208938315.db2.gz APRXISMYGKPMGE-VQTJNVASSA-N 0 0 379.891 4.944 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCCCC4)CN(c1ccc(F)cc1)CO2 ZINC000002333590 220523869 /nfs/dbraw/zinc/52/38/69/220523869.db2.gz MQMUPZYGCRDZIH-UHFFFAOYSA-N 0 0 379.431 4.866 50 0 GJAARN CCOCN(C(=O)Cn1cnc2cc(C)c(C)cc21)c1c(C)cccc1CC ZINC000002666085 220550291 /nfs/dbraw/zinc/55/02/91/220550291.db2.gz WFSUGCXKTCUZRS-UHFFFAOYSA-N 0 0 379.504 4.551 50 0 GJAARN FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(Cl)cnn21 ZINC000002766553 220562499 /nfs/dbraw/zinc/56/24/99/220562499.db2.gz VPEYCEQCJAFPFV-UHFFFAOYSA-N 0 0 376.563 4.831 50 0 GJAARN CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000002721753 220555932 /nfs/dbraw/zinc/55/59/32/220555932.db2.gz HGQPOUVMUAYZQJ-UHFFFAOYSA-N 0 0 383.491 4.877 50 0 GJAARN O=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccccc2Cl)n1 ZINC000002786780 220564863 /nfs/dbraw/zinc/56/48/63/220564863.db2.gz NIUSXGBKVASNPV-UHFFFAOYSA-N 0 0 380.206 4.618 50 0 GJAARN Cc1ccc(SCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000002866798 220577940 /nfs/dbraw/zinc/57/79/40/220577940.db2.gz PORPYAAMEPOKLN-UHFFFAOYSA-N 0 0 381.501 4.574 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000002946513 220587302 /nfs/dbraw/zinc/58/73/02/220587302.db2.gz QNOJOXWAFBDZOU-UHFFFAOYSA-N 0 0 395.240 4.722 50 0 GJAARN CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(CC)cc1 ZINC000003005800 220595216 /nfs/dbraw/zinc/59/52/16/220595216.db2.gz CBFOSOFPDSJUSG-NRFANRHFSA-N 0 0 397.515 4.571 50 0 GJAARN CCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1ccccc1C)c2C ZINC000003033441 220598669 /nfs/dbraw/zinc/59/86/69/220598669.db2.gz RGKXWEAVOQFLJE-UHFFFAOYSA-N 0 0 378.520 4.555 50 0 GJAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)cc2C1 ZINC000003382265 220636978 /nfs/dbraw/zinc/63/69/78/220636978.db2.gz PRWASGYIAGQYHJ-MRXNPFEDSA-N 0 0 399.556 4.857 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)NCC3CCCCC3)s2)c1C ZINC000003271534 220619328 /nfs/dbraw/zinc/61/93/28/220619328.db2.gz ZYBRNDDEYWDKHW-UHFFFAOYSA-N 0 0 390.578 4.687 50 0 GJAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)N1CCCCC1 ZINC000003528770 220654898 /nfs/dbraw/zinc/65/48/98/220654898.db2.gz JAPUVFLTEJJSAC-UHFFFAOYSA-N 0 0 393.921 4.709 50 0 GJAARN COc1ccc(NC(=O)C[C@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1 ZINC000004043045 220674521 /nfs/dbraw/zinc/67/45/21/220674521.db2.gz IVYTXXQCTQTSQX-VWNXMTODSA-N 0 0 397.515 4.805 50 0 biogenic GJAARN CCOc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1OCC ZINC000004138202 220684976 /nfs/dbraw/zinc/68/49/76/220684976.db2.gz DVXLAQQNIQNXQZ-UHFFFAOYSA-N 0 0 392.499 4.774 50 0 GJAARN COc1ccc(CCN2C(=O)CS[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004131065 220685220 /nfs/dbraw/zinc/68/52/20/220685220.db2.gz HRHHBNDZGVKHKP-QFIPXVFZSA-N 0 0 385.529 4.644 50 0 GJAARN O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1coc2ccccc2c1=O ZINC000004200631 220692845 /nfs/dbraw/zinc/69/28/45/220692845.db2.gz JNAQPBQINZFZJN-UHFFFAOYSA-N 0 0 392.461 4.775 50 0 GJAARN CCOc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 ZINC000004375167 220712378 /nfs/dbraw/zinc/71/23/78/220712378.db2.gz FPHMXCVQEGDUSH-UHFFFAOYSA-N 0 0 398.503 4.558 50 0 GJAARN CCCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000004555246 220731457 /nfs/dbraw/zinc/73/14/57/220731457.db2.gz KLDLVRXREWFNLD-AREMUKBSSA-N 0 0 399.490 4.647 50 0 GJAARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000004706681 220751133 /nfs/dbraw/zinc/75/11/33/220751133.db2.gz WZFGAVNXLMOCME-UHFFFAOYSA-N 0 0 389.524 4.923 50 0 GJAARN CCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1 ZINC000004742351 220759113 /nfs/dbraw/zinc/75/91/13/220759113.db2.gz BUHIRYGWUVZCPS-UHFFFAOYSA-N 0 0 377.831 4.893 50 0 GJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccco1)occ3C(C)(C)C ZINC000004743914 220760173 /nfs/dbraw/zinc/76/01/73/220760173.db2.gz ZFOFVUHJPYYLNP-UHFFFAOYSA-N 0 0 393.439 4.597 50 0 GJAARN CCOc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=N)oc21 ZINC000004744524 220760208 /nfs/dbraw/zinc/76/02/08/220760208.db2.gz OVMHPDKRRLTHJS-UHFFFAOYSA-N 0 0 377.227 4.870 50 0 GJAARN O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCCc2ccccc21 ZINC000004880574 220782823 /nfs/dbraw/zinc/78/28/23/220782823.db2.gz ZKWSXPHQAPEHLR-UHFFFAOYSA-N 0 0 383.245 4.697 50 0 GJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NC1CCCCCC1 ZINC000004935255 220794398 /nfs/dbraw/zinc/79/43/98/220794398.db2.gz KIEWTTJFSNZWNW-UHFFFAOYSA-N 0 0 390.531 4.785 50 0 GJAARN CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CO[C@H](C(C)C)C4 ZINC000005024631 220812345 /nfs/dbraw/zinc/81/23/45/220812345.db2.gz YQPQFDFBYKEJHR-AWEZNQCLSA-N 0 0 396.541 4.825 50 0 GJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000005022464 220812615 /nfs/dbraw/zinc/81/26/15/220812615.db2.gz CQMNJJZJDPMLFN-HNNXBMFYSA-N 0 0 390.508 4.504 50 0 GJAARN C[C@H]1CC[C@H](C)N(c2ncnc3c4cc5c(nc4sc32)CC(C)(C)OC5)C1 ZINC000004981042 220804309 /nfs/dbraw/zinc/80/43/09/220804309.db2.gz QZBZBJLSWBHMRZ-STQMWFEESA-N 0 0 382.533 4.716 50 0 GJAARN C[C@@H]1CN(C(=O)c2ccc(COc3cccc4ccccc43)cc2)C[C@@H](C)O1 ZINC000005127335 220832511 /nfs/dbraw/zinc/83/25/11/220832511.db2.gz NNTUSYMOTQWYOW-QZTJIDSGSA-N 0 0 375.468 4.668 50 0 GJAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1c(F)cccc1Cl ZINC000005146288 220836736 /nfs/dbraw/zinc/83/67/36/220836736.db2.gz BEMQLWKTVQWNSG-UHFFFAOYSA-N 0 0 378.831 4.714 50 0 GJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2)c1 ZINC000005157737 220838400 /nfs/dbraw/zinc/83/84/00/220838400.db2.gz ACOVWVRQYXXCPT-UPVQGACJSA-N 0 0 386.451 4.946 50 0 GJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)C1CCCC1 ZINC000005168940 220840395 /nfs/dbraw/zinc/84/03/95/220840395.db2.gz VDYMPCVFOFREIQ-UHFFFAOYSA-N 0 0 389.484 4.649 50 0 GJAARN COc1cccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 ZINC000005108279 220831795 /nfs/dbraw/zinc/83/17/95/220831795.db2.gz SWIXGXOFYRYUTG-UHFFFAOYSA-N 0 0 386.904 4.753 50 0 GJAARN COc1ccc(-c2nc(=S)c3c(n2Cc2cccnc2)CC(C)(C)OC3)cc1 ZINC000005477910 220874198 /nfs/dbraw/zinc/87/41/98/220874198.db2.gz MWSJMAGQMGXGSR-UHFFFAOYSA-N 0 0 393.512 4.583 50 0 GJAARN CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000005451517 220872082 /nfs/dbraw/zinc/87/20/82/220872082.db2.gz UXRDIRJSZNNWPL-UHFFFAOYSA-N 0 0 395.455 4.914 50 0 biogenic GJAARN Brc1cccc(CSc2nc3cc(Br)cnc3[nH]2)c1 ZINC000005453283 220873127 /nfs/dbraw/zinc/87/31/27/220873127.db2.gz VHPHRPDHQLCRIO-UHFFFAOYSA-N 0 0 399.111 4.775 50 0 GJAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C)s2)cc1C ZINC000005624089 220888842 /nfs/dbraw/zinc/88/88/42/220888842.db2.gz RJNBAQZVICYUHM-UHFFFAOYSA-N 0 0 384.530 4.938 50 0 GJAARN Cc1cc(C(=O)CSc2nncn2-c2cc(C)ccc2C)c(C)n1C1CC1 ZINC000005894650 220906321 /nfs/dbraw/zinc/90/63/21/220906321.db2.gz SOPFAZOEJCIDBI-UHFFFAOYSA-N 0 0 380.517 4.612 50 0 GJAARN CCC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000006154124 220922934 /nfs/dbraw/zinc/92/29/34/220922934.db2.gz KIWMPWGBCSSFHK-UHFFFAOYSA-N 0 0 399.450 4.840 50 0 GJAARN Cc1ccc(NC=C2N=C(c3ccccc3Br)OC2=O)cc1Cl ZINC000006205846 220923996 /nfs/dbraw/zinc/92/39/96/220923996.db2.gz ADKRLMDAWYDCPG-DHDCSXOGSA-N 0 0 391.652 4.668 50 0 GJAARN O=C(/C=C/c1ccco1)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119722 209010266 /nfs/dbraw/zinc/01/02/66/209010266.db2.gz PIJJMFXQJRVQQQ-MDZDMXLPSA-N 0 0 377.425 4.634 50 0 GJAARN Cc1cc2oc(=O)cc(COC(=O)COc3cccc4ccccc43)c2cc1C ZINC000006085034 220919916 /nfs/dbraw/zinc/91/99/16/220919916.db2.gz KCXZJHOOLZZHCD-UHFFFAOYSA-N 0 0 388.419 4.685 50 0 GJAARN CCc1ccc([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@H]4C)c(C)c3C(=O)C2)cc1 ZINC000239025574 209017815 /nfs/dbraw/zinc/01/78/15/209017815.db2.gz BUMIRAJIDGSMQV-IBZMOEQTSA-N 0 0 379.500 5.144 50 0 GJAARN COc1cccc([C@@H]2CC(c3ccsc3)=NN2C(=O)c2ccccc2C)c1 ZINC000241515594 209019598 /nfs/dbraw/zinc/01/95/98/209019598.db2.gz OGKMYXRJMPQAMA-NRFANRHFSA-N 0 0 376.481 5.057 50 0 GJAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)c1 ZINC000006471174 220935798 /nfs/dbraw/zinc/93/57/98/220935798.db2.gz MJTZVBGUWGACMM-HJWRWDBZSA-N 0 0 375.497 4.888 50 0 GJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1cccc2c1OC(C)(C)C2 ZINC000006552474 220940956 /nfs/dbraw/zinc/94/09/56/220940956.db2.gz CTAYRNIIWCCXGV-AWEZNQCLSA-N 0 0 396.512 4.608 50 0 GJAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc(F)c(F)c1 ZINC000006559825 220942224 /nfs/dbraw/zinc/94/22/24/220942224.db2.gz JSKQXUPROUVGOX-SNVBAGLBSA-N 0 0 377.441 4.923 50 0 GJAARN CSc1cccc(CN(C)C(=O)c2cccc(-c3n[nH]c(C(C)C)n3)c2)c1 ZINC000299796735 209090557 /nfs/dbraw/zinc/09/05/57/209090557.db2.gz NSFZDFIKLGNMGC-UHFFFAOYSA-N 0 0 380.517 4.589 50 0 GJAARN CN1CCCN(C(=O)c2ccccc2-c2ccccc2)c2nc3ccccc3nc21 ZINC000006588767 220943861 /nfs/dbraw/zinc/94/38/61/220943861.db2.gz WDUDXTVGKNMPGT-UHFFFAOYSA-N 0 0 394.478 4.784 50 0 GJAARN COc1ccc(NC(=O)CSCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000006586167 220943979 /nfs/dbraw/zinc/94/39/79/220943979.db2.gz NUAWIVIZULIZNV-UHFFFAOYSA-N 0 0 397.500 4.741 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)c1ccco1 ZINC000006704382 220951883 /nfs/dbraw/zinc/95/18/83/220951883.db2.gz IFSYIDFOCPJVOY-UHFFFAOYSA-N 0 0 388.467 4.627 50 0 GJAARN O=C(Nc1nc(-c2cccs2)cs1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000006647888 220946799 /nfs/dbraw/zinc/94/67/99/220946799.db2.gz FRVUTMKYKQBQTA-OAHLLOKOSA-N 0 0 386.498 4.682 50 0 GJAARN Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000006819389 220967987 /nfs/dbraw/zinc/96/79/87/220967987.db2.gz HACPRUUSTRLDDR-QGZVFWFLSA-N 0 0 377.415 4.732 50 0 GJAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C3CCC3)cc2)cc1F ZINC000006734962 220954989 /nfs/dbraw/zinc/95/49/89/220954989.db2.gz HZLUPXPELUNILM-OAQYLSRUSA-N 0 0 384.476 4.651 50 0 GJAARN COc1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000006752285 220958314 /nfs/dbraw/zinc/95/83/14/220958314.db2.gz OLDZYYYMQBFURA-UHFFFAOYSA-N 0 0 379.460 4.920 50 0 GJAARN Cc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)o1 ZINC000006786990 220960906 /nfs/dbraw/zinc/96/09/06/220960906.db2.gz DGHAXTLYRILNBH-UHFFFAOYSA-N 0 0 376.485 4.780 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C)s2)c1C ZINC000006790730 220962431 /nfs/dbraw/zinc/96/24/31/220962431.db2.gz NEOUOBXFXLWNMJ-UHFFFAOYSA-N 0 0 384.530 4.938 50 0 GJAARN COc1ccc2c(c1)[nH]c(C(=O)NC[C@@H]1CCCO1)c2Sc1ccc(C)cc1 ZINC000006798911 220963088 /nfs/dbraw/zinc/96/30/88/220963088.db2.gz YJTNFZBIFSXLPM-INIZCTEOSA-N 0 0 396.512 4.545 50 0 GJAARN COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2)c2ccccc2)c1 ZINC000006942911 220979675 /nfs/dbraw/zinc/97/96/75/220979675.db2.gz RVHUXLQTOIMVDM-OAQYLSRUSA-N 0 0 375.424 4.540 50 0 GJAARN CCCCNc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)s1 ZINC000007427334 220996604 /nfs/dbraw/zinc/99/66/04/220996604.db2.gz LFPLOBZVEOIJFO-UHFFFAOYSA-N 0 0 381.914 4.746 50 0 GJAARN CCc1ccc(CC)c(C(=O)CSc2nnc(NCc3ccco3)s2)c1 ZINC000007161911 220988682 /nfs/dbraw/zinc/98/86/82/220988682.db2.gz 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/nfs/dbraw/zinc/01/44/56/221014456.db2.gz OUUPTKUTLWAFBO-GFCCVEGCSA-N 0 0 392.286 4.559 50 0 GJAARN COc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c32)cc1F ZINC000007832816 221014505 /nfs/dbraw/zinc/01/45/05/221014505.db2.gz OIUKCRJQAUBUNK-UHFFFAOYSA-N 0 0 376.478 4.739 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000007848253 221014549 /nfs/dbraw/zinc/01/45/49/221014549.db2.gz NSUWKKGIAATRRO-DEOSSOPVSA-N 0 0 399.494 4.914 50 0 GJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)-c1ccccc1CC2 ZINC000007842641 221014933 /nfs/dbraw/zinc/01/49/33/221014933.db2.gz PXOZJXCDNWOMKL-UHFFFAOYSA-N 0 0 390.508 4.603 50 0 GJAARN CCOc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 ZINC000007509924 221000127 /nfs/dbraw/zinc/00/01/27/221000127.db2.gz FSIJGAPKLUUIAI-UHFFFAOYSA-N 0 0 380.448 4.621 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000007580557 221001967 /nfs/dbraw/zinc/00/19/67/221001967.db2.gz KMQDLCZSUTUSKR-UHFFFAOYSA-N 0 0 390.892 4.644 50 0 GJAARN 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COc1ccc([C@H]2CCCN2C(=O)Nc2nc3ccccc3s2)c(OC)c1 ZINC000010202408 221098719 /nfs/dbraw/zinc/09/87/19/221098719.db2.gz PQZYENZMXYHVRN-MRXNPFEDSA-N 0 0 383.473 4.683 50 0 GJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000010226430 221099393 /nfs/dbraw/zinc/09/93/93/221099393.db2.gz ZUGHSRCTFUCPBM-QGZVFWFLSA-N 0 0 386.499 4.652 50 0 GJAARN Cc1c(-c2nc(-c3ccccc3C)no2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000010273391 221099910 /nfs/dbraw/zinc/09/99/10/221099910.db2.gz HFRAWRUUZSWLDI-UHFFFAOYSA-N 0 0 385.349 4.620 50 0 GJAARN Cc1nc2scc(-c3cccc(NC(=O)Nc4ccccc4)c3)n2c(=O)c1C ZINC000011773397 221125301 /nfs/dbraw/zinc/12/53/01/221125301.db2.gz DXWBFWVFLHOCMZ-UHFFFAOYSA-N 0 0 390.468 4.684 50 0 GJAARN Cc1ccccc1CSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000011903937 221134818 /nfs/dbraw/zinc/13/48/18/221134818.db2.gz XLTOVVNMPKBLQH-UHFFFAOYSA-N 0 0 389.521 4.785 50 0 GJAARN CC(C)Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000011182177 221112191 /nfs/dbraw/zinc/11/21/91/221112191.db2.gz AVFHWNBANXKXHK-UHFFFAOYSA-N 0 0 376.456 4.912 50 0 GJAARN COc1ccc(NCC(=O)N[C@H](c2cccs2)c2ccccc2)cc1Cl ZINC000011257138 221112985 /nfs/dbraw/zinc/11/29/85/221112985.db2.gz FKNDPIRXZFPUEJ-FQEVSTJZSA-N 0 0 386.904 4.728 50 0 GJAARN Cc1csc(CNC(=O)C[C@@H](c2cccc(O)c2)c2ccccc2Cl)n1 ZINC000011661724 221119031 /nfs/dbraw/zinc/11/90/31/221119031.db2.gz DXHFPHKSIXZGEX-KRWDZBQOSA-N 0 0 386.904 4.649 50 0 GJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc2nnsc2c1 ZINC000011692739 221121338 /nfs/dbraw/zinc/12/13/38/221121338.db2.gz NODQGPFKYNIEKC-UHFFFAOYSA-N 0 0 386.889 4.644 50 0 GJAARN O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000011692689 221122209 /nfs/dbraw/zinc/12/22/09/221122209.db2.gz ZUMBCVREGBSWRD-QHCPKHFHSA-N 0 0 396.425 4.760 50 0 GJAARN O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)CCO2 ZINC000012003935 221141857 /nfs/dbraw/zinc/14/18/57/221141857.db2.gz OPYYGOGXXGZZKL-QHCPKHFHSA-N 0 0 395.449 4.636 50 0 GJAARN Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cccc(Cl)c2F)C3)nc1 ZINC000012053329 221145780 /nfs/dbraw/zinc/14/57/80/221145780.db2.gz HUDGFALDVFQJFK-OAHLLOKOSA-N 0 0 396.849 4.583 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCCC)cc1 ZINC000012062631 221146591 /nfs/dbraw/zinc/14/65/91/221146591.db2.gz IJTNKWRBHUNQOW-UHFFFAOYSA-N 0 0 381.432 4.567 50 0 GJAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)c(C)c1 ZINC000012062357 221146838 /nfs/dbraw/zinc/14/68/38/221146838.db2.gz STIFPEILZILGIV-UHFFFAOYSA-N 0 0 398.528 4.776 50 0 GJAARN CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 ZINC000012062904 221146951 /nfs/dbraw/zinc/14/69/51/221146951.db2.gz YVZYVMHMFDHNTI-OAQYLSRUSA-N 0 0 391.467 4.845 50 0 GJAARN O=C(c1cccnc1)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000011880006 221135419 /nfs/dbraw/zinc/13/54/19/221135419.db2.gz MPPVJZHUBQXSJS-UHFFFAOYSA-N 0 0 381.435 4.602 50 0 GJAARN CC(C)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 ZINC000011914989 221136003 /nfs/dbraw/zinc/13/60/03/221136003.db2.gz XASFTQIALDJSQC-UHFFFAOYSA-N 0 0 378.447 4.956 50 0 GJAARN COC(=O)c1ccc(-c2nc(CN3CCC[C@H]3c3ccc(F)cc3)c(C)o2)cc1 ZINC000012303796 221176993 /nfs/dbraw/zinc/17/69/93/221176993.db2.gz LGKLABDCBKPHBE-NRFANRHFSA-N 0 0 394.446 4.913 50 0 GJAARN Cc1oc(-c2ccoc2)nc1CN1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000012302753 221177708 /nfs/dbraw/zinc/17/77/08/221177708.db2.gz DFIWKMJATIYCEI-LJQANCHMSA-N 0 0 380.423 4.986 50 0 GJAARN CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C ZINC000012323125 221181384 /nfs/dbraw/zinc/18/13/84/221181384.db2.gz IFJYPJXTOBMJEY-UHFFFAOYSA-N 0 0 394.512 4.786 50 0 GJAARN Clc1ccc(Cc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 ZINC000012322177 221181391 /nfs/dbraw/zinc/18/13/91/221181391.db2.gz KDRAWFNMCRJHEC-UHFFFAOYSA-N 0 0 377.860 4.645 50 0 GJAARN Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(ccc(Cl)c3C)s2)on1 ZINC000012422312 221191483 /nfs/dbraw/zinc/19/14/83/221191483.db2.gz KAESMOIMEHPYKO-UHFFFAOYSA-N 0 0 398.875 4.797 50 0 GJAARN Cc1ccccc1OCCCCn1c(CCNC(=O)C(C)C)nc2ccccc21 ZINC000012438226 221193312 /nfs/dbraw/zinc/19/33/12/221193312.db2.gz GGFXBLREKDQKHF-UHFFFAOYSA-N 0 0 393.531 4.519 50 0 GJAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)CC4CCCCC4)c3)cn2n1 ZINC000012441188 221195102 /nfs/dbraw/zinc/19/51/02/221195102.db2.gz FMEBCAGTRKJEPE-UHFFFAOYSA-N 0 0 378.476 4.622 50 0 GJAARN O=C(NCc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012512475 221199655 /nfs/dbraw/zinc/19/96/55/221199655.db2.gz KHEVLPQRKRTCRX-UHFFFAOYSA-N 0 0 388.858 4.518 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1cccc2ccccc21 ZINC000012592019 221210908 /nfs/dbraw/zinc/21/09/08/221210908.db2.gz KDKOTBOCQSXWOR-AGHHOFFYSA-N 0 0 382.500 4.930 50 0 GJAARN CCN(C(=O)Cn1c2ccccc2nc1SC(F)F)c1ccc(F)cc1 ZINC000012525678 221200862 /nfs/dbraw/zinc/20/08/62/221200862.db2.gz WWORKUMIKBTNKX-UHFFFAOYSA-N 0 0 379.407 4.543 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000012523342 221201783 /nfs/dbraw/zinc/20/17/83/221201783.db2.gz SYOPRKRXUXAFKX-NTCAYCPXSA-N 0 0 382.467 4.998 50 0 GJAARN Cc1nc(CSc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)cs1 ZINC000012548956 221204664 /nfs/dbraw/zinc/20/46/64/221204664.db2.gz RUUFLOKWQYOULC-UHFFFAOYSA-N 0 0 397.569 4.610 50 0 GJAARN CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012554499 221205648 /nfs/dbraw/zinc/20/56/48/221205648.db2.gz PWXFHFXIUTXFTJ-SFHVURJKSA-N 0 0 381.520 4.533 50 0 GJAARN Cc1nnc(SCc2nc(-c3ccc(C)c(F)c3)no2)n1-c1ccc(C)cc1 ZINC000012553328 221205799 /nfs/dbraw/zinc/20/57/99/221205799.db2.gz BWDKUJDZERQLET-UHFFFAOYSA-N 0 0 395.463 4.674 50 0 GJAARN O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000012376630 221186159 /nfs/dbraw/zinc/18/61/59/221186159.db2.gz ARNVCCCCJQCVJT-UHFFFAOYSA-N 0 0 375.859 4.668 50 0 GJAARN Cc1c(C)n(CCC2=CCCCC2)c(N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012372585 221186758 /nfs/dbraw/zinc/18/67/58/221186758.db2.gz ZFKXQPSZXVVXTA-UHFFFAOYSA-N 0 0 376.497 4.550 50 0 GJAARN C/C=C/c1ccc(Oc2ccc3nnc(-c4ccccc4OC)n3n2)c(OC)c1 ZINC000012390557 221189049 /nfs/dbraw/zinc/18/90/49/221189049.db2.gz PTCCWCUKVHTPEI-QPJJXVBHSA-N 0 0 388.427 4.634 50 0 GJAARN CCOC(=O)Cn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(F)cc1 ZINC000012413523 221190095 /nfs/dbraw/zinc/19/00/95/221190095.db2.gz NKAONOYRCHWQPE-QOCHGBHMSA-N 0 0 390.867 4.805 50 0 GJAARN COc1ccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 ZINC000012596807 221212748 /nfs/dbraw/zinc/21/27/48/221212748.db2.gz MSBDGFUTQMCLPT-MRXNPFEDSA-N 0 0 392.455 4.935 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(F)c(F)cc1Cl ZINC000012600596 221212847 /nfs/dbraw/zinc/21/28/47/221212847.db2.gz ZBROKKOICDIZPD-QFSBIZTOSA-N 0 0 388.838 4.779 50 0 GJAARN C[C@@H]1CN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000012596286 221213171 /nfs/dbraw/zinc/21/31/71/221213171.db2.gz BAAFLPMPJFVFOP-OKILXGFUSA-N 0 0 378.394 4.698 50 0 GJAARN O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012604110 221214509 /nfs/dbraw/zinc/21/45/09/221214509.db2.gz PUGMVCYYFIHKLO-PEKVBPLLSA-N 0 0 396.288 4.702 50 0 GJAARN CC(C)(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F ZINC000012617053 221215082 /nfs/dbraw/zinc/21/50/82/221215082.db2.gz HRBPUEUUDZYFHC-UHFFFAOYSA-N 0 0 387.458 4.889 50 0 GJAARN COc1ccc2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)c(C)nc2c1 ZINC000012694916 221217783 /nfs/dbraw/zinc/21/77/83/221217783.db2.gz NIVQDQXDRORSHW-UHFFFAOYSA-N 0 0 375.472 4.794 50 0 GJAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCc2cccs2)C1 ZINC000012708775 221218890 /nfs/dbraw/zinc/21/88/90/221218890.db2.gz NBEZQIXPUSUFDF-LJQANCHMSA-N 0 0 379.529 4.696 50 0 GJAARN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(CO)o2)cc1 ZINC000012711622 221219041 /nfs/dbraw/zinc/21/90/41/221219041.db2.gz QHEUPFLZVMKWFH-VWLOTQADSA-N 0 0 386.495 4.963 50 0 GJAARN CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](C)c3ccccc3Cl)no2)c1 ZINC000012707968 221219396 /nfs/dbraw/zinc/21/93/96/221219396.db2.gz UCHHPPWGVULWJZ-CYBMUJFWSA-N 0 0 398.846 4.601 50 0 GJAARN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H](C)c3ccccc3Cl)no2)c1 ZINC000012707972 221219613 /nfs/dbraw/zinc/21/96/13/221219613.db2.gz UCHHPPWGVULWJZ-ZDUSSCGKSA-N 0 0 398.846 4.601 50 0 GJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1OCc1ccccc1 ZINC000012735913 221222528 /nfs/dbraw/zinc/22/25/28/221222528.db2.gz POVHNTNSJAOSTI-UHFFFAOYSA-N 0 0 386.451 4.645 50 0 GJAARN CC(C)n1ncc2cc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cnc21 ZINC000012797534 221234160 /nfs/dbraw/zinc/23/41/60/221234160.db2.gz MNESMHNKHBVKPX-UHFFFAOYSA-N 0 0 399.426 4.666 50 0 GJAARN Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(C)cc3Br)ccc2o1 ZINC000012754998 221225622 /nfs/dbraw/zinc/22/56/22/221225622.db2.gz LXLKHZBZKSLXGQ-LLVKDONJSA-N 0 0 388.265 4.646 50 0 GJAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000012755902 221225803 /nfs/dbraw/zinc/22/58/03/221225803.db2.gz OJKJKXLICFVGTC-UHFFFAOYSA-N 0 0 377.271 4.614 50 0 GJAARN O=C(CCc1ccccc1Cl)N1CCC(CO)(CCc2ccccc2)CC1 ZINC000012761141 221227750 /nfs/dbraw/zinc/22/77/50/221227750.db2.gz HPKMVEILZQJJQY-UHFFFAOYSA-N 0 0 385.935 4.507 50 0 GJAARN C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012772850 221229014 /nfs/dbraw/zinc/22/90/14/221229014.db2.gz RZOUMGXGFJZWKC-ZDUSSCGKSA-N 0 0 391.298 4.540 50 0 GJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1C ZINC000012776101 221230420 /nfs/dbraw/zinc/23/04/20/221230420.db2.gz PKEODOSTNHGTJG-CQSZACIVSA-N 0 0 398.532 4.800 50 0 GJAARN CCC[C@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000012787716 221231142 /nfs/dbraw/zinc/23/11/42/221231142.db2.gz MGZTUZSMEMOTGY-INIZCTEOSA-N 0 0 379.241 4.562 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccs1 ZINC000012788407 221231909 /nfs/dbraw/zinc/23/19/09/221231909.db2.gz DAILOFLGDLHZIJ-UHFFFAOYSA-N 0 0 392.937 4.719 50 0 GJAARN CSc1ccccc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000012790830 221232437 /nfs/dbraw/zinc/23/24/37/221232437.db2.gz VIDOLCXUYNSLTN-UHFFFAOYSA-N 0 0 388.489 4.764 50 0 GJAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc21 ZINC000012909845 221244882 /nfs/dbraw/zinc/24/48/82/221244882.db2.gz YTFDVKQGLSHPEA-UHFFFAOYSA-N 0 0 390.527 4.891 50 0 GJAARN O=C(CCCCc1nc2ccccc2s1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000012804322 221235039 /nfs/dbraw/zinc/23/50/39/221235039.db2.gz UALAVMYLOYKORW-UHFFFAOYSA-N 0 0 393.512 4.540 50 0 GJAARN CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000012814691 221236232 /nfs/dbraw/zinc/23/62/32/221236232.db2.gz TXCBCWJWBQBLSJ-UHFFFAOYSA-N 0 0 386.442 4.579 50 0 GJAARN Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000012814402 221236289 /nfs/dbraw/zinc/23/62/89/221236289.db2.gz CTIPINMHZASZLK-UHFFFAOYSA-N 0 0 389.430 4.843 50 0 GJAARN Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 ZINC000012854882 221238898 /nfs/dbraw/zinc/23/88/98/221238898.db2.gz SAHKJINZGZHYAH-UHFFFAOYSA-N 0 0 394.858 4.809 50 0 GJAARN Cc1ccccc1[C@H](C)NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000012871266 221240112 /nfs/dbraw/zinc/24/01/12/221240112.db2.gz KIPLBHZMTCJEQG-KRWDZBQOSA-N 0 0 393.556 4.662 50 0 GJAARN Cc1ccc(-c2cnc(CCC(=O)NCCc3cccc4cccnc43)o2)cc1C ZINC000012898144 221243295 /nfs/dbraw/zinc/24/32/95/221243295.db2.gz QQVQAOYPAULOET-UHFFFAOYSA-N 0 0 399.494 4.798 50 0 GJAARN COc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)cc1F ZINC000012899165 221243314 /nfs/dbraw/zinc/24/33/14/221243314.db2.gz UPHSYPTUDAFPDO-UHFFFAOYSA-N 0 0 379.431 4.686 50 0 GJAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000012896567 221243371 /nfs/dbraw/zinc/24/33/71/221243371.db2.gz KESFVYMUBIQWRS-UYAOXDASSA-N 0 0 386.499 4.587 50 0 GJAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c(F)c1 ZINC000012928147 221247939 /nfs/dbraw/zinc/24/79/39/221247939.db2.gz CUAMJLQSQOOIHL-JOCHJYFZSA-N 0 0 380.488 4.782 50 0 GJAARN Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccs3)s2)cc1 ZINC000012936828 221248332 /nfs/dbraw/zinc/24/83/32/221248332.db2.gz IKGLNRYZKSRQTI-ZROIWOOFSA-N 0 0 375.906 4.575 50 0 GJAARN COc1ccc(OC)c(NC(=O)[C@H](C)SCc2ccc(C(F)(F)F)cc2)c1 ZINC000012934489 221248470 /nfs/dbraw/zinc/24/84/70/221248470.db2.gz UEYUBYCRCVGCBU-LBPRGKRZSA-N 0 0 399.434 4.983 50 0 GJAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000012952660 221250448 /nfs/dbraw/zinc/25/04/48/221250448.db2.gz YRRYGXJTMJFKDJ-NSHDSACASA-N 0 0 388.876 4.653 50 0 GJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cc(-c2ccco2)on1 ZINC000012975847 221251336 /nfs/dbraw/zinc/25/13/36/221251336.db2.gz MVVFAVRJJYIZRL-UHFFFAOYSA-N 0 0 399.468 4.999 50 0 GJAARN CCOc1cc2c(cc1CNC(=O)c1cc(Cl)ccc1Cl)O[C@@H](C)C2 ZINC000012981170 221252255 /nfs/dbraw/zinc/25/22/55/221252255.db2.gz BOZWXBOCICYLGF-NSHDSACASA-N 0 0 380.271 4.646 50 0 GJAARN C[C@@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012992442 221253727 /nfs/dbraw/zinc/25/37/27/221253727.db2.gz KBTYZWYRZQVUPD-HNNXBMFYSA-N 0 0 375.497 4.845 50 0 GJAARN CCOc1c(Cl)cc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1OC ZINC000012919963 221245651 /nfs/dbraw/zinc/24/56/51/221245651.db2.gz VWOWVKUFCJECLG-UHFFFAOYSA-N 0 0 389.879 4.561 50 0 GJAARN COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)c1 ZINC000013331427 221265187 /nfs/dbraw/zinc/26/51/87/221265187.db2.gz HYUIUFVDXMKNLB-UHFFFAOYSA-N 0 0 394.475 4.518 50 0 GJAARN C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000013004986 221256903 /nfs/dbraw/zinc/25/69/03/221256903.db2.gz BJUYBQMAFQFOIS-NSHDSACASA-N 0 0 391.395 4.514 50 0 GJAARN Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1 ZINC000013006124 221257053 /nfs/dbraw/zinc/25/70/53/221257053.db2.gz ZMLBOECRNKHAQG-UHFFFAOYSA-N 0 0 388.467 4.773 50 0 GJAARN Cc1c(NC(=O)c2cccc(F)c2)cccc1C(=O)N1CCc2sccc2C1 ZINC000013007348 221257168 /nfs/dbraw/zinc/25/71/68/221257168.db2.gz UHZFUQLQQXISNQ-UHFFFAOYSA-N 0 0 394.471 4.646 50 0 GJAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1Cl ZINC000013039987 221258664 /nfs/dbraw/zinc/25/86/64/221258664.db2.gz YFRYPLDDOSQKGG-CQSZACIVSA-N 0 0 385.920 4.768 50 0 GJAARN Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000013594543 221275790 /nfs/dbraw/zinc/27/57/90/221275790.db2.gz KSORGAHSMHRMGC-GOSISDBHSA-N 0 0 379.529 4.552 50 0 GJAARN Oc1ccc(Cl)cc1-c1nnc2c3ccccc3c(Cc3ccccc3)nn21 ZINC000013624175 221277049 /nfs/dbraw/zinc/27/70/49/221277049.db2.gz IIERHRPDRDXGBU-UHFFFAOYSA-N 0 0 386.842 4.894 50 0 GJAARN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1 ZINC000013644062 221278661 /nfs/dbraw/zinc/27/86/61/221278661.db2.gz DIPDKZFZCVMDCW-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN O=C(C1CC1)N1c2nc(-c3ccccc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369862 221267544 /nfs/dbraw/zinc/26/75/44/221267544.db2.gz NWQGWNZMVJWGES-UXHICEINSA-N 0 0 390.531 4.920 50 0 biogenic GJAARN O=C(C1CC1)N1c2nc(-c3ccco3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370167 221268302 /nfs/dbraw/zinc/26/83/02/221268302.db2.gz UUOWMVGYICKVJB-SJORKVTESA-N 0 0 380.492 4.513 50 0 biogenic GJAARN COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000013495023 221270319 /nfs/dbraw/zinc/27/03/19/221270319.db2.gz SZZSHHXRGXTOGT-AWEZNQCLSA-N 0 0 379.460 4.534 50 0 GJAARN COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000013495021 221270510 /nfs/dbraw/zinc/27/05/10/221270510.db2.gz NQUHPDUNUYKUKK-CQSZACIVSA-N 0 0 379.460 4.534 50 0 GJAARN Cc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1C ZINC000013552812 221273326 /nfs/dbraw/zinc/27/33/26/221273326.db2.gz SBWVOUGBQJFIDL-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC(C)C)CC1=O ZINC000013759243 221287924 /nfs/dbraw/zinc/28/79/24/221287924.db2.gz NLENSOBLRDSJSC-QGZVFWFLSA-N 0 0 377.488 4.612 50 0 GJAARN O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000013691684 221281541 /nfs/dbraw/zinc/28/15/41/221281541.db2.gz NKYGAFJVWZEHOQ-XMMPIXPASA-N 0 0 392.462 4.550 50 0 GJAARN Fc1ccc(-c2nn3c(nnc3-c3ccccc3F)s2)cc1Br ZINC000013692786 221282192 /nfs/dbraw/zinc/28/21/92/221282192.db2.gz YEVANGIPBHAZIA-UHFFFAOYSA-N 0 0 393.216 4.561 50 0 GJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)Nc1cccs1 ZINC000013709025 221282856 /nfs/dbraw/zinc/28/28/56/221282856.db2.gz OHXGSRBJSJXPEF-UHFFFAOYSA-N 0 0 390.468 4.708 50 0 GJAARN COc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCC3)c2c1 ZINC000014121373 221299948 /nfs/dbraw/zinc/29/99/48/221299948.db2.gz JODTXFSMRQEYRH-UHFFFAOYSA-N 0 0 397.272 4.519 50 0 GJAARN Cc1nc2sc3c(c2c(Sc2nnc(-c4cccnc4)o2)n1)CCCCC3 ZINC000014201327 221304881 /nfs/dbraw/zinc/30/48/81/221304881.db2.gz PICYZOGVMOVXCT-UHFFFAOYSA-N 0 0 395.513 4.865 50 0 GJAARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCCc3cccs3)cc2)o1 ZINC000014238044 221305245 /nfs/dbraw/zinc/30/52/45/221305245.db2.gz DMGFSONZEIPKML-UHFFFAOYSA-N 0 0 389.480 4.746 50 0 GJAARN COc1cc2c(cc1OC)CN(C(=O)c1sc3cccc(F)c3c1C)CC2 ZINC000014242107 221306704 /nfs/dbraw/zinc/30/67/04/221306704.db2.gz OVICVBDFVYTFDC-UHFFFAOYSA-N 0 0 385.460 4.565 50 0 GJAARN C[C@H]1CCc2c(sc3ncnc(Sc4n[nH]c(-c5ccccc5)n4)c23)C1 ZINC000014252941 221308102 /nfs/dbraw/zinc/30/81/02/221308102.db2.gz YTQLOUPYBKGXOF-NSHDSACASA-N 0 0 379.514 4.752 50 0 GJAARN C[C@@H]1CCc2c(sc3ncnc(Sc4n[nH]c(-c5ccccc5)n4)c23)C1 ZINC000014252938 221308419 /nfs/dbraw/zinc/30/84/19/221308419.db2.gz YTQLOUPYBKGXOF-LLVKDONJSA-N 0 0 379.514 4.752 50 0 GJAARN C[C@H](NC(=O)c1ccc(Br)s1)c1ccccc1Br ZINC000014425840 221309995 /nfs/dbraw/zinc/30/99/95/221309995.db2.gz KDDVINYCNJYBEN-QMMMGPOBSA-N 0 0 389.112 4.764 50 0 GJAARN COc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000014401735 221310016 /nfs/dbraw/zinc/31/00/16/221310016.db2.gz GBYKNNWSSKSADV-SNVBAGLBSA-N 0 0 384.657 4.517 50 0 GJAARN C[C@@H](NC(=O)c1cn(Cc2ccccc2Cl)nn1)c1cccc2ccccc21 ZINC000014979587 221323242 /nfs/dbraw/zinc/32/32/42/221323242.db2.gz NSHNRRJNGVIXTF-OAHLLOKOSA-N 0 0 390.874 4.624 50 0 GJAARN O=C(Cc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000014611169 221313284 /nfs/dbraw/zinc/31/32/84/221313284.db2.gz XGLFISMKVFZOCV-UHFFFAOYSA-N 0 0 392.846 4.687 50 0 GJAARN CCOc1ccccc1Nc1cc(C)nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000014610330 221313324 /nfs/dbraw/zinc/31/33/24/221313324.db2.gz QWBMNEUEZIGUJF-UHFFFAOYSA-N 0 0 379.851 4.895 50 0 GJAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(C2SCCS2)cc1 ZINC000014688950 221314521 /nfs/dbraw/zinc/31/45/21/221314521.db2.gz WDXBAHFIEDMNEJ-UHFFFAOYSA-N 0 0 385.539 4.936 50 0 GJAARN Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)C2)n1 ZINC000014879770 221317053 /nfs/dbraw/zinc/31/70/53/221317053.db2.gz PCEHSEQDSOBZAL-LYSIVYOWSA-N 0 0 391.490 4.509 50 0 GJAARN Cc1cccc([C@@H]2CCCN(C(=O)c3cc(Cc4ccc(F)cc4)no3)C2)c1 ZINC000014878907 221317429 /nfs/dbraw/zinc/31/74/29/221317429.db2.gz KTDIOXWRYYBYMF-LJQANCHMSA-N 0 0 378.447 4.733 50 0 GJAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000014951749 221320058 /nfs/dbraw/zinc/32/00/58/221320058.db2.gz GETIMNYTIRVFJY-IBGZPJMESA-N 0 0 386.451 4.609 50 0 GJAARN O=C(Nc1ccc(Br)cc1Br)c1cc(F)cc(F)c1 ZINC000015303385 221334313 /nfs/dbraw/zinc/33/43/13/221334313.db2.gz AYGQYPRUVDOMMB-UHFFFAOYSA-N 0 0 391.009 4.742 50 0 GJAARN CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc12 ZINC000015393235 221334653 /nfs/dbraw/zinc/33/46/53/221334653.db2.gz GBTMVSOAFGPUFT-ZDUSSCGKSA-N 0 0 385.847 4.723 50 0 GJAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(CCc2ccccc2)no1 ZINC000014995348 221324869 /nfs/dbraw/zinc/32/48/69/221324869.db2.gz OLNQLASZATWHMU-UHFFFAOYSA-N 0 0 378.516 4.748 50 0 GJAARN CSc1ccccc1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(C)cn3)c2O1 ZINC000014987033 221325412 /nfs/dbraw/zinc/32/54/12/221325412.db2.gz RZNVLRKDWNIOFI-KRWDZBQOSA-N 0 0 390.508 4.512 50 0 GJAARN CC[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)cc2C1 ZINC000015544805 221337062 /nfs/dbraw/zinc/33/70/62/221337062.db2.gz FVOOIXANODFLPA-AWEZNQCLSA-N 0 0 398.528 4.651 50 0 GJAARN CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cn(C2CCCCC2)nn1 ZINC000015064707 221327995 /nfs/dbraw/zinc/32/79/95/221327995.db2.gz PRCCXVZCMHLVFZ-QFIPXVFZSA-N 0 0 391.519 4.660 50 0 GJAARN O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccs1)c1ccccn1 ZINC000015669877 221339022 /nfs/dbraw/zinc/33/90/22/221339022.db2.gz HQNTZILUIYUUSW-UHFFFAOYSA-N 0 0 396.855 4.750 50 0 GJAARN CCc1nc2cccnc2n1-c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000015681949 221340214 /nfs/dbraw/zinc/34/02/14/221340214.db2.gz ORHQCNZXMVTWBI-UHFFFAOYSA-N 0 0 390.874 4.566 50 0 GJAARN CC[C@@H]1CN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc2S1 ZINC000015679514 221340655 /nfs/dbraw/zinc/34/06/55/221340655.db2.gz ORFWBPGHMHXUND-CQSZACIVSA-N 0 0 388.489 4.635 50 0 GJAARN Cc1ccc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)cc1F ZINC000015721191 221340973 /nfs/dbraw/zinc/34/09/73/221340973.db2.gz XVLIIKDGXMNFGG-LJQANCHMSA-N 0 0 394.471 4.922 50 0 GJAARN Cc1oc2nc(C)nc(N3CCCC3)c2c1C(=O)Nc1ccc(Cl)cc1C ZINC000015727828 221341612 /nfs/dbraw/zinc/34/16/12/221341612.db2.gz KOOMHLMSLQKOQC-UHFFFAOYSA-N 0 0 384.867 4.654 50 0 GJAARN COc1ccc(Cn2c(C)c(C[NH2+]C3CCC(C)CC3)c(C(=O)[O-])c2C)cc1 ZINC000015777158 221344165 /nfs/dbraw/zinc/34/41/65/221344165.db2.gz UTFQYMCOAPQITL-UHFFFAOYSA-N 0 0 384.520 4.528 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)Nc3cc(Cl)ccc3C)c(C)o2)cc1 ZINC000015774808 221344527 /nfs/dbraw/zinc/34/45/27/221344527.db2.gz PDUAYHWVWWRLMQ-UHFFFAOYSA-N 0 0 385.851 4.942 50 0 GJAARN CC(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1 ZINC000015825529 221346532 /nfs/dbraw/zinc/34/65/32/221346532.db2.gz HVOKPFSPSXXMCF-UHFFFAOYSA-N 0 0 399.903 4.518 50 0 GJAARN CCCCCn1nc(SC)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839085 221346677 /nfs/dbraw/zinc/34/66/77/221346677.db2.gz KCBPXVQNAIZGLA-QFIPXVFZSA-N 0 0 396.560 4.694 50 0 GJAARN CCc1cccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)c1 ZINC000015827256 221346943 /nfs/dbraw/zinc/34/69/43/221346943.db2.gz OKAPIDBBJUXBQZ-UHFFFAOYSA-N 0 0 392.480 4.585 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000015828216 221347085 /nfs/dbraw/zinc/34/70/85/221347085.db2.gz WIACTIFEWUMXKE-KRWDZBQOSA-N 0 0 395.377 4.580 50 0 GJAARN CC[C@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccc(C)cc2)n1 ZINC000015832583 221347214 /nfs/dbraw/zinc/34/72/14/221347214.db2.gz OLZDCTSYYNUROI-SFHVURJKSA-N 0 0 384.476 4.731 50 0 GJAARN CC(=O)c1cccc(-n2c3c(c(SCc4ccc(C)cc4)nc2=O)CCC3)c1 ZINC000015840523 221347673 /nfs/dbraw/zinc/34/76/73/221347673.db2.gz OXBJBJGYMRLLJX-UHFFFAOYSA-N 0 0 390.508 4.525 50 0 GJAARN Cc1c(C)n(-c2ccc(C)c(C)c2)c2ncn3nc(Cc4ccccc4)nc3c12 ZINC000015842364 221348229 /nfs/dbraw/zinc/34/82/29/221348229.db2.gz NGRKQMUVUSDGIY-UHFFFAOYSA-N 0 0 381.483 4.893 50 0 GJAARN CCOc1ccccc1C(=O)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 ZINC000015863872 221350024 /nfs/dbraw/zinc/35/00/24/221350024.db2.gz FAUSOGHLJFYXDY-UHFFFAOYSA-N 0 0 385.467 4.999 50 0 GJAARN O=C(CSc1nc2ncccc2o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000015867757 221350171 /nfs/dbraw/zinc/35/01/71/221350171.db2.gz VLOPGRCCPIBVPV-UHFFFAOYSA-N 0 0 387.770 4.626 50 0 GJAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)NC1CCCCC1 ZINC000015863489 221350191 /nfs/dbraw/zinc/35/01/91/221350191.db2.gz KKPNMXSGNNRYQB-UHFFFAOYSA-N 0 0 375.494 4.525 50 0 GJAARN C[C@@H](OC(=O)c1ccccc1Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000016210016 221359219 /nfs/dbraw/zinc/35/92/19/221359219.db2.gz GBXSIAADVIWTPG-OAHLLOKOSA-N 0 0 385.423 4.585 50 0 GJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1OC[C@@H]1CCCO1 ZINC000016444890 221362985 /nfs/dbraw/zinc/36/29/85/221362985.db2.gz PRJBOQISAGVLRJ-ZDUSSCGKSA-N 0 0 388.876 4.760 50 0 GJAARN CCCCC/[S@@](C[C@@H]1CC1(Cl)Cl)=N\S(=O)(=O)c1ccc(C)cc1 ZINC000015962892 221353489 /nfs/dbraw/zinc/35/34/89/221353489.db2.gz KLCZTZGOIQCPOB-RCDICMHDSA-N 0 0 396.405 4.870 50 0 GJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc2c(c1)OCO2 ZINC000016014179 221355203 /nfs/dbraw/zinc/35/52/03/221355203.db2.gz RWMCQMRROZWCIS-UHFFFAOYSA-N 0 0 388.448 4.868 50 0 GJAARN Cc1ccc2nc(NC(=N)NC(=S)Nc3ccc(C)c(Cl)c3)nc(C)c2c1 ZINC000017195751 221381270 /nfs/dbraw/zinc/38/12/70/221381270.db2.gz VDIOIVOWAUSUOH-UHFFFAOYSA-N 0 0 398.923 4.542 50 0 GJAARN O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(-c2ccccc2)cc1 ZINC000017191917 221381494 /nfs/dbraw/zinc/38/14/94/221381494.db2.gz LGROQVHGDDEXSD-UHFFFAOYSA-N 0 0 395.462 4.619 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1 ZINC000017270859 221382687 /nfs/dbraw/zinc/38/26/87/221382687.db2.gz KFAPEFFNBOKFHR-UHFFFAOYSA-N 0 0 380.488 4.807 50 0 GJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000017574616 221383103 /nfs/dbraw/zinc/38/31/03/221383103.db2.gz OWVOAZBTCLPMHX-UHFFFAOYSA-N 0 0 383.502 4.758 50 0 GJAARN O=C(COCc1nc2ccccc2s1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000017341262 221384243 /nfs/dbraw/zinc/38/42/43/221384243.db2.gz PLLYOZWWRBQREW-UHFFFAOYSA-N 0 0 398.818 4.706 50 0 GJAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000016724480 221369373 /nfs/dbraw/zinc/36/93/73/221369373.db2.gz ZPLRQHAFORWROO-UHFFFAOYSA-N 0 0 381.350 4.586 50 0 GJAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690028 221369850 /nfs/dbraw/zinc/36/98/50/221369850.db2.gz SRUCLAWPDCBJCA-WBMJQRKESA-N 0 0 390.940 4.534 50 0 GJAARN COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(F)cc1 ZINC000016750725 221370298 /nfs/dbraw/zinc/37/02/98/221370298.db2.gz SUJRTAFUJWFFAA-UHFFFAOYSA-N 0 0 390.351 4.512 50 0 GJAARN Cc1cc2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2cc1C ZINC000016788550 221370724 /nfs/dbraw/zinc/37/07/24/221370724.db2.gz XPDXWTMXMRDQFO-UHFFFAOYSA-N 0 0 384.435 4.652 50 0 GJAARN Cc1cc(C)cc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000016899416 221373081 /nfs/dbraw/zinc/37/30/81/221373081.db2.gz LYDXPUAHZCHVFJ-INIZCTEOSA-N 0 0 394.418 4.764 50 0 GJAARN C[C@@H](NC(=O)c1ccc(Cn2cc(Cl)cn2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000017079198 221377322 /nfs/dbraw/zinc/37/73/22/221377322.db2.gz MOLCZNVQCWIFGH-BUBBNXEVSA-N 0 0 387.911 4.513 50 0 GJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccc(C)cc1 ZINC000017081120 221378470 /nfs/dbraw/zinc/37/84/70/221378470.db2.gz BMPMMSZJLJASHS-UHFFFAOYSA-N 0 0 396.537 4.997 50 0 GJAARN CCOC(=O)c1c(NC(=S)N2C[C@H](C)C[C@H](C)C2)sc2c1CCCCC2 ZINC000017750956 221385419 /nfs/dbraw/zinc/38/54/19/221385419.db2.gz DJJDELITCURDFD-OKILXGFUSA-N 0 0 394.606 4.868 50 0 GJAARN COc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)cc1 ZINC000018128515 221387245 /nfs/dbraw/zinc/38/72/45/221387245.db2.gz QCYDFBYWJOJOQH-AWEZNQCLSA-N 0 0 379.847 4.795 50 0 GJAARN CCOc1cc2c(cc1NC(=O)c1c(C)onc1-c1ccccc1)O[C@@H](C)C2 ZINC000018238352 221391730 /nfs/dbraw/zinc/39/17/30/221391730.db2.gz OIHHHTMTJCQRAY-ZDUSSCGKSA-N 0 0 378.428 4.624 50 0 GJAARN CCc1ccc(CN(C)C(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)cc1 ZINC000018960734 221394271 /nfs/dbraw/zinc/39/42/71/221394271.db2.gz CHVISBDLXUPSLH-UHFFFAOYSA-N 0 0 393.556 4.622 50 0 GJAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000020707172 221508985 /nfs/dbraw/zinc/50/89/85/221508985.db2.gz WDEVPXJRKQHSOB-NRFANRHFSA-N 0 0 396.874 4.581 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c(C)c1 ZINC000021034059 221524718 /nfs/dbraw/zinc/52/47/18/221524718.db2.gz FQGBGVJBJQQDPS-UHFFFAOYSA-N 0 0 382.485 4.945 50 0 GJAARN O=C(Nc1ccccc1F)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021100905 221526162 /nfs/dbraw/zinc/52/61/62/221526162.db2.gz PLZOHRKTDIOOGX-UHFFFAOYSA-N 0 0 376.435 4.565 50 0 biogenic GJAARN C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(F)c1 ZINC000032753110 533559068 /nfs/dbraw/zinc/55/90/68/533559068.db2.gz ACCABHSMSZTRDV-OAHLLOKOSA-N 0 0 392.434 4.909 50 0 GJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)NCCC1=CCCCC1 ZINC000064663408 136157385 /nfs/dbraw/zinc/15/73/85/136157385.db2.gz YASLBTUFFKDQKY-QFIPXVFZSA-N 0 0 390.527 4.851 50 0 GJAARN Cc1cccc(NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)c1 ZINC000064872679 136158020 /nfs/dbraw/zinc/15/80/20/136158020.db2.gz VHZVZRDZZBGZGS-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1cc(C)cc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 ZINC000064872512 136158053 /nfs/dbraw/zinc/15/80/53/136158053.db2.gz HULYJRFDZVZORA-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000065074902 136159048 /nfs/dbraw/zinc/15/90/48/136159048.db2.gz GLESUHIQFXNTBA-SANMLTNESA-N 0 0 398.506 4.581 50 0 GJAARN Cc1cccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)c1C ZINC000067285463 136164611 /nfs/dbraw/zinc/16/46/11/136164611.db2.gz NSJAQNNDURITRF-UHFFFAOYSA-N 0 0 397.526 4.648 50 0 GJAARN Cc1sc2ncnc(N3CCc4onc(-c5cccc(F)c5)c4C3)c2c1C ZINC000067770478 136164930 /nfs/dbraw/zinc/16/49/30/136164930.db2.gz OZOBWSYJUGYTGI-UHFFFAOYSA-N 0 0 380.448 4.665 50 0 GJAARN Cc1ccc(-c2ncc(C(=O)NC3CCN(c4ccccc4)CC3)s2)c(C)c1 ZINC000069452272 136165090 /nfs/dbraw/zinc/16/50/90/136165090.db2.gz ACJJEQBQVLFBNT-UHFFFAOYSA-N 0 0 391.540 4.826 50 0 GJAARN Cc1cc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc(-c2ccccn2)n1 ZINC000068669603 136165137 /nfs/dbraw/zinc/16/51/37/136165137.db2.gz ARHZABNZPPRAMG-UHFFFAOYSA-N 0 0 392.890 4.600 50 0 GJAARN c1cc2c(ncnc2N2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)s1 ZINC000071889483 136166822 /nfs/dbraw/zinc/16/68/22/136166822.db2.gz BDVYRMPXANGRCZ-MRXNPFEDSA-N 0 0 389.484 4.515 50 0 GJAARN CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccc(F)cc21 ZINC000072303453 136167900 /nfs/dbraw/zinc/16/79/00/136167900.db2.gz HYVMSIRKWGIFDZ-UHFFFAOYSA-N 0 0 399.853 4.550 50 0 GJAARN O=C(c1ccc(N2CCC[C@H](CCc3cccc(F)c3)C2)nc1)N1CCCCC1 ZINC000072421069 136169918 /nfs/dbraw/zinc/16/99/18/136169918.db2.gz SFZNALSVIDZOCV-HXUWFJFHSA-N 0 0 395.522 4.696 50 0 GJAARN CC[C@H](C)C1=NS(=O)(=O)c2cc(NC(=O)C(C)C)ccc2N1c1ccccc1 ZINC000096287022 136186072 /nfs/dbraw/zinc/18/60/72/136186072.db2.gz HBBCMUNBYNNIPT-HNNXBMFYSA-N 0 0 399.516 4.566 50 0 GJAARN CCc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000096323156 136186615 /nfs/dbraw/zinc/18/66/15/136186615.db2.gz KWYZAFVSSZEZPL-UHFFFAOYSA-N 0 0 386.499 4.561 50 0 GJAARN OC1CCN(c2nc(/C=C\c3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000096630466 136187531 /nfs/dbraw/zinc/18/75/31/136187531.db2.gz JTPWIQKYRCUGLT-KHPPLWFESA-N 0 0 391.540 4.702 50 0 GJAARN COc1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3)C2=O)c1 ZINC000102981501 136190523 /nfs/dbraw/zinc/19/05/23/136190523.db2.gz NFEAWBAKQKZFDI-JCMHNJIXSA-N 0 0 384.435 4.644 50 0 GJAARN CC[C@H](C)N/C=C1/c2ccccc2C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000105898188 136191455 /nfs/dbraw/zinc/19/14/55/136191455.db2.gz HKUPKVSANUCVKJ-WIOAZZGGSA-N 0 0 388.389 4.621 50 0 GJAARN Cc1ccc([C@@H]2C(=O)N(c3ccccc3C)CC(=O)N2c2ccc(C)cc2C)o1 ZINC000004090862 136193675 /nfs/dbraw/zinc/19/36/75/136193675.db2.gz HOVTWMLDWFDXNL-HSZRJFAPSA-N 0 0 388.467 4.634 50 0 biogenic GJAARN CC(C)Cc1ccc(/C=C\C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000005764702 136194927 /nfs/dbraw/zinc/19/49/27/136194927.db2.gz FQIUKJDZZYWXQO-KHPPLWFESA-N 0 0 382.935 4.901 50 0 GJAARN CCOC(=O)[C@@H]1CCCN(C(=O)N2c3ccccc3Sc3ccccc32)C1 ZINC000005561396 136194969 /nfs/dbraw/zinc/19/49/69/136194969.db2.gz CEVIWJQBCSMWNQ-OAHLLOKOSA-N 0 0 382.485 4.684 50 0 GJAARN Cc1nc2sc3c(c2c(N2CCN(c4ccccc4)CC2)n1)CCCCC3 ZINC000006822413 136195174 /nfs/dbraw/zinc/19/51/74/136195174.db2.gz CRRSUUBMUOYXIG-UHFFFAOYSA-N 0 0 378.545 4.595 50 0 GJAARN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccs1 ZINC000001065416 136196079 /nfs/dbraw/zinc/19/60/79/136196079.db2.gz YFLGDBKFXXZCAR-UHFFFAOYSA-N 0 0 379.938 4.519 50 0 aggregator GJAARN Cc1ccc(C)c(COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000021763201 136203168 /nfs/dbraw/zinc/20/31/68/136203168.db2.gz YPACMBSUPTVRKE-UHFFFAOYSA-N 0 0 392.421 4.677 50 0 GJAARN O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000022507698 136204044 /nfs/dbraw/zinc/20/40/44/136204044.db2.gz OQYWUVHMSHQARY-UHFFFAOYSA-N 0 0 399.494 4.530 50 0 GJAARN FC(F)Oc1cc(Br)c(Br)c(OC(F)(F)F)c1 ZINC000263624397 209083063 /nfs/dbraw/zinc/08/30/63/209083063.db2.gz QDBMAJWNPUQUBU-UHFFFAOYSA-N 0 0 385.908 4.712 50 0 GJAARN Cc1nc(-c2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cc2)no1 ZINC000021353824 221531060 /nfs/dbraw/zinc/53/10/60/221531060.db2.gz HTENDDZFVLMNQC-UHFFFAOYSA-N 0 0 376.460 4.532 50 0 GJAARN O=C(c1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000021715401 221538727 /nfs/dbraw/zinc/53/87/27/221538727.db2.gz YJOYJYFMRWEULL-XMMPIXPASA-N 0 0 396.446 4.685 50 0 GJAARN O=C(OCCO)c1c2c(nc3ccccc31)/C(=C/c1c(F)cccc1Cl)CC2 ZINC000021712150 221538904 /nfs/dbraw/zinc/53/89/04/221538904.db2.gz WFYCPDCXYZTDFE-OUKQBFOZSA-N 0 0 397.833 4.663 50 0 GJAARN CC[C@@H](Sc1nc2ncccc2o1)C(=O)Nc1ccccc1C(F)(F)F ZINC000021920235 221547684 /nfs/dbraw/zinc/54/76/84/221547684.db2.gz LSYOEHNAFLMZNR-CYBMUJFWSA-N 0 0 381.379 4.751 50 0 GJAARN CC(C)(C)c1ccc2c(c1)C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)O2 ZINC000022623268 221565099 /nfs/dbraw/zinc/56/50/99/221565099.db2.gz AGQJQCQFQUMHRO-HNNXBMFYSA-N 0 0 377.406 4.736 50 0 GJAARN Cc1ccc(S(=O)(=O)N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022632268 221565199 /nfs/dbraw/zinc/56/51/99/221565199.db2.gz JIXPOAQULFKUJZ-UHFFFAOYSA-N 0 0 397.462 4.657 50 0 GJAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(C)nc2)c1 ZINC000023508803 221599237 /nfs/dbraw/zinc/59/92/37/221599237.db2.gz GBKGGFJPTSVJTC-SFHVURJKSA-N 0 0 387.483 4.752 50 0 GJAARN CNC(=O)c1cccc(CNc2nc(C)nc3scc(-c4cccs4)c32)c1 ZINC000026729230 221646354 /nfs/dbraw/zinc/64/63/54/221646354.db2.gz MEALZQLKOJSTSY-UHFFFAOYSA-N 0 0 394.525 4.700 50 0 GJAARN NC(=O)[C@@H](Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccccc1 ZINC000028370394 221676183 /nfs/dbraw/zinc/67/61/83/221676183.db2.gz GUOXSMJTMKPAGC-FQEVSTJZSA-N 0 0 384.838 4.697 50 0 GJAARN O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000031727540 221713011 /nfs/dbraw/zinc/71/30/11/221713011.db2.gz ZLPBLSBOBJQALZ-UHFFFAOYSA-N 0 0 391.298 4.801 50 0 GJAARN CCCCC1CCC(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000032760615 221731979 /nfs/dbraw/zinc/73/19/79/221731979.db2.gz PAAYDXJQAXBLRH-SOAGJPPSSA-N 0 0 386.584 4.707 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)c2c1C ZINC000032960275 221757503 /nfs/dbraw/zinc/75/75/03/221757503.db2.gz DGPXZDMJBGNYRE-GOSISDBHSA-N 0 0 392.503 4.620 50 0 GJAARN CC1CCN(c2ccc(-c3noc(-c4cc5ccccc5oc4=O)n3)cc2)CC1 ZINC000032975265 221758796 /nfs/dbraw/zinc/75/87/96/221758796.db2.gz XCLBEYRTEBXRJZ-UHFFFAOYSA-N 0 0 387.439 4.746 50 0 GJAARN Cc1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000033012314 221764188 /nfs/dbraw/zinc/76/41/88/221764188.db2.gz RDZPRXKHXLWJES-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)CCc1ccccc1 ZINC000033141866 221776222 /nfs/dbraw/zinc/77/62/22/221776222.db2.gz QLIVWZPXZYBBCI-UHFFFAOYSA-N 0 0 397.478 4.574 50 0 GJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccccc3Cl)c2c1 ZINC000033298717 221784573 /nfs/dbraw/zinc/78/45/73/221784573.db2.gz UVIPTRJIXQHGDI-UHFFFAOYSA-N 0 0 398.875 4.504 50 0 GJAARN O=C(Nc1c(-c2ccccc2)n[nH]c1C1CCOCC1)c1ccccc1Cl ZINC000034796882 221804388 /nfs/dbraw/zinc/80/43/88/221804388.db2.gz UNGWXGMWVPZLIM-UHFFFAOYSA-N 0 0 381.863 4.876 50 0 GJAARN O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F ZINC000034431012 221798786 /nfs/dbraw/zinc/79/87/86/221798786.db2.gz KVDJTXBXMWJJEF-UHFFFAOYSA-N 0 0 396.718 4.745 50 0 in-vitro GJAARN CCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)c1ccccc1Cl ZINC000034794073 221805167 /nfs/dbraw/zinc/80/51/67/221805167.db2.gz KWHMSXSJVYXBHY-UHFFFAOYSA-N 0 0 385.851 4.562 50 0 GJAARN CCc1cc(NC(=O)c2ccccc2Br)nn1-c1cccc(C)c1 ZINC000034907414 221808698 /nfs/dbraw/zinc/80/86/98/221808698.db2.gz AQJJIUHJVZXGAB-UHFFFAOYSA-N 0 0 384.277 4.758 50 0 GJAARN Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035400306 221821187 /nfs/dbraw/zinc/82/11/87/221821187.db2.gz GHPNMTWUPZIAGX-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C\c2cccc(C(F)(F)F)c2)cc1 ZINC000035419453 221822282 /nfs/dbraw/zinc/82/22/82/221822282.db2.gz CVYVNTCDLRUUEL-UQTJOTSZSA-N 0 0 391.389 4.851 50 0 GJAARN Cc1oc2ncn(C3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(C)c(C)c1 ZINC000035672394 221831719 /nfs/dbraw/zinc/83/17/19/221831719.db2.gz YTIHHOYUQCOIJG-UHFFFAOYSA-N 0 0 379.460 4.672 50 0 GJAARN COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036246423 221848189 /nfs/dbraw/zinc/84/81/89/221848189.db2.gz DJIRIOKOXPPAFT-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN Cc1ccc(F)cc1S(=O)(=O)N(Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000036248211 221848642 /nfs/dbraw/zinc/84/86/42/221848642.db2.gz WNSCQIWLKCSPIO-UHFFFAOYSA-N 0 0 391.414 4.808 50 0 GJAARN COc1ccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000036246679 221848817 /nfs/dbraw/zinc/84/88/17/221848817.db2.gz RYZXVHUIEMAGSF-GOSISDBHSA-N 0 0 381.497 4.960 50 0 GJAARN O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCCCC1 ZINC000036357363 221854524 /nfs/dbraw/zinc/85/45/24/221854524.db2.gz WUUXUUWHXOYAHD-QFIPXVFZSA-N 0 0 388.511 4.756 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c1OC ZINC000036364929 221854914 /nfs/dbraw/zinc/85/49/14/221854914.db2.gz FFTBPQXONDJGNK-HNNXBMFYSA-N 0 0 383.835 4.667 50 0 GJAARN COc1cccc(Oc2cc(N3CCC(Cc4ccccc4)CC3)ncn2)c1 ZINC000037355767 221870063 /nfs/dbraw/zinc/87/00/63/221870063.db2.gz RGFKAWLGXIUTEB-UHFFFAOYSA-N 0 0 375.472 4.737 50 0 GJAARN O=C(NCC1CC1)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000037525741 221873114 /nfs/dbraw/zinc/87/31/14/221873114.db2.gz HXKMNCCHQKIWTN-UHFFFAOYSA-N 0 0 378.419 4.910 50 0 GJAARN Cc1cnc2c(cccc2S(=O)(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000039551369 221891785 /nfs/dbraw/zinc/89/17/85/221891785.db2.gz NYRMZTLNUZQJLW-CQSZACIVSA-N 0 0 397.525 4.535 50 0 GJAARN CCc1ccc2nc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)sc2c1 ZINC000040119794 221907860 /nfs/dbraw/zinc/90/78/60/221907860.db2.gz ZYNOCGTXTYPLSF-UHFFFAOYSA-N 0 0 380.498 4.959 50 0 GJAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478421 221925575 /nfs/dbraw/zinc/92/55/75/221925575.db2.gz NNHRVMMPQBSTGG-UHFFFAOYSA-N 0 0 379.769 4.679 50 0 GJAARN CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(Cl)cc1 ZINC000041076928 221937094 /nfs/dbraw/zinc/93/70/94/221937094.db2.gz WJXHKLJDFACTFI-UHFFFAOYSA-N 0 0 383.879 4.852 50 0 GJAARN O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000044921245 221958537 /nfs/dbraw/zinc/95/85/37/221958537.db2.gz TWPPARKSXQMSLM-SFHVURJKSA-N 0 0 395.528 4.577 50 0 GJAARN O=C(COc1ccc2ccccc2c1)NCc1ccc(OCc2ccccn2)cc1 ZINC000055649728 222024373 /nfs/dbraw/zinc/02/43/73/222024373.db2.gz CUDVNICDNFWZGU-UHFFFAOYSA-N 0 0 398.462 4.509 50 0 GJAARN O=C(NCc1cccc2ccccc21)N1CCC[C@@H](COCc2ccccc2)C1 ZINC000056923430 222026678 /nfs/dbraw/zinc/02/66/78/222026678.db2.gz KNQPQJIRKAXMOP-OAQYLSRUSA-N 0 0 388.511 4.978 50 0 GJAARN O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057413539 222031525 /nfs/dbraw/zinc/03/15/25/222031525.db2.gz QBPTUTMCAVIHAD-UHFFFAOYSA-N 0 0 379.769 4.679 50 0 GJAARN COc1cc(OC)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1Cl ZINC000057412680 222031593 /nfs/dbraw/zinc/03/15/93/222031593.db2.gz SSBKAQFTRIMVGO-UHFFFAOYSA-N 0 0 392.242 4.653 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)c(OC)c1 ZINC000057412983 222031946 /nfs/dbraw/zinc/03/19/46/222031946.db2.gz QKNLCGTUFWRGKC-UHFFFAOYSA-N 0 0 392.242 4.653 50 0 GJAARN Cc1ccc(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)cc1C ZINC000045942901 221966350 /nfs/dbraw/zinc/96/63/50/221966350.db2.gz RLDGGIANSWZSNV-UHFFFAOYSA-N 0 0 397.887 4.520 50 0 GJAARN Cc1cc(C)c(C(=O)CCCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1 ZINC000048276757 221983791 /nfs/dbraw/zinc/98/37/91/221983791.db2.gz ZLTUMZZOTPQCSN-JOCHJYFZSA-N 0 0 397.490 4.704 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000050294898 222001862 /nfs/dbraw/zinc/00/18/62/222001862.db2.gz JYIAPKPROIFWLO-UHFFFAOYSA-N 0 0 378.910 4.999 50 0 GJAARN O=C(/C=C\c1ccc2ccccc2n1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000050590293 222004278 /nfs/dbraw/zinc/00/42/78/222004278.db2.gz ZXFDTUGAPTYJEB-SWNWVQGVSA-N 0 0 382.467 4.531 50 0 GJAARN O=C(/C=C\c1ccc(Br)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000050647386 222004703 /nfs/dbraw/zinc/00/47/03/222004703.db2.gz PUGMVCYYFIHKLO-ZVBPTUHVSA-N 0 0 396.288 4.702 50 0 GJAARN Cc1[nH]nc(C(=O)Nc2cccc(C3SCCCS3)c2)c1Br ZINC000053122602 222008048 /nfs/dbraw/zinc/00/80/48/222008048.db2.gz HMVYWTAWWCIKEZ-UHFFFAOYSA-N 0 0 398.351 4.602 50 0 GJAARN COc1ccccc1CN(Cc1cccnc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055403945 222021986 /nfs/dbraw/zinc/02/19/86/222021986.db2.gz ACURERQJRHPOEV-UHFFFAOYSA-N 0 0 387.405 4.706 50 0 GJAARN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccccc2Br)on1 ZINC000064985079 222092809 /nfs/dbraw/zinc/09/28/09/222092809.db2.gz XHQRFWMRKRXHDT-HNNXBMFYSA-N 0 0 378.270 4.930 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064983919 222092812 /nfs/dbraw/zinc/09/28/12/222092812.db2.gz AYOJVJAHHPBQCA-IBGZPJMESA-N 0 0 379.909 4.655 50 0 GJAARN COC(=O)c1sc2ccc(NC(=O)NCCC(C)C)cc2c1OCC(C)C ZINC000065023082 222094905 /nfs/dbraw/zinc/09/49/05/222094905.db2.gz NSTNJGDOWBRDJQ-UHFFFAOYSA-N 0 0 392.521 4.890 50 0 GJAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)ccc21 ZINC000065026958 222095070 /nfs/dbraw/zinc/09/50/70/222095070.db2.gz DFMFWGYXPKVAEE-KRWDZBQOSA-N 0 0 384.479 4.754 50 0 GJAARN Cc1ccc(C(=O)N2CCC(c3noc(-c4ccccc4C)n3)CC2)cc1C ZINC000065076786 222097907 /nfs/dbraw/zinc/09/79/07/222097907.db2.gz NFPYXOZXABKWQL-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000065085328 222099087 /nfs/dbraw/zinc/09/90/87/222099087.db2.gz JXEKUZHHNWXRJH-UHFFFAOYSA-N 0 0 385.510 4.758 50 0 GJAARN O=C(NC1CCCCCC1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085418 222099407 /nfs/dbraw/zinc/09/94/07/222099407.db2.gz NEGMFWHSUNSHHE-UHFFFAOYSA-N 0 0 397.949 4.687 50 0 GJAARN COc1ccccc1NC(=O)Cc1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000065079376 222099761 /nfs/dbraw/zinc/09/97/61/222099761.db2.gz RNGYFWADAIFWQQ-UHFFFAOYSA-N 0 0 397.887 4.906 50 0 GJAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000065110972 222100265 /nfs/dbraw/zinc/10/02/65/222100265.db2.gz BDGYHBLJBZRZRX-UHFFFAOYSA-N 0 0 383.448 4.756 50 0 GJAARN O=C(NCc1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)s1)C1CC1 ZINC000065097170 222100475 /nfs/dbraw/zinc/10/04/75/222100475.db2.gz WUJRMBVWHIBXBI-UHFFFAOYSA-N 0 0 393.390 4.510 50 0 GJAARN Cc1cc(C)cc(NC(=O)CSc2nccnc2Oc2ccccc2C)c1 ZINC000065111163 222100981 /nfs/dbraw/zinc/10/09/81/222100981.db2.gz XWHROVYXNGXFFC-UHFFFAOYSA-N 0 0 379.485 4.925 50 0 GJAARN CCc1csc(-c2csc(S(=O)(=O)NCc3cccc(Cl)c3)c2)n1 ZINC000065116827 222101808 /nfs/dbraw/zinc/10/18/08/222101808.db2.gz ZJNWNJNVVREQQI-UHFFFAOYSA-N 0 0 398.962 4.566 50 0 GJAARN Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1C ZINC000065136867 222103109 /nfs/dbraw/zinc/10/31/09/222103109.db2.gz VLEYSOURPHSDJR-FQEVSTJZSA-N 0 0 393.531 4.644 50 0 GJAARN O=C(C1CCCCC1)N1CCC[C@@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148338 222103417 /nfs/dbraw/zinc/10/34/17/222103417.db2.gz PHYINDJPZGUVTN-QGZVFWFLSA-N 0 0 382.483 4.646 50 0 GJAARN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 ZINC000065148069 222103447 /nfs/dbraw/zinc/10/34/47/222103447.db2.gz HLNOOWADDOSISN-QGZVFWFLSA-N 0 0 392.528 4.539 50 0 GJAARN Cc1ccccc1C(=O)N1CCC[C@@H](c2ccnc(Nc3cccc(F)c3)n2)C1 ZINC000065148456 222103900 /nfs/dbraw/zinc/10/39/00/222103900.db2.gz DLFPZGDLRXZXGE-QGZVFWFLSA-N 0 0 390.462 4.688 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(-c4ccc(F)cc4)n3)C2)cc1F ZINC000065135642 222104011 /nfs/dbraw/zinc/10/40/11/222104011.db2.gz GZEQGIOWCAODIR-SFHVURJKSA-N 0 0 393.437 4.750 50 0 GJAARN O=C(Nc1ccccc1F)c1cccn1Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000065137071 222104131 /nfs/dbraw/zinc/10/41/31/222104131.db2.gz NYTNCYULKWFAFX-UHFFFAOYSA-N 0 0 396.809 4.631 50 0 GJAARN Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1C ZINC000065153749 222105070 /nfs/dbraw/zinc/10/50/70/222105070.db2.gz RBYJLXJJNTTXSK-UHFFFAOYSA-N 0 0 394.478 4.752 50 0 GJAARN CC[C@H](NC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1)c1cccs1 ZINC000065171677 222105574 /nfs/dbraw/zinc/10/55/74/222105574.db2.gz UYDGSFWOJDOUNR-SFHVURJKSA-N 0 0 392.528 4.686 50 0 GJAARN CC[C@H](C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1)c1ccccc1 ZINC000065178412 222105606 /nfs/dbraw/zinc/10/56/06/222105606.db2.gz WRCFMQRXYYLGHI-NRFANRHFSA-N 0 0 389.499 4.712 50 0 GJAARN O=C(c1cc(F)ccc1F)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180418 222107689 /nfs/dbraw/zinc/10/76/89/222107689.db2.gz XKVIBJNIMDUWEB-UHFFFAOYSA-N 0 0 377.406 4.563 50 0 GJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)Nc1cccc(F)c1 ZINC000065194888 222109159 /nfs/dbraw/zinc/10/91/59/222109159.db2.gz IMLCCFYOAWUREY-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN CC(C)Cn1ccc2cc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)ccc21 ZINC000058026674 222038236 /nfs/dbraw/zinc/03/82/36/222038236.db2.gz GGTFZKNPCKRAOF-AWEZNQCLSA-N 0 0 393.512 4.982 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000058156992 222041927 /nfs/dbraw/zinc/04/19/27/222041927.db2.gz IINBZCOAKFBYLQ-INIZCTEOSA-N 0 0 398.890 4.738 50 0 GJAARN Cc1sc2nc([C@@H](C)N3CCC(Nc4ccccc4C)CC3)[nH]c(=O)c2c1C ZINC000058178021 222043300 /nfs/dbraw/zinc/04/33/00/222043300.db2.gz NKUQIXATSBPNNS-OAHLLOKOSA-N 0 0 396.560 4.547 50 0 GJAARN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000058179558 222044284 /nfs/dbraw/zinc/04/42/84/222044284.db2.gz NYOOQNGKMZMCHD-INIZCTEOSA-N 0 0 395.430 4.537 50 0 GJAARN O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)N1CCc2sccc2C1 ZINC000058251470 222047376 /nfs/dbraw/zinc/04/73/76/222047376.db2.gz ABGCNSAUKRYDPV-UHFFFAOYSA-N 0 0 392.406 4.543 50 0 GJAARN COc1ccc([C@H](C)NC(=O)[C@@H](SCc2ccccc2)C(C)C)c(OC)c1 ZINC000058306770 222049121 /nfs/dbraw/zinc/04/91/21/222049121.db2.gz SDSDTYMSTRRWTF-KKSFZXQISA-N 0 0 387.545 4.839 50 0 GJAARN CC(=O)Nc1ccc(Br)cc1NC(=O)c1csc2c1CCCC2 ZINC000058330760 222049497 /nfs/dbraw/zinc/04/94/97/222049497.db2.gz LVIUKPKACRMVSJ-UHFFFAOYSA-N 0 0 393.306 4.600 50 0 GJAARN C[C@]1(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1(Cl)Cl ZINC000058377707 222051377 /nfs/dbraw/zinc/05/13/77/222051377.db2.gz GFLRKGJHONZRKG-CQSZACIVSA-N 0 0 393.101 4.761 50 0 GJAARN Cc1ccc([C@H](O)CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 ZINC000058415561 222052106 /nfs/dbraw/zinc/05/21/06/222052106.db2.gz ZCHOCFYKUUWNAR-MRXNPFEDSA-N 0 0 394.521 4.797 50 0 GJAARN CC(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)c1 ZINC000059251801 222056320 /nfs/dbraw/zinc/05/63/20/222056320.db2.gz ULVVEFRPUWIQRM-UHFFFAOYSA-N 0 0 390.487 4.689 50 0 GJAARN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000058983910 222056324 /nfs/dbraw/zinc/05/63/24/222056324.db2.gz IKIGXECOJGUXQF-HNNXBMFYSA-N 0 0 381.369 4.700 50 0 GJAARN COc1cccc(NC(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c1 ZINC000060358473 222059471 /nfs/dbraw/zinc/05/94/71/222059471.db2.gz NUPOBJCOLCJFOL-LJQANCHMSA-N 0 0 398.503 4.732 50 0 GJAARN CC(C)(C)OC(=O)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000061968131 222064717 /nfs/dbraw/zinc/06/47/17/222064717.db2.gz IDGXQQZGIYSAOK-UHFFFAOYSA-N 0 0 383.414 4.702 50 0 GJAARN COc1ccc(CNC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000062017455 222065942 /nfs/dbraw/zinc/06/59/42/222065942.db2.gz UMBYBDYUQGIGDK-UHFFFAOYSA-N 0 0 384.486 4.545 50 0 GJAARN COc1ccc2[nH]cc(C3=CCN(C(=O)CNc4ccccc4Cl)CC3)c2c1 ZINC000063645382 222067665 /nfs/dbraw/zinc/06/76/65/222067665.db2.gz JXBZCOABQCAGIP-UHFFFAOYSA-N 0 0 395.890 4.558 50 0 GJAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCC(C)CC1 ZINC000063857677 222069202 /nfs/dbraw/zinc/06/92/02/222069202.db2.gz NEJKJROKFPIFGA-UHFFFAOYSA-N 0 0 376.504 4.860 50 0 GJAARN CCCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@@H]3C)c2C)cn1 ZINC000063847794 222069454 /nfs/dbraw/zinc/06/94/54/222069454.db2.gz IVCPEXJDFQMRCA-INIZCTEOSA-N 0 0 376.504 4.750 50 0 GJAARN CCCCn1cc(-c2cc(C(=O)N3CCC[C@@H]3C)c3cccc(C)c3n2)cn1 ZINC000063872171 222069732 /nfs/dbraw/zinc/06/97/32/222069732.db2.gz BUMROEJZLHESGG-KRWDZBQOSA-N 0 0 376.504 4.831 50 0 GJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc2c1CCCC2 ZINC000064438977 222070645 /nfs/dbraw/zinc/07/06/45/222070645.db2.gz YJKWNOLTOGFIRG-UHFFFAOYSA-N 0 0 375.472 4.776 50 0 GJAARN COc1cccc2c(Nc3ccc(C)cc3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568490 222075358 /nfs/dbraw/zinc/07/53/58/222075358.db2.gz ZLFARRKUTNEKNI-UHFFFAOYSA-N 0 0 375.472 4.922 50 0 GJAARN CC(=O)N1N=C(c2cccc(Br)c2)O[C@H]1c1ccc(C(C)C)cc1 ZINC000064567369 222075612 /nfs/dbraw/zinc/07/56/12/222075612.db2.gz LAHCYUCXFRWPDS-IBGZPJMESA-N 0 0 387.277 4.812 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(C(=O)OC(C)C)cc2ccsc21 ZINC000064659104 222076314 /nfs/dbraw/zinc/07/63/14/222076314.db2.gz GZMJJKBZVDCUPG-UHFFFAOYSA-N 0 0 390.892 4.869 50 0 GJAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCc1ccccn1 ZINC000064657628 222076547 /nfs/dbraw/zinc/07/65/47/222076547.db2.gz YUAWIKNGAVXBGH-UHFFFAOYSA-N 0 0 381.888 4.735 50 0 GJAARN CC[C@@H]1Cn2c(C(=O)NCCc3ccccc3C)cc3c2c(ccc3Cl)O1 ZINC000064658098 222076746 /nfs/dbraw/zinc/07/67/46/222076746.db2.gz AFGMIAMJCSGWNK-MRXNPFEDSA-N 0 0 382.891 4.747 50 0 GJAARN COc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1OC ZINC000064611143 222077096 /nfs/dbraw/zinc/07/70/96/222077096.db2.gz ISGSDNMFEXVXFX-UHFFFAOYSA-N 0 0 388.427 4.663 50 0 GJAARN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000064669007 222077357 /nfs/dbraw/zinc/07/73/57/222077357.db2.gz AUARFXWQKIAQOS-QGZVFWFLSA-N 0 0 395.462 4.653 50 0 GJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000064747528 222080298 /nfs/dbraw/zinc/08/02/98/222080298.db2.gz WXHNJZSXZKPGFJ-LJQANCHMSA-N 0 0 392.459 4.731 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(F)c3)no2)c(C)c1 ZINC000064747391 222080680 /nfs/dbraw/zinc/08/06/80/222080680.db2.gz MSWYDIALHRESSV-SFHVURJKSA-N 0 0 380.423 4.862 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000064800765 222081942 /nfs/dbraw/zinc/08/19/42/222081942.db2.gz NPCOKGCTHAQPMA-UHFFFAOYSA-N 0 0 381.867 4.866 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1 ZINC000064800812 222081966 /nfs/dbraw/zinc/08/19/66/222081966.db2.gz MCIAANPCFONBQU-UHFFFAOYSA-N 0 0 387.487 4.690 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000064800731 222081976 /nfs/dbraw/zinc/08/19/76/222081976.db2.gz QXDBQTFTUSHZAM-UHFFFAOYSA-N 0 0 375.476 4.830 50 0 GJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000064837642 222084056 /nfs/dbraw/zinc/08/40/56/222084056.db2.gz QFAAGCADIJYZBJ-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN Cc1ccccc1-c1nc(-c2ccc3c(c2)nc(C)c(=O)n3C2CCCC2)no1 ZINC000064890512 222086413 /nfs/dbraw/zinc/08/64/13/222086413.db2.gz XWQVNDSPMJIDJG-UHFFFAOYSA-N 0 0 386.455 4.845 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3ccc(F)cc3C)cs2)c2cccnc21 ZINC000065240987 222115255 /nfs/dbraw/zinc/11/52/55/222115255.db2.gz NBLBRAXGCOJECB-UHFFFAOYSA-N 0 0 394.475 4.808 50 0 GJAARN COCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(Cl)cc2)n1 ZINC000065250682 222116332 /nfs/dbraw/zinc/11/63/32/222116332.db2.gz BMBTUAVKBLSFPK-UHFFFAOYSA-N 0 0 395.850 4.574 50 0 GJAARN CCOC(=O)c1sc2nc(-c3ccc(O)cc3)c(NC3CCCCC3)n2c1C ZINC000065318749 222123375 /nfs/dbraw/zinc/12/33/75/222123375.db2.gz HIPCDSYVYKPQDO-UHFFFAOYSA-N 0 0 399.516 4.998 50 0 GJAARN CC(=O)c1ccc(OC(=O)c2cc3c(C)nn(-c4cccc(F)c4)c3s2)cc1 ZINC000065330896 222124071 /nfs/dbraw/zinc/12/40/71/222124071.db2.gz RLWFAZBVFNNHNJ-UHFFFAOYSA-N 0 0 394.427 4.956 50 0 GJAARN Cc1cccc(-n2ccnc2-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)c1 ZINC000065398644 222127557 /nfs/dbraw/zinc/12/75/57/222127557.db2.gz XETUZFKOQXHGGL-NRFANRHFSA-N 0 0 384.483 4.890 50 0 GJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000065491834 222132153 /nfs/dbraw/zinc/13/21/53/222132153.db2.gz SVXFYLQIFKGLAS-NXEZZACHSA-N 0 0 385.352 4.752 50 0 GJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000065544630 222132818 /nfs/dbraw/zinc/13/28/18/222132818.db2.gz XELGGFDNNUULMI-QGZVFWFLSA-N 0 0 396.384 4.900 50 0 GJAARN Cc1cccc(-c2c(-c3ccccc3)ncn2[C@H](C(=O)N(C)C)c2ccccc2)n1 ZINC000065508236 222133312 /nfs/dbraw/zinc/13/33/12/222133312.db2.gz SLGNTMODIBDERO-QHCPKHFHSA-N 0 0 396.494 4.598 50 0 GJAARN COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cn1 ZINC000067296455 222143171 /nfs/dbraw/zinc/14/31/71/222143171.db2.gz NZUZOPBRFHRBQJ-BZZOAKBMSA-N 0 0 385.423 4.630 50 0 GJAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067296464 222144135 /nfs/dbraw/zinc/14/41/35/222144135.db2.gz YZWXTRCMASDPIR-BZZOAKBMSA-N 0 0 385.423 4.630 50 0 GJAARN Cc1cc(F)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 ZINC000067298191 222144897 /nfs/dbraw/zinc/14/48/97/222144897.db2.gz KEJQTHZVYABXGP-NMWGTECJSA-N 0 0 395.415 4.527 50 0 GJAARN O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067678287 222154117 /nfs/dbraw/zinc/15/41/17/222154117.db2.gz ATIGJKUHYVMHFE-PTSWNOGYSA-N 0 0 395.886 4.646 50 0 GJAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2nc3ccccc3nc2C)C1 ZINC000067818597 222162078 /nfs/dbraw/zinc/16/20/78/222162078.db2.gz JQASEMDXUSCKIS-QGZVFWFLSA-N 0 0 391.540 4.755 50 0 GJAARN O=C([C@H]1CC12CCC2)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067867360 222163465 /nfs/dbraw/zinc/16/34/65/222163465.db2.gz YDFRVBIDEWZSRJ-GOSISDBHSA-N 0 0 383.875 4.624 50 0 GJAARN Cc1[nH]cnc1-c1c(-c2ccccc2)ncn1[C@@H](CO)Cc1ccc(Cl)cc1 ZINC000067895838 222166576 /nfs/dbraw/zinc/16/65/76/222166576.db2.gz MTTJIQWMCJNZDI-LJQANCHMSA-N 0 0 392.890 4.678 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCC2 ZINC000071280931 222178039 /nfs/dbraw/zinc/17/80/39/222178039.db2.gz NDEAFKKYHPLLBY-PXNSSMCTSA-N 0 0 391.515 4.679 50 0 GJAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000071280880 222178917 /nfs/dbraw/zinc/17/89/17/222178917.db2.gz VWIAOCAHANRGAH-LLVKDONJSA-N 0 0 389.814 4.933 50 0 GJAARN Cc1nc2cccc(C(=O)N3CCC[C@H](CCc4ccc(F)c(F)c4)C3)c2[nH]1 ZINC000071498358 222186109 /nfs/dbraw/zinc/18/61/09/222186109.db2.gz LHRJKLQWCQDTQV-MRXNPFEDSA-N 0 0 383.442 4.635 50 0 GJAARN CCc1cc(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)on1 ZINC000071764401 222195697 /nfs/dbraw/zinc/19/56/97/222195697.db2.gz YBRZDLNYVISQPS-AWEZNQCLSA-N 0 0 380.410 4.741 50 0 GJAARN O=C(Nc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000071789075 222197975 /nfs/dbraw/zinc/19/79/75/222197975.db2.gz DLNMGMWYIVZGKX-UHFFFAOYSA-N 0 0 385.872 4.566 50 0 GJAARN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 ZINC000071886855 222199561 /nfs/dbraw/zinc/19/95/61/222199561.db2.gz DXSLSCHZWQCKOO-RBUKOAKNSA-N 0 0 387.401 4.830 50 0 GJAARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC000071844279 222200308 /nfs/dbraw/zinc/20/03/08/222200308.db2.gz AWJLHNKMHBFDCF-SFTDATJTSA-N 0 0 389.499 4.854 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000072021156 222204066 /nfs/dbraw/zinc/20/40/66/222204066.db2.gz JLTVWPWQTHEELC-UHFFFAOYSA-N 0 0 381.501 4.947 50 0 GJAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(COc2cccc(Cl)c2)o1 ZINC000072255804 222219312 /nfs/dbraw/zinc/21/93/12/222219312.db2.gz GNHWMMLCZYAULC-UHFFFAOYSA-N 0 0 394.818 4.549 50 0 GJAARN CNc1nc(CNc2nc(COC)nc3scc(-c4ccccc4)c32)cs1 ZINC000072301714 222219511 /nfs/dbraw/zinc/21/95/11/222219511.db2.gz NOQRMWWKPIBRGS-UHFFFAOYSA-N 0 0 397.529 4.615 50 0 GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(CC)cc2)cc1 ZINC000072328982 222228595 /nfs/dbraw/zinc/22/85/95/222228595.db2.gz UEKAZKIDSIVQTM-UHFFFAOYSA-N 0 0 377.488 4.748 50 0 GJAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000072427651 222258721 /nfs/dbraw/zinc/25/87/21/222258721.db2.gz BWSQAETZNCSVCU-LBPRGKRZSA-N 0 0 390.361 4.860 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(Cl)c(C)cc2O)[nH]n1 ZINC000072427510 222259362 /nfs/dbraw/zinc/25/93/62/222259362.db2.gz NESSDKVKZAKDQY-UHFFFAOYSA-N 0 0 376.243 4.958 50 0 GJAARN COc1cc(C(=O)N(C)c2c(Cl)cccc2Cl)ccc1OC(F)F ZINC000089364946 222327069 /nfs/dbraw/zinc/32/70/69/222327069.db2.gz FDJZANAJTPFMMS-UHFFFAOYSA-N 0 0 376.186 4.880 50 0 GJAARN O=C(Nc1ccccc1OCc1ccccc1)N1CCCC2(CCOCC2)C1 ZINC000095517379 222343474 /nfs/dbraw/zinc/34/34/74/222343474.db2.gz KFGISOFZDXRKCG-UHFFFAOYSA-N 0 0 380.488 4.690 50 0 GJAARN O=C(c1ccc2[nH]ccc2c1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000077354736 222279871 /nfs/dbraw/zinc/27/98/71/222279871.db2.gz PGMUQEUDEIKNPF-UHFFFAOYSA-N 0 0 388.446 4.717 50 0 GJAARN COCc1cc(C)nc2sc(-c3nnc(-c4ccc(Cl)cc4)o3)c(N)c21 ZINC000078547560 222296637 /nfs/dbraw/zinc/29/66/37/222296637.db2.gz JBYYFDGZCGLKDU-UHFFFAOYSA-N 0 0 386.864 4.704 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)Nc1c(F)cc(Br)cc1F ZINC000078876658 222298803 /nfs/dbraw/zinc/29/88/03/222298803.db2.gz WCSWEXQNLZGLED-UHFFFAOYSA-N 0 0 378.575 4.701 50 0 GJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1cc(F)ccc1Cl ZINC000079484542 222304866 /nfs/dbraw/zinc/30/48/66/222304866.db2.gz WRYVOKXNVYFLIY-UHFFFAOYSA-N 0 0 383.766 4.868 50 0 GJAARN CSc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccn2)cc1 ZINC000079490649 222307580 /nfs/dbraw/zinc/30/75/80/222307580.db2.gz CEHAICNVZUZDHV-SFHVURJKSA-N 0 0 382.514 4.722 50 0 GJAARN CCN(Cc1cccc(OC)c1)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000082100215 222307892 /nfs/dbraw/zinc/30/78/92/222307892.db2.gz MUSVANGSCTXFKM-UHFFFAOYSA-N 0 0 385.467 4.672 50 0 GJAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2C2CCCCC2)cc1 ZINC000082087078 222308826 /nfs/dbraw/zinc/30/88/26/222308826.db2.gz JPJRZFGRYCYWST-GOSISDBHSA-N 0 0 380.488 4.533 50 0 GJAARN Oc1cccc([C@@H]2CN(c3nc4cc(C(F)(F)F)ccc4s3)CCO2)c1 ZINC000084374495 222317205 /nfs/dbraw/zinc/31/72/05/222317205.db2.gz VRRGZCHGLSSEBY-HNNXBMFYSA-N 0 0 380.391 4.599 50 0 GJAARN O=C(CNc1cc(Cl)ccc1-n1cccn1)Nc1cccc2ccccc21 ZINC000084598551 222317435 /nfs/dbraw/zinc/31/74/35/222317435.db2.gz UINZSXALZLGSJB-UHFFFAOYSA-N 0 0 376.847 4.730 50 0 GJAARN Cn1ccnc1-c1sc(NC(=O)c2ccncc2Cl)nc1-c1ccccc1 ZINC000095962828 222365815 /nfs/dbraw/zinc/36/58/15/222365815.db2.gz QYUUTCUWTXFFFY-UHFFFAOYSA-N 0 0 395.875 4.511 50 0 GJAARN O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1CN1CCc2ccccc21 ZINC000095959814 222365948 /nfs/dbraw/zinc/36/59/48/222365948.db2.gz RKIFDSVDSHPTLF-VWLOTQADSA-N 0 0 398.506 4.892 50 0 GJAARN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096096043 222378126 /nfs/dbraw/zinc/37/81/26/222378126.db2.gz QGZLGJKUMYNYLR-WJHMSVSLSA-N 0 0 391.471 4.662 50 0 GJAARN O=C(CCc1c(F)cccc1Cl)NCc1cccc(Oc2ccccn2)c1 ZINC000096104540 222381570 /nfs/dbraw/zinc/38/15/70/222381570.db2.gz KAGKLFRYCFIRTH-UHFFFAOYSA-N 0 0 384.838 4.915 50 0 GJAARN O=C(Nc1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119102 222384763 /nfs/dbraw/zinc/38/47/63/222384763.db2.gz IEVSKDKBVVLTSE-LBPRGKRZSA-N 0 0 388.880 4.863 50 0 GJAARN CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000096137610 222386292 /nfs/dbraw/zinc/38/62/92/222386292.db2.gz UZVQGIXEGXFOET-GOSISDBHSA-N 0 0 379.460 4.918 50 0 GJAARN O=C(Nc1cccc(N2CCCC2=O)c1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000096151641 222391306 /nfs/dbraw/zinc/39/13/06/222391306.db2.gz DJZWYFDQLRPDBZ-HXUWFJFHSA-N 0 0 381.451 4.712 50 0 GJAARN CCCOc1c(Cl)cccc1NC(=O)N1CCC(c2ncncc2C)CC1 ZINC000096167137 222394442 /nfs/dbraw/zinc/39/44/42/222394442.db2.gz GNCYFQUEMRPUGU-UHFFFAOYSA-N 0 0 388.899 4.639 50 0 GJAARN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc(F)cc3)nn21 ZINC000096194338 222397010 /nfs/dbraw/zinc/39/70/10/222397010.db2.gz PAGGMZOUMNGMAE-UHFFFAOYSA-N 0 0 380.404 4.626 50 0 GJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)CCc1ccccc1 ZINC000096277420 222407391 /nfs/dbraw/zinc/40/73/91/222407391.db2.gz LGSKBLNQJIFELI-LJQANCHMSA-N 0 0 391.515 4.847 50 0 GJAARN Cc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCC3)c2)cc1F ZINC000096386555 222417863 /nfs/dbraw/zinc/41/78/63/222417863.db2.gz ITLGIIGNMJPCRE-UHFFFAOYSA-N 0 0 391.450 4.835 50 0 GJAARN Cc1cc(S[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c(Cl)cc1Cl ZINC000100394263 222459003 /nfs/dbraw/zinc/45/90/03/222459003.db2.gz LKVIJJANXPXDRL-OAHLLOKOSA-N 0 0 384.259 4.865 50 0 GJAARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000102668626 222482925 /nfs/dbraw/zinc/48/29/25/222482925.db2.gz VFNQOAPGBCNWCB-FOIQADDNSA-N 0 0 376.847 4.997 50 0 GJAARN Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)CCCc3ccccc3)n2)cc1 ZINC000169754593 222540012 /nfs/dbraw/zinc/54/00/12/222540012.db2.gz JHCXPJKDJKCKIE-FQEVSTJZSA-N 0 0 375.472 4.731 50 0 GJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C)c(C)c4)c(=O)n23)cc1 ZINC000020768051 534199739 /nfs/dbraw/zinc/19/97/39/534199739.db2.gz QJLZUIAHPXSPIB-UHFFFAOYSA-N 0 0 389.480 4.601 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000003235061 518193549 /nfs/dbraw/zinc/19/35/49/518193549.db2.gz HCDSLWIUCIDAAP-UHFFFAOYSA-N 0 0 395.415 4.516 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C)n2)C12CCCC2 ZINC000079495411 522109060 /nfs/dbraw/zinc/10/90/60/522109060.db2.gz CIVXLHSFBZBSFR-DYESRHJHSA-N 0 0 391.515 4.679 50 0 GJAARN O=C(c1ccc(-c2ccsc2)cc1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000426504000 534682372 /nfs/dbraw/zinc/68/23/72/534682372.db2.gz NIZCWWQKUXUJRW-NRFANRHFSA-N 0 0 378.497 4.632 50 0 GJAARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@]1(CCOC1)O2 ZINC000253388645 524623835 /nfs/dbraw/zinc/62/38/35/524623835.db2.gz QETHKRDIJLVIMV-YUSFRPNYSA-N 0 0 378.553 4.699 50 0 biogenic GJAARN COc1ccccc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C ZINC000025181844 524632260 /nfs/dbraw/zinc/63/22/60/524632260.db2.gz KAEPMPSWAUKLEC-UHFFFAOYSA-N 0 0 379.441 4.829 50 0 GJAARN COc1ccc(Nc2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)cc1 ZINC000005426759 524712543 /nfs/dbraw/zinc/71/25/43/524712543.db2.gz FJVKMBCSAXNDEN-UHFFFAOYSA-N 0 0 399.454 4.593 50 0 GJAARN O=C(NCC(F)F)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000036618523 534805052 /nfs/dbraw/zinc/80/50/52/534805052.db2.gz YSUCHEZAJCTPGD-UHFFFAOYSA-N 0 0 397.356 4.691 50 0 GJAARN COc1ccc([C@@H]2CCCN2[C@@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 ZINC000012809978 525248762 /nfs/dbraw/zinc/24/87/62/525248762.db2.gz QCMISQKIJVQSIF-BBRMVZONSA-N 0 0 385.489 4.713 50 0 GJAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cn(C)nc4C)[C@@H](O)[C@@]3(C)CC[C@H]21 ZINC000245239775 525533444 /nfs/dbraw/zinc/53/34/44/525533444.db2.gz MEPYNTVXLJQGPP-ALDXDYIQSA-N 0 0 392.543 4.648 50 0 GJAARN O=C(c1cccc(C(=O)N2CCCc3ccccc32)c1)N1CCCc2ccccc21 ZINC000000830014 526752763 /nfs/dbraw/zinc/75/27/63/526752763.db2.gz RZXCAHVZPVUBDD-UHFFFAOYSA-N 0 0 396.490 4.873 50 0 GJAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccccc1 ZINC000006995439 526916626 /nfs/dbraw/zinc/91/66/26/526916626.db2.gz SWLORKGWKXKSQZ-UHFFFAOYSA-N 0 0 388.448 4.759 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl ZINC000239433478 527331426 /nfs/dbraw/zinc/33/14/26/527331426.db2.gz XTGLIVITYKYLTH-OYQDBORRSA-N 0 0 392.248 5.500 50 0 GJAARN CCCCSCc1cc(C(=O)N2CCC(c3ncncc3C)CC2)oc1C ZINC000426383126 528736614 /nfs/dbraw/zinc/73/66/14/528736614.db2.gz KTIRXLMXJXGQCD-UHFFFAOYSA-N 0 0 387.549 4.740 50 0 GJAARN CN(C(=O)/C=C(\c1ccccc1)C(F)(F)F)[C@H]1CCCN(c2ccccc2)C1 ZINC000098010214 535931427 /nfs/dbraw/zinc/93/14/27/535931427.db2.gz QXNVVVVHDHYSGS-AZGFIHASSA-N 0 0 388.433 4.760 50 0 GJAARN COC1CCN(c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)cc2)CC1 ZINC000096382142 536758009 /nfs/dbraw/zinc/75/80/09/536758009.db2.gz KXCYHJGUTGVDAN-UHFFFAOYSA-N 0 0 393.462 4.688 50 0 GJAARN CCC(=O)Nc1ccc(Cl)c(NCc2nc(-c3ccc(C)c(F)c3)no2)c1 ZINC000111188972 570214053 /nfs/dbraw/zinc/21/40/53/570214053.db2.gz OILVTIJXXUGXOD-UHFFFAOYSA-N 0 0 388.830 4.798 50 0 GJAARN Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000047810794 570215722 /nfs/dbraw/zinc/21/57/22/570215722.db2.gz URJJBNCNHPYTJK-UXLLHSPISA-N 0 0 387.549 4.895 50 0 GJAARN c1coc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)c1 ZINC000000683322 570217468 /nfs/dbraw/zinc/21/74/68/570217468.db2.gz HFHPROZOMGSVJC-LJQANCHMSA-N 0 0 388.452 4.927 50 0 GJAARN Cc1ccccc1C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000000683231 570217503 /nfs/dbraw/zinc/21/75/03/570217503.db2.gz WGMCOHYYWNSAJP-UHFFFAOYSA-N 0 0 392.886 4.873 50 0 GJAARN O=C(Cn1c2ccccc2n2nc(-c3ccccc3)nc12)c1ccc(Cl)cc1 ZINC000000729061 570221461 /nfs/dbraw/zinc/22/14/61/570221461.db2.gz KJOIGXZDLDGMBS-UHFFFAOYSA-N 0 0 386.842 4.887 50 0 GJAARN COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 ZINC000012810758 570225252 /nfs/dbraw/zinc/22/52/52/570225252.db2.gz HUGRYXWNYAPZCX-HXUWFJFHSA-N 0 0 394.544 4.730 50 0 GJAARN CC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1-n1cccc1)CN(C)CC3 ZINC000019889387 570227824 /nfs/dbraw/zinc/22/78/24/570227824.db2.gz OZTPLDZLZUXNEV-UHFFFAOYSA-N 0 0 387.508 4.945 50 0 GJAARN CCOC(=O)[C@@H](Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1)c1ccccc1 ZINC000001463668 570229933 /nfs/dbraw/zinc/22/99/33/570229933.db2.gz GWERSLRYECUVEB-NRFANRHFSA-N 0 0 396.439 4.990 50 0 GJAARN CC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000006054848 570230154 /nfs/dbraw/zinc/23/01/54/570230154.db2.gz LYWQVDKZVOMLNQ-UHFFFAOYSA-N 0 0 382.876 4.750 50 0 GJAARN O=C(CCc1cccs1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000048285574 570231282 /nfs/dbraw/zinc/23/12/82/570231282.db2.gz PTIIOIQOLLIHNM-UHFFFAOYSA-N 0 0 381.453 4.627 50 0 GJAARN O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H](c1cccs1)C1CCCC1 ZINC000048300411 570234153 /nfs/dbraw/zinc/23/41/53/570234153.db2.gz MDXBAEXSEUVYBI-GOSISDBHSA-N 0 0 385.489 4.758 50 0 GJAARN COc1cc(C)ccc1NC(=O)c1nn(-c2ccc(C)c(F)c2)c2c1CCCC2 ZINC000048301366 570234528 /nfs/dbraw/zinc/23/45/28/570234528.db2.gz JRWGZWJOOCIKNG-UHFFFAOYSA-N 0 0 393.462 4.768 50 0 GJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000023309020 570235494 /nfs/dbraw/zinc/23/54/94/570235494.db2.gz JESASIZDUDLKNV-DEOSSOPVSA-N 0 0 388.486 4.682 50 0 GJAARN CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816683 570235626 /nfs/dbraw/zinc/23/56/26/570235626.db2.gz NQIXQQBPOCKYCC-ROUUACIJSA-N 0 0 387.270 4.672 50 0 GJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(OCc2cccnc2)cc1 ZINC000048356455 570242837 /nfs/dbraw/zinc/24/28/37/570242837.db2.gz HMLWBQAXIDWCEB-UHFFFAOYSA-N 0 0 386.373 4.609 50 0 GJAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCC(c2ccc(O)cc2)CC1 ZINC000048361587 570243104 /nfs/dbraw/zinc/24/31/04/570243104.db2.gz JPYDIUFKVMZJJB-UHFFFAOYSA-N 0 0 384.526 4.526 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000006112490 570248002 /nfs/dbraw/zinc/24/80/02/570248002.db2.gz GRZDMURYFDVPNQ-UHFFFAOYSA-N 0 0 383.542 4.782 50 0 GJAARN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000001146576 570248911 /nfs/dbraw/zinc/24/89/11/570248911.db2.gz WEJVVYWGPONBOF-ZDUSSCGKSA-N 0 0 376.909 4.598 50 0 GJAARN Cc1ccc(N2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000001153938 570249580 /nfs/dbraw/zinc/24/95/80/570249580.db2.gz ALXSNVZXNAHKPF-UHFFFAOYSA-N 0 0 386.524 4.993 50 0 GJAARN Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(NCc3cccc(F)c3)c12 ZINC000020256723 570250215 /nfs/dbraw/zinc/25/02/15/570250215.db2.gz RTJKNYXNVJMZGQ-CYBMUJFWSA-N 0 0 398.507 4.623 50 0 GJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000001158641 570251045 /nfs/dbraw/zinc/25/10/45/570251045.db2.gz JJIVWKDPSSUNKR-UHFFFAOYSA-N 0 0 397.525 4.562 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001161192 570251689 /nfs/dbraw/zinc/25/16/89/570251689.db2.gz RTRJPTPOHFFQOL-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1 ZINC000001505467 570252175 /nfs/dbraw/zinc/25/21/75/570252175.db2.gz JFRIAZISIGOZSV-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)C(C)(C)C)ccc23)cc1 ZINC000001164943 570252394 /nfs/dbraw/zinc/25/23/94/570252394.db2.gz IGBWGMJDYXINMZ-UHFFFAOYSA-N 0 0 380.440 4.771 50 0 GJAARN CC[C@@H](C)c1ccc(NC(=S)N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000020385870 570253975 /nfs/dbraw/zinc/25/39/75/570253975.db2.gz SNMTVSOFDHGHER-QGZVFWFLSA-N 0 0 385.552 4.854 50 0 GJAARN CCN(CC)c1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1 ZINC000001175362 570254076 /nfs/dbraw/zinc/25/40/76/570254076.db2.gz ANPJJGFOZPXJNJ-UHFFFAOYSA-N 0 0 381.501 4.714 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000032943019 570254344 /nfs/dbraw/zinc/25/43/44/570254344.db2.gz WZUUIHVMAAXYNH-UHFFFAOYSA-N 0 0 387.892 4.879 50 0 GJAARN COc1cc(OC)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl ZINC000001179219 570254709 /nfs/dbraw/zinc/25/47/09/570254709.db2.gz NNIZYQFUOXCWAB-UHFFFAOYSA-N 0 0 390.650 4.682 50 0 GJAARN Cc1ccc2nc(C(=O)N3CCSCC3)cc(Nc3ccc(F)c(F)c3)c2c1 ZINC000048987691 570256495 /nfs/dbraw/zinc/25/64/95/570256495.db2.gz CWNXRAMZAAPBNB-UHFFFAOYSA-N 0 0 399.466 4.754 50 0 GJAARN Cc1ccc(C)c(NC(=O)COc2cc(C)nc(-c3ccc(Cl)cc3)n2)c1 ZINC000049006964 570258357 /nfs/dbraw/zinc/25/83/57/570258357.db2.gz IZDYBFIIRZSVCB-UHFFFAOYSA-N 0 0 381.863 4.740 50 0 GJAARN Cc1cc(=O)[nH]c2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc12 ZINC000049031089 570260895 /nfs/dbraw/zinc/26/08/95/570260895.db2.gz GZBYEVWULCTAGD-UHFFFAOYSA-N 0 0 382.419 4.713 50 0 GJAARN CC(C)N(C(=O)COC(=O)c1ccco1)c1ccc(Nc2ccccc2)cc1 ZINC000010532286 570261677 /nfs/dbraw/zinc/26/16/77/570261677.db2.gz ZEPKVZLCDXWJOH-UHFFFAOYSA-N 0 0 378.428 4.622 50 0 GJAARN C[C@@H](CO)Oc1ccc(-c2ccc(-c3ccc(O[C@@H](C)CO)cc3)c(F)c2)cc1 ZINC000001405410 570262172 /nfs/dbraw/zinc/26/21/72/570262172.db2.gz MJYBOLOAOGAXNB-IRXDYDNUSA-N 0 0 396.458 4.679 50 0 GJAARN S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000001406116 570262181 /nfs/dbraw/zinc/26/21/81/570262181.db2.gz QUGNZHDLYWNOHJ-UHFFFAOYSA-N 0 0 389.524 4.998 50 0 GJAARN CCc1nnc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)s1 ZINC000006125623 570263632 /nfs/dbraw/zinc/26/36/32/570263632.db2.gz YRHZETNYMDIXGE-UHFFFAOYSA-N 0 0 383.260 4.623 50 0 GJAARN C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1Cl ZINC000012850265 570265838 /nfs/dbraw/zinc/26/58/38/570265838.db2.gz IWRYUSJYMGEHIM-OCCSQVGLSA-N 0 0 391.298 4.762 50 0 GJAARN Cn1c(-c2ccccc2F)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S ZINC000012852052 570266251 /nfs/dbraw/zinc/26/62/51/570266251.db2.gz UMBYBOBABKRNSW-UHFFFAOYSA-N 0 0 386.471 4.518 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)n1 ZINC000012852224 570266589 /nfs/dbraw/zinc/26/65/89/570266589.db2.gz UFAKVACTJAFKJD-UHFFFAOYSA-N 0 0 389.333 4.506 50 0 GJAARN C[C@H](OCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000012860990 570267824 /nfs/dbraw/zinc/26/78/24/570267824.db2.gz CJFAOAVKMJZMKE-KRWDZBQOSA-N 0 0 396.462 4.697 50 0 GJAARN C[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000006128207 570268206 /nfs/dbraw/zinc/26/82/06/570268206.db2.gz HLJYOBVBFNEWPL-SIGOSDGXSA-N 0 0 388.511 4.521 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1CC(=O)Nc2c1cnn2C(C)(C)C ZINC000049545460 570269083 /nfs/dbraw/zinc/26/90/83/570269083.db2.gz SQYHSXDARMADCA-KRWDZBQOSA-N 0 0 377.492 4.623 50 0 GJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)C1(c2ccc(F)cc2)CC1 ZINC000049508281 570270489 /nfs/dbraw/zinc/27/04/89/570270489.db2.gz OIQIRQXDXBIWBT-UHFFFAOYSA-N 0 0 388.398 4.854 50 0 GJAARN O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000049509752 570270556 /nfs/dbraw/zinc/27/05/56/570270556.db2.gz AKVLMJICKPNHQU-CSKARUKUSA-N 0 0 392.842 4.788 50 0 GJAARN CCOc1ccccc1-n1c2nc(C3CC3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603238 570270614 /nfs/dbraw/zinc/27/06/14/570270614.db2.gz SHDLZDFWWBHKAM-UHFFFAOYSA-N 0 0 389.427 4.657 50 0 GJAARN Cc1sc2ccccc2c1-c1c[nH]c([C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 ZINC000020613888 570272187 /nfs/dbraw/zinc/27/21/87/570272187.db2.gz OPPXRFHFJXFTPF-OAHLLOKOSA-N 0 0 388.496 4.511 50 0 GJAARN Cc1cccc(-c2nnc(C3(c4ccc(Br)cc4)CCOCC3)o2)c1 ZINC000071889906 570273673 /nfs/dbraw/zinc/27/36/73/570273673.db2.gz YCZXONLVMHVLKS-UHFFFAOYSA-N 0 0 399.288 4.904 50 0 GJAARN COC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002096173 570274599 /nfs/dbraw/zinc/27/45/99/570274599.db2.gz CFQDGUBGISEANG-UHFFFAOYSA-N 0 0 382.243 4.578 50 0 GJAARN CCOc1ccc(-c2nc(NC(=O)c3cccc(OC)c3OC)sc2C)cc1 ZINC000005169452 570275917 /nfs/dbraw/zinc/27/59/17/570275917.db2.gz IILYULBHRXDETD-UHFFFAOYSA-N 0 0 398.484 4.787 50 0 GJAARN CCN(CC)c1nc2ccc(Cl)cc2n2c(/C=C\c3ccccc3)nnc12 ZINC000035225637 570276237 /nfs/dbraw/zinc/27/62/37/570276237.db2.gz JCQDBEVYOMMOBR-RAXLEYEMSA-N 0 0 377.879 4.948 50 0 GJAARN COc1ccccc1-c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn21 ZINC000002180679 570277464 /nfs/dbraw/zinc/27/74/64/570277464.db2.gz XSZKTLSOWGKXOZ-UHFFFAOYSA-N 0 0 377.256 4.835 50 0 GJAARN CCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000002187908 570278077 /nfs/dbraw/zinc/27/80/77/570278077.db2.gz GCYOEQVFAZJWRG-HHNLSAEISA-N 0 0 376.485 4.885 50 0 GJAARN CCOc1cc(C[C@@H]2C(=O)Nc3ccccc32)cc(Br)c1OCC ZINC000101016484 570280532 /nfs/dbraw/zinc/28/05/32/570280532.db2.gz GWYTVLNZQOTQTE-AWEZNQCLSA-N 0 0 390.277 4.525 50 0 GJAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)Nc1ccc(F)c(F)c1 ZINC000002264626 570280716 /nfs/dbraw/zinc/28/07/16/570280716.db2.gz CCAQVPVKWYSEQF-UHFFFAOYSA-N 0 0 391.468 4.579 50 0 GJAARN CCOc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 ZINC000002283283 570280929 /nfs/dbraw/zinc/28/09/29/570280929.db2.gz XHJIFQMYMVJGDU-UHFFFAOYSA-N 0 0 378.211 4.751 50 0 GJAARN c1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)CC(c1ccccc1)=N2 ZINC000101166780 570281515 /nfs/dbraw/zinc/28/15/15/570281515.db2.gz SVHGNNLVLIPHFL-QHCPKHFHSA-N 0 0 380.451 4.913 50 0 GJAARN COc1ccc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn32)cc1OC ZINC000002323319 570282530 /nfs/dbraw/zinc/28/25/30/570282530.db2.gz 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ZINC000034733946 570326114 /nfs/dbraw/zinc/32/61/14/570326114.db2.gz OQRILUSVLHLRLD-UHFFFAOYSA-N 0 0 397.906 4.911 50 0 GJAARN COc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2cc(C)ccc2C)s1 ZINC000032947472 570326390 /nfs/dbraw/zinc/32/63/90/570326390.db2.gz SEYJYXIEOSVKIO-UHFFFAOYSA-N 0 0 387.892 4.979 50 0 GJAARN COc1ccc(Br)c(C(=O)NCc2ccc(-c3cccs3)o2)c1 ZINC000575609013 570332094 /nfs/dbraw/zinc/33/20/94/570332094.db2.gz MZNIWZCZGNRIOA-UHFFFAOYSA-N 0 0 392.274 4.709 50 0 GJAARN Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)n2nc(C(C)(C)C)cc2n1 ZINC000034833139 570335504 /nfs/dbraw/zinc/33/55/04/570335504.db2.gz OTLACJWNKVZJEX-UHFFFAOYSA-N 0 0 398.510 4.855 50 0 GJAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000034796700 570338157 /nfs/dbraw/zinc/33/81/57/570338157.db2.gz WQYIUDDIEZUCMW-UHFFFAOYSA-N 0 0 396.422 4.754 50 0 GJAARN Cc1noc([C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)n1 ZINC000022967911 570339243 /nfs/dbraw/zinc/33/92/43/570339243.db2.gz CIYHBAMUCDCUSV-LLVKDONJSA-N 0 0 399.426 4.757 50 0 GJAARN CC[C@H]1c2ccsc2CCN1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000043362839 570340192 /nfs/dbraw/zinc/34/01/92/570340192.db2.gz SANZPMIGOZZCMH-HNNXBMFYSA-N 0 0 384.530 4.732 50 0 GJAARN CC(=O)c1ccc(OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 ZINC000006221218 570343710 /nfs/dbraw/zinc/34/37/10/570343710.db2.gz BLVFMEFBLJCQKZ-UHFFFAOYSA-N 0 0 394.496 4.955 50 0 GJAARN CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 ZINC000023118970 570344973 /nfs/dbraw/zinc/34/49/73/570344973.db2.gz IWVKARUMMMWCOR-UHFFFAOYSA-N 0 0 388.496 4.690 50 0 GJAARN Cc1ccc2nc(-c3ccccc3C)c(NC(=O)COCc3ccccc3)n2c1 ZINC000034913365 570347315 /nfs/dbraw/zinc/34/73/15/570347315.db2.gz PSFLGCOKSZQODF-UHFFFAOYSA-N 0 0 385.467 4.773 50 0 GJAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000023174933 570347696 /nfs/dbraw/zinc/34/76/96/570347696.db2.gz LHTUEEWUCYCKCM-ZDUSSCGKSA-N 0 0 399.541 4.581 50 0 GJAARN CC(C)(C)c1ccc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000010893799 570350447 /nfs/dbraw/zinc/35/04/47/570350447.db2.gz XAZXNAVAUSKQLE-UHFFFAOYSA-N 0 0 380.513 4.803 50 0 GJAARN Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccccc1 ZINC000035400659 570350825 /nfs/dbraw/zinc/35/08/25/570350825.db2.gz BSTVHZHOUCRSTD-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN Cc1nn(CCNC(=O)CCc2cccc(Cl)c2)c(C)c1-c1ccsc1 ZINC000575614784 570352764 /nfs/dbraw/zinc/35/27/64/570352764.db2.gz HNRHNOGBKGYHBO-UHFFFAOYSA-N 0 0 387.936 4.631 50 0 GJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)c1 ZINC000006261053 570353111 /nfs/dbraw/zinc/35/31/11/570353111.db2.gz OUBGLLMEAUPTRC-UHFFFAOYSA-N 0 0 398.484 4.867 50 0 GJAARN COc1ccc(C)cc1-n1c(S[C@@H]2CCCCC2=O)nnc1-c1cccs1 ZINC000006266786 570354479 /nfs/dbraw/zinc/35/44/79/570354479.db2.gz OXBRXSXEHNBRGC-QGZVFWFLSA-N 0 0 399.541 4.917 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)CCCC2 ZINC000008061340 570355093 /nfs/dbraw/zinc/35/50/93/570355093.db2.gz IQQMFDPTVDXBIU-UHFFFAOYSA-N 0 0 386.499 4.803 50 0 GJAARN O=C(c1ccccc1)c1ccc2nc(Nc3ccc(Cl)cc3)c3nncn3c2c1 ZINC000004885799 570355229 /nfs/dbraw/zinc/35/52/29/570355229.db2.gz ICLXDKHKCGZBKU-UHFFFAOYSA-N 0 0 399.841 4.906 50 0 GJAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1Cl ZINC000004882527 570355612 /nfs/dbraw/zinc/35/56/12/570355612.db2.gz ICJCIGAYNPCEHB-UHFFFAOYSA-N 0 0 396.899 4.532 50 0 GJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000006271522 570356654 /nfs/dbraw/zinc/35/66/54/570356654.db2.gz OHYPBSLVUMBPNL-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN O=C(Nc1ccc(F)cc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035446704 570360405 /nfs/dbraw/zinc/36/04/05/570360405.db2.gz TZYARGLMEUXARE-UHFFFAOYSA-N 0 0 376.435 4.565 50 0 biogenic GJAARN O=C(COc1ccc(Cl)cc1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115181 570360432 /nfs/dbraw/zinc/36/04/32/570360432.db2.gz AALRITCPWBHBCJ-OAQYLSRUSA-N 0 0 383.900 4.955 50 0 GJAARN O=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccccc1)c1ccco1 ZINC000004164607 570360484 /nfs/dbraw/zinc/36/04/84/570360484.db2.gz WQHMIKKVTSDWIN-UHFFFAOYSA-N 0 0 389.238 4.769 50 0 GJAARN Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn32)cc1 ZINC000004903768 570361054 /nfs/dbraw/zinc/36/10/54/570361054.db2.gz BGBXIWNKKYIEMG-UHFFFAOYSA-N 0 0 395.260 4.916 50 0 GJAARN CCOc1ccc(CCNC(=O)Nc2ccccc2C(F)(F)F)cc1OCC ZINC000004908813 570361678 /nfs/dbraw/zinc/36/16/78/570361678.db2.gz NQXOXVXQNJVBSX-UHFFFAOYSA-N 0 0 396.409 4.867 50 0 GJAARN CC1CCN(Cn2nc(COc3ccccc3)n(-c3ccccc3)c2=S)CC1 ZINC000004181609 570361638 /nfs/dbraw/zinc/36/16/38/570361638.db2.gz KFCGJEJQHLRZNF-UHFFFAOYSA-N 0 0 394.544 4.672 50 0 GJAARN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000004184333 570362081 /nfs/dbraw/zinc/36/20/81/570362081.db2.gz MMXRHJUCFVVLTB-UHFFFAOYSA-N 0 0 397.569 4.840 50 0 GJAARN CCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O ZINC000008195368 570362193 /nfs/dbraw/zinc/36/21/93/570362193.db2.gz GHSJXYTWDOIBAM-UHFFFAOYSA-N 0 0 395.528 4.661 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C)c1 ZINC000004191047 570362357 /nfs/dbraw/zinc/36/23/57/570362357.db2.gz GWBJCYLOJFFRKL-UHFFFAOYSA-N 0 0 376.485 4.539 50 0 GJAARN COc1cc2sc(NC(=O)[C@@H](CCSC)n3cccc3)nc2cc1Cl ZINC000604419410 570363126 /nfs/dbraw/zinc/36/31/26/570363126.db2.gz MKXDEZOBSUWABM-CYBMUJFWSA-N 0 0 395.937 4.693 50 0 GJAARN COc1ccc([C@@H](NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1OC ZINC000604419221 570363129 /nfs/dbraw/zinc/36/31/29/570363129.db2.gz PPUHFGFSQAYXTM-NRFANRHFSA-N 0 0 381.476 4.714 50 0 GJAARN O=C1c2ccccc2[C@@H](Nc2ccccc2Br)N1c1ccccn1 ZINC000004916121 570364958 /nfs/dbraw/zinc/36/49/58/570364958.db2.gz ALVBNDBFMYWYAM-SFHVURJKSA-N 0 0 380.245 4.615 50 0 GJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000004281954 570365451 /nfs/dbraw/zinc/36/54/51/570365451.db2.gz KHISSCDJJUDGQH-XUZZJYLKSA-N 0 0 386.451 4.946 50 0 GJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NC1CC1)c1ccc(Cl)cc1 ZINC000035475981 570365497 /nfs/dbraw/zinc/36/54/97/570365497.db2.gz GRPTVDXXIPPWEF-UHFFFAOYSA-N 0 0 392.839 4.541 50 0 GJAARN Fc1ccc(C2=Nn3c(nnc3-c3cc(Cl)cc(Cl)c3)SC2)cc1F ZINC000004336114 570369189 /nfs/dbraw/zinc/36/91/89/570369189.db2.gz LRLJSRVOFMVPQO-UHFFFAOYSA-N 0 0 397.237 4.888 50 0 GJAARN CCCCc1ccc(S(=O)(=O)N2CCC(c3ccccc3OC)CC2)cc1 ZINC000004336229 570369298 /nfs/dbraw/zinc/36/92/98/570369298.db2.gz ORXHIYAJGXKKMP-UHFFFAOYSA-N 0 0 387.545 4.606 50 0 GJAARN O=c1c(Cl)c(Nc2cccc(Cl)c2)cnn1-c1nc2ccccc2s1 ZINC000004928732 570371089 /nfs/dbraw/zinc/37/10/89/570371089.db2.gz ZPAQVLXAJFIGMV-UHFFFAOYSA-N 0 0 389.267 4.893 50 0 aggregator GJAARN O=c1[nH]c(SCc2ccc(F)cc2)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000004928185 570371205 /nfs/dbraw/zinc/37/12/05/570371205.db2.gz ZZLIQHQDXLWDPX-UHFFFAOYSA-N 0 0 386.839 4.606 50 0 GJAARN CC(C)c1nnc(SCC(=O)c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000010929055 570372494 /nfs/dbraw/zinc/37/24/94/570372494.db2.gz DFMLAMFXKSXWIG-UHFFFAOYSA-N 0 0 375.881 4.671 50 0 GJAARN Cc1ccccc1Cc1c(C)nc(SCc2cc(F)cc(F)c2)n(C)c1=O ZINC000004931858 570372993 /nfs/dbraw/zinc/37/29/93/570372993.db2.gz IKGQCONWVJZANU-UHFFFAOYSA-N 0 0 386.467 4.558 50 0 GJAARN O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)s1)c1ccccc1 ZINC000004394802 570373365 /nfs/dbraw/zinc/37/33/65/570373365.db2.gz KVUCAJJYZRFGOJ-UHFFFAOYSA-N 0 0 381.404 4.594 50 0 GJAARN CCCCNC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)nn2c1C ZINC000004935475 570373999 /nfs/dbraw/zinc/37/39/99/570373999.db2.gz NHVRVGDRZARNSQ-UHFFFAOYSA-N 0 0 384.911 4.515 50 0 GJAARN C[C@@H]1CCc2nc(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000004472897 570376489 /nfs/dbraw/zinc/37/64/89/570376489.db2.gz QKSUBEFBVUGRKO-SNVBAGLBSA-N 0 0 375.544 4.608 50 0 GJAARN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000024092441 570378483 /nfs/dbraw/zinc/37/84/83/570378483.db2.gz YTOTWLLOUCUXDI-UHFFFAOYSA-N 0 0 381.435 4.570 50 0 GJAARN Fc1cccc(-c2noc(-c3cc(-c4cccc(Br)c4)[nH]n3)n2)c1 ZINC000035504164 570378622 /nfs/dbraw/zinc/37/86/22/570378622.db2.gz YSHSALWJIQWAOH-UHFFFAOYSA-N 0 0 385.196 4.695 50 0 GJAARN Cc1ccc(C)c(Cn2c(CNC(=O)c3cccs3)nc3ccccc32)c1 ZINC000004943184 570378701 /nfs/dbraw/zinc/37/87/01/570378701.db2.gz FARJRVSTZRTYSL-UHFFFAOYSA-N 0 0 375.497 4.693 50 0 GJAARN COc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)cc1 ZINC000035506694 570379164 /nfs/dbraw/zinc/37/91/64/570379164.db2.gz JEUSPTCROOCANA-UHFFFAOYSA-N 0 0 385.876 4.607 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(c2nc(-c3ccsc3)no2)C1 ZINC000090567309 570380237 /nfs/dbraw/zinc/38/02/37/570380237.db2.gz FUDBMLAKZULROL-UHFFFAOYSA-N 0 0 395.271 4.736 50 0 GJAARN Cc1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccccn2)c2ccccc2n1C ZINC000004952741 570381199 /nfs/dbraw/zinc/38/11/99/570381199.db2.gz YBWGSGVODZIXRG-CCEZHUSRSA-N 0 0 392.462 4.751 50 0 GJAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cc1 ZINC000004958518 570381353 /nfs/dbraw/zinc/38/13/53/570381353.db2.gz JTEBDASFXLGSNZ-UHFFFAOYSA-N 0 0 380.875 4.706 50 0 GJAARN COc1ccc(OC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000035509879 570382525 /nfs/dbraw/zinc/38/25/25/570382525.db2.gz LLOSYOUGIAFUJD-UHFFFAOYSA-N 0 0 382.416 4.762 50 0 GJAARN O=C(Nc1cccc(Cl)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607587 570383011 /nfs/dbraw/zinc/38/30/11/570383011.db2.gz WMOUXEIZGNVMAQ-UHFFFAOYSA-N 0 0 399.800 4.829 50 0 GJAARN Cc1csc(SCC2CCN(C(=O)CSCc3ccccc3)CC2)n1 ZINC000090608100 570384010 /nfs/dbraw/zinc/38/40/10/570384010.db2.gz GZDTXQOVMQYYNX-UHFFFAOYSA-N 0 0 392.615 4.716 50 0 GJAARN CC(C)N1c2ccccc2[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000004554688 570384123 /nfs/dbraw/zinc/38/41/23/570384123.db2.gz WJBHVZAQEQZEOM-VWLOTQADSA-N 0 0 385.463 4.569 50 0 GJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C)c(C)c4)c3)nn12 ZINC000004556478 570384679 /nfs/dbraw/zinc/38/46/79/570384679.db2.gz DYFNMISQCLGDIA-UHFFFAOYSA-N 0 0 391.500 4.593 50 0 GJAARN O=C1CS[C@H](c2ccccc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004568419 570385078 /nfs/dbraw/zinc/38/50/78/570385078.db2.gz PEMBPQVFLYWUOU-YXSDIZSPSA-N 0 0 397.569 4.785 50 0 aggregator GJAARN COc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000004578229 570385731 /nfs/dbraw/zinc/38/57/31/570385731.db2.gz OPJZRSZNWRLAGJ-JCMHNJIXSA-N 0 0 385.419 4.619 50 0 GJAARN CCc1cccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2ccco2)c1 ZINC000004971976 570386627 /nfs/dbraw/zinc/38/66/27/570386627.db2.gz DWOSFPAWEDFUHS-UHFFFAOYSA-N 0 0 396.450 4.702 50 0 GJAARN CSc1ccccc1C(=O)NCc1ccc([C@H](O)c2cccs2)s1 ZINC000090613549 570387282 /nfs/dbraw/zinc/38/72/82/570387282.db2.gz ZMMDULGBNALOBP-QGZVFWFLSA-N 0 0 375.540 4.543 50 0 GJAARN COc1ccc(NC(=O)N2CCO[C@H](c3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000090613860 570387350 /nfs/dbraw/zinc/38/73/50/570387350.db2.gz JJLVKQRSGDGRIJ-KRWDZBQOSA-N 0 0 381.259 4.607 50 0 GJAARN Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 ZINC000004978476 570388242 /nfs/dbraw/zinc/38/82/42/570388242.db2.gz XRMCHAFZXPNVAY-UHFFFAOYSA-N 0 0 391.496 4.900 50 0 GJAARN COc1ccc(NCN2C(=O)S/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000004620636 570388395 /nfs/dbraw/zinc/38/83/95/570388395.db2.gz FHHVIVLNAVRNDJ-GZTJUZNOSA-N 0 0 386.498 4.523 50 0 GJAARN CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 ZINC000004628742 570388733 /nfs/dbraw/zinc/38/87/33/570388733.db2.gz ZBULIMFQRZMOJA-CTASWTNQSA-N 0 0 375.534 4.814 50 0 GJAARN O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000004649425 570389458 /nfs/dbraw/zinc/38/94/58/570389458.db2.gz YIHHYXHFMIAISE-UOWZEBRGSA-N 0 0 399.855 4.861 50 0 GJAARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000004987418 570390101 /nfs/dbraw/zinc/39/01/01/570390101.db2.gz PKTIOBGIXAJGFU-UGSOOPFHSA-N 0 0 397.475 4.550 50 0 GJAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 ZINC000004663512 570390861 /nfs/dbraw/zinc/39/08/61/570390861.db2.gz UGJOYMWKTSIACP-UHFFFAOYSA-N 0 0 381.545 4.711 50 0 GJAARN Cc1ccc(C)c(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000220964747 570390957 /nfs/dbraw/zinc/39/09/57/570390957.db2.gz GVTWLPZWOYBIAZ-UHFFFAOYSA-N 0 0 398.550 4.893 50 0 GJAARN CN(C)c1cccc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)c1 ZINC000035539844 570391792 /nfs/dbraw/zinc/39/17/92/570391792.db2.gz SMBGUDBZSAIKLJ-UHFFFAOYSA-N 0 0 376.460 4.713 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cc2c(cccc2Cl)[nH]1 ZINC000024768775 570392559 /nfs/dbraw/zinc/39/25/59/570392559.db2.gz IPFSHQDBQDFNLI-UHFFFAOYSA-N 0 0 379.803 4.919 50 0 GJAARN CCCCn1c2nnc(SCc3ccc(C)cc3)n2c2ccsc2c1=O ZINC000035529101 570393519 /nfs/dbraw/zinc/39/35/19/570393519.db2.gz LSUKNVLALSBGCA-UHFFFAOYSA-N 0 0 384.530 4.507 50 0 GJAARN CCCCSc1nnc2n1c1ccsc1c(=O)n2C[C@@H](C)c1ccccc1 ZINC000035529631 570393790 /nfs/dbraw/zinc/39/37/90/570393790.db2.gz SDVSDDPNURGDPM-CQSZACIVSA-N 0 0 398.557 4.802 50 0 GJAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000004696175 570394250 /nfs/dbraw/zinc/39/42/50/570394250.db2.gz PEFGZLIUVPENTO-UHFFFAOYSA-N 0 0 380.256 4.676 50 0 GJAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)CCC)cc1 ZINC000004700581 570394638 /nfs/dbraw/zinc/39/46/38/570394638.db2.gz OIURDBHELOYLOL-QGZVFWFLSA-N 0 0 382.570 4.652 50 0 GJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccc(N(C)C)cc1 ZINC000035555053 570395659 /nfs/dbraw/zinc/39/56/59/570395659.db2.gz MQOCYBBVZPFPPH-UHFFFAOYSA-N 0 0 382.489 4.692 50 0 GJAARN Cc1ccnc(NC(=O)CC[C@H](CC(=O)Nc2cc(C)ccn2)C(C)(C)C)c1 ZINC000004710771 570396840 /nfs/dbraw/zinc/39/68/40/570396840.db2.gz JUTUKXIEVKZCKI-QGZVFWFLSA-N 0 0 382.508 4.503 50 0 GJAARN Cc1ccc(Cc2cnc(N3C(=N)S[C@@H](c4ccccc4)C3=O)s2)cc1 ZINC000005017013 570397029 /nfs/dbraw/zinc/39/70/29/570397029.db2.gz KBJMZLCYLXHEOK-KRWDZBQOSA-N 0 0 379.510 4.798 50 0 aggregator GJAARN O=C(Nc1ccc(NC(=O)c2cccc(F)c2)c(C(F)(F)F)c1)c1ccco1 ZINC000010964985 570397153 /nfs/dbraw/zinc/39/71/53/570397153.db2.gz UBMOTLDYPZWCHL-UHFFFAOYSA-N 0 0 392.308 4.942 50 0 GJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1(C)C ZINC000004717219 570397471 /nfs/dbraw/zinc/39/74/71/570397471.db2.gz CJNLULVRNIRSID-CTNGQTDRSA-N 0 0 376.500 4.794 50 0 GJAARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2)C1C(=O)OC(C)C ZINC000004731462 570398702 /nfs/dbraw/zinc/39/87/02/570398702.db2.gz CPUSLFRWOYXSJB-IBGZPJMESA-N 0 0 381.863 4.930 50 0 GJAARN COc1cc(NC(=O)Nc2c3ccccc3[nH]c2-c2cccnc2)cc(OC)c1 ZINC000033130717 570401856 /nfs/dbraw/zinc/40/18/56/570401856.db2.gz LEQSHLSSQPEAQW-UHFFFAOYSA-N 0 0 388.427 4.891 50 0 GJAARN CC(C)C(=O)Nc1cn(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cn1 ZINC000033140784 570402207 /nfs/dbraw/zinc/40/22/07/570402207.db2.gz VOPODVHRDNKPPY-UHFFFAOYSA-N 0 0 390.487 4.843 50 0 GJAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)N4CCC(C)CC4)cc3NC2=O)cc1 ZINC000005035831 570402757 /nfs/dbraw/zinc/40/27/57/570402757.db2.gz OSAHSSUPZPEKGP-FYJGNVAPSA-N 0 0 392.524 4.952 50 0 GJAARN CCOCc1c2ccccc2oc1C(=O)O[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000006386619 570403210 /nfs/dbraw/zinc/40/32/10/570403210.db2.gz BSGMPGZWYWGNJK-INIZCTEOSA-N 0 0 399.487 4.521 50 0 GJAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000033266117 570403943 /nfs/dbraw/zinc/40/39/43/570403943.db2.gz LPUUWNNDZBEHIT-UHFFFAOYSA-N 0 0 394.496 4.669 50 0 GJAARN Cc1ccc(Nc2c(-c3ccccc3O)nc3cnccn32)cc1Br ZINC000035622656 570404141 /nfs/dbraw/zinc/40/41/41/570404141.db2.gz CDZBMKBSZJLTBG-UHFFFAOYSA-N 0 0 395.260 4.916 50 0 GJAARN CCc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000033298223 570405302 /nfs/dbraw/zinc/40/53/02/570405302.db2.gz HHAGKNGBCADZFA-UHFFFAOYSA-N 0 0 391.452 4.742 50 0 GJAARN Cc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1 ZINC000006413369 570405553 /nfs/dbraw/zinc/40/55/53/570405553.db2.gz QCWGROFSQZSFRT-UHFFFAOYSA-N 0 0 384.435 4.979 50 0 GJAARN COc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn32)c(OC)c1 ZINC000033312659 570406303 /nfs/dbraw/zinc/40/63/03/570406303.db2.gz QPWSLEDHNOAMME-UHFFFAOYSA-N 0 0 388.427 4.663 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000004808924 570406738 /nfs/dbraw/zinc/40/67/38/570406738.db2.gz SXDIGIGUSCLQJG-UHFFFAOYSA-N 0 0 390.439 4.599 50 0 GJAARN Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccs4)n3)c2)cc1 ZINC000033327437 570406782 /nfs/dbraw/zinc/40/67/82/570406782.db2.gz WGLNSAQGSKTSJC-UHFFFAOYSA-N 0 0 391.452 4.791 50 0 GJAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3N2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000005058909 570406837 /nfs/dbraw/zinc/40/68/37/570406837.db2.gz PSPGGEPUGRNNKG-GASCZTMLSA-N 0 0 394.519 4.513 50 0 GJAARN CCN1c2ccc(NC(=O)c3cccc4ccccc43)cc2OCC(C)(C)C1=O ZINC000010972314 570407459 /nfs/dbraw/zinc/40/74/59/570407459.db2.gz XFHLQXAOCPNYDB-UHFFFAOYSA-N 0 0 388.467 4.864 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000012988524 570407668 /nfs/dbraw/zinc/40/76/68/570407668.db2.gz BTJSMSMAUJESFX-KRWDZBQOSA-N 0 0 380.271 4.745 50 0 GJAARN O=C(/C=C/c1cccc(Cl)c1)Nc1cc2c(cc1Br)OCCO2 ZINC000024945414 570408196 /nfs/dbraw/zinc/40/81/96/570408196.db2.gz VQYZVTRTLMQPLX-SNAWJCMRSA-N 0 0 394.652 4.526 50 0 GJAARN Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccccc2Br)c1 ZINC000004825997 570409184 /nfs/dbraw/zinc/40/91/84/570409184.db2.gz DJAQRSBZOWZGHR-UHFFFAOYSA-N 0 0 399.244 4.855 50 0 GJAARN CCc1cc2c(cc1OCC(=O)OC)occ(-c1ccc(C(C)C)cc1)c2=O ZINC000004833562 570409508 /nfs/dbraw/zinc/40/95/08/570409508.db2.gz ZUCLVFYNOUFCCC-UHFFFAOYSA-N 0 0 380.440 4.698 50 0 GJAARN O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1cccs1 ZINC000005063986 570409643 /nfs/dbraw/zinc/40/96/43/570409643.db2.gz TWMOEHGEPNKFIC-UHFFFAOYSA-N 0 0 397.463 4.772 50 0 GJAARN O=C(OCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000025330356 570411238 /nfs/dbraw/zinc/41/12/38/570411238.db2.gz UEJCYHVOVHNMHE-UHFFFAOYSA-N 0 0 379.165 4.676 50 0 GJAARN COCCn1c(SCc2cc(C)ccc2C)nnc1-c1c[nH]c2ccccc21 ZINC000006426289 570412134 /nfs/dbraw/zinc/41/21/34/570412134.db2.gz WWOMNVWHKWIQIB-UHFFFAOYSA-N 0 0 392.528 4.982 50 0 GJAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000025379564 570412541 /nfs/dbraw/zinc/41/25/41/570412541.db2.gz IKJQCLLYSPWOGO-XLSPSMHOSA-N 0 0 390.955 4.570 50 0 GJAARN COc1ccc(C(=O)Nc2c(C)nn(Cc3cccc4ccccc43)c2C)cc1 ZINC000004855846 570412786 /nfs/dbraw/zinc/41/27/86/570412786.db2.gz HBJXMWNEFXSXBX-UHFFFAOYSA-N 0 0 385.467 4.962 50 0 GJAARN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)c2ccccc2)c1 ZINC000006430508 570412963 /nfs/dbraw/zinc/41/29/63/570412963.db2.gz ZDRBTMBWRCLNTO-NRFANRHFSA-N 0 0 375.424 4.540 50 0 GJAARN Nc1ccccc1SCC(=O)Nc1ccc(Br)c2ccccc12 ZINC000004866002 570413494 /nfs/dbraw/zinc/41/34/94/570413494.db2.gz PPAAYSHGSRTOHX-UHFFFAOYSA-N 0 0 387.302 4.915 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000004868187 570414106 /nfs/dbraw/zinc/41/41/06/570414106.db2.gz AUQVHDVPCBLJQJ-UHFFFAOYSA-N 0 0 388.467 4.610 50 0 GJAARN Cc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000013007128 570415889 /nfs/dbraw/zinc/41/58/89/570415889.db2.gz UBSCROCAWRCRGZ-JTSKRJEESA-N 0 0 382.504 4.914 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000005099307 570416195 /nfs/dbraw/zinc/41/61/95/570416195.db2.gz NGAYDPZFWFGOKJ-UHFFFAOYSA-N 0 0 388.389 4.647 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3ccc4c(c3)OCCCO4)c2C)no1 ZINC000006436956 570417488 /nfs/dbraw/zinc/41/74/88/570417488.db2.gz XOUKKJOADALKCM-UHFFFAOYSA-N 0 0 398.484 4.527 50 0 GJAARN COc1ccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000005108281 570418723 /nfs/dbraw/zinc/41/87/23/570418723.db2.gz CWUVLPJCLNKKEC-UHFFFAOYSA-N 0 0 386.904 4.753 50 0 GJAARN COc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccccc1F ZINC000004942818 570418982 /nfs/dbraw/zinc/41/89/82/570418982.db2.gz UZXRUWQGYGMTKY-UHFFFAOYSA-N 0 0 375.827 4.950 50 0 GJAARN COc1ccc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 ZINC000025781797 570419442 /nfs/dbraw/zinc/41/94/42/570419442.db2.gz YJSUDLJDICUKHV-PGRDOPGGSA-N 0 0 376.412 4.539 50 0 GJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2o1 ZINC000004973308 570420444 /nfs/dbraw/zinc/42/04/44/570420444.db2.gz UASZFSNQRWHWCO-UHFFFAOYSA-N 0 0 385.379 4.897 50 0 GJAARN CCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 ZINC000004973345 570420457 /nfs/dbraw/zinc/42/04/57/570420457.db2.gz YOYKAEOVIDPJKL-UHFFFAOYSA-N 0 0 389.411 4.549 50 0 GJAARN CC(C)Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000032950202 570422336 /nfs/dbraw/zinc/42/23/36/570422336.db2.gz ZYKCTRNWQIOFEE-UHFFFAOYSA-N 0 0 395.482 4.638 50 0 GJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000004994410 570422401 /nfs/dbraw/zinc/42/24/01/570422401.db2.gz MUMGUZBYVGHOAO-UHFFFAOYSA-N 0 0 379.799 4.552 50 0 GJAARN CCN(C(=O)Cn1c(C(=O)OC)cc2oc3ccccc3c21)c1cccc(C)c1 ZINC000005135114 570424171 /nfs/dbraw/zinc/42/41/71/570424171.db2.gz DEOWYPXXWKVDCF-UHFFFAOYSA-N 0 0 390.439 4.536 50 0 GJAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1 ZINC000005136275 570424595 /nfs/dbraw/zinc/42/45/95/570424595.db2.gz TYLWQGISPKJXON-UHFFFAOYSA-N 0 0 392.480 4.602 50 0 GJAARN Cc1ccc(-n2ncc3c2ncn(Cc2ccc(Cl)cc2Cl)c3=O)cc1C ZINC000005139674 570425455 /nfs/dbraw/zinc/42/54/55/570425455.db2.gz KIMBADURYQYQAJ-UHFFFAOYSA-N 0 0 399.281 4.554 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4F)csc3n2)cc1 ZINC000005147126 570427023 /nfs/dbraw/zinc/42/70/23/570427023.db2.gz XSOSDDXTASEZEC-UHFFFAOYSA-N 0 0 383.423 4.831 50 0 GJAARN COc1ccccc1-c1noc(CSc2nc(-c3ccc(F)cc3)c[nH]2)n1 ZINC000026569776 570427164 /nfs/dbraw/zinc/42/71/64/570427164.db2.gz HETBOTSDKHMVFQ-UHFFFAOYSA-N 0 0 382.420 4.567 50 0 GJAARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000005147295 570427427 /nfs/dbraw/zinc/42/74/27/570427427.db2.gz NHNJGPDBZKBSDG-CQSZACIVSA-N 0 0 391.471 4.722 50 0 GJAARN Cc1ccc(-c2noc(CN3CCC(C(=O)c4ccc(C)cc4C)CC3)n2)cc1 ZINC000026641336 570427451 /nfs/dbraw/zinc/42/74/51/570427451.db2.gz TXRVFKDSMFQDKM-UHFFFAOYSA-N 0 0 389.499 4.757 50 0 GJAARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000005092807 570428997 /nfs/dbraw/zinc/42/89/97/570428997.db2.gz SCGLGXDJFXVEAD-NDENLUEZSA-N 0 0 390.464 4.566 50 0 GJAARN CCN(CC)c1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000239309541 570429062 /nfs/dbraw/zinc/42/90/62/570429062.db2.gz HRDZBROZDQSHGP-DZFGPLHGSA-N 0 0 389.536 4.694 50 0 GJAARN COc1ccc(-c2c(NC(=O)c3ccco3)oc3c(C)cccc3c2=O)cc1 ZINC000100676469 570430302 /nfs/dbraw/zinc/43/03/02/570430302.db2.gz JNECGYVCWQMLAS-UHFFFAOYSA-N 0 0 375.380 4.622 50 0 GJAARN CCCCNc1nc(S[C@H](CC)C(=O)NCc2ccco2)nc2ccccc21 ZINC000034138630 570433108 /nfs/dbraw/zinc/43/31/08/570433108.db2.gz VDVURGLLPGMYGK-GOSISDBHSA-N 0 0 398.532 4.622 50 0 GJAARN CCOc1ccccc1CNC(=O)c1c2cc(C)ccc2nnc1-c1ccccc1 ZINC000032953396 570433147 /nfs/dbraw/zinc/43/31/47/570433147.db2.gz BKFFOZONGCXRBG-UHFFFAOYSA-N 0 0 397.478 4.934 50 0 GJAARN CCc1ccccc1NC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000032953876 570433860 /nfs/dbraw/zinc/43/38/60/570433860.db2.gz NDMKFLFMIVUXFG-UHFFFAOYSA-N 0 0 390.487 4.586 50 0 GJAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000027385545 570434135 /nfs/dbraw/zinc/43/41/35/570434135.db2.gz VRRHNXHUYJNCOG-UHFFFAOYSA-N 0 0 393.443 4.804 50 0 GJAARN O=C([C@H]1CC=CCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024132416 570435649 /nfs/dbraw/zinc/43/56/49/570435649.db2.gz WVKMTGMGTRFQNB-FQEVSTJZSA-N 0 0 396.481 4.555 50 0 GJAARN O=C(CCC1CCCC1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000027602524 570437361 /nfs/dbraw/zinc/43/73/61/570437361.db2.gz AMOBLBLPVHJQCU-UHFFFAOYSA-N 0 0 380.444 4.577 50 0 GJAARN Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 ZINC000011023683 570437632 /nfs/dbraw/zinc/43/76/32/570437632.db2.gz PUAQQVKSCBQETH-UHFFFAOYSA-N 0 0 380.423 4.900 50 0 GJAARN O=C(Nc1ccccc1SCc1ccsc1)c1ccc(-n2cncn2)cc1 ZINC000027821784 570443876 /nfs/dbraw/zinc/44/38/76/570443876.db2.gz XUWFHSYMZOZPEX-UHFFFAOYSA-N 0 0 392.509 4.873 50 0 GJAARN C[C@@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000064364559 570444760 /nfs/dbraw/zinc/44/47/60/570444760.db2.gz ZCFCRNYHLHMJGX-CYBMUJFWSA-N 0 0 376.437 4.773 50 0 GJAARN Cc1cccc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n32)c1 ZINC000011903166 570445048 /nfs/dbraw/zinc/44/50/48/570445048.db2.gz ZJYKGCYLKGXNCS-UHFFFAOYSA-N 0 0 376.485 4.539 50 0 GJAARN CCCCOc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 ZINC000044420237 570445061 /nfs/dbraw/zinc/44/50/61/570445061.db2.gz CNYBDLGVRMXREX-MRXNPFEDSA-N 0 0 395.434 4.575 50 0 GJAARN Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)no2)cc1C ZINC000044422004 570446478 /nfs/dbraw/zinc/44/64/78/570446478.db2.gz RXLBSHIUEQIADW-AWEZNQCLSA-N 0 0 385.826 4.666 50 0 GJAARN O=[S@](Cc1ccccc1)/C(=C/NC(=S)Nc1ccccc1)c1ccccc1 ZINC000005582176 570447361 /nfs/dbraw/zinc/44/73/61/570447361.db2.gz XKXNSSGXGWFECQ-BHAFLUAZSA-N 0 0 392.549 4.921 50 0 GJAARN COc1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 ZINC000011915759 570448180 /nfs/dbraw/zinc/44/81/80/570448180.db2.gz LDIUBOAMPMVYDQ-UHFFFAOYSA-N 0 0 385.832 4.866 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1cccs1)C[C@H](C(C)(C)C)CC2 ZINC000001918406 570448306 /nfs/dbraw/zinc/44/83/06/570448306.db2.gz CQQIYDJYILKMPR-LLVKDONJSA-N 0 0 377.531 5.000 50 0 GJAARN COc1cc(C(C)=O)ccc1OCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000054175306 570451297 /nfs/dbraw/zinc/45/12/97/570451297.db2.gz WEUCXJCQPVZJIA-UHFFFAOYSA-N 0 0 375.424 4.729 50 0 GJAARN C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000001982781 570451784 /nfs/dbraw/zinc/45/17/84/570451784.db2.gz FCGBYWTZJINUJO-HNNXBMFYSA-N 0 0 379.387 4.802 50 0 GJAARN Cc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)n1 ZINC000028195067 570451913 /nfs/dbraw/zinc/45/19/13/570451913.db2.gz WVAWXSIHAZOXGG-UHFFFAOYSA-N 0 0 382.261 4.775 50 0 GJAARN O=C(NC1CCCCC1)[C@@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000223244740 570452738 /nfs/dbraw/zinc/45/27/38/570452738.db2.gz VVYNOTLPOWYDAM-INIZCTEOSA-N 0 0 395.450 4.778 50 0 GJAARN CCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028251629 570453133 /nfs/dbraw/zinc/45/31/33/570453133.db2.gz YZRKBDAPXKQLGJ-UHFFFAOYSA-N 0 0 386.904 4.835 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)ncn1 ZINC000012016761 570454343 /nfs/dbraw/zinc/45/43/43/570454343.db2.gz SEZKVIBSGKKZGL-ZDUSSCGKSA-N 0 0 399.903 4.925 50 0 GJAARN O=C(C=Cc1ccco1)Oc1ccc(C=NNc2cccc3cccnc32)cc1 ZINC000252642956 570455548 /nfs/dbraw/zinc/45/55/48/570455548.db2.gz ZRVHOUMRNYAMIR-NYODGNMJSA-N 0 0 383.407 4.893 50 0 GJAARN O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 ZINC000005777055 570456380 /nfs/dbraw/zinc/45/63/80/570456380.db2.gz 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CC[C@@H](C)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)C1CC1 ZINC000035972119 570490464 /nfs/dbraw/zinc/49/04/64/570490464.db2.gz OFCFPAJHRZNGJA-QGZVFWFLSA-N 0 0 382.552 4.599 50 0 GJAARN Cc1ccc(CSc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccn23)cc1 ZINC000064593917 570490545 /nfs/dbraw/zinc/49/05/45/570490545.db2.gz RHNAABOUFHERCK-UHFFFAOYSA-N 0 0 390.512 4.604 50 0 GJAARN O=C(Nc1nc2c(s1)CCCCC2)c1cnn(-c2ccccc2)c1C1CC1 ZINC000030627834 570492427 /nfs/dbraw/zinc/49/24/27/570492427.db2.gz BETCWNPUSCOHMT-UHFFFAOYSA-N 0 0 378.501 4.727 50 0 GJAARN CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(CC)CC)c3N2)cc1 ZINC000006759778 570492555 /nfs/dbraw/zinc/49/25/55/570492555.db2.gz VNEAOSQSBMZIFD-IRXDYDNUSA-N 0 0 394.441 4.588 50 0 GJAARN Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCC[C@@H]1OCCC(C)C ZINC000089548262 570492729 /nfs/dbraw/zinc/49/27/29/570492729.db2.gz JCPAMNVCOYFEIJ-MJGOQNOKSA-N 0 0 390.549 4.744 50 0 GJAARN CCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000006783477 570493307 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Cc1nc2ccccc2c2nc(NC(=O)c3sc4ccccc4c3Cl)nn21 ZINC000005712599 570500504 /nfs/dbraw/zinc/50/05/04/570500504.db2.gz XUTNBIPKLNRJDV-UHFFFAOYSA-N 0 0 393.859 4.706 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ncc(C)s3)c3ccccc3n2)cc1 ZINC000002639619 570501329 /nfs/dbraw/zinc/50/13/29/570501329.db2.gz IHWCCCOWAHZHEF-UHFFFAOYSA-N 0 0 375.453 4.928 50 0 GJAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@H](NC(=O)COc1cccc(C)c1C)C3 ZINC000022674662 570501661 /nfs/dbraw/zinc/50/16/61/570501661.db2.gz KBVNMSDKEVBQCG-KRWDZBQOSA-N 0 0 396.918 4.799 50 0 GJAARN Cc1cnc(C)c(-c2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)n1 ZINC000426627817 570502440 /nfs/dbraw/zinc/50/24/40/570502440.db2.gz PRWFULNCINIUPQ-FQEVSTJZSA-N 0 0 375.447 4.529 50 0 GJAARN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 ZINC000002709651 570506666 /nfs/dbraw/zinc/50/66/66/570506666.db2.gz ALJGRHYIRGOXGI-UHFFFAOYSA-N 0 0 386.517 4.586 50 0 GJAARN O=C(c1ccc(F)cc1)N(Cc1cc(-c2ccccc2)on1)Cc1ccco1 ZINC000036004522 570509744 /nfs/dbraw/zinc/50/97/44/570509744.db2.gz INYSNXSSPWZEJG-UHFFFAOYSA-N 0 0 376.387 4.916 50 0 GJAARN COc1ccc(OCc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1 ZINC000064658697 570511184 /nfs/dbraw/zinc/51/11/84/570511184.db2.gz ZHDLNRLNRIJXIX-UHFFFAOYSA-N 0 0 387.819 4.782 50 0 GJAARN Cc1nn(C)cc1-c1cc(C(F)(F)Cl)c2c(C)nn(-c3ccccc3)c2n1 ZINC000002733810 570512070 /nfs/dbraw/zinc/51/20/70/570512070.db2.gz REDHOMQXEOPPBU-UHFFFAOYSA-N 0 0 387.821 4.726 50 0 GJAARN CCc1c(C)sc(NC(=O)COc2ccc3ccccc3c2)c1C(=O)OC ZINC000002764148 570512779 /nfs/dbraw/zinc/51/27/79/570512779.db2.gz KYRQKCCCZTZKQO-UHFFFAOYSA-N 0 0 383.469 4.576 50 0 GJAARN O=c1[nH]c2cc(-c3noc(-c4ccccc4Cl)n3)ccc2n1C1CCCC1 ZINC000064661850 570512833 /nfs/dbraw/zinc/51/28/33/570512833.db2.gz MHFAJRVBMLKWSD-UHFFFAOYSA-N 0 0 380.835 4.815 50 0 GJAARN Cc1nc2cc(-c3noc(-c4ccsc4)n3)ccc2n(C2CCCC2)c1=O ZINC000064661724 570512913 /nfs/dbraw/zinc/51/29/13/570512913.db2.gz HJFRFXQMACSNKO-UHFFFAOYSA-N 0 0 378.457 4.599 50 0 GJAARN CCCOC(=O)c1c(NC(=O)c2ccc(OCCC)cc2)sc2c1CCC2 ZINC000002751471 570513556 /nfs/dbraw/zinc/51/35/56/570513556.db2.gz VQTHPWORHQHENL-UHFFFAOYSA-N 0 0 387.501 4.845 50 0 GJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCOC[C@@H]1c1ccccc1 ZINC000072303773 570514506 /nfs/dbraw/zinc/51/45/06/570514506.db2.gz YYJLXBSLTSLWLN-LJQANCHMSA-N 0 0 398.915 4.606 50 0 GJAARN CCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072303856 570514713 /nfs/dbraw/zinc/51/47/13/570514713.db2.gz BDHLGAIAGBKAMR-HXUWFJFHSA-N 0 0 380.488 4.641 50 0 GJAARN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1c(Cl)cccc1Cl ZINC000007759745 570514960 /nfs/dbraw/zinc/51/49/60/570514960.db2.gz HNIDMRZTEXJYDP-UHFFFAOYSA-N 0 0 382.634 4.627 50 0 GJAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000002769713 570515371 /nfs/dbraw/zinc/51/53/71/570515371.db2.gz QJTABADBDIRKTI-UHFFFAOYSA-N 0 0 382.316 4.831 50 0 GJAARN Cc1ccc(CNC(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccccn32)o1 ZINC000064675721 570516197 /nfs/dbraw/zinc/51/61/97/570516197.db2.gz 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GJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)cc1 ZINC000006752965 570571869 /nfs/dbraw/zinc/57/18/69/570571869.db2.gz OLJFYTHJRGCGHJ-HXUWFJFHSA-N 0 0 381.863 4.781 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@H]1c1ccncc1 ZINC000004329874 570573818 /nfs/dbraw/zinc/57/38/18/570573818.db2.gz XKQRCIKWKYQCDC-GOSISDBHSA-N 0 0 387.270 4.827 50 0 GJAARN Cc1ccc(-c2cc(OCC(=O)NCCc3ccccc3)c3ccccc3n2)cc1 ZINC000032985887 570573808 /nfs/dbraw/zinc/57/38/08/570573808.db2.gz AMUROMUGLQMVOK-UHFFFAOYSA-N 0 0 396.490 4.948 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@@H]1c1ccncc1 ZINC000004329876 570573908 /nfs/dbraw/zinc/57/39/08/570573908.db2.gz XKQRCIKWKYQCDC-SFHVURJKSA-N 0 0 387.270 4.827 50 0 GJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N(C)Cc3ccccc3)c(C)c21 ZINC000006759054 570574042 /nfs/dbraw/zinc/57/40/42/570574042.db2.gz SGJMHGFNODDUOZ-UHFFFAOYSA-N 0 0 389.451 4.666 50 0 GJAARN CCCCNC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC)c2c1 ZINC000032986449 570574318 /nfs/dbraw/zinc/57/43/18/570574318.db2.gz WJNPKRHJPHVNMK-UHFFFAOYSA-N 0 0 378.472 4.839 50 0 GJAARN C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1-2)C(=O)c1cccc(Cl)c1 ZINC000011565726 570576545 /nfs/dbraw/zinc/57/65/45/570576545.db2.gz LHSCWJJGZLJSPQ-CYBMUJFWSA-N 0 0 390.822 4.980 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Oc1ccc(-c2nnco2)cc1 ZINC000032996073 570577833 /nfs/dbraw/zinc/57/78/33/570577833.db2.gz SMSRZCMHPQUBNE-UHFFFAOYSA-N 0 0 399.765 4.712 50 0 GJAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc4sc(N)nc4c3)C2)cc1 ZINC000011665196 570578926 /nfs/dbraw/zinc/57/89/26/570578926.db2.gz PPXMXRUNGMAMGZ-SFHVURJKSA-N 0 0 394.544 4.719 50 0 GJAARN CCOc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)cs3)c2C)cc1 ZINC000038486436 570579741 /nfs/dbraw/zinc/57/97/41/570579741.db2.gz CDQZWPCMKKHVFS-UHFFFAOYSA-N 0 0 380.448 4.904 50 0 GJAARN CCn1c(=O)c(C)nc2cc(-c3noc(/C=C/c4ccccc4Cl)n3)ccc21 ZINC000064890337 570580016 /nfs/dbraw/zinc/58/00/16/570580016.db2.gz DAPYYOMKXVREKV-PKNBQFBNSA-N 0 0 392.846 4.599 50 0 GJAARN COc1ccc(NC(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1Cl ZINC000038670837 570580790 /nfs/dbraw/zinc/58/07/90/570580790.db2.gz PIDGPCXOBIQBPF-UHFFFAOYSA-N 0 0 384.823 4.883 50 0 GJAARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036247644 570581555 /nfs/dbraw/zinc/58/15/55/570581555.db2.gz NUTRSYKVQDMEIQ-KRWDZBQOSA-N 0 0 397.496 4.660 50 0 GJAARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248033 570581973 /nfs/dbraw/zinc/58/19/73/570581973.db2.gz WSGSTFUAFMCGPP-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN Cc1ccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)cc1C ZINC000005392175 570583420 /nfs/dbraw/zinc/58/34/20/570583420.db2.gz WXVWFMQLXAABED-UHFFFAOYSA-N 0 0 379.514 4.695 50 0 GJAARN COc1ccc(NC(=O)c2c(C)cc(C)n2Cc2ccccc2F)cc1OC ZINC000006773029 570583562 /nfs/dbraw/zinc/58/35/62/570583562.db2.gz TZNLQZYXTGABJB-UHFFFAOYSA-N 0 0 382.435 4.562 50 0 GJAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccccc3)C(=O)CC(C)(C)C)C2)cc1 ZINC000006776804 570584423 /nfs/dbraw/zinc/58/44/23/570584423.db2.gz YQJNOMPQBVFVQA-NRFANRHFSA-N 0 0 378.516 4.953 50 0 GJAARN CCOc1ccc(C(=O)[C@@H](C)[C@H](C)c2cc(Cl)cc3c2OCOC3)c(O)c1 ZINC000002160657 570588726 /nfs/dbraw/zinc/58/87/26/570588726.db2.gz ZHTDENBYWIFXCL-STQMWFEESA-N 0 0 390.863 4.933 50 0 biogenic GJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cccc(C)c2)CC1 ZINC000011874784 570589986 /nfs/dbraw/zinc/58/99/86/570589986.db2.gz LSZHBJNCKBLWLN-UHFFFAOYSA-N 0 0 393.527 4.803 50 0 GJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000005442755 570594574 /nfs/dbraw/zinc/59/45/74/570594574.db2.gz XZHIWXNACOTRRE-DNQXCXABSA-N 0 0 398.506 4.742 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1nnc(N(CC(C)C)CC(C)C)s1 ZINC000006792384 570596782 /nfs/dbraw/zinc/59/67/82/570596782.db2.gz IRIOWIYPQSKAFT-UHFFFAOYSA-N 0 0 391.541 4.699 50 0 GJAARN COc1cccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1 ZINC000005451994 570597141 /nfs/dbraw/zinc/59/71/41/570597141.db2.gz UKEBPWZLQBDPIV-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 GJAARN O=C(CN1CCCCC1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1 ZINC000005451906 570597227 /nfs/dbraw/zinc/59/72/27/570597227.db2.gz LVCKCGVHPXOVDI-UHFFFAOYSA-N 0 0 396.874 4.538 50 0 GJAARN CCOc1ccc(OCC)c(Nc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)c1 ZINC000006793442 570597456 /nfs/dbraw/zinc/59/74/56/570597456.db2.gz LHQMMMJHTIZNOU-UHFFFAOYSA-N 0 0 379.456 4.614 50 0 GJAARN C=C1C(NC[C@H](C)c2ccccc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006797398 570597743 /nfs/dbraw/zinc/59/77/43/570597743.db2.gz MDXVRPBLTZVKNU-INIZCTEOSA-N 0 0 382.529 4.676 50 0 GJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000040485288 570597804 /nfs/dbraw/zinc/59/78/04/570597804.db2.gz RAEMQLCXNQGYCV-JOCHJYFZSA-N 0 0 389.426 4.887 50 0 GJAARN C=C1C(N[C@H]2CCCc3ccccc32)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006797392 570597868 /nfs/dbraw/zinc/59/78/68/570597868.db2.gz JKYUCYROKUMBKF-NRFANRHFSA-N 0 0 394.540 4.950 50 0 GJAARN O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccc(O)cc2)N1c1ccccc1 ZINC000005453963 570598098 /nfs/dbraw/zinc/59/80/98/570598098.db2.gz VMDGGUCJGIMQTO-JOCHJYFZSA-N 0 0 385.398 4.671 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl ZINC000003231651 570599053 /nfs/dbraw/zinc/59/90/53/570599053.db2.gz NNVZWAKFDQDAOT-UHFFFAOYSA-N 0 0 386.662 4.680 50 0 GJAARN Cc1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000005459035 570599795 /nfs/dbraw/zinc/59/97/95/570599795.db2.gz ZDTFWQIIHZOUOR-UHFFFAOYSA-N 0 0 389.886 4.976 50 0 GJAARN CC(C)c1ccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000003315200 570602907 /nfs/dbraw/zinc/60/29/07/570602907.db2.gz RJDLOAIALCTSQD-UHFFFAOYSA-N 0 0 390.483 4.966 50 0 GJAARN Cc1nc2cc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)ccc2n1C ZINC000119193332 570603271 /nfs/dbraw/zinc/60/32/71/570603271.db2.gz NIMYDYBMKVHVEO-UHFFFAOYSA-N 0 0 376.847 4.849 50 0 GJAARN COc1ccc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cc1OC ZINC000012058193 570603282 /nfs/dbraw/zinc/60/32/82/570603282.db2.gz ZAZBLCOLOKQIOG-UHFFFAOYSA-N 0 0 386.879 4.953 50 0 GJAARN CCCCN(C)C(=O)c1ccc(-c2cc(Oc3cccc(OC)c3)ncn2)cc1 ZINC000064568584 570604463 /nfs/dbraw/zinc/60/44/63/570604463.db2.gz HSBPMIXGPWBKBA-UHFFFAOYSA-N 0 0 391.471 4.817 50 0 GJAARN Cc1ccc(C)c(Cn2c3ccccc3c(C[NH2+]Cc3cccnc3)c2C(=O)[O-])c1 ZINC000006803240 570605318 /nfs/dbraw/zinc/60/53/18/570605318.db2.gz RPOKLUWGYSRJID-UHFFFAOYSA-N 0 0 399.494 4.689 50 0 GJAARN O=C([O-])c1c(C[NH2+]Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1 ZINC000006803667 570605701 /nfs/dbraw/zinc/60/57/01/570605701.db2.gz IJVHBFCAHOZTIA-UHFFFAOYSA-N 0 0 388.442 4.817 50 0 GJAARN O=C(CNC(=O)Cc1cccc2ccccc21)Nc1ccc(-c2ccccc2)cc1 ZINC000003407687 570606893 /nfs/dbraw/zinc/60/68/93/570606893.db2.gz RMOZBKKGHOPTSV-UHFFFAOYSA-N 0 0 394.474 4.804 50 0 GJAARN Cn1c2ccccc2c(=O)c(-c2ccccc2F)c1NC(=O)C1CCCCC1 ZINC000006804529 570608350 /nfs/dbraw/zinc/60/83/50/570608350.db2.gz SJGGPWXIFYOXCK-UHFFFAOYSA-N 0 0 378.447 4.863 50 0 GJAARN CCCN(CCC)C(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000006808867 570610650 /nfs/dbraw/zinc/61/06/50/570610650.db2.gz JVEHXVYXDRXESS-UHFFFAOYSA-N 0 0 378.520 4.513 50 0 GJAARN COc1cccc(-c2nc(CCNC(=O)CCCc3ccccc3)cs2)c1 ZINC000005482873 570610881 /nfs/dbraw/zinc/61/08/81/570610881.db2.gz LNVSDCKHWZNGIT-UHFFFAOYSA-N 0 0 380.513 4.500 50 0 GJAARN COc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C(C)(C)C)c2C)cc1 ZINC000006809010 570610923 /nfs/dbraw/zinc/61/09/23/570610923.db2.gz VMJHZDGEMVTQCC-UHFFFAOYSA-N 0 0 394.519 4.691 50 0 GJAARN O=C(NCc1ccccc1Cl)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955809 570611801 /nfs/dbraw/zinc/61/18/01/570611801.db2.gz CPQWXIRWPMZHRF-UHFFFAOYSA-N 0 0 393.849 4.807 50 0 GJAARN Cc1cccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 ZINC000005505536 570615807 /nfs/dbraw/zinc/61/58/07/570615807.db2.gz HBVPQOFSBHZTQI-LJQANCHMSA-N 0 0 393.512 4.891 50 0 GJAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000033000567 570617493 /nfs/dbraw/zinc/61/74/93/570617493.db2.gz AFBFJDZFEWPDRT-UHFFFAOYSA-N 0 0 389.477 4.515 50 0 GJAARN O=C(Cn1nc(-c2ccccc2)c2cnc3ccccc3c21)Nc1ccccc1 ZINC000006817109 570618608 /nfs/dbraw/zinc/61/86/08/570618608.db2.gz JYKCSXIKDFRKQR-UHFFFAOYSA-N 0 0 378.435 4.890 50 0 GJAARN Cn1nc(C(=O)N[C@H]2CCCc3ccccc32)c2c1-c1ccccc1SC2 ZINC000006817657 570619238 /nfs/dbraw/zinc/61/92/38/570619238.db2.gz RKOJOYSLQPODSI-SFHVURJKSA-N 0 0 375.497 4.500 50 0 GJAARN Cc1ccccc1NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004592917 570622985 /nfs/dbraw/zinc/62/29/85/570622985.db2.gz OMBHGVXIPDFHQD-HXUWFJFHSA-N 0 0 378.859 4.758 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3C)C2)cc1C ZINC000036344880 570627118 /nfs/dbraw/zinc/62/71/18/570627118.db2.gz FPVDQLCXQSULOR-XMMPIXPASA-N 0 0 389.543 4.775 50 0 GJAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3F)C2)c1 ZINC000036345501 570628080 /nfs/dbraw/zinc/62/80/80/570628080.db2.gz YDLBRDKQFPYYCB-QHCPKHFHSA-N 0 0 393.506 4.606 50 0 GJAARN CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000004597470 570628900 /nfs/dbraw/zinc/62/89/00/570628900.db2.gz HHZXLLAYHLGEBG-FQEVSTJZSA-N 0 0 394.906 4.847 50 0 GJAARN COc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3Cl)SC2)cc1 ZINC000004598341 570630069 /nfs/dbraw/zinc/63/00/69/570630069.db2.gz VEILSIIRDYBDDP-UHFFFAOYSA-N 0 0 391.283 4.619 50 0 GJAARN Cc1ccsc1-c1nn2c(nnc2-c2ccc(F)c(Br)c2)s1 ZINC000036354544 570636143 /nfs/dbraw/zinc/63/61/43/570636143.db2.gz WSBKOALOVXTBLB-UHFFFAOYSA-N 0 0 395.282 4.791 50 0 GJAARN CCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1 ZINC000006833995 570636968 /nfs/dbraw/zinc/63/69/68/570636968.db2.gz ALSYYWACDRMZRM-GOSISDBHSA-N 0 0 394.418 4.833 50 0 GJAARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3cccc(OC)c3)c[nH]c21 ZINC000006835652 570637956 /nfs/dbraw/zinc/63/79/56/570637956.db2.gz MNEVIZWXQMDVMX-OAQYLSRUSA-N 0 0 376.500 4.883 50 0 GJAARN CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)s1 ZINC000036357922 570638343 /nfs/dbraw/zinc/63/83/43/570638343.db2.gz DZQVBXNVNIVWNI-UHFFFAOYSA-N 0 0 384.505 4.584 50 0 GJAARN COC(=O)C1=C(C)N(Cc2cccc(C)c2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000006836909 570639652 /nfs/dbraw/zinc/63/96/52/570639652.db2.gz FHDKBJIMXWAJOB-GOSISDBHSA-N 0 0 383.875 4.612 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840456 570641458 /nfs/dbraw/zinc/64/14/58/570641458.db2.gz BJTRMXDYMLWRNN-UHFFFAOYSA-N 0 0 395.528 4.869 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)c1OC ZINC000036367020 570644918 /nfs/dbraw/zinc/64/49/18/570644918.db2.gz SQSRFPMMPGTCKC-HNNXBMFYSA-N 0 0 383.835 4.667 50 0 GJAARN COc1ccc2oc(-c3noc(C(=O)NC4CCCCCCC4)n3)c(C)c2c1 ZINC000065010289 570646416 /nfs/dbraw/zinc/64/64/16/570646416.db2.gz PJXFBJAHNRXXNK-UHFFFAOYSA-N 0 0 383.448 4.643 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(F)c2)N1Cc1ccccc1 ZINC000005561357 570647518 /nfs/dbraw/zinc/64/75/18/570647518.db2.gz WXGSHPMCCDRMCR-NRFANRHFSA-N 0 0 385.394 4.678 50 0 GJAARN O=C1CCCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c21 ZINC000000844081 570647637 /nfs/dbraw/zinc/64/76/37/570647637.db2.gz PYGZZOGXQVHUFZ-UHFFFAOYSA-N 0 0 391.448 4.906 50 0 GJAARN O=C(NC1CCCCC1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025608 570650270 /nfs/dbraw/zinc/65/02/70/570650270.db2.gz SLTJBSQLMVAHRN-UHFFFAOYSA-N 0 0 386.499 4.818 50 0 GJAARN CCn1c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2n(CC)c1=O ZINC000046009460 570650475 /nfs/dbraw/zinc/65/04/75/570650475.db2.gz ZSOBZBGHQZNFCW-UHFFFAOYSA-N 0 0 392.381 4.506 50 0 GJAARN CCSc1nc(-c2ccccc2Cl)nc2c1Cc1c(CO)cnc(C)c1O2 ZINC000006858368 570650706 /nfs/dbraw/zinc/65/07/06/570650706.db2.gz JOMPGINKXSHBGJ-UHFFFAOYSA-N 0 0 399.903 4.801 50 0 GJAARN CCc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000046141164 570650986 /nfs/dbraw/zinc/65/09/86/570650986.db2.gz NLICNMQANLTIRC-UHFFFAOYSA-N 0 0 376.456 4.962 50 0 GJAARN Cc1ccccc1Cn1nnc2cc(C(=O)NC3CCCCCCC3)ccc21 ZINC000065030248 570651095 /nfs/dbraw/zinc/65/10/95/570651095.db2.gz UXWXKADUAGLXAE-UHFFFAOYSA-N 0 0 376.504 4.631 50 0 GJAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)Nc1ccc(F)cc1F ZINC000065031432 570652101 /nfs/dbraw/zinc/65/21/01/570652101.db2.gz NMUITJWQCWRPKC-UHFFFAOYSA-N 0 0 391.377 4.593 50 0 GJAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)NCc1cccs1 ZINC000004601600 570654098 /nfs/dbraw/zinc/65/40/98/570654098.db2.gz TYNCAYYAVTXITD-UHFFFAOYSA-N 0 0 397.550 4.828 50 0 GJAARN COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 ZINC000005577084 570659345 /nfs/dbraw/zinc/65/93/45/570659345.db2.gz DHAYBWULHPUJLS-XHEFNCKESA-N 0 0 384.476 4.776 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)NCCc1nc2cccnc2n1C1CCCC1 ZINC000033025528 570660029 /nfs/dbraw/zinc/66/00/29/570660029.db2.gz BAOUILZKKRTBSC-UHFFFAOYSA-N 0 0 397.910 4.872 50 0 GJAARN Cc1ccc([C@H]2c3ccccc3NC(=O)CN2C(=S)Nc2ccccc2)cc1 ZINC000072314716 570662825 /nfs/dbraw/zinc/66/28/25/570662825.db2.gz DNGCTHQTJBNJHI-QFIPXVFZSA-N 0 0 387.508 4.736 50 0 GJAARN Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1F ZINC000005471597 570663182 /nfs/dbraw/zinc/66/31/82/570663182.db2.gz KVFFSHNTSNFSKO-UHFFFAOYSA-N 0 0 377.415 4.526 50 0 GJAARN Cc1oc(-c2ccc(F)cc2)nc1CN1CCC([C@@H](O)c2cccs2)CC1 ZINC000012439438 570663536 /nfs/dbraw/zinc/66/35/36/570663536.db2.gz ARVXMRTXLDMDES-HXUWFJFHSA-N 0 0 386.492 4.796 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 ZINC000169759783 570663584 /nfs/dbraw/zinc/66/35/84/570663584.db2.gz JWVSGUMAEHHUEQ-LJQANCHMSA-N 0 0 385.826 4.508 50 0 GJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc2ncsc2c1 ZINC000033028446 570666213 /nfs/dbraw/zinc/66/62/13/570666213.db2.gz SMRLTTVDGXBIOH-SFHVURJKSA-N 0 0 385.920 4.517 50 0 GJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000229740835 570666342 /nfs/dbraw/zinc/66/63/42/570666342.db2.gz BASNASACFHDNLR-LZQZEXGQSA-N 0 0 377.960 4.528 50 0 GJAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Nc2cccc(C)c2C)C1 ZINC000065058671 570667430 /nfs/dbraw/zinc/66/74/30/570667430.db2.gz ZQCJDAFKVIHTIM-DEOSSOPVSA-N 0 0 393.531 4.562 50 0 GJAARN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(CC)Cc1ccccc1 ZINC000231424687 570670416 /nfs/dbraw/zinc/67/04/16/570670416.db2.gz BXLBYIMZPNZMCM-UHFFFAOYSA-N 0 0 375.534 4.728 50 0 GJAARN CCCCOc1ccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1 ZINC000169762136 570670695 /nfs/dbraw/zinc/67/06/95/570670695.db2.gz TZNYUPIALCDJNZ-QGZVFWFLSA-N 0 0 383.492 4.564 50 0 GJAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)Nc2ccc(C)cc2)CC1 ZINC000033034537 570671043 /nfs/dbraw/zinc/67/10/43/570671043.db2.gz FYJNVAPRGSCJFB-UHFFFAOYSA-N 0 0 388.515 4.653 50 0 GJAARN O=C(NCc1ccccc1)c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC000033034658 570671115 /nfs/dbraw/zinc/67/11/15/570671115.db2.gz HWNOETLVPUTTJV-XMMPIXPASA-N 0 0 398.506 4.636 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ncccc2-n2cccc2)CC1 ZINC000033034551 570671169 /nfs/dbraw/zinc/67/11/69/570671169.db2.gz XSDNKPYWQSGYMB-UHFFFAOYSA-N 0 0 394.906 4.689 50 0 GJAARN Cc1ccc(Cn2nc(Cl)nc2Sc2ccccc2NC(=O)C2CC2)cc1 ZINC000033036254 570672000 /nfs/dbraw/zinc/67/20/00/570672000.db2.gz YXSDUTSODVURPB-UHFFFAOYSA-N 0 0 398.919 4.788 50 0 GJAARN CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000005783324 570672281 /nfs/dbraw/zinc/67/22/81/570672281.db2.gz QEPZSJRMSHIRBH-UHFFFAOYSA-N 0 0 381.819 4.819 50 0 GJAARN C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000005622325 570672393 /nfs/dbraw/zinc/67/23/93/570672393.db2.gz BPFHPNMKZGBEDK-SNVBAGLBSA-N 0 0 377.441 4.603 50 0 GJAARN CCCCN(C)C(=O)c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000065063197 570674364 /nfs/dbraw/zinc/67/43/64/570674364.db2.gz OJLWRMBLUVYZRK-UHFFFAOYSA-N 0 0 379.435 4.947 50 0 GJAARN Brc1cc2c(cc1CSc1nc3ccccc3o1)OCCO2 ZINC000005628687 570675983 /nfs/dbraw/zinc/67/59/83/570675983.db2.gz SLWBJLLVTRNMDZ-UHFFFAOYSA-N 0 0 378.247 4.654 50 0 GJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000006881129 570676176 /nfs/dbraw/zinc/67/61/76/570676176.db2.gz XBUTXRCMZBFTMA-INIZCTEOSA-N 0 0 390.414 4.610 50 0 GJAARN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000006881144 570676245 /nfs/dbraw/zinc/67/62/45/570676245.db2.gz SDZGICZGULTBNP-XHDPSFHLSA-N 0 0 397.327 4.537 50 0 GJAARN Cc1ccc(/C=C/C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)o1 ZINC000006790309 570676398 /nfs/dbraw/zinc/67/63/98/570676398.db2.gz RJIHANUBPXLITE-ARKBFRDHSA-N 0 0 379.387 4.664 50 0 GJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1sc2ccccc2c1Cl ZINC000036392911 570676419 /nfs/dbraw/zinc/67/64/19/570676419.db2.gz PIIIPVBVTPSYIW-CYBMUJFWSA-N 0 0 396.903 4.969 50 0 GJAARN CCCCOc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)[nH]n2)cc1 ZINC000072331579 570677808 /nfs/dbraw/zinc/67/78/08/570677808.db2.gz KQARHZHOGSPVME-HXUWFJFHSA-N 0 0 375.472 4.673 50 0 GJAARN COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2-c2ccccc2F)cc1 ZINC000005638232 570678260 /nfs/dbraw/zinc/67/82/60/570678260.db2.gz SOUWDQHFQNJTLC-IBGZPJMESA-N 0 0 397.475 4.686 50 0 GJAARN Cc1cccc(-n2ccnc(S[C@H](C)C(=O)c3ccc(C)c(C)c3)c2=O)c1 ZINC000033039839 570678563 /nfs/dbraw/zinc/67/85/63/570678563.db2.gz SEYPEESBJDKLOP-QGZVFWFLSA-N 0 0 378.497 4.521 50 0 GJAARN Cc1ccc(C(=O)[C@H](C)Sc2nccn(-c3ccc(Cl)cc3)c2=O)cc1C ZINC000033039801 570678673 /nfs/dbraw/zinc/67/86/73/570678673.db2.gz RIROHXCCJLAVRH-HNNXBMFYSA-N 0 0 398.915 4.866 50 0 GJAARN COc1ccc2ccc(OCc3nc(C(=O)N(C)C4CCCCC4)co3)cc2c1 ZINC000012572396 570681239 /nfs/dbraw/zinc/68/12/39/570681239.db2.gz FPDDAAQAHKSDFP-UHFFFAOYSA-N 0 0 394.471 4.820 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000239274646 570682233 /nfs/dbraw/zinc/68/22/33/570682233.db2.gz AMPROBWNLJZHSM-GGAORHGYSA-N 0 0 390.870 5.591 50 0 GJAARN COc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)c1 ZINC000239309741 570682432 /nfs/dbraw/zinc/68/24/32/570682432.db2.gz HUVLGXCTVIMPTE-UYGSHGSRSA-N 0 0 384.472 4.867 50 0 GJAARN CC[C@H](C)NC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 ZINC000008854523 570683698 /nfs/dbraw/zinc/68/36/98/570683698.db2.gz HUODNWAFSSIFHS-NSHDSACASA-N 0 0 399.379 4.655 50 0 GJAARN O=C(Nc1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000239653715 570684028 /nfs/dbraw/zinc/68/40/28/570684028.db2.gz BKWMNFMQZWNLAE-QGZVFWFLSA-N 0 0 396.441 4.621 50 0 GJAARN O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012588911 570685947 /nfs/dbraw/zinc/68/59/47/570685947.db2.gz HTDIVYGQDLLFRX-INIZCTEOSA-N 0 0 391.389 4.529 50 0 GJAARN Cc1cccc(Cl)c1NC(=O)CSc1nccn1-c1cccc(F)c1 ZINC000155288560 570685984 /nfs/dbraw/zinc/68/59/84/570685984.db2.gz KLIWTLKMZYZSAW-UHFFFAOYSA-N 0 0 375.856 4.704 50 0 GJAARN CCOc1ccc(N(CC)C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)cc1 ZINC000241564198 570687078 /nfs/dbraw/zinc/68/70/78/570687078.db2.gz OSEAAQXFVVWARH-UHFFFAOYSA-N 0 0 398.503 5.010 50 0 GJAARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC(c2c[nH]cn2)CC1 ZINC000241720773 570687624 /nfs/dbraw/zinc/68/76/24/570687624.db2.gz QSBZIGYGCPTKLC-UHFFFAOYSA-N 0 0 397.866 4.662 50 0 GJAARN O=C(NCc1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccccc1 ZINC000012602677 570690270 /nfs/dbraw/zinc/69/02/70/570690270.db2.gz AGFNYMGTPGEBBI-UHFFFAOYSA-N 0 0 375.859 4.668 50 0 GJAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc(Cl)cc1 ZINC000012628367 570692470 /nfs/dbraw/zinc/69/24/70/570692470.db2.gz GMGWRGNSDGVJNG-CYBMUJFWSA-N 0 0 396.903 4.691 50 0 GJAARN COc1cccc(-n2c(-c3ccccc3)cnc2SCc2nc(C)no2)c1 ZINC000012630205 570692775 /nfs/dbraw/zinc/69/27/75/570692775.db2.gz FQTHRZZIHQEOJH-UHFFFAOYSA-N 0 0 378.457 4.532 50 0 GJAARN COc1ccc(-c2nc(CSc3nncn4c5ccoc5cc34)c(C)o2)cc1 ZINC000006893937 570693446 /nfs/dbraw/zinc/69/34/46/570693446.db2.gz XMCTXBXGIBRGIG-UHFFFAOYSA-N 0 0 392.440 4.740 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)c1 ZINC000006894466 570693668 /nfs/dbraw/zinc/69/36/68/570693668.db2.gz OLFMUYHSGJVBAW-UHFFFAOYSA-N 0 0 391.423 4.940 50 0 GJAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2ccc(C)cc2)c2cc3occc3n21 ZINC000006894250 570693813 /nfs/dbraw/zinc/69/38/13/570693813.db2.gz KAEMZAKOHPWVOG-SFHVURJKSA-N 0 0 394.500 4.856 50 0 GJAARN Cc1ccc(-c2ccc(SCC(=O)Nc3nc4ccccc4s3)nn2)cc1 ZINC000004356072 570694622 /nfs/dbraw/zinc/69/46/22/570694622.db2.gz DHAFQIMPFHKMKL-UHFFFAOYSA-N 0 0 392.509 4.793 50 0 GJAARN Cc1ccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)cc1Cl ZINC000004356377 570695005 /nfs/dbraw/zinc/69/50/05/570695005.db2.gz XZZMSFLBAVBSQK-UHFFFAOYSA-N 0 0 387.867 4.975 50 0 GJAARN Cc1ccc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000055447625 570695566 /nfs/dbraw/zinc/69/55/66/570695566.db2.gz MTCGSQUVBZQPHI-QHCPKHFHSA-N 0 0 383.499 4.501 50 0 GJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccco1 ZINC000055529210 570696064 /nfs/dbraw/zinc/69/60/64/570696064.db2.gz WSIICYYMFRCISJ-UHFFFAOYSA-N 0 0 395.890 4.508 50 0 GJAARN Cc1ccc2c(C[NH2+]C3CCCC3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000006901280 570697047 /nfs/dbraw/zinc/69/70/47/570697047.db2.gz MPEPKGPQYJZROF-UHFFFAOYSA-N 0 0 380.463 4.868 50 0 GJAARN COc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2F)cc1 ZINC000004357536 570697327 /nfs/dbraw/zinc/69/73/27/570697327.db2.gz DSCVDLDASUEMAP-UHFFFAOYSA-N 0 0 381.432 4.967 50 0 GJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)s1 ZINC000004358390 570698120 /nfs/dbraw/zinc/69/81/20/570698120.db2.gz ZGGQACKWPNAVJJ-UHFFFAOYSA-N 0 0 390.921 4.601 50 0 GJAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OC(C)(C)C)c1 ZINC000004358816 570698623 /nfs/dbraw/zinc/69/86/23/570698623.db2.gz DGTKZWGADVZBTP-UHFFFAOYSA-N 0 0 395.528 4.600 50 0 GJAARN COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000012706327 570700415 /nfs/dbraw/zinc/70/04/15/570700415.db2.gz CLBXALCPZRFTRU-GOSISDBHSA-N 0 0 385.891 4.646 50 0 GJAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000006918416 570704012 /nfs/dbraw/zinc/70/40/12/570704012.db2.gz VXZGBGLGXPKDIK-UHFFFAOYSA-N 0 0 392.480 4.639 50 0 GJAARN O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000246077384 570704248 /nfs/dbraw/zinc/70/42/48/570704248.db2.gz JXDAYTOYPPGWCQ-DFEOGRTESA-N 0 0 375.459 4.599 50 0 GJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCOc3ccccc32)s1 ZINC000006915382 570705742 /nfs/dbraw/zinc/70/57/42/570705742.db2.gz LBEVFEHWKVMFRO-UHFFFAOYSA-N 0 0 398.915 4.905 50 0 GJAARN CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(Br)cc1 ZINC000065118447 570705754 /nfs/dbraw/zinc/70/57/54/570705754.db2.gz BESJMWYFBNDKGX-UHFFFAOYSA-N 0 0 376.279 4.511 50 0 GJAARN CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc3nc(C)c(C)nc3c2)c1C ZINC000057996766 570706438 /nfs/dbraw/zinc/70/64/38/570706438.db2.gz OCBCPWNKJBNPRJ-UHFFFAOYSA-N 0 0 376.456 4.732 50 0 GJAARN Cc1cc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc(C)c1Cl ZINC000032622729 570707159 /nfs/dbraw/zinc/70/71/59/570707159.db2.gz FTFDZGRNYNMQMU-UHFFFAOYSA-N 0 0 392.242 4.678 50 0 GJAARN Cc1cccc(-c2noc(-c3ccc(=O)n(Cc4ccccc4Cl)c3)n2)c1 ZINC000065134442 570707258 /nfs/dbraw/zinc/70/72/58/570707258.db2.gz KHDFRGHVKLUIRN-UHFFFAOYSA-N 0 0 377.831 4.575 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)[C@H](OC[C@@H]3CCCO3)C(C)C)n2)cc1C ZINC000058014514 570707291 /nfs/dbraw/zinc/70/72/91/570707291.db2.gz AWHSEVQBKSHSTG-PKOBYXMFSA-N 0 0 388.533 4.586 50 0 GJAARN CCCOc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c2cccnc12 ZINC000032623488 570707574 /nfs/dbraw/zinc/70/75/74/570707574.db2.gz IIRDJJHHRANRPL-UHFFFAOYSA-N 0 0 388.423 4.691 50 0 GJAARN C[C@@H](SCc1nc(-c2ccsc2)no1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000025054118 570707821 /nfs/dbraw/zinc/70/78/21/570707821.db2.gz LOZKGQCWFSGUCC-GFCCVEGCSA-N 0 0 385.514 4.547 50 0 GJAARN CC(C)C(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000000679612 570708899 /nfs/dbraw/zinc/70/88/99/570708899.db2.gz OLAKOPSVOCXJLA-UHFFFAOYSA-N 0 0 395.684 4.949 50 0 GJAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4cc(F)ccc4F)C3)n2)cc1 ZINC000065135495 570709469 /nfs/dbraw/zinc/70/94/69/570709469.db2.gz SUCSTPOPIAZABN-QGZVFWFLSA-N 0 0 393.437 4.750 50 0 GJAARN COc1ccccc1CCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000058139499 570710361 /nfs/dbraw/zinc/71/03/61/570710361.db2.gz AVQQOSZKRGCBKH-GOSISDBHSA-N 0 0 392.524 4.945 50 0 GJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(F)cc1F ZINC000006932572 570710673 /nfs/dbraw/zinc/71/06/73/570710673.db2.gz PIMLKOKHFUEALE-UHFFFAOYSA-N 0 0 395.481 4.672 50 0 GJAARN Cc1nc(-c2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)n[nH]1 ZINC000058156970 570711300 /nfs/dbraw/zinc/71/13/00/570711300.db2.gz JCHFFSVSJYMTQE-UHFFFAOYSA-N 0 0 375.259 4.658 50 0 GJAARN Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1C(F)(F)F ZINC000006939272 570712812 /nfs/dbraw/zinc/71/28/12/570712812.db2.gz ROFKIBZYEHKYKN-HNNXBMFYSA-N 0 0 377.391 4.550 50 0 GJAARN O=C(NCCc1cccc(F)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000012788206 570712943 /nfs/dbraw/zinc/71/29/43/570712943.db2.gz RPWTXVQXELAUKW-UHFFFAOYSA-N 0 0 399.469 4.710 50 0 GJAARN Cc1c(C(=O)N2CCCCC2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006940679 570713696 /nfs/dbraw/zinc/71/36/96/570713696.db2.gz GCEPMLINSGVGHQ-MRXNPFEDSA-N 0 0 383.488 4.886 50 0 biogenic GJAARN O=C(NCCc1ccccc1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000006935751 570714211 /nfs/dbraw/zinc/71/42/11/570714211.db2.gz AKOXTPHDTJKPBG-UHFFFAOYSA-N 0 0 393.918 4.902 50 0 GJAARN O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)o1 ZINC000001098755 570714585 /nfs/dbraw/zinc/71/45/85/570714585.db2.gz MDZMOBDNFOGMDZ-UHFFFAOYSA-N 0 0 391.246 4.608 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012793079 570714855 /nfs/dbraw/zinc/71/48/55/570714855.db2.gz KUDWUQRXASCUMA-QAPCUYQASA-N 0 0 396.512 4.687 50 0 GJAARN COc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc(OC)c1OC ZINC000006945506 570716256 /nfs/dbraw/zinc/71/62/56/570716256.db2.gz RGUDJMYSJJBTEI-UHFFFAOYSA-N 0 0 395.839 4.972 50 0 GJAARN COc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000012800816 570717437 /nfs/dbraw/zinc/71/74/37/570717437.db2.gz UXDGCIPBXRUWLO-INIZCTEOSA-N 0 0 386.300 4.528 50 0 GJAARN CCCn1c(C)cc(-c2csc(NC(=O)COc3ccccc3F)n2)c1C ZINC000006947960 570718230 /nfs/dbraw/zinc/71/82/30/570718230.db2.gz GFSXNSBIUHXSDS-UHFFFAOYSA-N 0 0 387.480 4.795 50 0 GJAARN COc1cccc(Nc2c3ccccc3ncc2S(=O)(=O)c2ccccc2)c1 ZINC000004372175 570719122 /nfs/dbraw/zinc/71/91/22/570719122.db2.gz DLCWPKMWPLYSMK-UHFFFAOYSA-N 0 0 390.464 4.820 50 0 GJAARN CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1Cl ZINC000041076941 570719469 /nfs/dbraw/zinc/71/94/69/570719469.db2.gz CGWNUAQIKOZOMB-UHFFFAOYSA-N 0 0 383.879 4.852 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)c1nc2ccccc2nc1N1CCCC1 ZINC000032642819 570720418 /nfs/dbraw/zinc/72/04/18/570720418.db2.gz DRFTZHVWNHZGTL-UHFFFAOYSA-N 0 0 386.377 4.501 50 0 GJAARN O=C(c1ccc(Cl)s1)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180422 570721983 /nfs/dbraw/zinc/72/19/83/570721983.db2.gz GFCZGDYEWHRKAJ-UHFFFAOYSA-N 0 0 381.900 5.000 50 0 GJAARN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)n1 ZINC000058245008 570722690 /nfs/dbraw/zinc/72/26/90/570722690.db2.gz XOEORMRQABQIKL-UHFFFAOYSA-N 0 0 397.500 4.540 50 0 GJAARN COc1ccc(NC(=O)c2sc(Nc3cccc(C)c3)nc2C)c(OC)c1 ZINC000065184610 570722949 /nfs/dbraw/zinc/72/29/49/570722949.db2.gz UILQWLMOJKFZTM-UHFFFAOYSA-N 0 0 383.473 4.773 50 0 GJAARN COc1ccc(NC(=O)c2sc(Nc3cccc(C)c3)nc2C)cc1OC ZINC000065184612 570723129 /nfs/dbraw/zinc/72/31/29/570723129.db2.gz GDTSBUNMRNPGEE-UHFFFAOYSA-N 0 0 383.473 4.773 50 0 GJAARN O=C(NCc1ccco1)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1 ZINC000065178262 570724008 /nfs/dbraw/zinc/72/40/08/570724008.db2.gz KGRKUHJDQPWYIN-UHFFFAOYSA-N 0 0 375.472 4.652 50 0 GJAARN CC(=O)NCCc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C ZINC000004385683 570726170 /nfs/dbraw/zinc/72/61/70/570726170.db2.gz JUFHBNXSOUVUOI-UHFFFAOYSA-N 0 0 393.531 4.616 50 0 GJAARN O=C(OCc1cn2ccccc2n1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005666070 570726818 /nfs/dbraw/zinc/72/68/18/570726818.db2.gz QQSADLONDPOJCF-UHFFFAOYSA-N 0 0 390.826 4.576 50 0 GJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000004386049 570727088 /nfs/dbraw/zinc/72/70/88/570727088.db2.gz FJNGSZZWNRFJMQ-SFHVURJKSA-N 0 0 391.515 4.538 50 0 GJAARN O=C(COc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)N1CCCCC1 ZINC000000937404 570727812 /nfs/dbraw/zinc/72/78/12/570727812.db2.gz FRPQNQGXNWJAAJ-UHFFFAOYSA-N 0 0 397.858 4.505 50 0 GJAARN COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(Cl)c3)s2)cc1 ZINC000004392463 570728649 /nfs/dbraw/zinc/72/86/49/570728649.db2.gz TXDVFRDRDJNRMC-UHFFFAOYSA-N 0 0 386.904 4.753 50 0 GJAARN O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)[C@H]1COc2ccccc2C1 ZINC000012938254 570730607 /nfs/dbraw/zinc/73/06/07/570730607.db2.gz BRTVPWGUDXTPGA-CQSZACIVSA-N 0 0 392.436 4.853 50 0 GJAARN CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000942780 570732680 /nfs/dbraw/zinc/73/26/80/570732680.db2.gz YCIPBJPJBSDMNB-CYBMUJFWSA-N 0 0 386.831 4.832 50 0 GJAARN COc1cccc(-c2nc(C(=O)N3CCSc4ccccc43)cs2)c1OC ZINC000012974022 570734123 /nfs/dbraw/zinc/73/41/23/570734123.db2.gz MWGASAUQCRNSBN-UHFFFAOYSA-N 0 0 398.509 4.580 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219037 570735298 /nfs/dbraw/zinc/73/52/98/570735298.db2.gz FJVDVITWVXKGAW-UHFFFAOYSA-N 0 0 397.406 4.925 50 0 GJAARN CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012977777 570735522 /nfs/dbraw/zinc/73/55/22/570735522.db2.gz ZFLPPLFNINKGNB-VBSWXYJSSA-N 0 0 394.559 4.956 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCc3cccc(C)c3)c12 ZINC000007004033 570735765 /nfs/dbraw/zinc/73/57/65/570735765.db2.gz GKVZYOCRJHVQTB-UHFFFAOYSA-N 0 0 384.483 4.584 50 0 GJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)N[C@H]3CCCc4ccccc43)c2)c1C ZINC000007005192 570736064 /nfs/dbraw/zinc/73/60/64/570736064.db2.gz MVAJWTLLHZIZTK-FQEVSTJZSA-N 0 0 396.512 4.623 50 0 GJAARN O=S(=O)(c1nc(-c2ccccc2F)oc1NCc1ccco1)c1ccccc1 ZINC000007002850 570737451 /nfs/dbraw/zinc/73/74/51/570737451.db2.gz RDEAPXUEUYCKKP-UHFFFAOYSA-N 0 0 398.415 4.519 50 0 GJAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccnc1 ZINC000059324934 570737922 /nfs/dbraw/zinc/73/79/22/570737922.db2.gz NQECPEWBDKEMKM-KBPBESRZSA-N 0 0 387.940 4.792 50 0 GJAARN COc1ccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000000956098 570737958 /nfs/dbraw/zinc/73/79/58/570737958.db2.gz RVNSCGQMUFBSAI-UHFFFAOYSA-N 0 0 399.487 4.746 50 0 GJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)nc1C ZINC000000957069 570738309 /nfs/dbraw/zinc/73/83/09/570738309.db2.gz YQIQOKMNXABQCJ-BQYQJAHWSA-N 0 0 385.272 4.587 50 0 GJAARN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1ccc(Cl)cc1 ZINC000033055291 570740835 /nfs/dbraw/zinc/74/08/35/570740835.db2.gz HCCXIFGPEYFABP-ZROIWOOFSA-N 0 0 375.858 4.888 50 0 GJAARN Cc1ccc(NC(=O)CN(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000000976619 570741636 /nfs/dbraw/zinc/74/16/36/570741636.db2.gz MBQCJNCFFYRVEC-UHFFFAOYSA-N 0 0 378.859 4.934 50 0 GJAARN COc1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(OC)c1 ZINC000000977021 570742066 /nfs/dbraw/zinc/74/20/66/570742066.db2.gz KRRVDKRZDOAHHM-UHFFFAOYSA-N 0 0 393.468 4.610 50 0 GJAARN CC(=O)N(c1ccc2ccccc2c1)[C@H]1SC(=O)N(c2cccc(C)c2)C1=O ZINC000000998206 570744096 /nfs/dbraw/zinc/74/40/96/570744096.db2.gz RGBRHXYXKLYWIF-NRFANRHFSA-N 0 0 390.464 4.727 50 0 GJAARN C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000013063306 570744789 /nfs/dbraw/zinc/74/47/89/570744789.db2.gz SXZJEAIOYBAHNL-JTQLQIEISA-N 0 0 385.664 4.531 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000021788049 570745023 /nfs/dbraw/zinc/74/50/23/570745023.db2.gz FTLZTZSIBQUZMA-INIZCTEOSA-N 0 0 375.906 4.670 50 0 GJAARN Cn1c(=S)n(CN2CCC[C@H]3CCCC[C@@H]32)nc1-c1ccc(Cl)cc1 ZINC000013071822 570745091 /nfs/dbraw/zinc/74/50/91/570745091.db2.gz MAARNTFVOZJWMX-PBHICJAKSA-N 0 0 376.957 4.884 50 0 GJAARN Cc1cc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)no2)ccc1F ZINC000021787891 570745182 /nfs/dbraw/zinc/74/51/82/570745182.db2.gz RBAJSLDZJRABMX-UHFFFAOYSA-N 0 0 380.375 4.818 50 0 GJAARN C[C@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1cccc2ccccc21 ZINC000032698912 570745619 /nfs/dbraw/zinc/74/56/19/570745619.db2.gz JQIMUUURFWRSPU-SFHVURJKSA-N 0 0 386.495 4.843 50 0 GJAARN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(Br)cc1F ZINC000014729931 570745699 /nfs/dbraw/zinc/74/56/99/570745699.db2.gz JZHHLJVQDJFRCY-UHFFFAOYSA-N 0 0 393.039 4.913 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000013146034 570748849 /nfs/dbraw/zinc/74/88/49/570748849.db2.gz DKRVHEXDQWCTQM-MQVJKMGUSA-N 0 0 381.994 4.959 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Sc1ccccc1Cl ZINC000013140792 570749025 /nfs/dbraw/zinc/74/90/25/570749025.db2.gz ONYAMWXNQVBQFB-UHFFFAOYSA-N 0 0 384.844 4.867 50 0 GJAARN Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)[nH]c2c1 ZINC000033063724 570749106 /nfs/dbraw/zinc/74/91/06/570749106.db2.gz FYKYGAFQYJSIFB-UHFFFAOYSA-N 0 0 386.904 4.670 50 0 GJAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(F)cc3F)c12 ZINC000036616803 570753417 /nfs/dbraw/zinc/75/34/17/570753417.db2.gz WFMSTLJEGCHWMP-UHFFFAOYSA-N 0 0 392.409 4.627 50 0 GJAARN CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000206852209 570753595 /nfs/dbraw/zinc/75/35/95/570753595.db2.gz UXGJYMZFMXOOLQ-QGZVFWFLSA-N 0 0 385.813 4.795 50 0 GJAARN CCc1c(C)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(N)=O ZINC000001114999 570754289 /nfs/dbraw/zinc/75/42/89/570754289.db2.gz VJUWJSOQEKPEDA-UHFFFAOYSA-N 0 0 378.906 4.838 50 0 GJAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c21 ZINC000036617444 570755665 /nfs/dbraw/zinc/75/56/65/570755665.db2.gz JRBOHSAHEZVEDD-INIZCTEOSA-N 0 0 379.460 4.612 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccc(Cl)c1 ZINC000007036837 570757122 /nfs/dbraw/zinc/75/71/22/570757122.db2.gz BPBFPDKZDWECRM-UHFFFAOYSA-N 0 0 383.860 4.601 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000064984203 570757276 /nfs/dbraw/zinc/75/72/76/570757276.db2.gz NODOFZKIWWLQOC-LJQANCHMSA-N 0 0 393.936 4.963 50 0 GJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000064984225 570757435 /nfs/dbraw/zinc/75/74/35/570757435.db2.gz LYWYKJSJSHAIDC-LJQANCHMSA-N 0 0 379.909 4.655 50 0 GJAARN Cc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc43)n2)cc1C ZINC000064949570 570757442 /nfs/dbraw/zinc/75/74/42/570757442.db2.gz BYFBDRRWUFQUMH-UHFFFAOYSA-N 0 0 394.434 4.720 50 0 GJAARN COc1ccccc1OCCSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000007342029 570757754 /nfs/dbraw/zinc/75/77/54/570757754.db2.gz ATYLKLVPZSUJCB-UHFFFAOYSA-N 0 0 396.299 4.958 50 0 GJAARN N=c1oc2ccc(Br)cc2cc1C(=O)Nc1ccccc1Cl ZINC000004426750 570760054 /nfs/dbraw/zinc/76/00/54/570760054.db2.gz LDTZIMZDSJQWJF-UHFFFAOYSA-N 0 0 377.625 4.580 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C)cc1F ZINC000065258407 570760063 /nfs/dbraw/zinc/76/00/63/570760063.db2.gz KHCVIBPMEFLYLH-UHFFFAOYSA-N 0 0 393.443 4.523 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)Sc2ncccc2C(=O)N3C)c(C)c1 ZINC000065258387 570760090 /nfs/dbraw/zinc/76/00/90/570760090.db2.gz AUVBYLCZWBYSJZ-UHFFFAOYSA-N 0 0 389.480 4.692 50 0 GJAARN CC(C)N1c2ccc(NC(=O)C3CCCC3)cc2Sc2ncccc2C1=O ZINC000065258596 570760640 /nfs/dbraw/zinc/76/06/40/570760640.db2.gz WIYSSEFDEFJAEQ-UHFFFAOYSA-N 0 0 381.501 4.730 50 0 GJAARN CCc1ccc(-c2c(-c3ccccc3)ncn2[C@@H](COC)c2ccccn2)nc1 ZINC000065372248 570762086 /nfs/dbraw/zinc/76/20/86/570762086.db2.gz HJCDVAPOZSQVFH-QFIPXVFZSA-N 0 0 384.483 4.805 50 0 GJAARN O=C(NNc1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000084502088 570762324 /nfs/dbraw/zinc/76/23/24/570762324.db2.gz OGHJRAHWHRPKDN-KGLIPLIRSA-N 0 0 399.210 4.715 50 0 GJAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccccc1Cl ZINC000036620890 570765162 /nfs/dbraw/zinc/76/51/62/570765162.db2.gz KTICXOWWLBVSFK-FQEVSTJZSA-N 0 0 375.921 4.745 50 0 GJAARN CC(C)c1cccc2c(O)c(C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)cnc21 ZINC000524732179 570766849 /nfs/dbraw/zinc/76/68/49/570766849.db2.gz BUSDSPVGPIBYJV-OAQYLSRUSA-N 0 0 399.494 4.940 50 0 biogenic GJAARN CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032722389 570768578 /nfs/dbraw/zinc/76/85/78/570768578.db2.gz JYSOCZIVZYNRTK-CBZJRKILSA-N 0 0 377.509 4.972 50 0 GJAARN CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032722392 570768693 /nfs/dbraw/zinc/76/86/93/570768693.db2.gz JYSOCZIVZYNRTK-XGCWNURASA-N 0 0 377.509 4.972 50 0 GJAARN CC(=O)N1N=C(c2cccnc2)O[C@@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941419 570773495 /nfs/dbraw/zinc/77/34/95/570773495.db2.gz XMBZYMMFJJYPGF-XMMPIXPASA-N 0 0 394.434 4.536 50 0 GJAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccncc2)cc1C ZINC000013711939 570778049 /nfs/dbraw/zinc/77/80/49/570778049.db2.gz DWFBCWKKZXFOIV-UHFFFAOYSA-N 0 0 397.478 4.695 50 0 GJAARN O=C(Nc1ccccc1)c1ccc(COc2cccc(N3CCCC3=O)c2)cc1 ZINC000007064666 570782833 /nfs/dbraw/zinc/78/28/33/570782833.db2.gz LORKHZVUDSCJJS-UHFFFAOYSA-N 0 0 386.451 4.645 50 0 GJAARN Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(C)n1-c1ccnn1C(C)C ZINC000007088386 570783970 /nfs/dbraw/zinc/78/39/70/570783970.db2.gz TYFSXCFXUNUANQ-JOCHJYFZSA-N 0 0 389.503 4.600 50 0 GJAARN COC(=O)c1c(C)c2ccccc2nc1CSc1nnc(-c2ccoc2C)o1 ZINC000007086661 570784052 /nfs/dbraw/zinc/78/40/52/570784052.db2.gz BAUPIKOGXFQWLP-UHFFFAOYSA-N 0 0 395.440 4.574 50 0 GJAARN CC(C)n1ccnc1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067642665 570784262 /nfs/dbraw/zinc/78/42/62/570784262.db2.gz IVZKAMMMSXFFDC-UHFFFAOYSA-N 0 0 397.906 4.885 50 0 GJAARN c1nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)oc1-c1ccccc1 ZINC000007089162 570784561 /nfs/dbraw/zinc/78/45/61/570784561.db2.gz GBBOINCGZBPYKZ-QGZVFWFLSA-N 0 0 393.424 4.529 50 0 GJAARN CN(C)C(=O)[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)c1ccccc1 ZINC000007074042 570784958 /nfs/dbraw/zinc/78/49/58/570784958.db2.gz BEILGXRUNPEQQQ-HNNXBMFYSA-N 0 0 391.418 4.570 50 0 GJAARN CNc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000007102865 570788638 /nfs/dbraw/zinc/78/86/38/570788638.db2.gz FLBIHQXFWOPDFR-UHFFFAOYSA-N 0 0 379.514 4.725 50 0 GJAARN CCc1nc(C)c(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)[nH]1 ZINC000067756334 570789750 /nfs/dbraw/zinc/78/97/50/570789750.db2.gz GTQSBPSEXGNNFO-UHFFFAOYSA-N 0 0 397.906 4.701 50 0 GJAARN C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cncn2)cc1 ZINC000032738421 570789861 /nfs/dbraw/zinc/78/98/61/570789861.db2.gz FZBDMVJHEIHDDI-INIZCTEOSA-N 0 0 394.906 4.610 50 0 GJAARN Cc1ccsc1[C@@H]1CCN(Cc2nc(-c3ccccc3C)oc2C)C[C@H]1O ZINC000067785966 570791087 /nfs/dbraw/zinc/79/10/87/570791087.db2.gz BDFXHIPOYVIFQX-UYAOXDASSA-N 0 0 382.529 4.679 50 0 GJAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000036694833 570791623 /nfs/dbraw/zinc/79/16/23/570791623.db2.gz UMQHOVOUPFYHKG-UHFFFAOYSA-N 0 0 391.492 4.919 50 0 GJAARN 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/nfs/dbraw/zinc/88/39/20/570883920.db2.gz DIGLOEAWRWFTHK-JOCHJYFZSA-N 0 0 388.467 4.613 50 0 GJAARN Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000170631699 570885052 /nfs/dbraw/zinc/88/50/52/570885052.db2.gz CJCSTTPJIXATKB-IRLDBZIGSA-N 0 0 392.455 4.585 50 0 GJAARN Cn1c2ccccc2nc1SCC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000009909544 570887010 /nfs/dbraw/zinc/88/70/10/570887010.db2.gz XUCYBIZUMDTTRT-UHFFFAOYSA-N 0 0 381.501 4.745 50 0 GJAARN CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000032899117 570887583 /nfs/dbraw/zinc/88/75/83/570887583.db2.gz GHZFFRFNVBCREF-CYBMUJFWSA-N 0 0 386.498 4.805 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2cccc(Oc3ncccn3)c2)S1 ZINC000071286162 570888440 /nfs/dbraw/zinc/88/84/40/570888440.db2.gz NHJPYXVTPZPVDL-INIZCTEOSA-N 0 0 381.461 4.638 50 0 GJAARN Cc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccnc2)cc1F ZINC000033267727 570889651 /nfs/dbraw/zinc/88/96/51/570889651.db2.gz OQCPDGSRVOQWEE-IBGZPJMESA-N 0 0 388.446 4.964 50 0 GJAARN Cc1ccc(-c2ccsc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000010220132 570892273 /nfs/dbraw/zinc/89/22/73/570892273.db2.gz DIJLVRSWDWXQKF-LJQANCHMSA-N 0 0 380.513 4.883 50 0 GJAARN O=C(CCc1ccccc1O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042759938 570893264 /nfs/dbraw/zinc/89/32/64/570893264.db2.gz FXAXQBPOIMDNQY-UHFFFAOYSA-N 0 0 384.863 4.526 50 0 GJAARN COCc1ccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000023047811 570893880 /nfs/dbraw/zinc/89/38/80/570893880.db2.gz RSWIDHODRNKQTB-UHFFFAOYSA-N 0 0 383.488 4.875 50 0 GJAARN COc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(OC)cc1Cl ZINC000046729297 570899431 /nfs/dbraw/zinc/89/94/31/570899431.db2.gz MLZJPYFFCRHMAU-UHFFFAOYSA-N 0 0 392.242 4.653 50 0 GJAARN Cc1ccc2nc(COc3ccc(C(=O)N(C)Cc4ccsc4)cc3)cn2c1 ZINC000032903912 570901035 /nfs/dbraw/zinc/90/10/35/570901035.db2.gz RUVMJIAUZVYWNG-UHFFFAOYSA-N 0 0 391.496 4.555 50 0 GJAARN CCC[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000013746140 570901057 /nfs/dbraw/zinc/90/10/57/570901057.db2.gz JOHUICMYEVLCTE-LZGZYFLISA-N 0 0 384.520 4.980 50 0 GJAARN O=C(Cc1ccc2ccccc2c1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000013972953 570902899 /nfs/dbraw/zinc/90/28/99/570902899.db2.gz JJJIRQAUZWOOQK-UHFFFAOYSA-N 0 0 388.448 4.873 50 0 GJAARN Cc1cc2sc(N)nc2cc1-c1cccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000534581874 570902934 /nfs/dbraw/zinc/90/29/34/570902934.db2.gz JCDSJEKPTJSHIS-HDICACEKSA-N 0 0 389.524 4.722 50 0 GJAARN O=S(=O)(NCCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl ZINC000004578125 570905512 /nfs/dbraw/zinc/90/55/12/570905512.db2.gz SKCQQJVHBHQUFS-UHFFFAOYSA-N 0 0 388.360 4.878 50 0 GJAARN Cc1noc2nc(C)cc(C(=O)Nc3cccc(C4SCCCS4)c3)c12 ZINC000014525108 570906022 /nfs/dbraw/zinc/90/60/22/570906022.db2.gz VTKUTGUTRATKMQ-UHFFFAOYSA-N 0 0 385.514 4.961 50 0 GJAARN CCOc1ccc(-n2c3ccccc3nc2S[C@H](C)c2nc(C)no2)cc1 ZINC000032905975 570906668 /nfs/dbraw/zinc/90/66/68/570906668.db2.gz NUBGNOICBHGQHC-CYBMUJFWSA-N 0 0 380.473 4.969 50 0 GJAARN Cc1ccc(C)c(-c2nn(C[C@H](O)c3ccc(F)cc3)c(=O)c3ccccc32)c1 ZINC000032907288 570907245 /nfs/dbraw/zinc/90/72/45/570907245.db2.gz GGCREJYNYJFLOP-QFIPXVFZSA-N 0 0 388.442 4.553 50 0 GJAARN O=C1c2ccccc2C(=O)N1CCSCc1coc(-c2ccc(Cl)cc2)n1 ZINC000032909387 570911088 /nfs/dbraw/zinc/91/10/88/570911088.db2.gz OYOCWPHRKUVPNW-UHFFFAOYSA-N 0 0 398.871 4.524 50 0 GJAARN O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1cccs1 ZINC000016850107 570914964 /nfs/dbraw/zinc/91/49/64/570914964.db2.gz NHBFGVYEHICDJK-UHFFFAOYSA-N 0 0 397.447 4.826 50 0 GJAARN O=S(=O)(c1ccc(N[C@H](c2ccccc2)c2ccccn2)cc1)C(F)(F)F ZINC000089827647 570916330 /nfs/dbraw/zinc/91/63/30/570916330.db2.gz UAVLRTPTIZCQCT-GOSISDBHSA-N 0 0 392.402 4.577 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1O ZINC000263586179 570918105 /nfs/dbraw/zinc/91/81/05/570918105.db2.gz QXFQTVMULLQMBI-SFHVURJKSA-N 0 0 398.462 4.878 50 0 biogenic GJAARN C[C@@H](NC(=O)CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000089905537 570919068 /nfs/dbraw/zinc/91/90/68/570919068.db2.gz OVPSVLAJFOJCIS-KGLIPLIRSA-N 0 0 393.314 4.828 50 0 GJAARN COc1ccc(-c2cccc(C(=O)N3CCC4(CCCC4)C3)c2)cc1C(C)=O ZINC000534672963 570921148 /nfs/dbraw/zinc/92/11/48/570921148.db2.gz NCKRXJWDUWGIEI-UHFFFAOYSA-N 0 0 377.484 4.971 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000004585468 570921457 /nfs/dbraw/zinc/92/14/57/570921457.db2.gz UVHKXHCBDDGUEY-UHFFFAOYSA-N 0 0 397.478 4.656 50 0 GJAARN O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H]1CCSc2c(F)cccc21 ZINC000016300686 570921908 /nfs/dbraw/zinc/92/19/08/570921908.db2.gz XVDCZJXOEKCJTC-IBGZPJMESA-N 0 0 381.472 4.956 50 0 GJAARN O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C\c1coc2ccccc2c1=O ZINC000004588809 570923509 /nfs/dbraw/zinc/92/35/09/570923509.db2.gz VNAPSQLMZNLFHB-STZFKDTASA-N 0 0 393.398 4.805 50 0 biogenic GJAARN Cc1cccc(Cn2cc(SCC(=O)NCc3ccco3)c3ccccc32)c1 ZINC000004059686 570926788 /nfs/dbraw/zinc/92/67/88/570926788.db2.gz GUBHYSKUXOZPBL-UHFFFAOYSA-N 0 0 390.508 5.000 50 0 GJAARN O=[S@](Cc1cc(N2CCCC2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000004060061 570926809 /nfs/dbraw/zinc/92/68/09/570926809.db2.gz IBXXFWUXBFEXJI-MHZLTWQESA-N 0 0 397.931 4.705 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000004072412 570929480 /nfs/dbraw/zinc/92/94/80/570929480.db2.gz DLHAOSIVJHCDPM-UHFFFAOYSA-N 0 0 398.246 4.669 50 0 GJAARN O=C(c1cnc(NCCc2cc3ccccc3o2)c(Cl)c1)N1CCCCC1 ZINC000170635480 570930462 /nfs/dbraw/zinc/93/04/62/570930462.db2.gz ICAACOMBJXPEQI-UHFFFAOYSA-N 0 0 383.879 4.762 50 0 GJAARN CC(C)(C)c1ccc(OC[C@@H](O)CNc2ccc(Br)cc2)cc1 ZINC000001059970 570930802 /nfs/dbraw/zinc/93/08/02/570930802.db2.gz GTNDEBJWPUSYOK-KRWDZBQOSA-N 0 0 378.310 4.598 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000004079032 570931201 /nfs/dbraw/zinc/93/12/01/570931201.db2.gz ZJHJEZBBGQQPQM-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000004854447 570932684 /nfs/dbraw/zinc/93/26/84/570932684.db2.gz SRFRKKQLYQBEAW-IBGZPJMESA-N 0 0 389.352 4.682 50 0 GJAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000004854466 570932709 /nfs/dbraw/zinc/93/27/09/570932709.db2.gz YZZSZSAMDXJORL-FQEVSTJZSA-N 0 0 381.863 4.787 50 0 GJAARN Cc1c(NC(=O)Nc2ccccc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000002871297 570933749 /nfs/dbraw/zinc/93/37/49/570933749.db2.gz WJVXVTNPRIELIN-UHFFFAOYSA-N 0 0 398.466 4.795 50 0 GJAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000106028028 570934141 /nfs/dbraw/zinc/93/41/41/570934141.db2.gz GFISXTLQLXURPB-XQQFMLRXSA-N 0 0 397.466 4.634 50 0 GJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000046913378 570935515 /nfs/dbraw/zinc/93/55/15/570935515.db2.gz WFQFDVXNCIXOSW-UHFFFAOYSA-N 0 0 399.498 4.845 50 0 GJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccc(C)cc2C)cc1 ZINC000046913416 570936020 /nfs/dbraw/zinc/93/60/20/570936020.db2.gz LAOUSFVXAFPSOY-UHFFFAOYSA-N 0 0 399.498 4.845 50 0 GJAARN Cc1c(C(=O)OCc2cccc(C(F)(F)F)c2)nnn1-c1cc(C)cc(C)c1 ZINC000046914125 570936476 /nfs/dbraw/zinc/93/64/76/570936476.db2.gz USDRLTMJDADLPN-UHFFFAOYSA-N 0 0 389.377 4.568 50 0 GJAARN Cc1cccc(-c2noc(-c3cc(-c4cccc(Br)c4)[nH]n3)n2)c1 ZINC000046914113 570936535 /nfs/dbraw/zinc/93/65/35/570936535.db2.gz NRGRMVIVCWPEPD-UHFFFAOYSA-N 0 0 381.233 4.865 50 0 GJAARN COc1cc(-c2noc(-c3cc(-c4ccccc4C)[nH]n3)n2)ccc1OC(C)C ZINC000046914450 570937002 /nfs/dbraw/zinc/93/70/02/570937002.db2.gz JPCMQLHQUFDUJS-UHFFFAOYSA-N 0 0 390.443 4.898 50 0 GJAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O ZINC000002094047 570940799 /nfs/dbraw/zinc/94/07/99/570940799.db2.gz FZXIFRLPTYRAGO-UHFFFAOYSA-N 0 0 394.467 4.693 50 0 biogenic GJAARN Cc1nc2cccnc2n1-c1cc(C(=O)Nc2ccc(F)cc2F)ccc1Cl ZINC000032932142 570946727 /nfs/dbraw/zinc/94/67/27/570946727.db2.gz STDJYXFWUYEDND-UHFFFAOYSA-N 0 0 398.800 4.913 50 0 GJAARN CC(C)Sc1ncccc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000032933523 570947181 /nfs/dbraw/zinc/94/71/81/570947181.db2.gz HNCYDGWSGSHHPH-UHFFFAOYSA-N 0 0 389.908 4.615 50 0 GJAARN O=C(/C=C/c1ccc(F)cc1)OC(COc1ccccc1)COc1ccccc1 ZINC000002631266 570949145 /nfs/dbraw/zinc/94/91/45/570949145.db2.gz YZTWUSJOYBYRIY-DTQAZKPQSA-N 0 0 392.426 4.909 50 0 GJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000033275949 570950683 /nfs/dbraw/zinc/95/06/83/570950683.db2.gz CJKFNLSJMPHACT-UHFFFAOYSA-N 0 0 383.521 4.521 50 0 GJAARN Cc1oc(-c2ccc(C)cc2C)nc1Cn1cnc2c3ccccc3oc2c1=O ZINC000033277257 570952059 /nfs/dbraw/zinc/95/20/59/570952059.db2.gz YYEOQACXGMPQON-UHFFFAOYSA-N 0 0 385.423 4.771 50 0 GJAARN Cc1ccc(C2=NN(C(=O)CSc3ccc(O)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000071942975 570952245 /nfs/dbraw/zinc/95/22/45/570952245.db2.gz MYVLXPXPLWLLBB-HXUWFJFHSA-N 0 0 392.480 4.764 50 0 GJAARN CCOC1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)CC1 ZINC000194338772 570954868 /nfs/dbraw/zinc/95/48/68/570954868.db2.gz UYPCLYXUVULAHJ-UHFFFAOYSA-N 0 0 384.524 4.511 50 0 GJAARN COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000004741073 570955659 /nfs/dbraw/zinc/95/56/59/570955659.db2.gz SUYFVENBPUZLJP-UHFFFAOYSA-N 0 0 396.874 4.978 50 0 GJAARN CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 ZINC000012062909 570957719 /nfs/dbraw/zinc/95/77/19/570957719.db2.gz OTSCWTFYRXGLNL-NRFANRHFSA-N 0 0 391.467 4.845 50 0 GJAARN O=C(/C=C/c1ccc(F)cc1)Oc1cc(=O)n(-c2ccccc2)c2ccccc12 ZINC000003414784 570958658 /nfs/dbraw/zinc/95/86/58/570958658.db2.gz ZMVWZRUDUMNAPX-NTCAYCPXSA-N 0 0 385.394 4.749 50 0 GJAARN CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C(=O)OC)c3ccccc3)c12 ZINC000004747480 570958986 /nfs/dbraw/zinc/95/89/86/570958986.db2.gz JTRKEVHREKROPX-QFIPXVFZSA-N 0 0 380.440 4.737 50 0 GJAARN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000252457166 570959319 /nfs/dbraw/zinc/95/93/19/570959319.db2.gz ILIQCPUJGFTWBR-CEXWTWQISA-N 0 0 387.524 4.531 50 0 GJAARN FC(F)Oc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004134959 570962026 /nfs/dbraw/zinc/96/20/26/570962026.db2.gz DNRASMQDJCNSKT-UHFFFAOYSA-N 0 0 376.472 4.940 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)Cc3ccc(C)c(C)c3)cc2s1 ZINC000033298872 570963021 /nfs/dbraw/zinc/96/30/21/570963021.db2.gz PVHBJNSUQQEYKQ-UHFFFAOYSA-N 0 0 392.571 4.967 50 0 GJAARN COC(=O)Nc1ccc(NC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000047584011 570965491 /nfs/dbraw/zinc/96/54/91/570965491.db2.gz MUPMTMISLKTMPB-UHFFFAOYSA-N 0 0 379.416 4.692 50 0 GJAARN COc1ccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)c(C)c1 ZINC000033300997 570965805 /nfs/dbraw/zinc/96/58/05/570965805.db2.gz ZQJUMSRDTAKUBK-UHFFFAOYSA-N 0 0 387.530 4.917 50 0 GJAARN CCCO[C@@H]1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000012702668 570966354 /nfs/dbraw/zinc/96/63/54/570966354.db2.gz GRKGKRSLNPKADM-HXUWFJFHSA-N 0 0 383.536 4.629 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3C)c(C)s2)cs1 ZINC000033308404 570968069 /nfs/dbraw/zinc/96/80/69/570968069.db2.gz BDTDDFSZZCYTNP-UHFFFAOYSA-N 0 0 378.544 4.906 50 0 GJAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(F)cc1F ZINC000012226397 570969084 /nfs/dbraw/zinc/96/90/84/570969084.db2.gz UQAQEHINYPAARJ-UHFFFAOYSA-N 0 0 384.304 4.584 50 0 GJAARN O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 ZINC000004167067 570970450 /nfs/dbraw/zinc/97/04/50/570970450.db2.gz MCSBJSZUGAFBAM-UHFFFAOYSA-N 0 0 376.403 4.801 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)c1cccc(-c2nccnc2N2CCCC2)c1 ZINC000033312991 570972135 /nfs/dbraw/zinc/97/21/35/570972135.db2.gz BEFGISBLCBKEHO-UHFFFAOYSA-N 0 0 392.890 4.958 50 0 GJAARN CO[C@H](C)c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 ZINC000107158169 570972241 /nfs/dbraw/zinc/97/22/41/570972241.db2.gz XROFCGQMCBLDGT-HVETUWLQSA-N 0 0 390.487 4.641 50 0 GJAARN CC1=Nc2nc3ccccc3n2[C@@H](c2cccnc2)C1C(=O)OC1CCCCC1 ZINC000004767922 570972699 /nfs/dbraw/zinc/97/26/99/570972699.db2.gz UVEVWKAJDVDIRV-NRFANRHFSA-N 0 0 388.471 4.596 50 0 GJAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccccc4)c(C)c3cc2c1C ZINC000002151745 570972917 /nfs/dbraw/zinc/97/29/17/570972917.db2.gz NVJLQIZHHUERLW-UHFFFAOYSA-N 0 0 389.451 4.713 50 0 biogenic GJAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCC2=CCCCC2)cc1C ZINC000002152627 570973073 /nfs/dbraw/zinc/97/30/73/570973073.db2.gz RTDMDWSMMDUQCA-CJLVFECKSA-N 0 0 392.499 4.674 50 0 GJAARN C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1nnc(-c2cccs2)o1 ZINC000019297848 570973779 /nfs/dbraw/zinc/97/37/79/570973779.db2.gz NRDLGAFRTMDHMO-SNVBAGLBSA-N 0 0 389.893 4.886 50 0 GJAARN COC(=O)c1occc1[C@H]1N(C)c2ccccc2C(=O)N1c1ccccc1Cl ZINC000083881767 570974665 /nfs/dbraw/zinc/97/46/65/570974665.db2.gz PMHVXMSAIHXOTC-IBGZPJMESA-N 0 0 396.830 4.515 50 0 GJAARN COc1cc(NC(=O)c2cc(F)ccc2-c2ccccc2)ccc1NC(C)=O ZINC000044774920 570976856 /nfs/dbraw/zinc/97/68/56/570976856.db2.gz QEMBMRKDKQPYAI-UHFFFAOYSA-N 0 0 378.403 4.712 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000044874320 570978466 /nfs/dbraw/zinc/97/84/66/570978466.db2.gz AKQKBHFLQDGQJS-RYUDHWBXSA-N 0 0 398.406 4.846 50 0 GJAARN Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3)n2)c1 ZINC000033324985 570979132 /nfs/dbraw/zinc/97/91/32/570979132.db2.gz JAFPEPVWLKSUDO-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(Br)c1 ZINC000012737780 570979499 /nfs/dbraw/zinc/97/94/99/570979499.db2.gz BJBKDRMLJRDHOM-MRXNPFEDSA-N 0 0 390.277 4.568 50 0 GJAARN COc1ccc(C2=CCN(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000083943687 570981014 /nfs/dbraw/zinc/98/10/14/570981014.db2.gz JHYTWFSKVILFAN-HXUWFJFHSA-N 0 0 398.503 4.870 50 0 GJAARN Cc1ccc(-c2csc(=S)n2CC(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000012739989 570981728 /nfs/dbraw/zinc/98/17/28/570981728.db2.gz XKVNKODHNBWIJR-UHFFFAOYSA-N 0 0 388.543 4.622 50 0 GJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2csc3c2CCCC3)o1 ZINC000001405204 570982582 /nfs/dbraw/zinc/98/25/82/570982582.db2.gz ZFCMJOZPJWYLRH-UHFFFAOYSA-N 0 0 385.514 4.716 50 0 GJAARN O=C(N[C@@H](c1cccs1)C1CCOCC1)c1nc(-c2cccs2)cs1 ZINC000585149378 570983205 /nfs/dbraw/zinc/98/32/05/570983205.db2.gz MJBWHRBNPQLMAZ-MRXNPFEDSA-N 0 0 390.555 4.831 50 0 GJAARN Cc1ccc(C(=O)[C@H](NC(=O)c2ccccc2)SCc2ccccc2)cc1 ZINC000585152254 570985312 /nfs/dbraw/zinc/98/53/12/570985312.db2.gz 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COc1ccc(-c2csc3nc(-c4ccc(F)cc4)oc(=O)c23)cc1OC ZINC000000798306 212182004 /nfs/dbraw/zinc/18/20/04/212182004.db2.gz FVKJDDKQHSEXNF-UHFFFAOYSA-N 0 0 383.400 4.740 50 0 GJAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000009328363 212181679 /nfs/dbraw/zinc/18/16/79/212181679.db2.gz ZKCBVBJWVOZXHJ-UHFFFAOYSA-N 0 0 399.402 4.953 50 0 GJAARN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc2c(c1)OCO2 ZINC000000809584 212184164 /nfs/dbraw/zinc/18/41/64/212184164.db2.gz VVWOQHONDALOPZ-UHFFFAOYSA-N 0 0 394.814 4.573 50 0 GJAARN Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2ccccc21 ZINC000000799826 212183038 /nfs/dbraw/zinc/18/30/38/212183038.db2.gz RYGFZJCKDSPOTL-OAQYLSRUSA-N 0 0 387.508 4.580 50 0 GJAARN Cc1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)n1 ZINC000000728163 212178261 /nfs/dbraw/zinc/17/82/61/212178261.db2.gz VRZIINSFBMSBQT-UHFFFAOYSA-N 0 0 376.026 4.804 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1ccoc1C)C[C@H](C(C)(C)C)CC2 ZINC000000708873 212176445 /nfs/dbraw/zinc/17/64/45/212176445.db2.gz 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Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)c1 ZINC000000705166 212175091 /nfs/dbraw/zinc/17/50/91/212175091.db2.gz ZRXUIRVZIKERPX-FGEXJBCWSA-N 0 0 379.459 4.566 50 0 GJAARN CCOc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)cc1 ZINC000000624914 212165930 /nfs/dbraw/zinc/16/59/30/212165930.db2.gz BWWJJHRGRLLTMM-UHFFFAOYSA-N 0 0 385.514 4.790 50 0 GJAARN CCOC(=O)c1c(C)n(C)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1 ZINC000000653399 212170039 /nfs/dbraw/zinc/17/00/39/212170039.db2.gz SAQVUZJVZVHAMT-UHFFFAOYSA-N 0 0 379.456 4.861 50 0 GJAARN O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000000649593 212169549 /nfs/dbraw/zinc/16/95/49/212169549.db2.gz RDABSWVOTHTZBT-UHFFFAOYSA-N 0 0 375.443 4.823 50 0 GJAARN O=C(CSc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1 ZINC000000634625 212167637 /nfs/dbraw/zinc/16/76/37/212167637.db2.gz ROMSEERKEIFVDB-UHFFFAOYSA-N 0 0 376.503 4.945 50 0 GJAARN CC(C)Cn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000000637690 212167573 /nfs/dbraw/zinc/16/75/73/212167573.db2.gz PQGYPPPTTGUXJJ-UHFFFAOYSA-N 0 0 386.904 4.681 50 0 GJAARN COc1ccc(Nc2nc(Nc3ccc(Cl)cc3C)nc3nccnc32)cc1 ZINC000009074484 212162767 /nfs/dbraw/zinc/16/27/67/212162767.db2.gz IUELRRKPUUBAOB-UHFFFAOYSA-N 0 0 392.850 4.877 50 0 GJAARN CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000009137583 212163851 /nfs/dbraw/zinc/16/38/51/212163851.db2.gz KTPCPSOYNWXYBU-UHFFFAOYSA-N 0 0 390.405 4.893 50 0 GJAARN Cc1nn(C)c2ncc(NC(=O)/C=C\c3ccc(Cl)c(C(F)(F)F)c3)cc12 ZINC000096793716 212155573 /nfs/dbraw/zinc/15/55/73/212155573.db2.gz WRNBVKGJZGYDAN-XQRVVYSFSA-N 0 0 394.784 4.601 50 0 GJAARN CCOc1ccc(C(C)=O)cc1COC(=O)C=Cc1nc2ccccc2s1 ZINC000096298588 212154641 /nfs/dbraw/zinc/15/46/41/212154641.db2.gz JXRILMLMXGOTKC-KHPPLWFESA-N 0 0 381.453 4.654 50 0 GJAARN COc1cc(/C=C\C(=O)OCc2cccnc2Cl)cc(Cl)c1OC(C)C ZINC000096188233 212154303 /nfs/dbraw/zinc/15/43/03/212154303.db2.gz YFDRHLIQLJRXDW-SREVYHEPSA-N 0 0 396.270 4.941 50 0 GJAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc4ccccc4o3)cc21 ZINC000004262881 212146099 /nfs/dbraw/zinc/14/60/99/212146099.db2.gz ZIPUPBSPRIXJKC-UHFFFAOYSA-N 0 0 394.379 4.510 50 0 GJAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000015729430 212149020 /nfs/dbraw/zinc/14/90/20/212149020.db2.gz CLPFMFZETOQGBQ-UHFFFAOYSA-N 0 0 376.799 4.965 50 0 GJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OC/C=C/c3ccccc3)cc2oc1=O ZINC000002095422 212143973 /nfs/dbraw/zinc/14/39/73/212143973.db2.gz AQWTZLOIQXKBNA-RMKNXTFCSA-N 0 0 398.842 4.563 50 0 biogenic GJAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1C ZINC000263616701 212141318 /nfs/dbraw/zinc/14/13/18/212141318.db2.gz KCTAIOSOLNFXJX-GOSISDBHSA-N 0 0 381.863 4.984 50 0 GJAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cccc2ccccc21 ZINC000245015301 212132873 /nfs/dbraw/zinc/13/28/73/212132873.db2.gz LUYGUMMQLFCANC-NRFANRHFSA-N 0 0 379.506 4.629 50 0 GJAARN Cc1noc([C@@H](NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)C)n1 ZINC000334161733 212107725 /nfs/dbraw/zinc/10/77/25/212107725.db2.gz DWKGMJMVZHCRIA-IBGZPJMESA-N 0 0 399.878 4.738 50 0 GJAARN O=C(c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1)N1CCOCC1 ZINC000014209886 212097686 /nfs/dbraw/zinc/09/76/86/212097686.db2.gz BTKRYCZHPXWJLL-HTXNQAPBSA-N 0 0 384.479 4.584 50 0 GJAARN COc1ccc(C(=O)[C@H](OC(=O)c2ccc(N(C)C)cc2)c2ccccc2)cc1 ZINC000001121554 209114813 /nfs/dbraw/zinc/11/48/13/209114813.db2.gz MXJNZCSGBAYMIB-HSZRJFAPSA-N 0 0 389.451 4.542 50 0 GJAARN COc1ccc(-c2nc(CN(C)Cc3ccc4nsnc4c3)c(C)o2)cc1C ZINC000059329453 209114941 /nfs/dbraw/zinc/11/49/41/209114941.db2.gz UPYXAUJVGDUKJE-UHFFFAOYSA-N 0 0 394.500 4.604 50 0 GJAARN Cc1c2cc(C)cc(C)c2oc1C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000334162306 206255090 /nfs/dbraw/zinc/25/50/90/206255090.db2.gz LXFVUQMQBFZUBU-UHFFFAOYSA-N 0 0 393.411 4.607 50 0 GJAARN Cc1oc2c(ccc3c2CN(Cc2ccncc2)CO3)c(=O)c1-c1ccccc1 ZINC000054313327 206278619 /nfs/dbraw/zinc/27/86/19/206278619.db2.gz YPNVNXVMUGQHJQ-UHFFFAOYSA-N 0 0 384.435 4.516 50 0 biogenic GJAARN O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cccc(C(F)(F)F)c1 ZINC000240068136 206280597 /nfs/dbraw/zinc/28/05/97/206280597.db2.gz SJNGKGUFCYQTLE-UHFFFAOYSA-N 0 0 389.402 4.927 50 0 GJAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253497724 206283823 /nfs/dbraw/zinc/28/38/23/206283823.db2.gz ITYPNQSEEGEJEL-TYYBBMATSA-N 0 0 390.564 4.673 50 0 GJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)NCCc1ccc(O)cc1 ZINC000263587329 206287043 /nfs/dbraw/zinc/28/70/43/206287043.db2.gz FPVSISDVYIWURY-XMMPIXPASA-N 0 0 384.479 4.685 50 0 GJAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 ZINC000263616416 206289607 /nfs/dbraw/zinc/28/96/07/206289607.db2.gz INLQNMXGSWKWGO-GOSISDBHSA-N 0 0 381.863 4.686 50 0 GJAARN COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O ZINC000001131507 206290637 /nfs/dbraw/zinc/29/06/37/206290637.db2.gz ZUHNSEPBGTTZQI-UHFFFAOYSA-N 0 0 376.364 4.589 50 0 biogenic GJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 ZINC000263619631 206290781 /nfs/dbraw/zinc/29/07/81/206290781.db2.gz ZRPZENBEGPPMHP-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN COc1cccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)c1 ZINC000001020377 206291078 /nfs/dbraw/zinc/29/10/78/206291078.db2.gz QBTSPCMQWRGXCW-BJKOFHAPSA-N 0 0 387.483 4.606 50 0 biogenic GJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccccc4)ccc32)cc1 ZINC000001184499 206291346 /nfs/dbraw/zinc/29/13/46/206291346.db2.gz ANRCYTVNODEVIJ-UHFFFAOYSA-N 0 0 386.403 4.730 50 0 biogenic GJAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 ZINC000004083479 206293735 /nfs/dbraw/zinc/29/37/35/206293735.db2.gz UOGVUQZHAFLJIR-PCNVCBKPSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN CCOc1ccccc1Oc1c(C)oc2c(ccc3c2CN(C2CC2)CO3)c1=O ZINC000012442487 206294261 /nfs/dbraw/zinc/29/42/61/206294261.db2.gz PWOUZEBQDOPJTK-UHFFFAOYSA-N 0 0 393.439 4.607 50 0 GJAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)c1 ZINC000015729354 206297570 /nfs/dbraw/zinc/29/75/70/206297570.db2.gz BTRIQFFLBXDOKF-UHFFFAOYSA-N 0 0 395.455 4.974 50 0 GJAARN C/C(=C\C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)C1CC1 ZINC000096298001 206300668 /nfs/dbraw/zinc/30/06/68/206300668.db2.gz VDJRGMYSPOQHOF-JICACKBISA-N 0 0 381.303 4.669 50 0 GJAARN Cc1cc(NC(=S)NC(=O)C(C)(C)C)cc(-c2nc3ccccc3s2)c1O ZINC000000623832 206307706 /nfs/dbraw/zinc/30/77/06/206307706.db2.gz XRDZAOWENCYXKD-UHFFFAOYSA-N 0 0 399.541 4.836 50 0 GJAARN CCOC(=O)[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccccc1 ZINC000000622154 206307742 /nfs/dbraw/zinc/30/77/42/206307742.db2.gz SZKWPEKYSXQTGO-FQEVSTJZSA-N 0 0 398.842 4.618 50 0 GJAARN O=C1c2ccc3c4c(ccc(c42)C(=O)N1c1cccc(Br)c1)CC3 ZINC000000625690 206309719 /nfs/dbraw/zinc/30/97/19/206309719.db2.gz AUSKENHKXQXBCC-UHFFFAOYSA-N 0 0 378.225 4.502 50 0 GJAARN Clc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 ZINC000000634002 206310218 /nfs/dbraw/zinc/31/02/18/206310218.db2.gz VYCJGBJBVBQXLR-JKSUJKDBSA-N 0 0 389.684 4.840 50 0 GJAARN COC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc2c1CCCCC2 ZINC000000647944 206311812 /nfs/dbraw/zinc/31/18/12/206311812.db2.gz VCFZMNRZXKAODG-UHFFFAOYSA-N 0 0 377.893 4.638 50 0 GJAARN Cc1c2c(nn1-c1ccc(Cl)cc1)c(N1CCc3ccccc31)nnc2C ZINC000000642654 206312065 /nfs/dbraw/zinc/31/20/65/206312065.db2.gz FSTOHTLJFZOFQA-UHFFFAOYSA-N 0 0 375.863 4.780 50 0 GJAARN COc1cccc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1 ZINC000000658371 206313744 /nfs/dbraw/zinc/31/37/44/206313744.db2.gz VMFFYIMXYWAJRV-UHFFFAOYSA-N 0 0 394.858 4.782 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1 ZINC000000663892 206313915 /nfs/dbraw/zinc/31/39/15/206313915.db2.gz YPEWLOYUFJTSCF-UHFFFAOYSA-N 0 0 377.440 4.925 50 0 GJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1C[C@H]3CC[C@@H]1C3)CCCCC2 ZINC000000668801 206314744 /nfs/dbraw/zinc/31/47/44/206314744.db2.gz DQLMUSMXKADYPB-SQWLQELKSA-N 0 0 375.534 4.957 50 0 GJAARN Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1Br ZINC000000678931 206315132 /nfs/dbraw/zinc/31/51/32/206315132.db2.gz RLBWOQWQTKQOQB-UHFFFAOYSA-N 0 0 389.274 4.631 50 0 GJAARN O=C(Nc1ccc(Cl)cn1)c1ccc(Br)cc1Br ZINC000000682586 206316455 /nfs/dbraw/zinc/31/64/55/206316455.db2.gz HJTXCUAAAFAIRD-UHFFFAOYSA-N 0 0 390.462 4.512 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cc1OC ZINC000000688714 206316998 /nfs/dbraw/zinc/31/69/98/206316998.db2.gz ZVAWENWXTHPNKN-INIZCTEOSA-N 0 0 390.483 4.934 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000689345 206317144 /nfs/dbraw/zinc/31/71/44/206317144.db2.gz QYCATRKWLZNVGZ-NRFANRHFSA-N 0 0 377.465 4.930 50 0 GJAARN CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OC2CCCCC2)=C1C ZINC000000707388 206317729 /nfs/dbraw/zinc/31/77/29/206317729.db2.gz UEZLBNYNGDMRSS-GOSISDBHSA-N 0 0 376.884 4.576 50 0 GJAARN CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc2c(c1)OCCO2 ZINC000000706918 206317778 /nfs/dbraw/zinc/31/77/78/206317778.db2.gz NLXOPPLHXOTQJP-UHFFFAOYSA-N 0 0 384.819 4.580 50 0 GJAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1C ZINC000000714090 206319304 /nfs/dbraw/zinc/31/93/04/206319304.db2.gz RYONNDPMDXKLEE-ZOVQAKDCSA-N 0 0 393.486 4.874 50 0 GJAARN Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccc(Br)cc1 ZINC000000777937 206319869 /nfs/dbraw/zinc/31/98/69/206319869.db2.gz CEEXPEOYRJTTGP-UHFFFAOYSA-N 0 0 384.060 4.763 50 0 GJAARN CCOC(=O)c1nc2sc3c(c2c(Nc2ccc(OCC)cc2)n1)CCCC3 ZINC000000755380 206320478 /nfs/dbraw/zinc/32/04/78/206320478.db2.gz SUZCPVSLTNHYOD-UHFFFAOYSA-N 0 0 397.500 4.889 50 0 GJAARN O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1Cl ZINC000000811903 206322645 /nfs/dbraw/zinc/32/26/45/206322645.db2.gz ZPMAWJPCUNSPHD-UHFFFAOYSA-N 0 0 378.815 4.757 50 0 GJAARN CC(=O)Oc1ccc2cc(-c3nc4c(s3)CCc3ccccc3-4)c(=O)oc2c1 ZINC000000813048 206324002 /nfs/dbraw/zinc/32/40/02/206324002.db2.gz TZWGUTNNPMBCMM-UHFFFAOYSA-N 0 0 389.432 4.607 50 0 GJAARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000000828056 206325326 /nfs/dbraw/zinc/32/53/26/206325326.db2.gz RATXQNGWNOVJQZ-UHFFFAOYSA-N 0 0 392.846 4.725 50 0 GJAARN Cn1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1NC(=O)c1ccccc1 ZINC000000822582 206325661 /nfs/dbraw/zinc/32/56/61/206325661.db2.gz YDRQWJCYOFLFKY-UHFFFAOYSA-N 0 0 396.450 4.592 50 0 GJAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1F ZINC000000902137 206331820 /nfs/dbraw/zinc/33/18/20/206331820.db2.gz YEYWBMRUEJQKFA-UHFFFAOYSA-N 0 0 397.353 4.625 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cccnc1 ZINC000000848962 206327228 /nfs/dbraw/zinc/32/72/28/206327228.db2.gz AXGHKFIXVJARPN-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000000856520 206327927 /nfs/dbraw/zinc/32/79/27/206327927.db2.gz FLUJXWHYRTYBQM-CQSZACIVSA-N 0 0 398.431 4.740 50 0 GJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000000856521 206328221 /nfs/dbraw/zinc/32/82/21/206328221.db2.gz FLUJXWHYRTYBQM-AWEZNQCLSA-N 0 0 398.431 4.740 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000862491 206328929 /nfs/dbraw/zinc/32/89/29/206328929.db2.gz UZFPXJJOFXGMLQ-HXUWFJFHSA-N 0 0 391.858 4.760 50 0 GJAARN O=C(NCc1ccco1)c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000001131764 206357853 /nfs/dbraw/zinc/35/78/53/206357853.db2.gz FQIRQQURCXIJRQ-UHFFFAOYSA-N 0 0 388.467 4.660 50 0 GJAARN Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2Nc3ccccc3C(=O)N2)c1 ZINC000009639062 206334596 /nfs/dbraw/zinc/33/45/96/206334596.db2.gz GYECQNVATXWDFG-DEOSSOPVSA-N 0 0 394.478 4.761 50 0 GJAARN CCN(C1=C(Cl)C(=O)N(c2cc(Cl)ccc2Cl)C1=O)c1ccccc1 ZINC000000941298 206335310 /nfs/dbraw/zinc/33/53/10/206335310.db2.gz ZHZLJALGRBAFHK-UHFFFAOYSA-N 0 0 395.673 4.844 50 0 GJAARN Cc1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCO5)n23)cc1 ZINC000000937517 206335486 /nfs/dbraw/zinc/33/54/86/206335486.db2.gz OLQIMALEUMNICN-UHFFFAOYSA-N 0 0 381.482 4.787 50 0 GJAARN CCOc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccccc2)S3)cc1OCC ZINC000000952720 206336347 /nfs/dbraw/zinc/33/63/47/206336347.db2.gz RCOMTILXFLLAAY-SFHVURJKSA-N 0 0 395.484 4.620 50 0 GJAARN Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4cccnc4)ccc3c2=O)c1 ZINC000000948942 206336528 /nfs/dbraw/zinc/33/65/28/206336528.db2.gz YITLQEWLLMNFRB-UHFFFAOYSA-N 0 0 387.391 4.816 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@@H](C)C2 ZINC000000948407 206336747 /nfs/dbraw/zinc/33/67/47/206336747.db2.gz ZBAMFCQKMLMPSD-YPUOHESYSA-N 0 0 375.515 4.763 50 0 GJAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000000946286 206336809 /nfs/dbraw/zinc/33/68/09/206336809.db2.gz KAZQTEHMZWHCQJ-UHFFFAOYSA-N 0 0 381.646 4.738 50 0 GJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C)c3C)c2c1 ZINC000000952860 206336949 /nfs/dbraw/zinc/33/69/49/206336949.db2.gz LUEPPNRFEFSCLM-UHFFFAOYSA-N 0 0 392.455 4.949 50 0 GJAARN COc1ccc(C(=O)C[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1 ZINC000000976103 206338149 /nfs/dbraw/zinc/33/81/49/206338149.db2.gz UQDRPFASTDSHHS-FQEVSTJZSA-N 0 0 386.494 4.545 50 0 GJAARN Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N3CCOCC3)c2c1 ZINC000000993199 206339306 /nfs/dbraw/zinc/33/93/06/206339306.db2.gz SXKMDACGFAUERP-UHFFFAOYSA-N 0 0 380.875 4.644 50 0 GJAARN O=C(COC(=O)c1ccccc1Cl)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000987262 206339969 /nfs/dbraw/zinc/33/99/69/206339969.db2.gz 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206343031 /nfs/dbraw/zinc/34/30/31/206343031.db2.gz GKJHUGJNIZCQRE-UHFFFAOYSA-N 0 0 394.793 4.862 50 0 GJAARN Cc1c(NC(=O)COc2ccccc2Cl)cccc1-c1nc2ncccc2o1 ZINC000001049616 206345802 /nfs/dbraw/zinc/34/58/02/206345802.db2.gz VUEGOKWSPWGRDH-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN COc1ccc2c(c1)oc(C(F)(F)F)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000001142951 206358331 /nfs/dbraw/zinc/35/83/31/206358331.db2.gz NIKFSQLFXPULQA-UHFFFAOYSA-N 0 0 386.329 4.673 50 0 GJAARN CCCN(CCC)C(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 ZINC000001081026 206350821 /nfs/dbraw/zinc/35/08/21/206350821.db2.gz CHNDADPZYPZVAY-CQSZACIVSA-N 0 0 388.533 4.980 50 0 GJAARN CN(C(=O)c1ccc(COc2ccccc2Br)o1)c1ccccc1 ZINC000001083443 206351182 /nfs/dbraw/zinc/35/11/82/206351182.db2.gz RBHYFHROWRTCEV-UHFFFAOYSA-N 0 0 386.245 4.898 50 0 GJAARN Clc1ccc(C2=Nn3c(COc4ccccc4)nnc3SC2)cc1Cl ZINC000001103861 206352113 /nfs/dbraw/zinc/35/21/13/206352113.db2.gz WVXXIMZDUTVMIO-UHFFFAOYSA-N 0 0 391.283 4.522 50 0 GJAARN O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1 ZINC000001099264 206352163 /nfs/dbraw/zinc/35/21/63/206352163.db2.gz KCMZXFSMDWJEGA-UHFFFAOYSA-N 0 0 395.212 4.872 50 0 aggregator GJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001109101 206353407 /nfs/dbraw/zinc/35/34/07/206353407.db2.gz FDGFIPIIMPJKSH-AWEZNQCLSA-N 0 0 398.846 4.900 50 0 GJAARN CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000001109242 206353941 /nfs/dbraw/zinc/35/39/41/206353941.db2.gz YXNJMURRDMKQHW-UHFFFAOYSA-N 0 0 377.440 4.925 50 0 GJAARN COc1ccc(CCNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)cc1 ZINC000001111944 206354117 /nfs/dbraw/zinc/35/41/17/206354117.db2.gz CGPPSUYSUXPXJD-UHFFFAOYSA-N 0 0 386.451 4.784 50 0 biogenic GJAARN Cc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1C ZINC000001120308 206354456 /nfs/dbraw/zinc/35/44/56/206354456.db2.gz FCCFIUNNOGWLEP-UHFFFAOYSA-N 0 0 379.241 4.777 50 0 GJAARN CC(C)C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000001115681 206355340 /nfs/dbraw/zinc/35/53/40/206355340.db2.gz COQVOHAELNLDTB-GFCCVEGCSA-N 0 0 395.286 4.994 50 0 GJAARN COC(=O)c1ccc(C)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000001130723 206356848 /nfs/dbraw/zinc/35/68/48/206356848.db2.gz ZLDKQSUMZOMJEH-UHFFFAOYSA-N 0 0 398.311 4.960 50 0 GJAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000001305293 206371296 /nfs/dbraw/zinc/37/12/96/206371296.db2.gz KKXRNXMJXBUPIB-SIKLNZKXSA-N 0 0 388.423 4.617 50 0 GJAARN Cc1ccc(SCCC(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000010210659 206374845 /nfs/dbraw/zinc/37/48/45/206374845.db2.gz REXVSICYWHYIJT-CYBMUJFWSA-N 0 0 395.883 4.840 50 0 GJAARN COC(=O)c1cc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2s1 ZINC000001392863 206377623 /nfs/dbraw/zinc/37/76/23/206377623.db2.gz JNZUIOAPXCAVTC-UHFFFAOYSA-N 0 0 379.359 4.959 50 0 GJAARN CSc1nnc(-c2sccc2OCc2cccc(C(F)(F)F)c2)n1C ZINC000001395899 206377762 /nfs/dbraw/zinc/37/77/62/206377762.db2.gz BTMDFZSYLBTEOT-UHFFFAOYSA-N 0 0 385.436 4.863 50 0 GJAARN Cc1ccc(NC(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000001388010 206378298 /nfs/dbraw/zinc/37/82/98/206378298.db2.gz ODKGXFPLTDMEDJ-UHFFFAOYSA-N 0 0 377.231 4.631 50 0 GJAARN Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@@H](C(C)(C)C)CO2 ZINC000001392419 206378491 /nfs/dbraw/zinc/37/84/91/206378491.db2.gz VAHYYMAMMWDZTK-GOSISDBHSA-N 0 0 379.909 4.651 50 0 GJAARN COc1ccc(C2=C(Oc3ccc(F)cc3)c3ccc(OC)cc3S2=O)cc1 ZINC000001403458 206379237 /nfs/dbraw/zinc/37/92/37/206379237.db2.gz LUHKAFLEPLFVGB-UHFFFAOYSA-N 0 0 396.439 4.869 50 0 GJAARN CN(C(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(Cl)cc1 ZINC000001402423 206379726 /nfs/dbraw/zinc/37/97/26/206379726.db2.gz SKGSTSYHFBIEDW-UHFFFAOYSA-N 0 0 388.854 4.921 50 0 GJAARN COc1ccc(-c2oc(=O)n(Cc3ccccc3)c2-c2ccc(OC)cc2)cc1 ZINC000001423024 206380301 /nfs/dbraw/zinc/38/03/01/206380301.db2.gz DZZLJWRVMAOCOS-UHFFFAOYSA-N 0 0 387.435 4.841 50 0 GJAARN CCc1cccc(C)c1N(C(=O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC ZINC000001447787 206382793 /nfs/dbraw/zinc/38/27/93/206382793.db2.gz WMHROXSFSBKQDM-LJQANCHMSA-N 0 0 393.531 4.592 50 0 GJAARN O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 ZINC000001452637 206382949 /nfs/dbraw/zinc/38/29/49/206382949.db2.gz JQMBNNLFHSDNHV-CQSZACIVSA-N 0 0 378.086 4.878 50 0 GJAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1C(F)(F)F ZINC000001509638 206384441 /nfs/dbraw/zinc/38/44/41/206384441.db2.gz IJWLYJGAZBLHKD-ZROIWOOFSA-N 0 0 396.162 4.812 50 0 GJAARN CC1(C)Cc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C(=O)C1 ZINC000001151830 206360511 /nfs/dbraw/zinc/36/05/11/206360511.db2.gz IPCPKYPXYRGGCE-UHFFFAOYSA-N 0 0 399.903 4.939 50 0 GJAARN O=C(COc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1ccc(Cl)cc1 ZINC000001164196 206361610 /nfs/dbraw/zinc/36/16/10/206361610.db2.gz RJTGVSQSZXMAQT-UHFFFAOYSA-N 0 0 382.721 4.727 50 0 GJAARN CC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(F)cc1)c2=O ZINC000001165589 206361975 /nfs/dbraw/zinc/36/19/75/206361975.db2.gz CRFZXHGEHPQTAF-UHFFFAOYSA-N 0 0 382.265 4.669 50 0 GJAARN O=S(=O)(c1ccccc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000001216213 206368014 /nfs/dbraw/zinc/36/80/14/206368014.db2.gz GQPBLJYFQIORFZ-HSZRJFAPSA-N 0 0 386.476 4.933 50 0 GJAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c(C)c1 ZINC000001225930 206369311 /nfs/dbraw/zinc/36/93/11/206369311.db2.gz KHPICQHPOKRSSW-ZCOIRKDISA-N 0 0 393.486 4.874 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 ZINC000001246422 206370670 /nfs/dbraw/zinc/37/06/70/206370670.db2.gz PEPLRSOXCXBORF-UHFFFAOYSA-N 0 0 385.876 4.612 50 0 GJAARN COc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000001239326 206370720 /nfs/dbraw/zinc/37/07/20/206370720.db2.gz ZIVCLQILTQZZNS-FQEVSTJZSA-N 0 0 379.847 4.594 50 0 GJAARN COc1cc(CNC(=O)c2ccc(-c3ccccc3)nc2C)ccc1OC(F)F ZINC000010442051 206392317 /nfs/dbraw/zinc/39/23/17/206392317.db2.gz CTKBBUQAWKUIOU-UHFFFAOYSA-N 0 0 398.409 4.597 50 0 GJAARN CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)CCC4CCCCC4)cc1c32 ZINC000001835073 206393149 /nfs/dbraw/zinc/39/31/49/206393149.db2.gz YXIIPNAWTZVONZ-UHFFFAOYSA-N 0 0 381.472 4.677 50 0 GJAARN CCCOc1cccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000002049792 206395714 /nfs/dbraw/zinc/39/57/14/206395714.db2.gz YWMPBINJAQZDGR-UHFFFAOYSA-N 0 0 382.407 4.621 50 0 GJAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(OC)cc3)c12 ZINC000002090948 206397979 /nfs/dbraw/zinc/39/79/79/206397979.db2.gz FPJNOKPHEQDQAL-UHFFFAOYSA-N 0 0 380.440 4.714 50 0 biogenic GJAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C(=O)N1c1ccccc1 ZINC000002087640 206398748 /nfs/dbraw/zinc/39/87/48/206398748.db2.gz NSQNBXBJKYAZOR-GMAHTHKFSA-N 0 0 393.446 4.651 50 0 biogenic GJAARN COc1ccccc1OCCn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 ZINC000002478133 206418817 /nfs/dbraw/zinc/41/88/17/206418817.db2.gz ITKWBILCOZMGLR-UHFFFAOYSA-N 0 0 377.362 4.782 50 0 GJAARN Cc1ccccc1C(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccccc1 ZINC000002218981 206402485 /nfs/dbraw/zinc/40/24/85/206402485.db2.gz VATQCBQICVREGE-UHFFFAOYSA-N 0 0 395.462 4.769 50 0 GJAARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3C)n2)cc1 ZINC000002231830 206402942 /nfs/dbraw/zinc/40/29/42/206402942.db2.gz POEMIYXPNUASHH-UHFFFAOYSA-N 0 0 385.423 4.973 50 0 GJAARN COc1ccc(-n2c(-c3ccccc3C)nc3nc4ccccc4nc32)cc1OC ZINC000002220076 206403551 /nfs/dbraw/zinc/40/35/51/206403551.db2.gz VTQWSXKIUMKOAN-UHFFFAOYSA-N 0 0 396.450 4.961 50 0 GJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1Cc1ccco1 ZINC000002405368 206414332 /nfs/dbraw/zinc/41/43/32/206414332.db2.gz VCCCZXIUFNNXNK-IBGZPJMESA-N 0 0 391.810 4.785 50 0 GJAARN Clc1ccc(-n2ncc3c4nc(C5CCCCC5)nn4cnc32)cc1Cl ZINC000002412852 206414740 /nfs/dbraw/zinc/41/47/40/206414740.db2.gz KNHMYYAZCJJZAR-UHFFFAOYSA-N 0 0 387.274 4.818 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)s1 ZINC000002745334 206431674 /nfs/dbraw/zinc/43/16/74/206431674.db2.gz BTJIHHRRTVWITO-UHFFFAOYSA-N 0 0 387.464 4.623 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c(C)c1 ZINC000002762805 206433196 /nfs/dbraw/zinc/43/31/96/206433196.db2.gz YSGIBWKLOCSCKL-UHFFFAOYSA-N 0 0 384.277 4.563 50 0 GJAARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000002878985 206443457 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O=C(NCc1ccccc1)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000014609478 207024629 /nfs/dbraw/zinc/02/46/29/207024629.db2.gz GMPHLHNIMNBWGI-UHFFFAOYSA-N 0 0 388.858 4.518 50 0 GJAARN O=C(Cc1csc(-c2ccccn2)n1)Nc1nc(-c2cccs2)cs1 ZINC000014634709 207025611 /nfs/dbraw/zinc/02/56/11/207025611.db2.gz YNOMUDLYHHNMEV-UHFFFAOYSA-N 0 0 384.511 4.571 50 0 GJAARN Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)cc1C ZINC000014980806 207038708 /nfs/dbraw/zinc/03/87/08/207038708.db2.gz ISHMBWYPFRAMKM-OAQYLSRUSA-N 0 0 388.515 4.580 50 0 GJAARN CN(C(=O)c1cccc(-c2ccco2)c1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000014980382 207039589 /nfs/dbraw/zinc/03/95/89/207039589.db2.gz QBLYGKPFOHSMDZ-NRFANRHFSA-N 0 0 392.474 4.822 50 0 GJAARN O=C(NCc1ccco1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000015724653 207056522 /nfs/dbraw/zinc/05/65/22/207056522.db2.gz QUMJUIJZNAOCRW-QFIPXVFZSA-N 0 0 389.430 4.757 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(O)c(Br)c2)N1Cc1ccco1 ZINC000015248786 207049287 /nfs/dbraw/zinc/04/92/87/207049287.db2.gz 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GJAARN O=C(Nc1ccccc1Cl)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773751 207059392 /nfs/dbraw/zinc/05/93/92/207059392.db2.gz HDQNYHXZQYKLOK-FQEVSTJZSA-N 0 0 376.843 4.550 50 0 GJAARN COc1ccc(Cn2c(C)c(C[NH2+][C@H](C)c3ccccc3)c(C(=O)[O-])c2C)cc1 ZINC000015777141 207061591 /nfs/dbraw/zinc/06/15/91/207061591.db2.gz VQKUBNPUKCGRMF-MRXNPFEDSA-N 0 0 392.499 4.711 50 0 GJAARN COc1cc(Cl)c(C)cc1Nc1cc(C)nc2nc(-c3ccccc3)nn21 ZINC000016268073 207074916 /nfs/dbraw/zinc/07/49/16/207074916.db2.gz VPNAZWYNOIRWKR-UHFFFAOYSA-N 0 0 379.851 4.814 50 0 GJAARN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000016677671 207076205 /nfs/dbraw/zinc/07/62/05/207076205.db2.gz FYALNGCNPPIGMV-UYRXBGFRSA-N 0 0 383.469 4.721 50 0 GJAARN Cc1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)cc1 ZINC000016903814 207079971 /nfs/dbraw/zinc/07/99/71/207079971.db2.gz AHUCBOHARIHBSU-NRFANRHFSA-N 0 0 386.495 4.684 50 0 GJAARN Cc1ccc(C)c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000016899412 207080604 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CC1(C)Cc2nc3sc4c(ncn(Cc5ccccc5)c4=O)c3cc2CS1 ZINC000017440285 207090160 /nfs/dbraw/zinc/09/01/60/207090160.db2.gz VNSJFMLRZFYOMY-UHFFFAOYSA-N 0 0 393.537 4.622 50 0 GJAARN COC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000018019544 207091531 /nfs/dbraw/zinc/09/15/31/207091531.db2.gz SLAAETDZWURLCQ-UHFFFAOYSA-N 0 0 381.240 4.642 50 0 GJAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(C)=O)cc1 ZINC000018702097 207097934 /nfs/dbraw/zinc/09/79/34/207097934.db2.gz AGOWDEFYROZCLX-UHFFFAOYSA-N 0 0 393.409 4.762 50 0 GJAARN C[C@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccccc1Cl ZINC000018457920 207098711 /nfs/dbraw/zinc/09/87/11/207098711.db2.gz SFMJQMUKTPOXOX-NSHDSACASA-N 0 0 375.856 4.989 50 0 GJAARN CCCNC(=O)c1cc2scc(Br)c2n1Cc1ccccc1 ZINC000037543790 207125641 /nfs/dbraw/zinc/12/56/41/207125641.db2.gz KCBRIGQJVFAJQM-UHFFFAOYSA-N 0 0 377.307 4.653 50 0 GJAARN CC(C)CNC(=O)c1cc2scc(Br)c2n1Cc1ccccc1 ZINC000037543786 207125770 /nfs/dbraw/zinc/12/57/70/207125770.db2.gz LCAJXXOPJNDYTA-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/16/94/31/207169431.db2.gz FRGFPVDVCCFZGF-UHFFFAOYSA-N 0 0 393.274 4.813 50 0 GJAARN O=C1Nc2ccccc2N(O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020355739 207190175 /nfs/dbraw/zinc/19/01/75/207190175.db2.gz YSTUTVNWOXWGQG-UHFFFAOYSA-N 0 0 377.244 4.887 50 0 GJAARN CCN(CC)c1c2cc(C)ccc2ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020381493 207190512 /nfs/dbraw/zinc/19/05/12/207190512.db2.gz OQCOACFUXNKQCI-UHFFFAOYSA-N 0 0 388.920 4.876 50 0 GJAARN CC[C@H](C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)n1sc2ccccc2c1=O ZINC000020467410 207196943 /nfs/dbraw/zinc/19/69/43/207196943.db2.gz IPIRJGMWXZNPSQ-ADXSQNEQSA-N 0 0 398.572 4.735 50 0 GJAARN Cc1ccc([C@H](CC(=O)N2CCc3ccccc32)N2Cc3ccccc3C2=O)cc1 ZINC000020561817 207203632 /nfs/dbraw/zinc/20/36/32/207203632.db2.gz ZOUVQIZPCWTIGQ-DEOSSOPVSA-N 0 0 396.490 4.672 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1O ZINC000020851437 207215095 /nfs/dbraw/zinc/21/50/95/207215095.db2.gz JZTWOIIJMZTFDH-AWEZNQCLSA-N 0 0 398.256 4.791 50 0 GJAARN COc1cccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c1OCc1ccc(C)cc1 ZINC000020873984 207216678 /nfs/dbraw/zinc/21/66/78/207216678.db2.gz UOHVKMYNSHJROK-UHFFFAOYSA-N 0 0 391.467 4.571 50 0 GJAARN CCc1ccccc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1-n1cccc1 ZINC000020864759 207216835 /nfs/dbraw/zinc/21/68/35/207216835.db2.gz WIGJQZHTWOUQAF-UHFFFAOYSA-N 0 0 399.498 4.856 50 0 GJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(C)c1)SCC(=O)N2 ZINC000020891752 207217523 /nfs/dbraw/zinc/21/75/23/207217523.db2.gz LWIBGCXMOHZETP-IBGZPJMESA-N 0 0 383.904 4.917 50 0 GJAARN CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccccc3Cl)sc2C1 ZINC000020897443 207217566 /nfs/dbraw/zinc/21/75/66/207217566.db2.gz BFTSKTMUKBXEIG-LBPRGKRZSA-N 0 0 378.925 4.965 50 0 GJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2cccc(Cl)c2)cc1 ZINC000020892169 207218158 /nfs/dbraw/zinc/21/81/58/207218158.db2.gz CEHZDKDWPJSCRD-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(F)ccc1F)SCC(=O)N2 ZINC000020892018 207218471 /nfs/dbraw/zinc/21/84/71/207218471.db2.gz KHPKSQAHSDCUPS-IBGZPJMESA-N 0 0 385.439 4.542 50 0 GJAARN CCc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 ZINC000020891810 207218634 /nfs/dbraw/zinc/21/86/34/207218634.db2.gz NGKYSDFISOCJAO-HXUWFJFHSA-N 0 0 381.476 4.657 50 0 GJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccc(C)cc3)c12 ZINC000020943358 207221449 /nfs/dbraw/zinc/22/14/49/207221449.db2.gz ZIZVCSMZPUQBHD-UHFFFAOYSA-N 0 0 396.494 4.845 50 0 GJAARN CCOc1ccccc1NC(=O)C[C@@H](c1cccc(OC)c1OC)n1cccc1 ZINC000020997815 207223728 /nfs/dbraw/zinc/22/37/28/207223728.db2.gz RXTADPACAAMRSW-IBGZPJMESA-N 0 0 394.471 4.522 50 0 GJAARN Cc1c(C[NH2+]CCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025588 207224106 /nfs/dbraw/zinc/22/41/06/207224106.db2.gz MFTNDJMJADTYLV-UHFFFAOYSA-N 0 0 376.500 4.741 50 0 GJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018789 207224221 /nfs/dbraw/zinc/22/42/21/207224221.db2.gz BUJXYDTWZLZQBR-FQEVSTJZSA-N 0 0 376.843 4.550 50 0 GJAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CC[C@@H](c2ccccc2)C1 ZINC000021103719 207225388 /nfs/dbraw/zinc/22/53/88/207225388.db2.gz NTJVDMRACQUMGO-MRXNPFEDSA-N 0 0 382.847 4.776 50 0 GJAARN Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1Cl ZINC000021095735 207225830 /nfs/dbraw/zinc/22/58/30/207225830.db2.gz WSQFMLDGFSNYQH-UHFFFAOYSA-N 0 0 378.653 4.825 50 0 GJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccccc2Cl)cc1 ZINC000021106759 207225840 /nfs/dbraw/zinc/22/58/40/207225840.db2.gz DLPQQSRJKWNLTN-FQEVSTJZSA-N 0 0 379.847 4.510 50 0 GJAARN Cc1ccc([C@@H]2CCCN2C(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)cc1 ZINC000021150709 207227373 /nfs/dbraw/zinc/22/73/73/207227373.db2.gz SJCGVJAZVGPGRM-SFHVURJKSA-N 0 0 396.441 4.830 50 0 GJAARN CCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CCCCC2)cc1 ZINC000021158443 207227504 /nfs/dbraw/zinc/22/75/04/207227504.db2.gz KARICNJJRLSZLU-UHFFFAOYSA-N 0 0 390.483 4.863 50 0 GJAARN CC(=O)N1N=C([C@@H](C)Sc2nc3ccccc3s2)O[C@@H]1c1ccc(C)cc1 ZINC000021151717 207227578 /nfs/dbraw/zinc/22/75/78/207227578.db2.gz FIHZTVWBKPBVRJ-BFUOFWGJSA-N 0 0 397.525 4.976 50 0 GJAARN O=C(CCn1cnc2sccc2c1=O)Oc1ccc(C2CCCCC2)cc1 ZINC000021434623 207229550 /nfs/dbraw/zinc/22/95/50/207229550.db2.gz LDEUTJAPOGIWLF-UHFFFAOYSA-N 0 0 382.485 4.501 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2Cc2ccccc2)cc1 ZINC000021643518 207234255 /nfs/dbraw/zinc/23/42/55/207234255.db2.gz SGJSFQPNRKNFEC-JOCHJYFZSA-N 0 0 375.472 4.718 50 0 GJAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NCCc1ccccc1 ZINC000021656584 207234288 /nfs/dbraw/zinc/23/42/88/207234288.db2.gz CELBIOXFWKKLPM-UHFFFAOYSA-N 0 0 387.508 4.638 50 0 GJAARN COCc1cc(C)nc2sc3c(c21)NCN(c1ccc(C)c(Cl)c1)C3=O ZINC000021788792 207237818 /nfs/dbraw/zinc/23/78/18/207237818.db2.gz VIMVFJNMVDSVLH-UHFFFAOYSA-N 0 0 387.892 4.743 50 0 GJAARN COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)on2)c1 ZINC000021790784 207238023 /nfs/dbraw/zinc/23/80/23/207238023.db2.gz FXVMGECEMQAHJJ-LJQANCHMSA-N 0 0 382.847 4.981 50 0 GJAARN CC(C)NC(=O)c1cccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)c1 ZINC000021884807 207240722 /nfs/dbraw/zinc/24/07/22/207240722.db2.gz JTJNBUFDKKOEBR-UHFFFAOYSA-N 0 0 380.835 4.677 50 0 GJAARN COc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C)cc1OC ZINC000021890396 207241221 /nfs/dbraw/zinc/24/12/21/207241221.db2.gz HITCNWFXFLZMDQ-HNNXBMFYSA-N 0 0 377.444 4.603 50 0 GJAARN COc1ccc(CN2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc1O ZINC000022078012 207247032 /nfs/dbraw/zinc/24/70/32/207247032.db2.gz NRYRZMSEIXKEEC-NRFANRHFSA-N 0 0 376.500 4.947 50 0 GJAARN COc1ccc(CN2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc1O ZINC000022078015 207247124 /nfs/dbraw/zinc/24/71/24/207247124.db2.gz NRYRZMSEIXKEEC-OAQYLSRUSA-N 0 0 376.500 4.947 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000022130803 207247682 /nfs/dbraw/zinc/24/76/82/207247682.db2.gz FFNJNQRJGGLANL-HSZRJFAPSA-N 0 0 384.435 4.610 50 0 GJAARN CCOC(=O)CCC(=O)Nc1sc([C@@H](C)CC(C)(C)C)cc1C(=O)OCC ZINC000022330082 207252567 /nfs/dbraw/zinc/25/25/67/207252567.db2.gz PLPWPRCLHNAGGJ-ZDUSSCGKSA-N 0 0 397.537 4.746 50 0 GJAARN O=C(c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1)N1CCCCC1 ZINC000021922627 207242628 /nfs/dbraw/zinc/24/26/28/207242628.db2.gz AFFVJPCDVPHROW-UHFFFAOYSA-N 0 0 382.467 4.689 50 0 GJAARN COc1cccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)c1 ZINC000021944898 207243087 /nfs/dbraw/zinc/24/30/87/207243087.db2.gz LDJIVBXNTYHEQA-UHFFFAOYSA-N 0 0 387.414 4.939 50 0 GJAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 ZINC000022481240 207255613 /nfs/dbraw/zinc/25/56/13/207255613.db2.gz SWSSCUICKVXPNN-FQEVSTJZSA-N 0 0 386.499 4.561 50 0 GJAARN CCCN(CCC)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1 ZINC000022650944 207257856 /nfs/dbraw/zinc/25/78/56/207257856.db2.gz ZDADIVYDDPRAFV-UHFFFAOYSA-N 0 0 377.506 4.703 50 0 GJAARN CCc1nc2ccc(C(=O)Nc3cc(OC)c(OC)cc3Cl)cc2nc1CC ZINC000023054185 207268326 /nfs/dbraw/zinc/26/83/26/207268326.db2.gz BNOFNIRXSWMZRV-UHFFFAOYSA-N 0 0 399.878 4.678 50 0 GJAARN COc1ccc2c(c1)-c1sc(C(=O)N(C)CCc3ccccc3)cc1CC2 ZINC000023320579 207272945 /nfs/dbraw/zinc/27/29/45/207272945.db2.gz YKEUMPOLMYNLNF-UHFFFAOYSA-N 0 0 377.509 4.837 50 0 GJAARN CCCN(CC)C(=O)c1ccc(-c2[nH]nc3c2CCc2cc(OC)ccc2-3)cc1 ZINC000023321007 207273858 /nfs/dbraw/zinc/27/38/58/207273858.db2.gz BMEKSCFZQXNQDC-UHFFFAOYSA-N 0 0 389.499 4.723 50 0 GJAARN CCCCc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)s1 ZINC000023362432 207275394 /nfs/dbraw/zinc/27/53/94/207275394.db2.gz VLFFPQFTYNDLDD-UHFFFAOYSA-N 0 0 389.484 4.743 50 0 GJAARN COc1ccccc1Oc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 ZINC000023008501 207267777 /nfs/dbraw/zinc/26/77/77/207267777.db2.gz PJOCBWZDKDXWQR-UHFFFAOYSA-N 0 0 386.407 4.581 50 0 GJAARN Cc1nn(C)c2ncc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc12 ZINC000024032637 207286123 /nfs/dbraw/zinc/28/61/23/207286123.db2.gz CRWDIKCXBSROTA-HXUWFJFHSA-N 0 0 388.496 4.749 50 0 GJAARN Cc1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)n1 ZINC000024983808 207298743 /nfs/dbraw/zinc/29/87/43/207298743.db2.gz VRRLVKPPVRGXMX-UHFFFAOYSA-N 0 0 380.757 4.500 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(F)cc2)s1 ZINC000024355703 207290930 /nfs/dbraw/zinc/29/09/30/207290930.db2.gz VAOAVRYJHSDSKM-ZROIWOOFSA-N 0 0 377.803 4.806 50 0 GJAARN C[C@H]1Sc2ccc(C(=O)N3CC[C@@H](C)Sc4ccccc43)cc2NC1=O ZINC000024584836 207291260 /nfs/dbraw/zinc/29/12/60/207291260.db2.gz CRUVAIRCCBPSNP-CHWSQXEVSA-N 0 0 384.526 4.650 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000024594731 207292227 /nfs/dbraw/zinc/29/22/27/207292227.db2.gz DYYANOIMZUYWRP-UHFFFAOYSA-N 0 0 384.863 4.722 50 0 GJAARN O=C(CCc1cccnc1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000024640259 207293117 /nfs/dbraw/zinc/29/31/17/207293117.db2.gz GMGDQXMFDCRTAT-UHFFFAOYSA-N 0 0 379.847 4.559 50 0 GJAARN C[C@@H](Sc1nncn1C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000024746199 207294236 /nfs/dbraw/zinc/29/42/36/207294236.db2.gz VZDFHXDYVRCLHK-CYBMUJFWSA-N 0 0 383.908 4.720 50 0 GJAARN C[C@H](NCc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000024808406 207296515 /nfs/dbraw/zinc/29/65/15/207296515.db2.gz QHXVDKWIGKJOEM-JTQLQIEISA-N 0 0 388.254 4.827 50 0 GJAARN O=C(Nc1ccncc1)c1cccnc1Sc1ccc(Br)cc1 ZINC000024968956 207297035 /nfs/dbraw/zinc/29/70/35/207297035.db2.gz RPYCFQCKTJTBEG-UHFFFAOYSA-N 0 0 386.274 4.643 50 0 GJAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000025957419 207307623 /nfs/dbraw/zinc/30/76/23/207307623.db2.gz CFYLESQPMKEPLL-DEOSSOPVSA-N 0 0 399.490 4.503 50 0 GJAARN CCCCCc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000025805065 207307758 /nfs/dbraw/zinc/30/77/58/207307758.db2.gz LAOKYOVXHJYPCN-NRFANRHFSA-N 0 0 380.488 4.789 50 0 GJAARN Cc1nc(C)c(-c2nnc(SCc3coc(-c4cccc(F)c4)n3)o2)s1 ZINC000026127321 207310193 /nfs/dbraw/zinc/31/01/93/207310193.db2.gz DWWLCAKDXCXXPD-UHFFFAOYSA-N 0 0 388.449 4.896 50 0 GJAARN Cc1oc(-c2cccs2)nc1CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000026653824 207318186 /nfs/dbraw/zinc/31/81/86/207318186.db2.gz XFIOFGREONGCOV-UHFFFAOYSA-N 0 0 380.513 4.882 50 0 GJAARN O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000027016290 207322702 /nfs/dbraw/zinc/32/27/02/207322702.db2.gz CETLDIVUOHMAQE-AWEZNQCLSA-N 0 0 384.134 4.642 50 0 GJAARN CCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000027789108 207330080 /nfs/dbraw/zinc/33/00/80/207330080.db2.gz SZUIQDKBJDHODX-SFHVURJKSA-N 0 0 379.479 4.882 50 0 GJAARN COc1ccc(-c2nc(CCNC(=O)c3ccc(OC(C)C)cc3)cs2)cc1 ZINC000027994604 207332852 /nfs/dbraw/zinc/33/28/52/207332852.db2.gz JNZPDUFAFQGMMB-UHFFFAOYSA-N 0 0 396.512 4.578 50 0 GJAARN CCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027662185 207328863 /nfs/dbraw/zinc/32/88/63/207328863.db2.gz BSWSKCMQIXIINZ-HXUWFJFHSA-N 0 0 386.923 4.696 50 0 GJAARN CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 ZINC000027664505 207329076 /nfs/dbraw/zinc/32/90/76/207329076.db2.gz UUQXPUIKCGLFEU-NRFANRHFSA-N 0 0 386.923 4.696 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4)on3)sc2c1 ZINC000027662627 207329103 /nfs/dbraw/zinc/32/91/03/207329103.db2.gz DVVXBQZPHQMDII-UHFFFAOYSA-N 0 0 379.441 4.911 50 0 GJAARN CC(C)(C)n1nc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1C1CC1 ZINC000040134971 207345513 /nfs/dbraw/zinc/34/55/13/207345513.db2.gz ZEHBMPAOBYIUTC-UHFFFAOYSA-N 0 0 381.398 4.709 50 0 GJAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC000040058732 207335739 /nfs/dbraw/zinc/33/57/39/207335739.db2.gz IXSBQLWMCZKEBN-UHFFFAOYSA-N 0 0 398.478 4.906 50 0 GJAARN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000040086871 207338438 /nfs/dbraw/zinc/33/84/38/207338438.db2.gz GCHJQEWKCUXELX-FCHUYYIVSA-N 0 0 398.591 4.579 50 0 GJAARN Cc1ccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1C ZINC000028292929 207339435 /nfs/dbraw/zinc/33/94/35/207339435.db2.gz XIEVCMKBFBTAOH-UHFFFAOYSA-N 0 0 380.875 4.964 50 0 GJAARN C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Br)cc4)no3)ccc2O1 ZINC000028286933 207339596 /nfs/dbraw/zinc/33/95/96/207339596.db2.gz YWJDVQWYLASFEW-NSHDSACASA-N 0 0 399.244 4.680 50 0 GJAARN CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N(C)C)cc3C)c12 ZINC000040111717 207341591 /nfs/dbraw/zinc/34/15/91/207341591.db2.gz MEBWZMMSGSRTKW-UHFFFAOYSA-N 0 0 378.476 4.679 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)COCc3nc4ccccc4s3)n2)cc1 ZINC000029152207 207358966 /nfs/dbraw/zinc/35/89/66/207358966.db2.gz LSHYNAUEXDHKSG-UHFFFAOYSA-N 0 0 395.509 4.884 50 0 GJAARN Cc1csc(N(CC(F)(F)F)C(=O)c2cc(F)ccc2Br)n1 ZINC000040157893 207358982 /nfs/dbraw/zinc/35/89/82/207358982.db2.gz JMWRHPOKHPQSDZ-UHFFFAOYSA-N 0 0 397.191 4.562 50 0 GJAARN O=C(CSCc1ccc(Cl)s1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000029713587 207365051 /nfs/dbraw/zinc/36/50/51/207365051.db2.gz IBNWWBWOPUUGQW-IBGZPJMESA-N 0 0 388.945 4.936 50 0 GJAARN COC(=O)c1sc2nc(C)nc(N[C@H](c3ccc(OC)cc3)C3CC3)c2c1C ZINC000030767398 207374006 /nfs/dbraw/zinc/37/40/06/207374006.db2.gz GWXKKIZHDYITSO-KRWDZBQOSA-N 0 0 397.500 4.667 50 0 GJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccccc1N1CCCCCC1 ZINC000030994805 207380306 /nfs/dbraw/zinc/38/03/06/207380306.db2.gz ARULDNMXYGLWSN-LJQANCHMSA-N 0 0 391.515 4.597 50 0 GJAARN COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1C ZINC000031296774 207382168 /nfs/dbraw/zinc/38/21/68/207382168.db2.gz ZUZBHPGJQKHXAQ-UHFFFAOYSA-N 0 0 378.428 4.771 50 0 GJAARN CCCCCc1nnc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)s1 ZINC000031276573 207382672 /nfs/dbraw/zinc/38/26/72/207382672.db2.gz OJSSBINNACBIBS-UHFFFAOYSA-N 0 0 376.507 4.856 50 0 GJAARN Cc1nc(-c2ccc(CC(=O)Nc3ccnn3Cc3ccccc3)cc2)cs1 ZINC000031884635 207387911 /nfs/dbraw/zinc/38/79/11/207387911.db2.gz RJRLOSQYKRORSI-UHFFFAOYSA-N 0 0 388.496 4.545 50 0 GJAARN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(F)c(F)cc1Cl ZINC000031961050 207388227 /nfs/dbraw/zinc/38/82/27/207388227.db2.gz HSXOKCRJCRAYCT-UHFFFAOYSA-N 0 0 399.846 4.587 50 0 GJAARN O=C(CCc1cccs1)Nc1cc(Br)ccc1Br ZINC000031950555 207389447 /nfs/dbraw/zinc/38/94/47/207389447.db2.gz BHYLWKIEIYGFRL-UHFFFAOYSA-N 0 0 389.112 4.844 50 0 GJAARN O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@@H]1c1ccccc1 ZINC000032883788 207416458 /nfs/dbraw/zinc/41/64/58/207416458.db2.gz UZEDPSXMNAWIFU-OAQYLSRUSA-N 0 0 392.886 4.527 50 0 GJAARN Cc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000032754139 207405361 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CC(C)CCNC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261188 207445767 /nfs/dbraw/zinc/44/57/67/207445767.db2.gz BQRGQOSHJNJNRJ-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN CCc1ccc(CNC(=O)CSc2nccnc2Sc2ccccc2)cc1 ZINC000033288917 207448980 /nfs/dbraw/zinc/44/89/80/207448980.db2.gz YLXVRPVKNSHJCR-UHFFFAOYSA-N 0 0 395.553 4.599 50 0 GJAARN O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1ccoc1 ZINC000033307408 207451903 /nfs/dbraw/zinc/45/19/03/207451903.db2.gz ZLSSPIRBQUHBFZ-UHFFFAOYSA-N 0 0 395.802 4.814 50 0 GJAARN Cc1ccc(NC(=O)c2nc(CCc3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000034911584 207479712 /nfs/dbraw/zinc/47/97/12/207479712.db2.gz PGRNGEMUOHFNIQ-UHFFFAOYSA-N 0 0 382.467 4.613 50 0 GJAARN O=C(C1CC1)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3s2)CC1 ZINC000069968894 207486133 /nfs/dbraw/zinc/48/61/33/207486133.db2.gz DJZGBSMOSPFTAI-IBGZPJMESA-N 0 0 383.561 4.694 50 0 GJAARN Nc1c2c(nn1-c1ccccc1)nc(NCC1CC1)nc2-c1ccccc1Cl ZINC000035929682 207504539 /nfs/dbraw/zinc/50/45/39/207504539.db2.gz 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CCOc1ccc(Nc2nnc(-c3nc(-c4ccccc4)oc3N)s2)cc1 ZINC000096346491 208309983 /nfs/dbraw/zinc/30/99/83/208309983.db2.gz PQYWWDWTCQNUGS-UHFFFAOYSA-N 0 0 379.445 4.585 50 0 GJAARN O=C(Nc1ccc(F)cc1)Nc1cccc(-c2nccnc2N2CCCC2)c1 ZINC000096386546 208311647 /nfs/dbraw/zinc/31/16/47/208311647.db2.gz YYVFWWANVOZLGH-UHFFFAOYSA-N 0 0 377.423 4.527 50 0 GJAARN CCn1c(-c2cc(NC(=O)CCC3CCCC3)n[nH]2)cc2c1cccc2OC ZINC000096398628 208313523 /nfs/dbraw/zinc/31/35/23/208313523.db2.gz DGLARXSCWXECHZ-UHFFFAOYSA-N 0 0 380.492 4.969 50 0 GJAARN CC(C)CNC(=O)c1cc2cc(NC(=O)C(C)C)ccc2n1Cc1ccccc1 ZINC000096275195 208299937 /nfs/dbraw/zinc/29/99/37/208299937.db2.gz DHEHIBYVBMFISB-UHFFFAOYSA-N 0 0 391.515 4.670 50 0 GJAARN O=C(c1cccs1)N(CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000096277725 208300806 /nfs/dbraw/zinc/30/08/06/208300806.db2.gz OVUGPPSBMOAEKU-UHFFFAOYSA-N 0 0 389.480 4.683 50 0 GJAARN CC(C)CN(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccs1 ZINC000096276163 208301224 /nfs/dbraw/zinc/30/12/24/208301224.db2.gz QGTAGJPQNUDVDB-UHFFFAOYSA-N 0 0 389.908 4.792 50 0 GJAARN CC[C@@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccc(C)cc1 ZINC000096293458 208303796 /nfs/dbraw/zinc/30/37/96/208303796.db2.gz NEEWNEFJXUDKSV-QGZVFWFLSA-N 0 0 393.487 4.537 50 0 GJAARN Cc1ccc(-c2noc(CCN(C(=O)C3CCC3)[C@H](C)c3ccccc3)n2)cc1 ZINC000096292986 208304404 /nfs/dbraw/zinc/30/44/04/208304404.db2.gz VNHZKHUETYRYJO-GOSISDBHSA-N 0 0 389.499 4.977 50 0 GJAARN COc1cc(/C=C\C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC ZINC000096996587 208333150 /nfs/dbraw/zinc/33/31/50/208333150.db2.gz TWHHINMRERHSLR-JQPIKURYSA-N 0 0 395.455 4.691 50 0 GJAARN Fc1ccccc1-c1noc(-c2ncn3c2CO[C@H](c2ccccc2Cl)C3)n1 ZINC000097077923 208336733 /nfs/dbraw/zinc/33/67/33/208336733.db2.gz RGWYRSSVLKIILN-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN COc1cc(OC)c(OC)cc1/C=C\C(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000097152400 208339927 /nfs/dbraw/zinc/33/99/27/208339927.db2.gz XOZUIYGHJIDIRK-QJRAZLAKSA-N 0 0 389.517 4.691 50 0 GJAARN O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000097212379 208343781 /nfs/dbraw/zinc/34/37/81/208343781.db2.gz RHSCKMQKTDWJCS-WFASDCNBSA-N 0 0 379.382 4.550 50 0 GJAARN O=C(/C=C\c1ccc(F)cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000096545287 208319004 /nfs/dbraw/zinc/31/90/04/208319004.db2.gz UEWATHKWEAPEHA-BASWHVEKSA-N 0 0 397.837 4.734 50 0 GJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C\c2cccc(OC)c2)cc1 ZINC000096828919 208323950 /nfs/dbraw/zinc/32/39/50/208323950.db2.gz FBXGIAWPJYLSAT-YPKPFQOOSA-N 0 0 386.495 4.895 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)/C=C\c2c(F)cccc2Cl)c(OC)c1 ZINC000096891846 208325015 /nfs/dbraw/zinc/32/50/15/208325015.db2.gz MTUUBUARJZQDLI-GDWUOILNSA-N 0 0 389.854 4.873 50 0 GJAARN Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CCC[C@H]3c3cccs3)c2C)no1 ZINC000096851178 208325104 /nfs/dbraw/zinc/32/51/04/208325104.db2.gz CLYNJFJBQMMKSO-GIFJBRJJSA-N 0 0 381.501 4.829 50 0 GJAARN Cc1nnc([C@@H]2CCCN(C(=O)Nc3cccc(-c4ccc(C)cc4)c3)C2)[nH]1 ZINC000097575097 208356041 /nfs/dbraw/zinc/35/60/41/208356041.db2.gz RAYRWJRIAABQQJ-LJQANCHMSA-N 0 0 375.476 4.500 50 0 GJAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)on1 ZINC000097636674 208358940 /nfs/dbraw/zinc/35/89/40/208358940.db2.gz TZCHODLGVBBWSP-GOSISDBHSA-N 0 0 379.464 4.661 50 0 GJAARN COc1cc(/C=C\C(=O)Nc2ccnn2C2CCCCC2)cc(Cl)c1OC ZINC000098053381 208367520 /nfs/dbraw/zinc/36/75/20/208367520.db2.gz VPADEOOYKFLUJE-HJWRWDBZSA-N 0 0 389.883 4.711 50 0 GJAARN Cc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccccc3Cl)n2)cc1 ZINC000098212194 208369183 /nfs/dbraw/zinc/36/91/83/208369183.db2.gz CMRHBNJZCROIMO-GOSISDBHSA-N 0 0 381.863 4.605 50 0 GJAARN COc1cc(OC)c(OC)cc1C[C@H]1c2ccccc2N(c2ccccc2)C1=O ZINC000101014924 208385361 /nfs/dbraw/zinc/38/53/61/208385361.db2.gz CRMSBZSUTVEIEX-IBGZPJMESA-N 0 0 389.451 4.717 50 0 GJAARN O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000100523099 208376242 /nfs/dbraw/zinc/37/62/42/208376242.db2.gz PAXQRNUAUHOIED-AWEZNQCLSA-N 0 0 396.693 4.527 50 0 GJAARN O=C(CN1CCCCC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000003218126 208508617 /nfs/dbraw/zinc/50/86/17/208508617.db2.gz WWHNPYHAPGJOIR-UHFFFAOYSA-N 0 0 377.513 4.902 50 0 GJAARN CCOC(=O)/C(=C/OCCOc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000002146609 208501101 /nfs/dbraw/zinc/50/11/01/208501101.db2.gz ZPLRPZVWZCGVQE-DTQAZKPQSA-N 0 0 381.255 4.993 50 0 GJAARN CCOc1ccc(-n2c(SCc3ccccc3)nc3c(c2=O)SCC3)cc1 ZINC000002719909 208504786 /nfs/dbraw/zinc/50/47/86/208504786.db2.gz CJZILUFVXGLMGZ-UHFFFAOYSA-N 0 0 396.537 4.572 50 0 GJAARN CCCCN(CCCC)C(=O)NCCCCNC(=O)N(CCCC)CCCC ZINC000004462505 208545410 /nfs/dbraw/zinc/54/54/10/208545410.db2.gz GWTJAPNRLPUZST-UHFFFAOYSA-N 0 0 398.636 4.990 50 0 GJAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)[C@@H]1C ZINC000004863717 208546641 /nfs/dbraw/zinc/54/66/41/208546641.db2.gz VJYHHKMHISXAIU-MDZRGWNJSA-N 0 0 391.939 4.636 50 0 GJAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2OCC)cc1 ZINC000005236246 208668168 /nfs/dbraw/zinc/66/81/68/208668168.db2.gz AMEAGTGAVCPYLD-UHFFFAOYSA-N 0 0 399.487 4.840 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)/C=C/c2ccco2)c2ccccc2)c1 ZINC000006932533 208684367 /nfs/dbraw/zinc/68/43/67/208684367.db2.gz CSUMRKPSAVSIPY-NEQMZLFVSA-N 0 0 375.424 4.833 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000006839883 208685013 /nfs/dbraw/zinc/68/50/13/208685013.db2.gz NEMGQTMCEYKHTF-UHFFFAOYSA-N 0 0 399.450 4.809 50 0 GJAARN Cc1ccc(F)cc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000007318856 208686736 /nfs/dbraw/zinc/68/67/36/208686736.db2.gz QBDDHKQDTKJJBT-UHFFFAOYSA-N 0 0 375.403 4.613 50 0 GJAARN CCCOc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000007799841 208690356 /nfs/dbraw/zinc/69/03/56/208690356.db2.gz DHTNRGKOQBCKFZ-UHFFFAOYSA-N 0 0 395.484 4.810 50 0 GJAARN Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(SC(F)(F)F)cc2)c1C ZINC000007965001 208691510 /nfs/dbraw/zinc/69/15/10/208691510.db2.gz IYWRDFBYKYEKSY-UHFFFAOYSA-N 0 0 396.434 4.626 50 0 GJAARN CCN(Cc1ccc(OC)c(F)c1)c1nc(C(F)(F)F)nc2ccccc21 ZINC000007989566 208695380 /nfs/dbraw/zinc/69/53/80/208695380.db2.gz RBIMQWMRRMBAKW-UHFFFAOYSA-N 0 0 379.357 4.823 50 0 GJAARN O=C(COC(=O)c1ccc(Cl)nc1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000007985454 208695580 /nfs/dbraw/zinc/69/55/80/208695580.db2.gz ZBPCRLXIXGAWHN-UHFFFAOYSA-N 0 0 390.826 4.923 50 0 GJAARN O=C(Nc1cccc(I)c1)c1ccc(C(F)(F)F)cc1 ZINC000002652005 208714007 /nfs/dbraw/zinc/71/40/07/208714007.db2.gz MJCOFJUNPIIFAU-UHFFFAOYSA-N 0 0 391.130 4.562 50 0 GJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(Br)c1 ZINC000000633482 208706482 /nfs/dbraw/zinc/70/64/82/208706482.db2.gz QNIXSKQGAQGNQT-UHFFFAOYSA-N 0 0 377.238 4.964 50 0 GJAARN CCc1nnc(NC(=O)CSc2c3ccccc3[nH]c2-c2ccccc2)s1 ZINC000006169049 208722873 /nfs/dbraw/zinc/72/28/73/208722873.db2.gz WJDHDJMYXPDRKX-UHFFFAOYSA-N 0 0 394.525 4.980 50 0 GJAARN O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000053821545 208794958 /nfs/dbraw/zinc/79/49/58/208794958.db2.gz OWZOAFGSQYAMKI-UHFFFAOYSA-N 0 0 390.414 4.680 50 0 GJAARN CC[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000013330163 208783919 /nfs/dbraw/zinc/78/39/19/208783919.db2.gz UOTADVLIAUOWAA-LLVKDONJSA-N 0 0 394.743 4.594 50 0 GJAARN COc1cc(SC)c(OC)cc1CN1CCCC[C@@H]1c1nc(C(C)C)no1 ZINC000215465867 208818297 /nfs/dbraw/zinc/81/82/97/208818297.db2.gz XDYPUFHGIHLFEA-OAHLLOKOSA-N 0 0 391.537 4.659 50 0 GJAARN C[C@@H]1CCc2nc3sc(C(=O)Nc4cccc5ncccc54)c(N)c3cc2C1 ZINC000215673965 208820531 /nfs/dbraw/zinc/82/05/31/208820531.db2.gz LOGDSJBOGRMNFX-GFCCVEGCSA-N 0 0 388.496 4.804 50 0 GJAARN COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)CC2)c(OC)c1 ZINC000022186234 208834986 /nfs/dbraw/zinc/83/49/86/208834986.db2.gz FYPXXRAFUKYFSJ-AVRDEDQJSA-N 0 0 399.531 4.567 50 0 GJAARN Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 ZINC000000812972 220459473 /nfs/dbraw/zinc/45/94/73/220459473.db2.gz CAEWZLBCMYMRAL-UHFFFAOYSA-N 0 0 393.299 4.520 50 0 GJAARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCC)cc1 ZINC000000817551 220459701 /nfs/dbraw/zinc/45/97/01/220459701.db2.gz FVXQLMBYCDBRNG-RCCKNPSSSA-N 0 0 391.467 4.661 50 0 GJAARN CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000000952099 220469792 /nfs/dbraw/zinc/46/97/92/220469792.db2.gz SQFXZXHICMSJRJ-ONNFQVAWSA-N 0 0 394.254 4.587 50 0 GJAARN O=C(NC1CCCCC1)[C@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 ZINC000223244797 208895454 /nfs/dbraw/zinc/89/54/54/208895454.db2.gz VVYNOTLPOWYDAM-MRXNPFEDSA-N 0 0 395.450 4.778 50 0 GJAARN O=C1[C@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)N1c1cccc2ccccc21 ZINC000002268091 220515889 /nfs/dbraw/zinc/51/58/89/220515889.db2.gz OTPTYRJAUBCJOA-QUCCMNQESA-N 0 0 378.428 4.562 50 0 GJAARN Cc1cccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002257909 220516317 /nfs/dbraw/zinc/51/63/17/220516317.db2.gz JXLBGRBHADPPGY-UHFFFAOYSA-N 0 0 388.471 4.667 50 0 GJAARN CC(C)(C)NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000002274322 220517172 /nfs/dbraw/zinc/51/71/72/220517172.db2.gz VAGKEGGTJRARII-UHFFFAOYSA-N 0 0 396.800 4.597 50 0 GJAARN CC(C)Oc1cccc(-c2nnc(SCc3cccc4ccccc43)n2N)c1 ZINC000002371034 220527450 /nfs/dbraw/zinc/52/74/50/220527450.db2.gz LDXCNYDCJJGYJR-UHFFFAOYSA-N 0 0 390.512 4.892 50 0 GJAARN Cc1ccc(CSc2nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o2)cc1 ZINC000002376030 220527716 /nfs/dbraw/zinc/52/77/16/220527716.db2.gz VAVPTWNEVASLAL-HNNXBMFYSA-N 0 0 377.510 4.892 50 0 GJAARN CCSc1nc2sc3c(c2c(NC[C@H]2CCCO2)n1)C[C@@](C)(CC)OC3 ZINC000002410989 220531533 /nfs/dbraw/zinc/53/15/33/220531533.db2.gz MXLBJTPQFOXVDV-CWTRNNRKSA-N 0 0 393.578 4.636 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1ccccc1Br ZINC000028226498 208940305 /nfs/dbraw/zinc/94/03/05/208940305.db2.gz QLFHXHOJVPMBGI-UHFFFAOYSA-N 0 0 398.304 4.871 50 0 GJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(C(C)C)cc4)sc3nc12 ZINC000002466973 220537710 /nfs/dbraw/zinc/53/77/10/220537710.db2.gz DKQMXFITNSDPNJ-UHFFFAOYSA-N 0 0 377.469 4.593 50 0 GJAARN CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000028576994 208950584 /nfs/dbraw/zinc/95/05/84/208950584.db2.gz ZZYVZLJAKJYSLV-IBGZPJMESA-N 0 0 377.406 4.668 50 0 GJAARN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000002648692 220548471 /nfs/dbraw/zinc/54/84/71/220548471.db2.gz MJDHBCLHISXVAO-FNORWQNLSA-N 0 0 382.243 4.671 50 0 GJAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C(C)C)c1 ZINC000002696976 220552252 /nfs/dbraw/zinc/55/22/52/220552252.db2.gz AHYVEDAMMXLMFQ-IRXDYDNUSA-N 0 0 381.582 4.855 50 0 GJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1ccncc1 ZINC000002763414 220562599 /nfs/dbraw/zinc/56/25/99/220562599.db2.gz ACIHXZKIEGJYDS-UHFFFAOYSA-N 0 0 375.259 4.502 50 0 GJAARN CCc1ccccc1NC(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000030998572 208984287 /nfs/dbraw/zinc/98/42/87/208984287.db2.gz TWCTUCKTXYDMKZ-UHFFFAOYSA-N 0 0 390.277 4.622 50 0 GJAARN CCO[P@@](=O)(C(NC(=O)c1ccccc1)=C(Cl)Cl)c1ccccc1 ZINC000002694734 220552766 /nfs/dbraw/zinc/55/27/66/220552766.db2.gz OFJAWDNIQTVLPN-XMMPIXPASA-N 0 0 384.199 4.661 50 0 GJAARN O=C(NC1CCCCC1)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725478 220556575 /nfs/dbraw/zinc/55/65/75/220556575.db2.gz VINMMFTVWMDMKI-UHFFFAOYSA-N 0 0 399.196 4.613 50 0 GJAARN Cc1cccc(CSCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002843299 220572980 /nfs/dbraw/zinc/57/29/80/220572980.db2.gz RMSAJGYWHTZFJZ-UHFFFAOYSA-N 0 0 390.357 4.514 50 0 GJAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N4CCCC4)c(=O)oc12)CCCC3 ZINC000062001470 209000841 /nfs/dbraw/zinc/00/08/41/209000841.db2.gz BRILKUNDUMSPQQ-UHFFFAOYSA-N 0 0 393.483 4.590 50 0 biogenic GJAARN O=C(Nc1cccc(-c2nnco2)c1)c1ccc(C2SCCCS2)cc1 ZINC000032777358 208990475 /nfs/dbraw/zinc/99/04/75/208990475.db2.gz DNKYCOUULKNSOO-UHFFFAOYSA-N 0 0 383.498 4.858 50 0 GJAARN O=S(=O)(NCCCCc1ccccc1)c1ccc2oc3ccccc3c2c1 ZINC000002812324 220570715 /nfs/dbraw/zinc/57/07/15/220570715.db2.gz WAHIXRLYFSCSQK-UHFFFAOYSA-N 0 0 379.481 4.887 50 0 GJAARN CCC[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000227154643 208998941 /nfs/dbraw/zinc/99/89/41/208998941.db2.gz FGIOBGPHDJJGJC-AWEZNQCLSA-N 0 0 387.838 4.899 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)cc1Br ZINC000002880188 220579142 /nfs/dbraw/zinc/57/91/42/220579142.db2.gz ARMRWLBXWHMVIF-UHFFFAOYSA-N 0 0 386.648 4.876 50 0 GJAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O ZINC000002965394 220591001 /nfs/dbraw/zinc/59/10/01/220591001.db2.gz HWJWZFHBKOBSQE-KRWDZBQOSA-N 0 0 383.904 4.888 50 0 GJAARN COc1ccc(Oc2nc3ccccc3c3nnc(-c4ccccc4F)n32)cc1 ZINC000003063642 220600682 /nfs/dbraw/zinc/60/06/82/220600682.db2.gz NVFDSULLRHMJQU-UHFFFAOYSA-N 0 0 386.386 4.885 50 0 GJAARN Brc1ccc2c(c1)c1cc(Br)ccc1n2C[C@H]1CO1 ZINC000003128806 220605539 /nfs/dbraw/zinc/60/55/39/220605539.db2.gz DGMRGIDWASSLGY-NSHDSACASA-N 0 0 381.067 4.718 50 0 GJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 ZINC000003229428 220611981 /nfs/dbraw/zinc/61/19/81/220611981.db2.gz ASEQSLNEZRESMS-UHFFFAOYSA-N 0 0 380.827 4.959 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(F)c(F)cc1Cl ZINC000003244799 220613981 /nfs/dbraw/zinc/61/39/81/220613981.db2.gz ZBROKKOICDIZPD-PEBVRCNWSA-N 0 0 388.838 4.779 50 0 GJAARN CCN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000003329341 220628659 /nfs/dbraw/zinc/62/86/59/220628659.db2.gz RNXQKHZTRGUZNB-PKNBQFBNSA-N 0 0 378.255 4.603 50 0 GJAARN Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c(C)c1 ZINC000003360478 220635717 /nfs/dbraw/zinc/63/57/17/220635717.db2.gz MAPXMJIYIOACTA-UHFFFAOYSA-N 0 0 394.540 4.953 50 0 GJAARN CCn1c2ccccc2nc1SCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C ZINC000003378981 220637293 /nfs/dbraw/zinc/63/72/93/220637293.db2.gz USHJAQXSLHPKGR-KRWDZBQOSA-N 0 0 397.544 4.629 50 0 GJAARN FC(F)Sc1ccc(NC(=S)Nc2ccccc2N2CCOCC2)cc1 ZINC000003277848 220620817 /nfs/dbraw/zinc/62/08/17/220620817.db2.gz IUEHKNFCQBFDIW-UHFFFAOYSA-N 0 0 395.500 4.647 50 0 GJAARN COc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2Cl)cc1OC ZINC000003281756 220621132 /nfs/dbraw/zinc/62/11/32/220621132.db2.gz AWAUBGYOHWSKJV-XBXARRHUSA-N 0 0 397.652 4.739 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(SC)cc1OC ZINC000003294699 220622857 /nfs/dbraw/zinc/62/28/57/220622857.db2.gz MDWNBNGHKAIFFC-CQSZACIVSA-N 0 0 387.501 4.726 50 0 GJAARN CCc1ccc2c(CSc3nnc(-c4ccc(F)cc4)n3C)cc(=O)oc2c1 ZINC000003302684 220624846 /nfs/dbraw/zinc/62/48/46/220624846.db2.gz GOCNHWVWZXDLMS-UHFFFAOYSA-N 0 0 395.459 4.582 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)CSc3ncnc4sccc43)n2)cc1 ZINC000003430031 220643663 /nfs/dbraw/zinc/64/36/63/220643663.db2.gz DHMLMRHCZRWQBR-UHFFFAOYSA-N 0 0 398.538 4.854 50 0 GJAARN Cc1sc2nc(-c3cccnc3)nc(N3CCOCC3)c2c1-c1ccccc1 ZINC000003427716 220644170 /nfs/dbraw/zinc/64/41/70/220644170.db2.gz QDVOAJSUDSQJQP-UHFFFAOYSA-N 0 0 388.496 4.565 50 0 GJAARN O=C1CCCC[C@H]1Sc1nnc(Cc2cccs2)n1CCc1ccccc1 ZINC000003504428 220653001 /nfs/dbraw/zinc/65/30/01/220653001.db2.gz HYMVRLWIIVVESI-LJQANCHMSA-N 0 0 397.569 4.777 50 0 GJAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000004133546 220685185 /nfs/dbraw/zinc/68/51/85/220685185.db2.gz ICEKADLMYDOOAN-UDTVLSCZSA-N 0 0 397.302 4.695 50 0 GJAARN CCOc1ccc(C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1 ZINC000004392550 220714382 /nfs/dbraw/zinc/71/43/82/220714382.db2.gz QQTDNPMWZAMLID-UHFFFAOYSA-N 0 0 380.513 4.798 50 0 GJAARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1c(F)cccc1F ZINC000004305470 220703995 /nfs/dbraw/zinc/70/39/95/220703995.db2.gz OAGSYBVKQKZWJH-GOSISDBHSA-N 0 0 384.451 4.560 50 0 GJAARN Cc1ccc(-c2nc(CCNC(=O)COc3ccc(Cl)cc3)cs2)cc1 ZINC000004570777 220732496 /nfs/dbraw/zinc/73/24/96/220732496.db2.gz YJKXZDPYKCBMKI-UHFFFAOYSA-N 0 0 386.904 4.510 50 0 GJAARN Cc1sc2[nH]c([C@@H](C)Sc3ccc4c(c3)OCCCO4)nc(=O)c2c1C ZINC000004485722 220720959 /nfs/dbraw/zinc/72/09/59/220720959.db2.gz LPQVNNUKRQTQMF-GFCCVEGCSA-N 0 0 388.514 4.616 50 0 GJAARN O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1ccccc1F ZINC000004676677 220745646 /nfs/dbraw/zinc/74/56/46/220745646.db2.gz UPBHBKNZZPDLPJ-UHFFFAOYSA-N 0 0 386.492 4.644 50 0 GJAARN O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000004751656 220761628 /nfs/dbraw/zinc/76/16/28/220761628.db2.gz NLCULEHLMWSRCG-UHFFFAOYSA-N 0 0 381.859 4.541 50 0 GJAARN O=C(NCc1ccccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000004771074 220762220 /nfs/dbraw/zinc/76/22/20/220762220.db2.gz ROGBOJPWOZCLQA-UHFFFAOYSA-N 0 0 388.854 4.759 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1 ZINC000004806603 220766804 /nfs/dbraw/zinc/76/68/04/220766804.db2.gz VTYWTNJGUOQNKW-UHFFFAOYSA-N 0 0 376.456 4.876 50 0 GJAARN COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)C(=S)N1C ZINC000004892690 220785000 /nfs/dbraw/zinc/78/50/00/220785000.db2.gz BSQMHEDTDATIHV-DHDCSXOGSA-N 0 0 393.295 4.606 50 0 GJAARN COc1ccc(Cl)cc1N[C@H]1c2ccccc2C(=O)N1c1cc(C)ccn1 ZINC000004900562 220786208 /nfs/dbraw/zinc/78/62/08/220786208.db2.gz UJNYAPGQSHPMMZ-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN CCn1c2ccccc2c2sc(C(=O)NCCc3cccc(C)c3)cc2c1=O ZINC000004939201 220795283 /nfs/dbraw/zinc/79/52/83/220795283.db2.gz FBACZEQOXOJOEN-UHFFFAOYSA-N 0 0 390.508 4.517 50 0 GJAARN O=C(c1ccc(F)cc1)c1cn(Cc2ccccc2F)c2ccc(F)cc2c1=O ZINC000004936938 220795569 /nfs/dbraw/zinc/79/55/69/220795569.db2.gz CDXPTDSUMADCBR-UHFFFAOYSA-N 0 0 393.364 4.698 50 0 GJAARN Cc1ccc([C@H](O)[P@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1 ZINC000005029737 220813685 /nfs/dbraw/zinc/81/36/85/220813685.db2.gz ZMDMYYXWJFSAGA-QFQXNSOFSA-N 0 0 375.449 4.718 50 0 GJAARN Fc1ccc(Cn2cccc2C2=N[C@H](CSCc3ccccc3)CO2)cc1 ZINC000004970384 220802785 /nfs/dbraw/zinc/80/27/85/220802785.db2.gz CUBXRCKXBBZWII-FQEVSTJZSA-N 0 0 380.488 4.754 50 0 GJAARN Cc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000005071217 220826018 /nfs/dbraw/zinc/82/60/18/220826018.db2.gz NOTMUVDRUCTAEP-NRFANRHFSA-N 0 0 397.540 4.558 50 0 GJAARN CCOc1ccccc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000005137279 220834427 /nfs/dbraw/zinc/83/44/27/220834427.db2.gz ZZERQGFJYKIYTP-UHFFFAOYSA-N 0 0 386.904 4.835 50 0 GJAARN Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2)c1 ZINC000005156546 220838421 /nfs/dbraw/zinc/83/84/21/220838421.db2.gz DGWHOJOZQHIWKP-JOCHJYFZSA-N 0 0 396.446 4.863 50 0 GJAARN CCc1ccc(-c2nc(SCC(=O)Nc3c(C)cc(C)cc3C)n[nH]2)cc1 ZINC000005180450 220840698 /nfs/dbraw/zinc/84/06/98/220840698.db2.gz VPLZWPVURHEBAI-UHFFFAOYSA-N 0 0 380.517 4.690 50 0 GJAARN COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005256084 220851710 /nfs/dbraw/zinc/85/17/10/220851710.db2.gz JOLGQZONIAFRHG-FQEVSTJZSA-N 0 0 381.863 4.787 50 0 GJAARN COc1ccc(C)nc1-c1cccc(C(=O)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000299801602 209092464 /nfs/dbraw/zinc/09/24/64/209092464.db2.gz XMXFUZWZZQOFQZ-OAQYLSRUSA-N 0 0 387.483 4.828 50 0 GJAARN O=C(C[S@](=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl ZINC000005249185 220849327 /nfs/dbraw/zinc/84/93/27/220849327.db2.gz AUBZSYNZVZOFKA-XMMPIXPASA-N 0 0 396.217 4.759 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccccc1C(F)(F)F ZINC000005252286 220850005 /nfs/dbraw/zinc/85/00/05/220850005.db2.gz DFVNYZAVMMOHNH-UHFFFAOYSA-N 0 0 388.389 4.647 50 0 GJAARN COc1ccc(CN(Cc2ccco2)C(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000005345686 220859009 /nfs/dbraw/zinc/85/90/09/220859009.db2.gz FNKNSCCYIJYYDV-UHFFFAOYSA-N 0 0 378.403 4.751 50 0 GJAARN O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc3cccc1c32 ZINC000005496796 220876622 /nfs/dbraw/zinc/87/66/22/220876622.db2.gz FTUOFHGOGJGQAB-UHFFFAOYSA-N 0 0 382.371 4.819 50 0 in-vitro GJAARN COc1ccccc1-c1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 ZINC000005500813 220878377 /nfs/dbraw/zinc/87/83/77/220878377.db2.gz VNGNFTANRMIFQY-UHFFFAOYSA-N 0 0 397.500 4.529 50 0 GJAARN Cc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000005562024 220883492 /nfs/dbraw/zinc/88/34/92/220883492.db2.gz FGJQURZMDRRXBK-UHFFFAOYSA-N 0 0 388.496 4.744 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006052017 220916326 /nfs/dbraw/zinc/91/63/26/220916326.db2.gz XSUCAPDJSGHQQE-UHFFFAOYSA-N 0 0 397.950 4.900 50 0 GJAARN O=C(NCCCn1ccc2cccnc21)NC(c1ccccc1)c1ccccc1 ZINC000096353523 209013898 /nfs/dbraw/zinc/01/38/98/209013898.db2.gz LYFOJTRINQTPCB-UHFFFAOYSA-N 0 0 384.483 4.515 50 0 GJAARN O=C(Oc1ccc2c(c1)OCO2)c1cc(-c2cccs2)nc2ccccc21 ZINC000006213116 220924375 /nfs/dbraw/zinc/92/43/75/220924375.db2.gz MRQXKFKNYQTCNO-UHFFFAOYSA-N 0 0 375.405 4.911 50 0 GJAARN CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(OCC)cc3)nc2c1 ZINC000006309569 220928709 /nfs/dbraw/zinc/92/87/09/220928709.db2.gz DYQIURIRVUDDJT-UHFFFAOYSA-N 0 0 383.473 4.507 50 0 GJAARN O=C(NCCc1nc(-c2cccs2)c[nH]1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000096119245 209010637 /nfs/dbraw/zinc/01/06/37/209010637.db2.gz UYNONQPAQDPQBQ-UHFFFAOYSA-N 0 0 399.947 4.962 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2ccco2)on1 ZINC000096096730 209010815 /nfs/dbraw/zinc/01/08/15/209010815.db2.gz FHFXIVPIDDYNEG-UHFFFAOYSA-N 0 0 399.859 4.950 50 0 GJAARN CSc1ccc(CCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1 ZINC000096122532 209012744 /nfs/dbraw/zinc/01/27/44/209012744.db2.gz AHFSOPQXJOHIDB-UHFFFAOYSA-N 0 0 378.497 4.845 50 0 GJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1cc2ccccc2o1 ZINC000006128917 220921876 /nfs/dbraw/zinc/92/18/76/220921876.db2.gz FEGWUPLEFDEMFO-UHFFFAOYSA-N 0 0 375.453 4.866 50 0 GJAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F ZINC000006513778 220938784 /nfs/dbraw/zinc/93/87/84/220938784.db2.gz SPRODBRTJOCBLI-UHFFFAOYSA-N 0 0 376.762 4.625 50 0 GJAARN CO[C@@](C)(CNC(=O)C1(c2cccs2)CCCC1)c1cccc(Cl)c1 ZINC000096392593 209015136 /nfs/dbraw/zinc/01/51/36/209015136.db2.gz GJCWANHXMABOIM-IBGZPJMESA-N 0 0 377.937 4.891 50 0 GJAARN COc1cc2c(cc1OC)CN(C(=O)c1ccccc1Oc1ccccc1)CC2 ZINC000006581628 220942645 /nfs/dbraw/zinc/94/26/45/220942645.db2.gz HQMVCDKVISMYCG-UHFFFAOYSA-N 0 0 389.451 4.695 50 0 GJAARN COc1ccc(-c2noc(COc3cc(Cl)ccc3Cl)n2)c(OC)c1 ZINC000006551693 220940100 /nfs/dbraw/zinc/94/01/00/220940100.db2.gz FKGVLXRWZMOSHG-UHFFFAOYSA-N 0 0 381.215 4.640 50 0 GJAARN C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1Cl)OCCCO3 ZINC000006669686 220950040 /nfs/dbraw/zinc/95/00/40/220950040.db2.gz VYABLCBWXKSCRG-LBPRGKRZSA-N 0 0 392.282 4.914 50 0 GJAARN Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)ccc1Cl ZINC000006747531 220957297 /nfs/dbraw/zinc/95/72/97/220957297.db2.gz RZONENDPRMIWMZ-UHFFFAOYSA-N 0 0 387.838 4.988 50 0 GJAARN CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c1 ZINC000006994066 220981225 /nfs/dbraw/zinc/98/12/25/220981225.db2.gz YPPCDXZDXNSELV-UHFFFAOYSA-N 0 0 387.411 4.607 50 0 GJAARN COc1ccc(C)cc1NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000007000787 220982742 /nfs/dbraw/zinc/98/27/42/220982742.db2.gz VENLMECMLADGSA-UHFFFAOYSA-N 0 0 379.460 4.619 50 0 GJAARN CC[C@H](C(=O)Nc1nnc(SCc2cccc(OC)c2)s1)c1ccccc1 ZINC000006837548 220970179 /nfs/dbraw/zinc/97/01/79/220970179.db2.gz WNRRQWQTCXWPDF-KRWDZBQOSA-N 0 0 399.541 4.971 50 0 GJAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007270692 220992653 /nfs/dbraw/zinc/99/26/53/220992653.db2.gz ISQRNDJBNDUVLT-HXUWFJFHSA-N 0 0 399.560 4.522 50 0 GJAARN CCc1ccc(-c2noc(CSc3nnc(C)n3Cc3ccccc3)n2)cc1 ZINC000007112672 220987481 /nfs/dbraw/zinc/98/74/81/220987481.db2.gz BGIPMNFJQVTFOU-UHFFFAOYSA-N 0 0 391.500 4.540 50 0 GJAARN C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1cc2ccccc2o1 ZINC000007694564 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COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)NC(C)C)cc1 ZINC000009224544 221074863 /nfs/dbraw/zinc/07/48/63/221074863.db2.gz REGVAEXRMJQRFT-NRFANRHFSA-N 0 0 397.906 4.895 50 0 GJAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000009228251 221075146 /nfs/dbraw/zinc/07/51/46/221075146.db2.gz ZLFPUPYEUAMQKL-UHFFFAOYSA-N 0 0 388.514 4.735 50 0 GJAARN COc1ccc(CCC(=O)Nc2c3ccccc3oc2C(=O)NC(C)(C)C)cc1 ZINC000009251278 221075518 /nfs/dbraw/zinc/07/55/18/221075518.db2.gz HFUYMGYEYGQOAB-UHFFFAOYSA-N 0 0 394.471 4.541 50 0 GJAARN Cc1ccc(Cl)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1Cl ZINC000009256597 221075661 /nfs/dbraw/zinc/07/56/61/221075661.db2.gz YDNGDRSOXPVPEB-UHFFFAOYSA-N 0 0 392.238 4.734 50 0 GJAARN Cc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCC(C)CC2)cc1 ZINC000009251323 221075872 /nfs/dbraw/zinc/07/58/72/221075872.db2.gz QDDXMOGYXGDRBG-UHFFFAOYSA-N 0 0 390.483 4.795 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(F)cc(F)c1)SCC(=O)N2 ZINC000009250710 221076290 /nfs/dbraw/zinc/07/62/90/221076290.db2.gz 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CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000010469516 221103454 /nfs/dbraw/zinc/10/34/54/221103454.db2.gz CPOOIMNUDWAHLB-VGOFRKELSA-N 0 0 383.488 4.774 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)N1CCc2sccc2C1 ZINC000010923986 221109092 /nfs/dbraw/zinc/10/90/92/221109092.db2.gz QMJLJRFFEAKPSN-CMDGGOBGSA-N 0 0 391.540 4.516 50 0 GJAARN O=C(Nc1ccc2ccccc2c1)c1cc2c(cc1Br)OCCO2 ZINC000009668232 221089228 /nfs/dbraw/zinc/08/92/28/221089228.db2.gz KXYFVJWXJHUYRG-UHFFFAOYSA-N 0 0 384.229 4.626 50 0 GJAARN CC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc2c(c1)OCCCO2 ZINC000009746001 221091616 /nfs/dbraw/zinc/09/16/16/221091616.db2.gz UXSQADZIRITACI-UHFFFAOYSA-N 0 0 397.452 4.528 50 0 GJAARN C[C@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000009884142 221093175 /nfs/dbraw/zinc/09/31/75/221093175.db2.gz BSBYDQNCADDDRY-KRWDZBQOSA-N 0 0 399.450 4.660 50 0 GJAARN O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009992044 221095171 /nfs/dbraw/zinc/09/51/71/221095171.db2.gz PVQNXIFYCLZWQV-UHFFFAOYSA-N 0 0 377.799 4.538 50 0 GJAARN O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccc(F)cc1 ZINC000011071783 221109771 /nfs/dbraw/zinc/10/97/71/221109771.db2.gz YDNWGNYXEUUDAJ-UHFFFAOYSA-N 0 0 376.431 4.586 50 0 GJAARN COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1 ZINC000010156648 221097860 /nfs/dbraw/zinc/09/78/60/221097860.db2.gz MYMHUTIHHGNUAR-OAHLLOKOSA-N 0 0 377.419 4.589 50 0 GJAARN Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1 ZINC000010213829 221098006 /nfs/dbraw/zinc/09/80/06/221098006.db2.gz FWWAAVPLFRUJKP-YQVWRLOYSA-N 0 0 380.488 4.929 50 0 GJAARN O=C(Cc1ccc(Cl)cc1Cl)NCc1csc(-c2ccccc2)n1 ZINC000010213135 221098780 /nfs/dbraw/zinc/09/87/80/221098780.db2.gz VRHYIVWWVAHIIA-UHFFFAOYSA-N 0 0 377.296 4.976 50 0 GJAARN COc1ccc(N[C@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 ZINC000011817512 221127495 /nfs/dbraw/zinc/12/74/95/221127495.db2.gz CTVAEPIHLBWWKD-HNNXBMFYSA-N 0 0 393.409 4.822 50 0 GJAARN Cc1cccc2c(C)cc3nnc(SCC(=O)Nc4ccccc4Cl)n3c12 ZINC000011903176 221134793 /nfs/dbraw/zinc/13/47/93/221134793.db2.gz MRKKTBCKKGQSID-UHFFFAOYSA-N 0 0 396.903 4.884 50 0 GJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CC1 ZINC000011251018 221112999 /nfs/dbraw/zinc/11/29/99/221112999.db2.gz BRSAWBKSHQVBPL-UHFFFAOYSA-N 0 0 397.824 4.767 50 0 GJAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011216529 221113101 /nfs/dbraw/zinc/11/31/01/221113101.db2.gz JLZXZJBRYMCCFY-UHFFFAOYSA-N 0 0 389.386 4.780 50 0 GJAARN CCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2onc(C)c21 ZINC000011466791 221115522 /nfs/dbraw/zinc/11/55/22/221115522.db2.gz MHYMLDKIUWKKGA-UHFFFAOYSA-N 0 0 379.441 4.911 50 0 GJAARN COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1 ZINC000011614484 221118906 /nfs/dbraw/zinc/11/89/06/221118906.db2.gz OOIXAEFDEPMYGW-OAQYLSRUSA-N 0 0 383.403 4.551 50 0 GJAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccc4sc(N)nc4c3)C2)cc1 ZINC000011665195 221120814 /nfs/dbraw/zinc/12/08/14/221120814.db2.gz PPXMXRUNGMAMGZ-GOSISDBHSA-N 0 0 394.544 4.719 50 0 GJAARN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2C)cc1 ZINC000012027535 221144150 /nfs/dbraw/zinc/14/41/50/221144150.db2.gz VHMRTKUQMXJKBB-RUZDIDTESA-N 0 0 384.527 4.920 50 0 GJAARN CC(C)Oc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000012111456 221150885 /nfs/dbraw/zinc/15/08/85/221150885.db2.gz SCIAXYJACQDWPY-UHFFFAOYSA-N 0 0 395.459 4.665 50 0 GJAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 ZINC000011913744 221135726 /nfs/dbraw/zinc/13/57/26/221135726.db2.gz SNVCTFMGOZBIOF-MRXNPFEDSA-N 0 0 395.459 4.547 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)/C=C/c2ccco2)cc1OCCC ZINC000011915532 221136293 /nfs/dbraw/zinc/13/62/93/221136293.db2.gz CGGWFNIDMKEUGR-CSKARUKUSA-N 0 0 397.431 4.559 50 0 GJAARN Cc1nc(-c2ccccc2)nc2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)S2 ZINC000012324300 221182964 /nfs/dbraw/zinc/18/29/64/221182964.db2.gz IWKXEUQTNTURKD-LJQANCHMSA-N 0 0 375.497 4.938 50 0 GJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c(C)c1C ZINC000012192334 221165445 /nfs/dbraw/zinc/16/54/45/221165445.db2.gz GKEFBMRBXLTPPB-DEOSSOPVSA-N 0 0 386.499 4.664 50 0 GJAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(F)cc(F)c1 ZINC000012226754 221170294 /nfs/dbraw/zinc/17/02/94/221170294.db2.gz RLSSVOBMFVLAPP-UHFFFAOYSA-N 0 0 384.304 4.584 50 0 GJAARN CC(C)c1cc(C(=O)NCCc2ccccc2)nn1-c1nc2ccccc2s1 ZINC000012223585 221170731 /nfs/dbraw/zinc/17/07/31/221170731.db2.gz XMWKSNRWUHACFF-UHFFFAOYSA-N 0 0 390.512 4.578 50 0 GJAARN O=C(NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)C1=CCCC1 ZINC000012243331 221173669 /nfs/dbraw/zinc/17/36/69/221173669.db2.gz LFJKIRZVFUKJHP-HXUWFJFHSA-N 0 0 388.442 4.571 50 0 GJAARN O=S(=O)(c1nc(-c2ccco2)oc1Nc1ccc(F)cc1)c1ccccc1 ZINC000012419367 221190925 /nfs/dbraw/zinc/19/09/25/221190925.db2.gz SUYRKMNUBAOHHI-UHFFFAOYSA-N 0 0 384.388 4.650 50 0 GJAARN Cc1cc(CN(C)C(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)on1 ZINC000012431960 221192803 /nfs/dbraw/zinc/19/28/03/221192803.db2.gz XDKNZYRLYYFKCO-LJQANCHMSA-N 0 0 384.863 4.523 50 0 GJAARN CC(C)Cc1cc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012432343 221192873 /nfs/dbraw/zinc/19/28/73/221192873.db2.gz ZIWALCUCFCYVDI-INIZCTEOSA-N 0 0 393.453 4.722 50 0 GJAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)C=Cc3cccs3)C2)c1 ZINC000012469031 221198769 /nfs/dbraw/zinc/19/87/69/221198769.db2.gz SFDFXQLKKMXTTI-DOJUMQAQSA-N 0 0 383.513 4.670 50 0 GJAARN COc1ccc(Cl)cc1CN(C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000012532849 221203311 /nfs/dbraw/zinc/20/33/11/221203311.db2.gz RJRZIEIYRREYAO-NSHDSACASA-N 0 0 390.940 4.745 50 0 GJAARN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccn2)cc1 ZINC000012582085 221210117 /nfs/dbraw/zinc/21/01/17/221210117.db2.gz HCFIGUPYRCQZBD-DEOSSOPVSA-N 0 0 381.479 4.913 50 0 GJAARN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccn2)cc1 ZINC000012582093 221210435 /nfs/dbraw/zinc/21/04/35/221210435.db2.gz HCFIGUPYRCQZBD-XMMPIXPASA-N 0 0 381.479 4.913 50 0 GJAARN Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)cc1C ZINC000012578673 221210448 /nfs/dbraw/zinc/21/04/48/221210448.db2.gz JEUZFPRHZYURLI-XMMPIXPASA-N 0 0 398.497 4.710 50 0 GJAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)Nc2ccccc2F)C1 ZINC000012385185 221187602 /nfs/dbraw/zinc/18/76/02/221187602.db2.gz TYQAGAXIOSJSTH-QHCPKHFHSA-N 0 0 398.478 4.554 50 0 GJAARN Cc1c(C(=O)Nc2nccs2)sc2nc(Cc3ccccc3)nc(C)c12 ZINC000012391405 221189143 /nfs/dbraw/zinc/18/91/43/221189143.db2.gz LBJPDPRGISOFPO-UHFFFAOYSA-N 0 0 380.498 4.608 50 0 GJAARN CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)[nH]3)c(C)o2)cc1 ZINC000012411981 221189832 /nfs/dbraw/zinc/18/98/32/221189832.db2.gz XFNBMSHPJYQJEC-UHFFFAOYSA-N 0 0 393.468 4.990 50 0 biogenic,in-vitro GJAARN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)c(Cl)c1 ZINC000012744537 221223474 /nfs/dbraw/zinc/22/34/74/221223474.db2.gz GORZOJPJZQMLCF-VIFPVBQESA-N 0 0 383.300 4.894 50 0 GJAARN CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012603525 221215006 /nfs/dbraw/zinc/21/50/06/221215006.db2.gz HTLQDUZYPQSMOK-KRWDZBQOSA-N 0 0 390.821 4.605 50 0 GJAARN Cn1c(C[C@H](NC(=O)c2ccc(F)cc2F)c2ccccc2)nc2ccccc21 ZINC000012627370 221215590 /nfs/dbraw/zinc/21/55/90/221215590.db2.gz LCYRZJKXGFXIQM-FQEVSTJZSA-N 0 0 391.421 4.565 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)n3)C2=O)c(C)c1 ZINC000012651972 221216955 /nfs/dbraw/zinc/21/69/55/221216955.db2.gz HPMAEJJNXBJVNO-XSFVSMFZSA-N 0 0 383.451 4.647 50 0 GJAARN COCCc1nc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2o1 ZINC000012709176 221219007 /nfs/dbraw/zinc/21/90/07/221219007.db2.gz WBIIXSAFZSIVBB-UHFFFAOYSA-N 0 0 392.499 4.502 50 0 GJAARN Cc1oc(-c2ccccc2F)nc1CN1CCC[C@H](OCc2ccccc2)C1 ZINC000012593394 221211345 /nfs/dbraw/zinc/21/13/45/221211345.db2.gz GBSWNFJQTFEOPV-IBGZPJMESA-N 0 0 380.463 4.970 50 0 GJAARN Cc1ccc(F)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012796795 221233513 /nfs/dbraw/zinc/23/35/13/221233513.db2.gz AYOVKAVXRRRUCJ-UHFFFAOYSA-N 0 0 390.458 4.778 50 0 GJAARN Fc1cc(CN2CCc3sccc3[C@@H]2c2ccccc2)c2c(c1)COCO2 ZINC000012745481 221223837 /nfs/dbraw/zinc/22/38/37/221223837.db2.gz YCLNLIZDIPTLHL-NRFANRHFSA-N 0 0 381.472 4.901 50 0 GJAARN CCc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 ZINC000012747871 221224056 /nfs/dbraw/zinc/22/40/56/221224056.db2.gz QSUUWLOPJQYKEU-UHFFFAOYSA-N 0 0 376.378 4.869 50 0 GJAARN CC(C)c1nnc(NC(=O)c2csc(COc3ccc(Cl)cc3)n2)s1 ZINC000012750042 221224464 /nfs/dbraw/zinc/22/44/64/221224464.db2.gz SWWWEZSGQSRSAN-UHFFFAOYSA-N 0 0 394.909 4.603 50 0 GJAARN CC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)cc1 ZINC000012749398 221224487 /nfs/dbraw/zinc/22/44/87/221224487.db2.gz ZIGMBAVHDKRSAV-UHFFFAOYSA-N 0 0 397.544 4.521 50 0 GJAARN CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c(C)n1 ZINC000012754899 221225209 /nfs/dbraw/zinc/22/52/09/221225209.db2.gz KIOUILCBEXZFBB-IBGZPJMESA-N 0 0 391.968 4.915 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cccc(Cl)c1 ZINC000012753343 221225406 /nfs/dbraw/zinc/22/54/06/221225406.db2.gz QZHMYVSUYXCKON-UHFFFAOYSA-N 0 0 380.879 4.967 50 0 GJAARN CCCc1ccc2oc(C(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)c(C)c2c1 ZINC000012756061 221226680 /nfs/dbraw/zinc/22/66/80/221226680.db2.gz JVCQQVRZQAACPW-LJQANCHMSA-N 0 0 390.483 4.824 50 0 GJAARN Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)o1 ZINC000012797613 221234205 /nfs/dbraw/zinc/23/42/05/221234205.db2.gz KDIWAPACOOWFAI-UHFFFAOYSA-N 0 0 383.256 4.758 50 0 GJAARN COc1cc(OC)c(NC(=O)Cc2csc(-c3ccsc3)n2)cc1Cl ZINC000012766700 221227760 /nfs/dbraw/zinc/22/77/60/221227760.db2.gz CUAUGFBHHNUZKQ-UHFFFAOYSA-N 0 0 394.905 4.723 50 0 GJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012793090 221233089 /nfs/dbraw/zinc/23/30/89/221233089.db2.gz KUDWUQRXASCUMA-CRAIPNDOSA-N 0 0 396.512 4.687 50 0 GJAARN Fc1ccc(CSc2n[nH]c(Cc3cccs3)n2)c(Br)c1 ZINC000012910589 221244901 /nfs/dbraw/zinc/24/49/01/221244901.db2.gz XEFKCLKRCXPPDX-UHFFFAOYSA-N 0 0 384.299 4.651 50 0 GJAARN O=c1[nH]c2c(c3ccccc13)[C@@H](c1ccccc1)c1c3ccccc3[nH]c(=O)c1N2 ZINC000012810208 221235290 /nfs/dbraw/zinc/23/52/90/221235290.db2.gz PCVMXKVITPIUFU-IBGZPJMESA-N 0 0 391.430 4.607 50 0 GJAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000012813136 221236023 /nfs/dbraw/zinc/23/60/23/221236023.db2.gz HNLPVJWVJJXSHE-UHFFFAOYSA-N 0 0 399.899 4.592 50 0 GJAARN CC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@@H]1c1ccc2nccnc2c1 ZINC000012821387 221237067 /nfs/dbraw/zinc/23/70/67/221237067.db2.gz WMFXGNOSFBWNAA-LJQANCHMSA-N 0 0 385.254 4.634 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000012836657 221237928 /nfs/dbraw/zinc/23/79/28/221237928.db2.gz NNEZNRIDFQGOJR-SFHVURJKSA-N 0 0 382.479 4.714 50 0 GJAARN CCC(CC)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012836001 221237967 /nfs/dbraw/zinc/23/79/67/221237967.db2.gz KRKJVCCDOQHGKQ-QFIPXVFZSA-N 0 0 394.515 4.728 50 0 GJAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000012859786 221239551 /nfs/dbraw/zinc/23/95/51/221239551.db2.gz VDIQWCLZCFKNQS-SECBINFHSA-N 0 0 382.218 4.840 50 0 GJAARN CCOc1nn(CC)cc1-c1nnc(SCc2ccccc2Cl)n1CC ZINC000012874628 221240098 /nfs/dbraw/zinc/24/00/98/221240098.db2.gz HMVPVTMNRBGRBH-UHFFFAOYSA-N 0 0 391.928 4.526 50 0 GJAARN O=C(Nc1ccccc1N1CCCC1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012876982 221240327 /nfs/dbraw/zinc/24/03/27/221240327.db2.gz HPPMQTYKTMDITA-UHFFFAOYSA-N 0 0 397.887 4.843 50 0 GJAARN CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1CC)c1cccc2ccccc21 ZINC000012873882 221240569 /nfs/dbraw/zinc/24/05/69/221240569.db2.gz ALAAZCNHXXAYBG-OAHLLOKOSA-N 0 0 394.544 4.862 50 0 GJAARN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000012882174 221240772 /nfs/dbraw/zinc/24/07/72/221240772.db2.gz JSHQPQIENQIACS-SJORKVTESA-N 0 0 380.513 4.778 50 0 GJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(C)cc1Br ZINC000012889878 221242119 /nfs/dbraw/zinc/24/21/19/221242119.db2.gz AZIKEDBBPDEZHI-UHFFFAOYSA-N 0 0 392.341 4.798 50 0 GJAARN COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000012897516 221243128 /nfs/dbraw/zinc/24/31/28/221243128.db2.gz FWZWMWPZRVCRKZ-CQSZACIVSA-N 0 0 387.439 4.698 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC000012923245 221246888 /nfs/dbraw/zinc/24/68/88/221246888.db2.gz ZKOCXQOZHILMML-UHFFFAOYSA-N 0 0 384.483 4.781 50 0 GJAARN C[C@H](Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1C(F)(F)F ZINC000012929787 221248248 /nfs/dbraw/zinc/24/82/48/221248248.db2.gz XLTDHLMQDMZBGI-NSHDSACASA-N 0 0 377.391 4.768 50 0 GJAARN CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3SC)c2C1 ZINC000012940597 221249388 /nfs/dbraw/zinc/24/93/88/221249388.db2.gz BBYGPXDZDDBILL-UHFFFAOYSA-N 0 0 377.513 4.587 50 0 GJAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 ZINC000012994872 221254575 /nfs/dbraw/zinc/25/45/75/221254575.db2.gz DFYKLAFJQJKVAS-VMPITWQZSA-N 0 0 384.482 4.700 50 0 GJAARN O=C1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000013001923 221254980 /nfs/dbraw/zinc/25/49/80/221254980.db2.gz MJBQEFUHDZVPFA-UHFFFAOYSA-N 0 0 395.553 4.642 50 0 GJAARN COc1ccc(CNC(=O)[C@H](C)n2nc(-c3ccccc3)c3ccccc32)cc1 ZINC000013369662 221266420 /nfs/dbraw/zinc/26/64/20/221266420.db2.gz RVEHHEBLTRNHNE-KRWDZBQOSA-N 0 0 385.467 4.589 50 0 GJAARN C[C@@H](C(=O)NCCc1cccs1)n1nc(-c2ccccc2)c2ccccc21 ZINC000013369693 221266804 /nfs/dbraw/zinc/26/68/04/221266804.db2.gz AOSIOMWHDSADRB-INIZCTEOSA-N 0 0 375.497 4.685 50 0 GJAARN CCOCCCNC(=O)CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369467 221266989 /nfs/dbraw/zinc/26/69/89/221266989.db2.gz RMUANPIRTWKRRL-UHFFFAOYSA-N 0 0 399.922 4.680 50 0 GJAARN CCCOc1c(Cl)cc(/C=C/C(=O)N(C)Cc2ccccc2F)cc1OC ZINC000013096235 221259931 /nfs/dbraw/zinc/25/99/31/221259931.db2.gz VDHXCWCTMQJKLY-MDZDMXLPSA-N 0 0 391.870 4.948 50 0 GJAARN CCn1c(Cc2ccccc2)nn(CN(C)Cc2ccc(Cl)cc2)c1=S ZINC000013072190 221260575 /nfs/dbraw/zinc/26/05/75/221260575.db2.gz CQQKTAQQGPLYMQ-UHFFFAOYSA-N 0 0 386.952 4.768 50 0 GJAARN Cc1csc2nc(COc3ccc(C(C)(C)c4ccccc4)cc3)cc(=O)n12 ZINC000013367475 221267007 /nfs/dbraw/zinc/26/70/07/221267007.db2.gz NOONKTRODMGCKS-UHFFFAOYSA-N 0 0 390.508 4.969 50 0 GJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1cc(Cl)ccc1OC ZINC000013364907 221267025 /nfs/dbraw/zinc/26/70/25/221267025.db2.gz KKTXEZZEECILRP-UHFFFAOYSA-N 0 0 386.835 4.529 50 0 GJAARN COc1ccc(C=C2CCC[C@@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000013122042 221261415 /nfs/dbraw/zinc/26/14/15/221261415.db2.gz GOZPBMCCEGQPIM-VYWMGKBGSA-N 0 0 392.524 4.958 50 0 GJAARN CC(C)Oc1ccc(CNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)cc1 ZINC000013369625 221267210 /nfs/dbraw/zinc/26/72/10/221267210.db2.gz RFFXFZOWDYBNJO-UHFFFAOYSA-N 0 0 399.494 4.807 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC ZINC000013571002 221273991 /nfs/dbraw/zinc/27/39/91/221273991.db2.gz JGDCAJMXSVSNEK-AWEZNQCLSA-N 0 0 397.862 4.975 50 0 GJAARN COc1ccc2c(c1)c(-c1csc(NC(=O)Cc3ccccc3)n1)c(C)n2C ZINC000013570022 221274318 /nfs/dbraw/zinc/27/43/18/221274318.db2.gz YCOCREXQDASLRR-UHFFFAOYSA-N 0 0 391.496 4.800 50 0 GJAARN CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1CCC ZINC000013686374 221280649 /nfs/dbraw/zinc/28/06/49/221280649.db2.gz OWTIPIADTHGFMI-UHFFFAOYSA-N 0 0 390.549 4.785 50 0 GJAARN Brc1cccc(-c2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)c1 ZINC000013718934 221284218 /nfs/dbraw/zinc/28/42/18/221284218.db2.gz JWKYEQLJMXZWTB-UHFFFAOYSA-N 0 0 396.273 4.764 50 0 GJAARN Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)C(C)(C)C)c(=O)[nH]c2c1 ZINC000013750836 221286360 /nfs/dbraw/zinc/28/63/60/221286360.db2.gz CKPSJIFYNQUVAD-UHFFFAOYSA-N 0 0 382.891 4.931 50 0 GJAARN Cc1ccc(Sc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1 ZINC000013943298 221293232 /nfs/dbraw/zinc/29/32/32/221293232.db2.gz WYWUQCWZIJPQIL-PDGQHHTCSA-N 0 0 390.489 4.510 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nncn2C2CC2)c2ccccc2)c1 ZINC000014085999 221299025 /nfs/dbraw/zinc/29/90/25/221299025.db2.gz RUKYIHVYAWRKSF-IBGZPJMESA-N 0 0 378.501 4.702 50 0 GJAARN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1 ZINC000014138000 221300903 /nfs/dbraw/zinc/30/09/03/221300903.db2.gz MPRHYHSJKGZUMT-UHFFFAOYSA-N 0 0 393.283 4.821 50 0 GJAARN S=c1n(CN2CCC(c3nc4ccccc4o3)CC2)nc(C2CC2)n1C1CC1 ZINC000014234454 221305636 /nfs/dbraw/zinc/30/56/36/221305636.db2.gz VRNFVOHBSINGKB-UHFFFAOYSA-N 0 0 395.532 4.605 50 0 GJAARN C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl ZINC000014230641 221305886 /nfs/dbraw/zinc/30/58/86/221305886.db2.gz MNIVNWAOCBTVJS-AWEZNQCLSA-N 0 0 383.879 4.575 50 0 GJAARN Cc1sc2ncnc(SCC(=O)N[C@H](C)c3ccc(F)c(F)c3)c2c1C ZINC000014234313 221306154 /nfs/dbraw/zinc/30/61/54/221306154.db2.gz NVZGKYKQXDKSRP-SNVBAGLBSA-N 0 0 393.484 4.556 50 0 GJAARN CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000014247979 221307384 /nfs/dbraw/zinc/30/73/84/221307384.db2.gz AQUZUHOQFJKQCP-HSZRJFAPSA-N 0 0 391.492 4.504 50 0 GJAARN Cc1csc(CNC(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)n1 ZINC000014965232 221321380 /nfs/dbraw/zinc/32/13/80/221321380.db2.gz DJQDJYUIZZXMHZ-SFHVURJKSA-N 0 0 386.904 4.649 50 0 GJAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1C ZINC000014964107 221322256 /nfs/dbraw/zinc/32/22/56/221322256.db2.gz HCDYMNOYVMRZBI-OAQYLSRUSA-N 0 0 379.500 4.610 50 0 GJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCc1ccco1 ZINC000014965236 221322475 /nfs/dbraw/zinc/32/24/75/221322475.db2.gz PHALATYYVNJVSZ-IBGZPJMESA-N 0 0 377.488 4.536 50 0 GJAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2)cc1 ZINC000014611108 221313729 /nfs/dbraw/zinc/31/37/29/221313729.db2.gz SJHGWSQWBYZEBL-UHFFFAOYSA-N 0 0 386.455 4.962 50 0 GJAARN COc1ccc(F)c(-c2nc(CN(C)Cc3cccc4ncccc34)c(C)o2)c1 ZINC000014974308 221323418 /nfs/dbraw/zinc/32/34/18/221323418.db2.gz MJDNIAQYXOMEKF-UHFFFAOYSA-N 0 0 391.446 4.978 50 0 GJAARN Cc1ccc(OCc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)cc1 ZINC000014680452 221314271 /nfs/dbraw/zinc/31/42/71/221314271.db2.gz YGQSKNRSRARHPC-MRXNPFEDSA-N 0 0 378.497 4.551 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccc(Br)s2)c1 ZINC000015109132 221332560 /nfs/dbraw/zinc/33/25/60/221332560.db2.gz JKJXCZCMCPTYLA-CYBMUJFWSA-N 0 0 381.339 4.586 50 0 GJAARN Cc1ccccc1-c1noc(CN(C)Cc2ccc(Br)s2)n1 ZINC000015371840 221334848 /nfs/dbraw/zinc/33/48/48/221334848.db2.gz GPQHLVCJMNHNOF-UHFFFAOYSA-N 0 0 378.295 4.501 50 0 GJAARN Cc1cc(SCC(=O)c2ccc(N3CCCC3=O)cc2)nc2ccccc12 ZINC000015331875 221334982 /nfs/dbraw/zinc/33/49/82/221334982.db2.gz RQRUZCIHRNGGDU-UHFFFAOYSA-N 0 0 376.481 4.645 50 0 GJAARN Cn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2Cl)cn1 ZINC000014977812 221323798 /nfs/dbraw/zinc/32/37/98/221323798.db2.gz XWRRJXBIINMFQH-QFIPXVFZSA-N 0 0 376.891 4.703 50 0 GJAARN Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC000014996262 221325332 /nfs/dbraw/zinc/32/53/32/221325332.db2.gz GEVNNBAZGUVRKN-QGZVFWFLSA-N 0 0 395.503 4.601 50 0 GJAARN O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 ZINC000015643233 221337777 /nfs/dbraw/zinc/33/77/77/221337777.db2.gz PISSMLIZSOMDJH-UHFFFAOYSA-N 0 0 378.859 4.766 50 0 GJAARN CCN(C(=O)c1noc2c1CSc1ccccc1-2)c1cc(OC)ccc1OC ZINC000015673956 221339134 /nfs/dbraw/zinc/33/91/34/221339134.db2.gz TXNSSKSCSONINB-UHFFFAOYSA-N 0 0 396.468 4.631 50 0 GJAARN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(C)cc1Cl)n2C ZINC000015681826 221340491 /nfs/dbraw/zinc/34/04/91/221340491.db2.gz NRAUUPGDURWWCL-UHFFFAOYSA-N 0 0 395.890 4.828 50 0 GJAARN Cc1nn2c(ncc(C(=O)Nc3cc(F)ccc3F)c2C)c1-c1cccc(C)c1 ZINC000015733106 221342143 /nfs/dbraw/zinc/34/21/43/221342143.db2.gz BLSJKMRXFUKXDP-UHFFFAOYSA-N 0 0 392.409 4.852 50 0 GJAARN O=C(CSc1nc2ccccc2s1)OCc1cc(-c2cccs2)on1 ZINC000015754768 221343467 /nfs/dbraw/zinc/34/34/67/221343467.db2.gz CCLDHBLKTWVRRI-UHFFFAOYSA-N 0 0 388.495 4.848 50 0 GJAARN Cc1c(C[NH2+][C@@H](C)c2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776843 221345056 /nfs/dbraw/zinc/34/50/56/221345056.db2.gz HYYITMDUPDSFGI-HNNXBMFYSA-N 0 0 380.463 4.841 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000015827783 221346412 /nfs/dbraw/zinc/34/64/12/221346412.db2.gz SMVWEQJZKRUVHT-OAQYLSRUSA-N 0 0 397.515 4.744 50 0 GJAARN Cc1ccc([C@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1C ZINC000015839763 221346964 /nfs/dbraw/zinc/34/69/64/221346964.db2.gz WYBHNFZSOPWHQQ-FQEVSTJZSA-N 0 0 395.300 4.980 50 0 GJAARN Cc1c(C(=O)Nc2cccc(F)c2)sc2ncnc(N3CCCCCC3)c12 ZINC000015825804 221347192 /nfs/dbraw/zinc/34/71/92/221347192.db2.gz HLOKJZOHTAYIGN-UHFFFAOYSA-N 0 0 384.480 4.772 50 0 GJAARN COc1ccc(-c2nc(CNC(=O)c3oc4ccccc4c3C)cs2)cc1 ZINC000015832774 221347199 /nfs/dbraw/zinc/34/71/99/221347199.db2.gz AWVOKUJMTRNQQT-UHFFFAOYSA-N 0 0 378.453 4.803 50 0 GJAARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c2cccnc12 ZINC000015841104 221347648 /nfs/dbraw/zinc/34/76/48/221347648.db2.gz ORVJRTSJXLJYTD-OAHLLOKOSA-N 0 0 382.435 4.959 50 0 GJAARN Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC3 ZINC000015842099 221347863 /nfs/dbraw/zinc/34/78/63/221347863.db2.gz MTXRERBGQTUUJC-UHFFFAOYSA-N 0 0 380.513 4.592 50 0 GJAARN CSc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000015867930 221349888 /nfs/dbraw/zinc/34/98/88/221349888.db2.gz BQVCEZQUFNAULW-AWEZNQCLSA-N 0 0 392.509 4.678 50 0 GJAARN Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 ZINC000015880588 221351300 /nfs/dbraw/zinc/35/13/00/221351300.db2.gz FUYYJRZENKSBHQ-UHFFFAOYSA-N 0 0 380.473 4.585 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccco1 ZINC000016493587 221364927 /nfs/dbraw/zinc/36/49/27/221364927.db2.gz ZWPWQPWMDYKJBD-QGZVFWFLSA-N 0 0 379.803 4.502 50 0 GJAARN Cc1nc2sc([C@H](c3ccc(Cl)cc3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000017144200 221380163 /nfs/dbraw/zinc/38/01/63/221380163.db2.gz ALQIHKKHRCNQNN-OZVIIMIRSA-N 0 0 390.940 4.526 50 0 GJAARN O=C(NCc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000016694484 221369389 /nfs/dbraw/zinc/36/93/89/221369389.db2.gz GNTGYILKDFFUEV-UHFFFAOYSA-N 0 0 385.345 4.772 50 0 GJAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 ZINC000016960282 221374657 /nfs/dbraw/zinc/37/46/57/221374657.db2.gz UZLHBGJAHAHYBL-UHFFFAOYSA-N 0 0 386.451 4.541 50 0 GJAARN Cc1ccc(Cl)c(OCc2nnc(SCc3ccccc3F)n2C)c1 ZINC000017077299 221375728 /nfs/dbraw/zinc/37/57/28/221375728.db2.gz ARURASHQDZHQGF-UHFFFAOYSA-N 0 0 377.872 4.787 50 0 GJAARN O=C(Nc1nnc(COc2ccccc2F)s1)Nc1ccc(Cl)cc1 ZINC000017045086 221376596 /nfs/dbraw/zinc/37/65/96/221376596.db2.gz SXCVYXKVAIYPLT-UHFFFAOYSA-N 0 0 378.816 4.554 50 0 GJAARN Cc1sc2[n-]c(=S)n(CC[NH+]3CCCCC3)c(=O)c2c1-c1ccccc1 ZINC000017078749 221377371 /nfs/dbraw/zinc/37/73/71/221377371.db2.gz AMZLMSHTQNLYER-UHFFFAOYSA-N 0 0 385.558 4.582 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000017077659 221377616 /nfs/dbraw/zinc/37/76/16/221377616.db2.gz SRAGDPLKSQWMKK-UHFFFAOYSA-N 0 0 379.847 4.914 50 0 GJAARN CCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000017081347 221378493 /nfs/dbraw/zinc/37/84/93/221378493.db2.gz CXHPPSZXKJNOJF-UHFFFAOYSA-N 0 0 397.544 4.850 50 0 GJAARN O=C(COc1ccccc1)NCC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000018056748 221386633 /nfs/dbraw/zinc/38/66/33/221386633.db2.gz SJHGBCFZSCWVEO-KVEMZPMDSA-N 0 0 375.512 4.720 50 0 GJAARN Fc1ccc(F)c([C@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)c1 ZINC000019789045 221451756 /nfs/dbraw/zinc/45/17/56/221451756.db2.gz LVGAMXBAAISRSS-QHCPKHFHSA-N 0 0 392.453 4.680 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000020616107 221504921 /nfs/dbraw/zinc/50/49/21/221504921.db2.gz RGHPNVBEOSAOAW-CQSZACIVSA-N 0 0 391.496 4.895 50 0 GJAARN CC(C)C(=O)Nc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000020672907 221507186 /nfs/dbraw/zinc/50/71/86/221507186.db2.gz YKEXIGIMBGWKSO-UHFFFAOYSA-N 0 0 395.484 4.919 50 0 GJAARN COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CC[C@H](c2ccccc2)C1 ZINC000021103723 221526042 /nfs/dbraw/zinc/52/60/42/221526042.db2.gz NTJVDMRACQUMGO-INIZCTEOSA-N 0 0 382.847 4.776 50 0 GJAARN COC(=O)c1ccc2c(c1)nc(C(Cl)=Cc1ccc(C(C)C)cc1)[nH]c2=O ZINC000021191241 221529100 /nfs/dbraw/zinc/52/91/00/221529100.db2.gz BQOUTTVZOILVCH-YVLHZVERSA-N 0 0 382.847 4.570 50 0 GJAARN COc1cccc(NC(=O)c2sc(-c3cnccn3)nc2-c2ccccc2)c1 ZINC000071971865 533615893 /nfs/dbraw/zinc/61/58/93/533615893.db2.gz ORODRDXAWJNKOB-UHFFFAOYSA-N 0 0 388.452 4.528 50 0 GJAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000040103341 132395867 /nfs/dbraw/zinc/39/58/67/132395867.db2.gz NOCUUNBFAJUHQJ-UHFFFAOYSA-N 0 0 387.911 4.525 50 0 GJAARN CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078904 132426195 /nfs/dbraw/zinc/42/61/95/132426195.db2.gz GIBZLEOKDVXDKO-OAHLLOKOSA-N 0 0 384.907 4.851 50 0 GJAARN O=C(Nc1ccccc1N1CCCCC1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000057891983 136153981 /nfs/dbraw/zinc/15/39/81/136153981.db2.gz BNTCAPFNIFOLRH-GOSISDBHSA-N 0 0 399.560 4.952 50 0 GJAARN O=C(Nc1ccc(N2CCCCC2)nc1)c1cccnc1Nc1cccc(F)c1 ZINC000058369932 136155292 /nfs/dbraw/zinc/15/52/92/136155292.db2.gz HPFGDUGFKXSCIB-UHFFFAOYSA-N 0 0 391.450 4.602 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccn2)s1 ZINC000064676043 136157428 /nfs/dbraw/zinc/15/74/28/136157428.db2.gz PDIUSHXGXZDCLV-KRWDZBQOSA-N 0 0 391.540 4.778 50 0 GJAARN CC(C)(C)c1ccc2c(c1)OCC(=O)N2Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000064775220 136157724 /nfs/dbraw/zinc/15/77/24/136157724.db2.gz FBMSNMHNISFQAE-UHFFFAOYSA-N 0 0 397.862 4.613 50 0 GJAARN CC[C@H](C(=O)N1CCN(Cc2ccc(C)cc2)c2ncccc21)c1ccccc1 ZINC000064929700 136158203 /nfs/dbraw/zinc/15/82/03/136158203.db2.gz MRPDZPPOGCFMHY-QFIPXVFZSA-N 0 0 385.511 4.937 50 0 GJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1C ZINC000065023657 136158770 /nfs/dbraw/zinc/15/87/70/136158770.db2.gz HIYZQRZSGJEKSP-FQEVSTJZSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccc(-c2csc3ncnc(N4CCC[C@@H](c5cc[nH]n5)C4)c23)cc1 ZINC000071811751 136166659 /nfs/dbraw/zinc/16/66/59/136166659.db2.gz HRFFRHILYXISHK-MRXNPFEDSA-N 0 0 375.501 4.774 50 0 GJAARN COc1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3C)C2=O)c1 ZINC000103706712 136191183 /nfs/dbraw/zinc/19/11/83/136191183.db2.gz VJRUHICKKKZWRM-JCMHNJIXSA-N 0 0 398.462 4.952 50 0 GJAARN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCCCC1=O ZINC000005441763 136194893 /nfs/dbraw/zinc/19/48/93/136194893.db2.gz IGYCALJXXQOBQB-UHFFFAOYSA-N 0 0 376.378 4.783 50 0 GJAARN COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)C2=CNc1ccccc1 ZINC000005443013 136194949 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GJAARN COc1cccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)c1 ZINC000065029676 222094856 /nfs/dbraw/zinc/09/48/56/222094856.db2.gz FRAGJEANAZKVMZ-UHFFFAOYSA-N 0 0 380.423 4.627 50 0 GJAARN Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004518 222095142 /nfs/dbraw/zinc/09/51/42/222095142.db2.gz VRRFFDCGYINHFP-UHFFFAOYSA-N 0 0 388.514 4.804 50 0 GJAARN C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC000065005089 222095419 /nfs/dbraw/zinc/09/54/19/222095419.db2.gz OKEHYENWXRFFNF-AWEZNQCLSA-N 0 0 375.384 4.613 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)nnn2Cc1ccccc1 ZINC000065030550 222096030 /nfs/dbraw/zinc/09/60/30/222096030.db2.gz CQAWDZHWSRJXND-UHFFFAOYSA-N 0 0 376.847 4.694 50 0 GJAARN Cc1ccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000065059014 222097612 /nfs/dbraw/zinc/09/76/12/222097612.db2.gz XDEGIFZMBHVLMG-QFIPXVFZSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2)C1 ZINC000065059154 222098302 /nfs/dbraw/zinc/09/83/02/222098302.db2.gz JLQJBSJAPOPOTQ-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1nccnc1Oc1ccc(C)cc1 ZINC000065110975 222100097 /nfs/dbraw/zinc/10/00/97/222100097.db2.gz KKJVVTNVZVFIOQ-UHFFFAOYSA-N 0 0 395.484 4.707 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccnc2Oc2ccccc2C)cc1C ZINC000065111160 222100270 /nfs/dbraw/zinc/10/02/70/222100270.db2.gz MVQDXZVPIYNTTN-UHFFFAOYSA-N 0 0 379.485 4.925 50 0 GJAARN Cc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000065133917 222102174 /nfs/dbraw/zinc/10/21/74/222102174.db2.gz VKQFETGHFAIDEV-UHFFFAOYSA-N 0 0 385.826 4.570 50 0 GJAARN CCCOC(=O)c1cnc2nc(C)ccc2c1NCc1ccc(SC)cc1 ZINC000065114344 222102402 /nfs/dbraw/zinc/10/24/02/222102402.db2.gz FECDGOWOKRHUOZ-UHFFFAOYSA-N 0 0 381.501 4.839 50 0 GJAARN Cc1ccc(-c2nccc([C@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)cc1 ZINC000065135491 222102433 /nfs/dbraw/zinc/10/24/33/222102433.db2.gz IVFGSIBFKRWXQI-KRWDZBQOSA-N 0 0 393.437 4.750 50 0 GJAARN C[C@@H](NC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000065136656 222103245 /nfs/dbraw/zinc/10/32/45/222103245.db2.gz QNMXMTJWXFSEBX-MSOLQXFVSA-N 0 0 397.494 4.727 50 0 GJAARN Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccsc4)C3)n2)cc1 ZINC000065148083 222103287 /nfs/dbraw/zinc/10/32/87/222103287.db2.gz CANFVSBNZBQFKI-MRXNPFEDSA-N 0 0 378.501 4.610 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4cccc(C)c4)n3)C2)s1 ZINC000065148017 222103882 /nfs/dbraw/zinc/10/38/82/222103882.db2.gz YYEPKYOUYZPHED-KRWDZBQOSA-N 0 0 392.528 4.918 50 0 GJAARN O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135738 222103991 /nfs/dbraw/zinc/10/39/91/222103991.db2.gz OADFTCULNZPQJK-INIZCTEOSA-N 0 0 397.400 4.581 50 0 GJAARN Cc1cccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccc4F)n3)C2)c1 ZINC000065148561 222104056 /nfs/dbraw/zinc/10/40/56/222104056.db2.gz ILMXTEBGOCFPHM-SFHVURJKSA-N 0 0 390.462 4.688 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1cnc(-c2ccccc2)nc1-c1ccncc1 ZINC000065153681 222105165 /nfs/dbraw/zinc/10/51/65/222105165.db2.gz IQMNOFPBWZVSBZ-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN Cn1c(-c2cccc(C(=O)Nc3cc(Cl)ccc3F)c2)nc2cccnc21 ZINC000065172655 222105586 /nfs/dbraw/zinc/10/55/86/222105586.db2.gz GYWDZDOGHMCHSY-UHFFFAOYSA-N 0 0 380.810 4.680 50 0 GJAARN CCCn1c(-c2cccc(C(=O)Nc3ccc(OC)cc3)c2)nc2cccnc21 ZINC000065172788 222105863 /nfs/dbraw/zinc/10/58/63/222105863.db2.gz GKVRYMDWSOPMCB-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)Nc1ccc(C)cc1 ZINC000065194817 222108217 /nfs/dbraw/zinc/10/82/17/222108217.db2.gz GBKOYZTTYOBVGK-UHFFFAOYSA-N 0 0 392.484 4.831 50 0 GJAARN CC(C)(C)c1cc(NC(=O)COCc2ccccc2Cl)n(C(C)(C)C)n1 ZINC000058015649 222037811 /nfs/dbraw/zinc/03/78/11/222037811.db2.gz KOGFXKVGGSOTEG-UHFFFAOYSA-N 0 0 377.916 4.744 50 0 GJAARN CCOc1ccc(NC(=S)N2CCCN(Cc3cc(C)ccc3C)C2)cc1 ZINC000058096628 222040080 /nfs/dbraw/zinc/04/00/80/222040080.db2.gz OOJYVOXEFZVRNL-UHFFFAOYSA-N 0 0 383.561 4.564 50 0 GJAARN O=C(CCc1ccccc1F)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000058157084 222040558 /nfs/dbraw/zinc/04/05/58/222040558.db2.gz CVDLCTRBFNTMBS-UHFFFAOYSA-N 0 0 383.467 4.805 50 0 GJAARN O=C(c1cc2c(cc1O)CCCC2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000058155302 222041007 /nfs/dbraw/zinc/04/10/07/222041007.db2.gz WSNPMRIQSYWOQL-UHFFFAOYSA-N 0 0 392.524 4.901 50 0 GJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000058167597 222042536 /nfs/dbraw/zinc/04/25/36/222042536.db2.gz FUBKUCOQTYPRQP-GOSISDBHSA-N 0 0 394.902 4.774 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1S[C@H](C)C(=O)OC ZINC000058198218 222043662 /nfs/dbraw/zinc/04/36/62/222043662.db2.gz OLUHXYWHQKDLCB-GFCCVEGCSA-N 0 0 397.949 4.717 50 0 GJAARN C[C@@]1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)CC1(Cl)Cl ZINC000058406784 222052408 /nfs/dbraw/zinc/05/24/08/222052408.db2.gz NAWJSUGRVYLTSD-LBPRGKRZSA-N 0 0 399.221 4.760 50 0 GJAARN C[C@H](Cc1c(F)cccc1F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000059853985 222057723 /nfs/dbraw/zinc/05/77/23/222057723.db2.gz KYYHNQVFRWFCLH-GFCCVEGCSA-N 0 0 386.364 4.756 50 0 GJAARN CCN(Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccc1C ZINC000059833650 222058376 /nfs/dbraw/zinc/05/83/76/222058376.db2.gz PBTPYSMBYBDJGI-UHFFFAOYSA-N 0 0 392.322 4.891 50 0 GJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000059735251 222058486 /nfs/dbraw/zinc/05/84/86/222058486.db2.gz SURRGHWOBPYHJP-UHFFFAOYSA-N 0 0 380.860 4.902 50 0 GJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nc(C)c(C)o3)nc(=O)c12 ZINC000060534471 222058990 /nfs/dbraw/zinc/05/89/90/222058990.db2.gz KFCQRZBVOHWKGA-VIFPVBQESA-N 0 0 377.535 4.779 50 0 GJAARN Cc1nc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCC3)cc2nc1C ZINC000061052875 222061313 /nfs/dbraw/zinc/06/13/13/222061313.db2.gz SCOQRMDXIMPBEV-UHFFFAOYSA-N 0 0 380.879 4.753 50 0 GJAARN Cc1ccc(-c2ncc(C(=O)Nc3c4ccccc4oc3C(N)=O)s2)c(C)c1 ZINC000061134279 222061324 /nfs/dbraw/zinc/06/13/24/222061324.db2.gz CGKAAEYOTSLGOC-UHFFFAOYSA-N 0 0 391.452 4.524 50 0 GJAARN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1c(F)cccc1F ZINC000061734470 222062306 /nfs/dbraw/zinc/06/23/06/222062306.db2.gz MURDHRQEFWRNPW-UHFFFAOYSA-N 0 0 380.394 4.888 50 0 GJAARN O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[nH]1 ZINC000061720256 222063252 /nfs/dbraw/zinc/06/32/52/222063252.db2.gz GEEVLENKBGHLRG-UHFFFAOYSA-N 0 0 393.830 4.753 50 0 GJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1nc(-c2ccccc2)ccc1=O ZINC000062012617 222065851 /nfs/dbraw/zinc/06/58/51/222065851.db2.gz HPKBBRAUOXGAQD-SFHVURJKSA-N 0 0 395.462 4.777 50 0 GJAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(F)c3)c(C(F)(F)F)c2)n1 ZINC000063332271 222067816 /nfs/dbraw/zinc/06/78/16/222067816.db2.gz AKYUQGVMGPSFFM-UHFFFAOYSA-N 0 0 391.368 4.577 50 0 GJAARN Cc1cc(C)c2nc(-c3cnn(C(C)C)c3)cc(C(=O)N3CCC[C@H]3C)c2c1 ZINC000063869439 222068763 /nfs/dbraw/zinc/06/87/63/222068763.db2.gz KDZMVPXINUCWRC-QGZVFWFLSA-N 0 0 376.504 4.921 50 0 GJAARN Cc1cccc2c(C(=O)N3CCC(C)(C)C3)cc(-c3cnc(C4CC4)nc3)nc12 ZINC000063847628 222069519 /nfs/dbraw/zinc/06/95/19/222069519.db2.gz OQYDXYYCHBDQIO-UHFFFAOYSA-N 0 0 386.499 4.750 50 0 GJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)cc5C)n3n2)CCC4)cc1 ZINC000064450025 222070433 /nfs/dbraw/zinc/07/04/33/222070433.db2.gz QDVNTDWEHGEPLJ-UHFFFAOYSA-N 0 0 387.462 4.703 50 0 GJAARN Cc1ccc(C)c(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)c1 ZINC000064471704 222071853 /nfs/dbraw/zinc/07/18/53/222071853.db2.gz CPWCPCJKEFOBRV-UHFFFAOYSA-N 0 0 395.503 4.923 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCc3ccccc3)cc12 ZINC000064567919 222075102 /nfs/dbraw/zinc/07/51/02/222075102.db2.gz HPMMDQDLDFOLQX-UHFFFAOYSA-N 0 0 379.460 4.507 50 0 GJAARN O=C(NCCc1ccccc1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578562 222075216 /nfs/dbraw/zinc/07/52/16/222075216.db2.gz WPDPIVSTEZGYCR-UHFFFAOYSA-N 0 0 395.462 4.908 50 0 biogenic GJAARN COc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc32)c1 ZINC000064568375 222075252 /nfs/dbraw/zinc/07/52/52/222075252.db2.gz AZSFKBKWXFBORV-UHFFFAOYSA-N 0 0 375.472 4.922 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)Cn1c(C(=O)OC(C)C)cc2ccsc21 ZINC000064659034 222076155 /nfs/dbraw/zinc/07/61/55/222076155.db2.gz ARDXZONVRRQPTM-UHFFFAOYSA-N 0 0 390.892 4.869 50 0 GJAARN CCOc1ccccc1CNc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000064676922 222079034 /nfs/dbraw/zinc/07/90/34/222079034.db2.gz QQJHWNXEPLUORX-UHFFFAOYSA-N 0 0 390.418 4.949 50 0 GJAARN C[C@H](NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1)c1cccnc1 ZINC000065229918 222113223 /nfs/dbraw/zinc/11/32/23/222113223.db2.gz JKQYUDKYECOHAD-AWEZNQCLSA-N 0 0 376.847 4.541 50 0 GJAARN Cc1nc(-n2nc(C)c(CC(=O)Nc3cccc(Cl)c3C)c2C)sc1C ZINC000064790331 222081836 /nfs/dbraw/zinc/08/18/36/222081836.db2.gz ULPCPTBUTZQCFM-UHFFFAOYSA-N 0 0 388.924 4.706 50 0 GJAARN Cc1ccc(C)c(OCCn2c3cc4c(cc3nc2C(F)(F)F)OCCO4)c1 ZINC000064814447 222083924 /nfs/dbraw/zinc/08/39/24/222083924.db2.gz SCPOCHZKNAUTTR-UHFFFAOYSA-N 0 0 392.377 4.522 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](C)C2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C)c1 ZINC000064847947 222085319 /nfs/dbraw/zinc/08/53/19/222085319.db2.gz SMPAQWJSWANVRW-KRWDZBQOSA-N 0 0 397.494 4.961 50 0 GJAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2ccc(F)cc2F)c1C ZINC000064845716 222085551 /nfs/dbraw/zinc/08/55/51/222085551.db2.gz BCBLJSRNROXCAV-UHFFFAOYSA-N 0 0 398.456 4.716 50 0 GJAARN CC(=O)c1sc(NC(=O)c2ccc(Cl)nc2Cl)nc1-c1ccccc1 ZINC000064869095 222086589 /nfs/dbraw/zinc/08/65/89/222086589.db2.gz XNKVEUARWMYSEV-UHFFFAOYSA-N 0 0 392.267 4.967 50 0 GJAARN Cc1nnc(-c2cn(CC(=O)Nc3ccc(Cl)cc3C)c3ccccc23)o1 ZINC000064929322 222087356 /nfs/dbraw/zinc/08/73/56/222087356.db2.gz PZYKONMFLUOTNP-UHFFFAOYSA-N 0 0 380.835 4.600 50 0 GJAARN Cc1ccc(Cn2ncc3ccc(C(=O)NCCCc4ccccc4)cc32)cc1 ZINC000064955919 222089230 /nfs/dbraw/zinc/08/92/30/222089230.db2.gz RVTSIEQZSUHVMN-UHFFFAOYSA-N 0 0 383.495 4.756 50 0 GJAARN COc1cccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)c1 ZINC000064955959 222089467 /nfs/dbraw/zinc/08/94/67/222089467.db2.gz PSPOMGCDLZYVPH-GOSISDBHSA-N 0 0 399.494 4.893 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSc1ccc(NCc2ccc(F)cc2)nn1 ZINC000064945026 222089851 /nfs/dbraw/zinc/08/98/51/222089851.db2.gz IOTRGIDBRGRWTM-UHFFFAOYSA-N 0 0 396.491 4.575 50 0 GJAARN O=C(NCCc1cccs1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000064956091 222089868 /nfs/dbraw/zinc/08/98/68/222089868.db2.gz HWODDHMDWJQZIG-UHFFFAOYSA-N 0 0 395.915 4.772 50 0 GJAARN Cc1ccc(C(=O)NC2CCCCC2)cc1NC(=O)c1nsc2ccccc21 ZINC000064972618 222090694 /nfs/dbraw/zinc/09/06/94/222090694.db2.gz GRCYDBUEHJHCGI-UHFFFAOYSA-N 0 0 393.512 4.920 50 0 GJAARN COc1cccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1 ZINC000064968077 222091201 /nfs/dbraw/zinc/09/12/01/222091201.db2.gz GHMIXOYWYFBIOJ-UHFFFAOYSA-N 0 0 386.451 4.552 50 0 biogenic GJAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000064984115 222092466 /nfs/dbraw/zinc/09/24/66/222092466.db2.gz MOUTWECKZWELPN-GOSISDBHSA-N 0 0 385.863 4.924 50 0 GJAARN Cn1cc(-c2nc(C(=O)Nc3cc(F)ccc3Cl)cs2)c2cccnc21 ZINC000065241057 222114362 /nfs/dbraw/zinc/11/43/62/222114362.db2.gz LUKIXHFDQYKLDW-UHFFFAOYSA-N 0 0 386.839 4.742 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3cccc(C)c3)cs2)c2cccnc21 ZINC000065240971 222114521 /nfs/dbraw/zinc/11/45/21/222114521.db2.gz YWLSPGCPRQPRRV-UHFFFAOYSA-N 0 0 376.485 4.669 50 0 GJAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(F)cc3Cl)n2)c1 ZINC000065320424 222123741 /nfs/dbraw/zinc/12/37/41/222123741.db2.gz QJIKGTXPPSNXHI-QGZVFWFLSA-N 0 0 385.826 4.815 50 0 GJAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000065331228 222124517 /nfs/dbraw/zinc/12/45/17/222124517.db2.gz ARLMZGHOZKJNAC-KRWDZBQOSA-N 0 0 381.863 4.787 50 0 GJAARN CO[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccc(CO)o1)c1cccs1 ZINC000065396294 222126340 /nfs/dbraw/zinc/12/63/40/222126340.db2.gz UMVDNWGNIAYMOG-SFHVURJKSA-N 0 0 380.469 4.752 50 0 GJAARN c1cc(Cn2cnc(-c3ccccc3)c2-c2ccc(Oc3ncccn3)cc2)on1 ZINC000065455581 222129298 /nfs/dbraw/zinc/12/92/98/222129298.db2.gz LBISRZLDSGXRMB-UHFFFAOYSA-N 0 0 395.422 4.836 50 0 GJAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000065491890 222130949 /nfs/dbraw/zinc/13/09/49/222130949.db2.gz AFRBYZMTHFGEIK-UHFFFAOYSA-N 0 0 393.299 4.862 50 0 GJAARN Cn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1 ZINC000065462948 222131059 /nfs/dbraw/zinc/13/10/59/222131059.db2.gz YBJASUVWKFUGCF-UHFFFAOYSA-N 0 0 398.297 4.895 50 0 GJAARN CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2)O[C@H](c2cccc3cnccc32)C1 ZINC000065494141 222131249 /nfs/dbraw/zinc/13/12/49/222131249.db2.gz FNDPKBQJLLIPTG-QIJUGHKUSA-N 0 0 380.875 4.986 50 0 GJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 ZINC000065491828 222131471 /nfs/dbraw/zinc/13/14/71/222131471.db2.gz SVXFYLQIFKGLAS-AOOOYVTPSA-N 0 0 385.352 4.752 50 0 GJAARN C[C@H](C(=O)Nc1ccc(Cl)c(F)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000065515387 222134007 /nfs/dbraw/zinc/13/40/07/222134007.db2.gz LIPYMZAIMQPZIC-MRVPVSSYSA-N 0 0 382.873 4.661 50 0 GJAARN Cc1cc(SCC(=O)Nc2ccc(F)cc2F)nc(-c2ccc(F)cc2)n1 ZINC000067257170 222141865 /nfs/dbraw/zinc/14/18/65/222141865.db2.gz ZBUDKXGGMMIKDO-UHFFFAOYSA-N 0 0 389.402 4.600 50 0 GJAARN Cc1cc(SCC(=O)Nc2cc(F)ccc2F)nc(-c2cccc(F)c2)n1 ZINC000067257407 222142407 /nfs/dbraw/zinc/14/24/07/222142407.db2.gz LZEOWPRQIAVVFO-UHFFFAOYSA-N 0 0 389.402 4.600 50 0 GJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCCc2ccccc2)c1 ZINC000067259220 222142410 /nfs/dbraw/zinc/14/24/10/222142410.db2.gz BEDMJWRGWKECNZ-UHFFFAOYSA-N 0 0 388.492 4.729 50 0 GJAARN Cc1cc(SCC(=O)Nc2ccc(Cl)cc2)nc(-c2cccc(F)c2)n1 ZINC000067257385 222142596 /nfs/dbraw/zinc/14/25/96/222142596.db2.gz FVVRYOGDQXJOSS-UHFFFAOYSA-N 0 0 387.867 4.975 50 0 GJAARN O=C(c1cnc2ccc(F)cc2c1NCCCc1ccccc1)N1CCCC1 ZINC000067288290 222143919 /nfs/dbraw/zinc/14/39/19/222143919.db2.gz QLVWHUJKCFORHA-UHFFFAOYSA-N 0 0 377.463 4.655 50 0 GJAARN O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F ZINC000067296297 222143992 /nfs/dbraw/zinc/14/39/92/222143992.db2.gz DHRXXLFEEKUZPF-DAFNUICNSA-N 0 0 377.350 4.591 50 0 GJAARN CCOc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)cc1 ZINC000067262181 222144049 /nfs/dbraw/zinc/14/40/49/222144049.db2.gz QLLYYEOMUJHTQR-UHFFFAOYSA-N 0 0 395.466 4.955 50 0 GJAARN CCOc1cccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)c1 ZINC000067288217 222144359 /nfs/dbraw/zinc/14/43/59/222144359.db2.gz ACKGOWLTUCJELF-UHFFFAOYSA-N 0 0 393.462 4.621 50 0 GJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)cc3)oc21 ZINC000067298904 222145011 /nfs/dbraw/zinc/14/50/11/222145011.db2.gz LFDLCNHFXKWCIL-BZZOAKBMSA-N 0 0 388.423 4.505 50 0 GJAARN Cc1c(F)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 ZINC000067298247 222145080 /nfs/dbraw/zinc/14/50/80/222145080.db2.gz PSGBFQWVZYPBBD-NMWGTECJSA-N 0 0 395.415 4.527 50 0 GJAARN CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000067321556 222145168 /nfs/dbraw/zinc/14/51/68/222145168.db2.gz UPUOCYAGIVFUFS-HYSRAYMDSA-N 0 0 390.483 4.908 50 0 GJAARN Cc1nc2c(s1)CCC[C@@H]2n1cnc(-c2ccccc2)c1-c1nc[nH]c1C ZINC000067605412 222149809 /nfs/dbraw/zinc/14/98/09/222149809.db2.gz ZNRNQVVQXQFNOM-INIZCTEOSA-N 0 0 375.501 4.939 50 0 GJAARN O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccc(O)cc1 ZINC000067742050 222158068 /nfs/dbraw/zinc/15/80/68/222158068.db2.gz LKHYEQZPTXMQSB-UHFFFAOYSA-N 0 0 388.345 4.528 50 0 GJAARN c1ccc(C(c2n[nH]c3c2CN(Cc2cccnc2)CC3)c2ccccc2)cc1 ZINC000067867927 222163190 /nfs/dbraw/zinc/16/31/90/222163190.db2.gz JFZHZJHVLMLWLD-UHFFFAOYSA-N 0 0 380.495 4.543 50 0 GJAARN c1ccc(C(c2n[nH]c3c2CN(Cc2ccccn2)CC3)c2ccccc2)cc1 ZINC000067884233 222165947 /nfs/dbraw/zinc/16/59/47/222165947.db2.gz PRQKXCURJOWLQV-UHFFFAOYSA-N 0 0 380.495 4.543 50 0 GJAARN Cc1ccc(-c2cc(O)c3c(c2)CN(c2cc(C(C)C)ncn2)CCO3)s1 ZINC000067934145 222167955 /nfs/dbraw/zinc/16/79/55/222167955.db2.gz MZMYPPJWXMJCBE-UHFFFAOYSA-N 0 0 381.501 4.742 50 0 GJAARN Cc1cc(C)nc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)n1 ZINC000067966328 222169085 /nfs/dbraw/zinc/16/90/85/222169085.db2.gz QQISMGHWWSZMQP-UHFFFAOYSA-N 0 0 395.890 4.514 50 0 GJAARN O[C@H](Cn1cnc(-c2ccccc2)c1-c1cc2ccccc2[nH]1)c1cccnc1 ZINC000067955735 222170213 /nfs/dbraw/zinc/17/02/13/222170213.db2.gz ADTLESBHHOTPIC-JOCHJYFZSA-N 0 0 380.451 4.827 50 0 GJAARN COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1 ZINC000068339502 222170706 /nfs/dbraw/zinc/17/07/06/222170706.db2.gz RVVYNPGGXLXMHD-OAQYLSRUSA-N 0 0 393.462 4.521 50 0 GJAARN Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cc2sc(N)nc21 ZINC000071752653 222191002 /nfs/dbraw/zinc/19/10/02/222191002.db2.gz PSVOGWQFINFUIA-INIZCTEOSA-N 0 0 397.519 4.811 50 0 GJAARN Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H]1CCc2ccccc21 ZINC000071326518 222179691 /nfs/dbraw/zinc/17/96/91/222179691.db2.gz PUBWRDVBSRGNKW-IBGZPJMESA-N 0 0 377.513 4.523 50 0 GJAARN Fc1cccc(-c2nnc([C@@H]3CC34CCN(c3nc5ccccc5o3)CC4)o2)c1 ZINC000071890502 222199680 /nfs/dbraw/zinc/19/96/80/222199680.db2.gz YSPCBUNKDLVRAJ-INIZCTEOSA-N 0 0 390.418 4.791 50 0 GJAARN CCC(CC)(C1=N[C@@H](Cc2ccccc2)CO1)C1=N[C@@H](Cc2ccccc2)CO1 ZINC000072099164 222205086 /nfs/dbraw/zinc/20/50/86/222205086.db2.gz ZIDQHNROIGAKIB-VXKWHMMOSA-N 0 0 390.527 4.873 50 0 GJAARN COCc1nn2c(nccc2-c2ccc(OC)cc2)c1-c1ccc(Cl)cc1 ZINC000072115978 222207356 /nfs/dbraw/zinc/20/73/56/222207356.db2.gz TUDNROMMOTWGPW-UHFFFAOYSA-N 0 0 379.847 4.872 50 0 GJAARN CC(C)Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)on1 ZINC000072168327 222215533 /nfs/dbraw/zinc/21/55/33/222215533.db2.gz IJLUHYFWVNQROD-FQEVSTJZSA-N 0 0 390.483 4.761 50 0 GJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000072277161 222218365 /nfs/dbraw/zinc/21/83/65/222218365.db2.gz ANACECSEBDFWQV-IEBWSBKVSA-N 0 0 398.938 4.529 50 0 GJAARN O=C(CCC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000072271169 222218478 /nfs/dbraw/zinc/21/84/78/222218478.db2.gz JHJIQXHRYMZSBL-VWLOTQADSA-N 0 0 399.490 4.917 50 0 GJAARN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000072301627 222220121 /nfs/dbraw/zinc/22/01/21/222220121.db2.gz QWBLPIMTMFGXBJ-RKVPGOIHSA-N 0 0 391.920 4.587 50 0 GJAARN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1c(F)cc(F)cc1F ZINC000072305113 222221168 /nfs/dbraw/zinc/22/11/68/222221168.db2.gz YARDGVKJBMIEEV-UHFFFAOYSA-N 0 0 387.386 4.661 50 0 GJAARN Cn1c(CCCNc2nc(-c3cccnc3)nc3ccccc32)nc2ccccc21 ZINC000072307704 222221301 /nfs/dbraw/zinc/22/13/01/222221301.db2.gz UAQVSJMDXFVVEY-UHFFFAOYSA-N 0 0 394.482 4.623 50 0 GJAARN Cn1ccc2c1cccc2NC(=O)Cn1ccc2ccc(Br)cc21 ZINC000072324845 222227494 /nfs/dbraw/zinc/22/74/94/222227494.db2.gz FZMDVYWWMQKNIL-UHFFFAOYSA-N 0 0 382.261 4.534 50 0 biogenic GJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2Cl)cc1Cl ZINC000072329326 222228522 /nfs/dbraw/zinc/22/85/22/222228522.db2.gz UWELTANTOKBGPK-UHFFFAOYSA-N 0 0 390.270 4.712 50 0 GJAARN Cc1cccnc1NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000072404111 222253692 /nfs/dbraw/zinc/25/36/92/222253692.db2.gz GCERTAMQBHMFSB-HNNXBMFYSA-N 0 0 379.287 4.847 50 0 GJAARN COc1cc([C@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)ccc1O ZINC000072404919 222255995 /nfs/dbraw/zinc/25/59/95/222255995.db2.gz LQXMBFXLJSXSKX-HXUWFJFHSA-N 0 0 379.485 4.840 50 0 GJAARN Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc(=S)n1-c1ccccc1 ZINC000072408174 222256058 /nfs/dbraw/zinc/25/60/58/222256058.db2.gz JREIRYRAMQCFII-UHFFFAOYSA-N 0 0 379.869 4.895 50 0 GJAARN CC(C)CCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649685 222325478 /nfs/dbraw/zinc/32/54/78/222325478.db2.gz JHFITEWNISPRJC-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](SCc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000094992805 222329534 /nfs/dbraw/zinc/32/95/34/222329534.db2.gz XHWLEPJOGCPKMU-QHCPKHFHSA-N 0 0 375.493 4.867 50 0 GJAARN Cc1cccc(NC(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000077200386 222276585 /nfs/dbraw/zinc/27/65/85/222276585.db2.gz NNHBDYKSVSWGKZ-RBUKOAKNSA-N 0 0 385.439 4.816 50 0 GJAARN O=C(Cc1ccccc1Cl)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077200198 222276622 /nfs/dbraw/zinc/27/66/22/222276622.db2.gz FIKTZLJOURMSRC-MSOLQXFVSA-N 0 0 386.879 4.559 50 0 GJAARN O=C(c1conc1-c1ccccc1)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000077424484 222280416 /nfs/dbraw/zinc/28/04/16/222280416.db2.gz UDJKOCGBUQARRT-UHFFFAOYSA-N 0 0 377.831 4.675 50 0 GJAARN CCN(C(=O)[C@@H](C)[S@@](=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000078556046 222297180 /nfs/dbraw/zinc/29/71/80/222297180.db2.gz YLYSVNUUJOKYJF-YEBMWUKDSA-N 0 0 384.328 4.684 50 0 GJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000079019521 222299955 /nfs/dbraw/zinc/29/99/55/222299955.db2.gz NZFGGKAJJOKZHP-MRXNPFEDSA-N 0 0 382.464 4.600 50 0 GJAARN COCc1nc2scc(-c3ccccc3)c2c(N(C)Cc2cnc(C)s2)n1 ZINC000084290593 222313734 /nfs/dbraw/zinc/31/37/34/222313734.db2.gz RUCVMKUSDKIZKI-UHFFFAOYSA-N 0 0 396.541 4.906 50 0 GJAARN O=C(NCC(F)(F)F)c1cc(-c2nc3ccccc3s2)nc2ccccc21 ZINC000095948063 222361986 /nfs/dbraw/zinc/36/19/86/222361986.db2.gz AVDPUFJBPIPLNC-UHFFFAOYSA-N 0 0 387.386 4.804 50 0 GJAARN CC(C)n1c2ccccc2nc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000095941371 222362084 /nfs/dbraw/zinc/36/20/84/222362084.db2.gz HGQMZYPPJOJDLH-UONOGXRCSA-N 0 0 386.446 4.573 50 0 GJAARN Cc1sc(NC(=O)c2cnc(-c3cnn(C)c3)s2)nc1-c1ccc(C)cc1 ZINC000095958388 222363405 /nfs/dbraw/zinc/36/34/05/222363405.db2.gz JIZXLYNRSCXGFV-UHFFFAOYSA-N 0 0 395.513 4.536 50 0 GJAARN CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(NC(=O)NC2CC2)c1 ZINC000095958909 222364450 /nfs/dbraw/zinc/36/44/50/222364450.db2.gz CRBZKDCAQXQHQG-NRFANRHFSA-N 0 0 394.519 4.509 50 0 GJAARN CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cccc(C)c3F)n2)cc1 ZINC000095965972 222365748 /nfs/dbraw/zinc/36/57/48/222365748.db2.gz LPOKTBQGCCJKMG-CYBMUJFWSA-N 0 0 397.475 4.707 50 0 GJAARN CCc1nn(C)c(Cl)c1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000095981662 222367255 /nfs/dbraw/zinc/36/72/55/222367255.db2.gz LSAQEZRQSGPCAR-UHFFFAOYSA-N 0 0 395.315 4.974 50 0 GJAARN O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)c1ccc(Cl)cc1 ZINC000096024382 222373411 /nfs/dbraw/zinc/37/34/11/222373411.db2.gz SKQDXSCRXZDARF-UHFFFAOYSA-N 0 0 387.892 4.514 50 0 GJAARN CC[C@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096096044 222378611 /nfs/dbraw/zinc/37/86/11/222378611.db2.gz QGZLGJKUMYNYLR-CNONWXTFSA-N 0 0 391.471 4.662 50 0 GJAARN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096096046 222379233 /nfs/dbraw/zinc/37/92/33/222379233.db2.gz QGZLGJKUMYNYLR-NLGZVZEPSA-N 0 0 391.471 4.662 50 0 GJAARN CCSc1ccccc1C(=O)NCC1(Sc2ccccc2)CCOCC1 ZINC000096331071 222412645 /nfs/dbraw/zinc/41/26/45/222412645.db2.gz YRRAKDKEVUEKRR-UHFFFAOYSA-N 0 0 387.570 4.870 50 0 GJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2C)c1 ZINC000096397277 222419059 /nfs/dbraw/zinc/41/90/59/222419059.db2.gz PAKBILSKJFUHDC-UHFFFAOYSA-N 0 0 390.418 4.595 50 0 GJAARN CCn1c(-c2cc(NC(=O)CC3CCCCC3)n[nH]2)cc2c1cccc2OC ZINC000096398639 222419484 /nfs/dbraw/zinc/41/94/84/222419484.db2.gz VZMWSBAMBFDEOO-UHFFFAOYSA-N 0 0 380.492 4.969 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)OC[C@@H]1CC1(Cl)Cl ZINC000096809756 222425487 /nfs/dbraw/zinc/42/54/87/222425487.db2.gz ANGBYDJMCCSQNY-JJEJIETFSA-N 0 0 393.314 4.607 50 0 GJAARN Cc1ccc(C[C@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@@H]2C)cc1 ZINC000100174034 222457127 /nfs/dbraw/zinc/45/71/27/222457127.db2.gz PRZOYCUDJDYFQE-OFZZYVORSA-N 0 0 379.544 4.765 50 0 GJAARN C[S@](=O)(=NC(=O)c1ccc(-c2ccccn2)s1)c1ccc(Cl)cc1 ZINC000100218477 222457145 /nfs/dbraw/zinc/45/71/45/222457145.db2.gz GANILZLIGJDQPS-XMMPIXPASA-N 0 0 376.890 4.761 50 0 GJAARN CCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000102571397 222482643 /nfs/dbraw/zinc/48/26/43/222482643.db2.gz QVCNIWILIMHOHS-VGOFRKELSA-N 0 0 386.455 4.742 50 0 GJAARN C[C@@H](NS(=O)(=O)c1ccc(Br)c2ccccc21)c1ccccc1 ZINC000170615102 222556369 /nfs/dbraw/zinc/55/63/69/222556369.db2.gz SLHDQKBHRWBDJM-CYBMUJFWSA-N 0 0 390.302 4.642 50 0 GJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000023272842 533947185 /nfs/dbraw/zinc/94/71/85/533947185.db2.gz JOWPVKBQXHHMOD-CYBMUJFWSA-N 0 0 390.270 4.644 50 0 GJAARN Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)c2ccc(C)s2)s1 ZINC000095436607 534258789 /nfs/dbraw/zinc/25/87/89/534258789.db2.gz KXHYCSRARBNDDS-IYBDPMFKSA-N 0 0 390.574 4.582 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615433 534386674 /nfs/dbraw/zinc/38/66/74/534386674.db2.gz CAZNEMORAWJZOJ-AWEZNQCLSA-N 0 0 386.732 4.630 50 0 GJAARN O=C(NCCc1coc(-c2ccccc2)n1)c1cc(C2CC2)nc2ccccc21 ZINC000089851332 534497973 /nfs/dbraw/zinc/49/79/73/534497973.db2.gz KQFDZIJTCXGIRJ-UHFFFAOYSA-N 0 0 383.451 4.740 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1nc2ccccc2o1 ZINC000008193186 534595358 /nfs/dbraw/zinc/59/53/58/534595358.db2.gz OBGSBDFZVWWPHO-UHFFFAOYSA-N 0 0 386.766 4.941 50 0 GJAARN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000003448057 522077582 /nfs/dbraw/zinc/07/75/82/522077582.db2.gz KXCNGXBJDVGGFE-HNNXBMFYSA-N 0 0 393.512 4.836 50 0 GJAARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc2ccccc2cc1OC ZINC000003322738 524067937 /nfs/dbraw/zinc/06/79/37/524067937.db2.gz MXNNVXNBWSWOER-UHFFFAOYSA-N 0 0 391.467 4.769 50 0 GJAARN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)o1 ZINC000029884913 524859194 /nfs/dbraw/zinc/85/91/94/524859194.db2.gz KKQHUMVPIQXLHI-KSSFIOAISA-N 0 0 383.879 4.573 50 0 GJAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000252020885 526522015 /nfs/dbraw/zinc/52/20/15/526522015.db2.gz YHMKCBDMHLARDL-QHAWAJNXSA-N 0 0 396.531 4.888 50 0 GJAARN O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NCc1ccccc1 ZINC000003448383 526918188 /nfs/dbraw/zinc/91/81/88/526918188.db2.gz DQVDSKTYZHSOJA-UHFFFAOYSA-N 0 0 394.279 4.681 50 0 GJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1-n1cccc1 ZINC000426407538 528520888 /nfs/dbraw/zinc/52/08/88/528520888.db2.gz LVZDUDYHEKZMIR-GOSISDBHSA-N 0 0 380.448 4.541 50 0 GJAARN CC[C@H](CNC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1 ZINC000043950221 529354255 /nfs/dbraw/zinc/35/42/55/529354255.db2.gz AVFNCHHXLOUXQL-CQSZACIVSA-N 0 0 393.409 4.979 50 0 GJAARN COc1ccccc1N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000007983491 537066911 /nfs/dbraw/zinc/06/69/11/537066911.db2.gz ONVIOWSQORBNIC-UHFFFAOYSA-N 0 0 396.874 4.571 50 0 GJAARN COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCCCC3)n2)c1 ZINC000061997340 537069768 /nfs/dbraw/zinc/06/97/68/537069768.db2.gz MMZZDEPQSXUHOU-UHFFFAOYSA-N 0 0 386.455 4.951 50 0 GJAARN 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COc1ccc(-c2nc(-c3nnc(Nc4ccc(C)cc4)s3)c(N)o2)cc1 ZINC000035681786 570413454 /nfs/dbraw/zinc/41/34/54/570413454.db2.gz MSXBMGJGWLKRKO-UHFFFAOYSA-N 0 0 379.445 4.503 50 0 GJAARN COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000004865777 570413585 /nfs/dbraw/zinc/41/35/85/570413585.db2.gz IFWWBENPXMRLED-UHFFFAOYSA-N 0 0 376.456 4.633 50 0 GJAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)c1 ZINC000005083719 570413655 /nfs/dbraw/zinc/41/36/55/570413655.db2.gz IDIWDHMISKMDEH-UHFFFAOYSA-N 0 0 393.468 4.641 50 0 GJAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000004872914 570414422 /nfs/dbraw/zinc/41/44/22/570414422.db2.gz NRMZJYSNCDDPDV-UHFFFAOYSA-N 0 0 388.920 4.697 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(O)cc2)on1 ZINC000004880654 570414884 /nfs/dbraw/zinc/41/48/84/570414884.db2.gz MIXHTXNPSFROEF-UHFFFAOYSA-N 0 0 382.725 4.972 50 0 GJAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)c(OC)c1 ZINC000004881173 570415040 /nfs/dbraw/zinc/41/50/40/570415040.db2.gz 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ZINC000005106924 570418072 /nfs/dbraw/zinc/41/80/72/570418072.db2.gz DPRDXCRMHJENOJ-UHFFFAOYSA-N 0 0 390.395 4.929 50 0 GJAARN Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)sc2c1 ZINC000005115023 570419772 /nfs/dbraw/zinc/41/97/72/570419772.db2.gz DOVGGDQFZJUXDW-UHFFFAOYSA-N 0 0 389.524 4.966 50 0 GJAARN Cc1cccc(NC(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c1 ZINC000032950189 570422001 /nfs/dbraw/zinc/42/20/01/570422001.db2.gz CDKUYTNINJHGMJ-UHFFFAOYSA-N 0 0 391.519 4.807 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1N1CCCCC1 ZINC000004998896 570422673 /nfs/dbraw/zinc/42/26/73/570422673.db2.gz SMPBJPDBXSBPKS-UHFFFAOYSA-N 0 0 393.531 4.928 50 0 GJAARN Cc1cc2c(cc(C(=O)NC[C@@H]3CCCO3)n2Cc2cccc(Cl)c2)s1 ZINC000037541393 570423244 /nfs/dbraw/zinc/42/32/44/570423244.db2.gz WLKANGDLPJHRES-INIZCTEOSA-N 0 0 388.920 4.622 50 0 GJAARN Cc1cc2sc(N3CCC(C(=O)NCc4cccc(F)c4)CC3)nc2c(C)c1 ZINC000005137151 570423722 /nfs/dbraw/zinc/42/37/22/570423722.db2.gz GBWRUUNFYWWWPR-UHFFFAOYSA-N 0 0 397.519 4.585 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(C(F)(F)F)cc1 ZINC000005136131 570424349 /nfs/dbraw/zinc/42/43/49/570424349.db2.gz VHWAQPBECPITSW-UHFFFAOYSA-N 0 0 388.389 4.647 50 0 GJAARN CCCN1c2ccccc2[C@]2(Nc3ccccc3-c3nc4ccccc4n32)C1=O ZINC000005028303 570424937 /nfs/dbraw/zinc/42/49/37/570424937.db2.gz LWBKWNWLHNVMHJ-XMMPIXPASA-N 0 0 380.451 4.587 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000001801440 570425789 /nfs/dbraw/zinc/42/57/89/570425789.db2.gz VYYRCJDXFGNMIW-UHFFFAOYSA-N 0 0 382.243 4.578 50 0 GJAARN CCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nn(C)c1C ZINC000053954478 570425792 /nfs/dbraw/zinc/42/57/92/570425792.db2.gz ZSIYEHLKQHHEJY-UHFFFAOYSA-N 0 0 381.520 4.717 50 0 GJAARN CCCCNC(=O)c1cccc(CSc2ccc(-c3ccccc3)nn2)c1 ZINC000035730067 570426627 /nfs/dbraw/zinc/42/66/27/570426627.db2.gz DVFVHAKWSQKKJX-UHFFFAOYSA-N 0 0 377.513 4.966 50 0 GJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)Nc2cccc(F)c2)c1C ZINC000005054143 570426798 /nfs/dbraw/zinc/42/67/98/570426798.db2.gz GSAJDRLTIXTZKL-UHFFFAOYSA-N 0 0 394.446 4.726 50 0 GJAARN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)OCc1ccc(Cl)nc1 ZINC000026565871 570426920 /nfs/dbraw/zinc/42/69/20/570426920.db2.gz HDDFKZBPFDBVBB-UHFFFAOYSA-N 0 0 379.268 4.798 50 0 GJAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)cc1F ZINC000005147301 570427287 /nfs/dbraw/zinc/42/72/87/570427287.db2.gz XCEINUFTELSYCS-UHFFFAOYSA-N 0 0 387.386 4.661 50 0 GJAARN Cc1cc(C)cc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 ZINC000005147330 570427412 /nfs/dbraw/zinc/42/74/12/570427412.db2.gz LNOPUHWQPXUVBH-UHFFFAOYSA-N 0 0 379.460 5.000 50 0 GJAARN Cc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)Nc2ccc(C)cc2)o1 ZINC000005061398 570427497 /nfs/dbraw/zinc/42/74/97/570427497.db2.gz OBLYWZFTZIJZJG-DEDYPNTBSA-N 0 0 394.858 4.959 50 0 GJAARN CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000026850101 570429201 /nfs/dbraw/zinc/42/92/01/570429201.db2.gz WNOSDTICSKTWCR-UHFFFAOYSA-N 0 0 387.361 4.732 50 0 GJAARN Nc1c(C(=O)Nc2ccccc2)sc(=S)n1-c1ccc(F)c(Cl)c1 ZINC000032952410 570429494 /nfs/dbraw/zinc/42/94/94/570429494.db2.gz VKSWIZAJTJONDI-UHFFFAOYSA-N 0 0 379.869 4.895 50 0 GJAARN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000241121734 570431098 /nfs/dbraw/zinc/43/10/98/570431098.db2.gz JDPAWMCRBTZKDE-QRVBRYPASA-N 0 0 375.896 4.899 50 0 GJAARN CCc1nc2c3ccccc3oc2c(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000005155557 570432710 /nfs/dbraw/zinc/43/27/10/570432710.db2.gz CQWHWRDCORFTNL-UHFFFAOYSA-N 0 0 392.890 4.918 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccco1 ZINC000005156042 570433378 /nfs/dbraw/zinc/43/33/78/570433378.db2.gz XBPOALPDUIGPFB-IBGZPJMESA-N 0 0 391.810 4.785 50 0 GJAARN O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1 ZINC000027693092 570440175 /nfs/dbraw/zinc/44/01/75/570440175.db2.gz LAXPFJQYCXDLQV-UHFFFAOYSA-N 0 0 375.859 4.919 50 0 GJAARN Cc1ccccc1COC(=O)[C@H](NC(=O)Cc1cccc2ccccc21)C(C)C ZINC000032954651 570440329 /nfs/dbraw/zinc/44/03/29/570440329.db2.gz AHAMUHDJHWAXDO-XMMPIXPASA-N 0 0 389.495 4.575 50 0 GJAARN CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1F ZINC000005477578 570441271 /nfs/dbraw/zinc/44/12/71/570441271.db2.gz ICMOYSYROXVKRC-UHFFFAOYSA-N 0 0 377.872 4.962 50 0 GJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1SC[C@@H]1CCCO1 ZINC000027765403 570442159 /nfs/dbraw/zinc/44/21/59/570442159.db2.gz LQXYLYRPHNWLHX-INIZCTEOSA-N 0 0 395.446 4.907 50 0 GJAARN NC(=O)c1c2c(sc1NC(=O)C(F)(F)F)CCCCCCCCCC2 ZINC000005517209 570444021 /nfs/dbraw/zinc/44/40/21/570444021.db2.gz OQEWIDMGLMRTAQ-UHFFFAOYSA-N 0 0 376.444 4.567 50 0 GJAARN Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)c(C)c1 ZINC000006472572 570444624 /nfs/dbraw/zinc/44/46/24/570444624.db2.gz OGVKBJNYIWOHOO-UHFFFAOYSA-N 0 0 376.437 4.786 50 0 GJAARN Cc1ccc(-c2nsc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000011914376 570447637 /nfs/dbraw/zinc/44/76/37/570447637.db2.gz YUUAJMYOXQFUQU-UHFFFAOYSA-N 0 0 387.892 4.801 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000011914655 570447789 /nfs/dbraw/zinc/44/77/89/570447789.db2.gz BABLXAFBVWGHDI-UHFFFAOYSA-N 0 0 381.432 4.565 50 0 GJAARN Cn1c2c(ccc3ccccc23)s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000100819340 570451100 /nfs/dbraw/zinc/45/11/00/570451100.db2.gz VEEOGFMXMDJZFD-XDOYNYLZSA-N 0 0 375.478 4.744 50 0 GJAARN CCN(C(=O)CSc1nc2ccccc2nc1C)c1nc2ccccc2s1 ZINC000028191309 570451782 /nfs/dbraw/zinc/45/17/82/570451782.db2.gz YADGVGSRYSQAAD-UHFFFAOYSA-N 0 0 394.525 4.693 50 0 GJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4)cc3)nn2)c(C)c1C ZINC000011027670 570452161 /nfs/dbraw/zinc/45/21/61/570452161.db2.gz ZEJTWEFMNIRSNC-UHFFFAOYSA-N 0 0 398.470 4.583 50 0 GJAARN CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2cccnc12 ZINC000028293582 570457154 /nfs/dbraw/zinc/45/71/54/570457154.db2.gz BUEZXRKWMSBOAN-OAHLLOKOSA-N 0 0 382.435 4.959 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1SC(F)F ZINC000028337183 570458055 /nfs/dbraw/zinc/45/80/55/570458055.db2.gz XTCABPKAKATFSO-UHFFFAOYSA-N 0 0 387.455 4.985 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccnc(Cl)c1)CC2 ZINC000072276949 570462088 /nfs/dbraw/zinc/46/20/88/570462088.db2.gz WIIZDNMWEJJIHW-QHCPKHFHSA-N 0 0 394.902 4.900 50 0 GJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3ncccc3c2)cc1Cl ZINC000072276945 570462120 /nfs/dbraw/zinc/46/21/20/570462120.db2.gz KLUAQAGJTZFLNZ-UHFFFAOYSA-N 0 0 381.863 4.623 50 0 GJAARN CCOc1ccccc1NC(=O)c1nc2cc(C)c(C)cc2nc1OC(C)C ZINC000064439028 570462887 /nfs/dbraw/zinc/46/28/87/570462887.db2.gz VWXWBSQDARYLKQ-UHFFFAOYSA-N 0 0 379.460 4.685 50 0 GJAARN Cc1cccc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccccc3)n2)c1 ZINC000035845221 570464306 /nfs/dbraw/zinc/46/43/06/570464306.db2.gz IWUUHMQFVLPXPN-NRFANRHFSA-N 0 0 383.451 4.759 50 0 GJAARN C=CCOc1ccccc1/C=C1/N=C(c2cc(F)c(F)cc2Cl)OC1=O ZINC000002080965 570465318 /nfs/dbraw/zinc/46/53/18/570465318.db2.gz PPOFZAFXXTWXBI-LZYBPNLTSA-N 0 0 375.758 4.528 50 0 GJAARN COc1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000131379468 570465636 /nfs/dbraw/zinc/46/56/36/570465636.db2.gz WJVAADXLRXKEFK-UHFFFAOYSA-N 0 0 387.432 4.832 50 0 GJAARN Cc1ccc(C)c(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)c1 ZINC000064471757 570467425 /nfs/dbraw/zinc/46/74/25/570467425.db2.gz JMMONTMEPDJDDX-UHFFFAOYSA-N 0 0 377.513 4.784 50 0 GJAARN CC[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccccc2)C1=O ZINC000035873004 570469115 /nfs/dbraw/zinc/46/91/15/570469115.db2.gz VYELIZKATXTWDD-HXUWFJFHSA-N 0 0 394.515 4.761 50 0 GJAARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)cc4Cl)c(C)c3)nn12 ZINC000006203735 570471728 /nfs/dbraw/zinc/47/17/28/570471728.db2.gz LRJHDMFMRTYDMU-UHFFFAOYSA-N 0 0 397.891 4.684 50 0 GJAARN Cc1c(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cnn1-c1ccccc1 ZINC000252498639 570474675 /nfs/dbraw/zinc/47/46/75/570474675.db2.gz RGOCRFBPIYOVAP-MRXNPFEDSA-N 0 0 396.441 4.870 50 0 GJAARN COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)o1 ZINC000006552887 570474775 /nfs/dbraw/zinc/47/47/75/570474775.db2.gz AAEMATKHXUBFPG-UHFFFAOYSA-N 0 0 397.481 4.668 50 0 GJAARN O=C(COc1cc(-c2ccccc2)nc(C(F)(F)F)c1)Nc1ccc(F)cc1 ZINC000006551009 570475380 /nfs/dbraw/zinc/47/53/80/570475380.db2.gz PAWUZGKUOSQRKE-UHFFFAOYSA-N 0 0 390.336 4.924 50 0 GJAARN CC[C@H]1CCc2c(sc3[nH]c(Cc4nc5ccccc5s4)nc(=O)c23)C1 ZINC000006551194 570475871 /nfs/dbraw/zinc/47/58/71/570475871.db2.gz AYANBPMWZXRIAW-NSHDSACASA-N 0 0 381.526 4.700 50 0 GJAARN O=C(CSc1ccccc1Br)N1CCSc2ccccc21 ZINC000029745019 570478984 /nfs/dbraw/zinc/47/89/84/570478984.db2.gz MLTYXRTYUOETQP-UHFFFAOYSA-N 0 0 380.332 4.680 50 0 GJAARN CC(C)n1c(CCNC(=O)Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000072288860 570479806 /nfs/dbraw/zinc/47/98/06/570479806.db2.gz FFFYQXSDEIAIMH-UHFFFAOYSA-N 0 0 390.314 4.825 50 0 GJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000006553701 570483147 /nfs/dbraw/zinc/48/31/47/570483147.db2.gz MSIHRQSZRFTLNQ-UHFFFAOYSA-N 0 0 382.382 4.894 50 0 GJAARN COc1cccc2c(Nc3cccc(F)c3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568483 570483655 /nfs/dbraw/zinc/48/36/55/570483655.db2.gz RQLCEBQEIZLCRT-UHFFFAOYSA-N 0 0 379.435 4.752 50 0 GJAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nc3ccccc3o2)s1 ZINC000006590826 570488249 /nfs/dbraw/zinc/48/82/49/570488249.db2.gz AQZHQGBYXPOHDP-UHFFFAOYSA-N 0 0 388.514 4.527 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3)cc2)cc1C ZINC000006700887 570488532 /nfs/dbraw/zinc/48/85/32/570488532.db2.gz WGROGJMEBWZMJE-UHFFFAOYSA-N 0 0 393.508 4.671 50 0 GJAARN Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(C)cc2)cc1 ZINC000006720310 570489857 /nfs/dbraw/zinc/48/98/57/570489857.db2.gz IIQWUHIWAXFABY-UHFFFAOYSA-N 0 0 392.462 4.855 50 0 GJAARN CC(C)CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000006602336 570491812 /nfs/dbraw/zinc/49/18/12/570491812.db2.gz HWCYGJQNQRFSGV-UHFFFAOYSA-N 0 0 390.593 4.784 50 0 GJAARN O=C1c2ccccc2C(=O)N1CCCCSc1nc(-c2ccccc2)cs1 ZINC000006602628 570491931 /nfs/dbraw/zinc/49/19/31/570491931.db2.gz YMGBEVRIPUWPGJ-UHFFFAOYSA-N 0 0 394.521 4.979 50 0 GJAARN Cc1nc2ccc(F)cc2n1C1CCN(C(=O)Cc2cc(C)ccc2C)CC1 ZINC000022667490 570492766 /nfs/dbraw/zinc/49/27/66/570492766.db2.gz BSRRVQSGJHCCNC-UHFFFAOYSA-N 0 0 379.479 4.507 50 0 GJAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)NCCC3=CCCCC3)n[nH]2)cc1 ZINC000005180048 570495055 /nfs/dbraw/zinc/49/50/55/570495055.db2.gz QYBNRIOLSRETQB-HNNXBMFYSA-N 0 0 384.549 4.521 50 0 GJAARN C[C@H]1c2cccn2CCN1C(=O)CSC(c1ccccc1)c1ccccc1 ZINC000030796457 570496048 /nfs/dbraw/zinc/49/60/48/570496048.db2.gz AJEKHCWAJKROPJ-SFHVURJKSA-N 0 0 376.525 4.914 50 0 GJAARN Cc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1F ZINC000005185939 570497824 /nfs/dbraw/zinc/49/78/24/570497824.db2.gz LPYCTJSZYVTZSM-UHFFFAOYSA-N 0 0 389.430 4.702 50 0 GJAARN O=C(c1ccccc1Br)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011071466 570497772 /nfs/dbraw/zinc/49/77/72/570497772.db2.gz UIDVWNHTZFKMBU-UHFFFAOYSA-N 0 0 381.273 4.860 50 0 GJAARN CCn1c2ccccc2nc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000005185342 570497942 /nfs/dbraw/zinc/49/79/42/570497942.db2.gz RDDOKSKEXWEZDL-HXUWFJFHSA-N 0 0 379.529 4.902 50 0 GJAARN O=C(c1ccccc1)c1ccc2nc(Nc3ccccc3Cl)c3nncn3c2c1 ZINC000006901573 570498755 /nfs/dbraw/zinc/49/87/55/570498755.db2.gz 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CCCOC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002755982 570513698 /nfs/dbraw/zinc/51/36/98/570513698.db2.gz XBJYCPDSBZZZGQ-UHFFFAOYSA-N 0 0 383.227 4.545 50 0 GJAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064664888 570513815 /nfs/dbraw/zinc/51/38/15/570513815.db2.gz OWULMWDQMPXMFG-UHFFFAOYSA-N 0 0 399.494 4.722 50 0 GJAARN O=C(c1cc(-c2ccccc2)nc2ccc(Br)cc21)N1CCCC1 ZINC000002758428 570513803 /nfs/dbraw/zinc/51/38/03/570513803.db2.gz LYUKCOKFSVXPNE-UHFFFAOYSA-N 0 0 381.273 4.900 50 0 GJAARN COCCNc1c(-c2ccc(N(C)C)cc2)nc2sc3cc(C)ccc3n21 ZINC000064668439 570514722 /nfs/dbraw/zinc/51/47/22/570514722.db2.gz LFFTZWLEUZXZDD-UHFFFAOYSA-N 0 0 380.517 4.649 50 0 GJAARN Cc1ccc(CNC(=O)c2cccc(-c3cnc(Oc4ccccc4)nc3)c2)o1 ZINC000064669571 570514735 /nfs/dbraw/zinc/51/47/35/570514735.db2.gz SYNAZLXVZTWICP-UHFFFAOYSA-N 0 0 385.423 4.767 50 0 GJAARN CCCC(=O)Nc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1 ZINC000006646764 570515383 /nfs/dbraw/zinc/51/53/83/570515383.db2.gz 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COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)NC2CCCC2)cc1 ZINC000009224528 570552845 /nfs/dbraw/zinc/55/28/45/570552845.db2.gz QISGCTUNUNSESA-HSZRJFAPSA-N 0 0 389.499 4.776 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)no2)cc1 ZINC000035476319 570553029 /nfs/dbraw/zinc/55/30/29/570553029.db2.gz PQRZUDHAISANLO-LJQANCHMSA-N 0 0 382.847 4.981 50 0 GJAARN Cc1cc([C@H]2CCCN2C(=O)c2c(C)onc2-c2c(F)cccc2Cl)no1 ZINC000035511192 570553987 /nfs/dbraw/zinc/55/39/87/570553987.db2.gz UKVIDCTWQTWCJF-OAHLLOKOSA-N 0 0 389.814 4.716 50 0 GJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)cc2)no1 ZINC000035511360 570554133 /nfs/dbraw/zinc/55/41/33/570554133.db2.gz FBBFRSBLVSTTHD-MRXNPFEDSA-N 0 0 378.270 4.759 50 0 GJAARN COc1cc(C(=O)Nc2ccccc2N2CCCCCC2)ccc1OC(F)F ZINC000022829149 570555462 /nfs/dbraw/zinc/55/54/62/570555462.db2.gz RXRBHDUVMKXMJW-UHFFFAOYSA-N 0 0 390.430 4.929 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000009341516 570555533 /nfs/dbraw/zinc/55/55/33/570555533.db2.gz AFHJKYWSNHBJDC-INIZCTEOSA-N 0 0 382.479 4.830 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c(O)c1C ZINC000005343881 570556239 /nfs/dbraw/zinc/55/62/39/570556239.db2.gz FZFDWCUNKYNUMW-UHFFFAOYSA-N 0 0 375.350 4.670 50 0 GJAARN CCOC(=O)c1cccc(Nc2c(-c3ccccc3O)nc3ccc(C)cn32)c1 ZINC000035616354 570556299 /nfs/dbraw/zinc/55/62/99/570556299.db2.gz XFJHEZGOHTUGME-UHFFFAOYSA-N 0 0 387.439 4.936 50 0 GJAARN COc1ccc(OC)c(Nc2c(-c3ccccc3O)nc3cc(C)ccn32)c1 ZINC000035616403 570556303 /nfs/dbraw/zinc/55/63/03/570556303.db2.gz HXWWMXZREDDTGP-UHFFFAOYSA-N 0 0 375.428 4.776 50 0 GJAARN COc1cc([C@@H]2O[C@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000035741616 570557690 /nfs/dbraw/zinc/55/76/90/570557690.db2.gz LOKJUZWMHIWIBX-JKXTWKSPSA-N 0 0 398.455 4.587 50 0 GJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2)N1CCc1ccccc1 ZINC000005342305 570557652 /nfs/dbraw/zinc/55/76/52/570557652.db2.gz XBEZHDSLNNPXJR-XMMPIXPASA-N 0 0 395.462 4.570 50 0 GJAARN CC(C)(C)CC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1 ZINC000006734651 570558945 /nfs/dbraw/zinc/55/89/45/570558945.db2.gz AAFCRJPBFBRTBH-HXUWFJFHSA-N 0 0 386.492 4.979 50 0 GJAARN CCc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3F)s2)cc1 ZINC000006734365 570558965 /nfs/dbraw/zinc/55/89/65/570558965.db2.gz FEMDEIAHYROPKD-UHFFFAOYSA-N 0 0 391.468 4.923 50 0 GJAARN CCCNC(=O)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)CC(C)C ZINC000035972936 570559334 /nfs/dbraw/zinc/55/93/34/570559334.db2.gz OVBXXUPPOBORAT-UHFFFAOYSA-N 0 0 399.583 4.639 50 0 GJAARN COc1ccc(C(=O)N(Cc2cc(-c3ccccc3)on2)Cc2ccco2)cc1 ZINC000036004528 570559500 /nfs/dbraw/zinc/55/95/00/570559500.db2.gz GESUPCOAASFGRY-UHFFFAOYSA-N 0 0 388.423 4.786 50 0 GJAARN CCCn1c(CCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2cccnc21 ZINC000006737584 570559635 /nfs/dbraw/zinc/55/96/35/570559635.db2.gz IAEAAXXECCFRIJ-UHFFFAOYSA-N 0 0 377.275 4.719 50 0 GJAARN O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000005353843 570559868 /nfs/dbraw/zinc/55/98/68/570559868.db2.gz RJFZVQHSEZAROV-KPKJPENVSA-N 0 0 389.842 4.873 50 0 GJAARN CCCCNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc21 ZINC000006738906 570561085 /nfs/dbraw/zinc/56/10/85/570561085.db2.gz PUUSSZSNZATTHS-UHFFFAOYSA-N 0 0 396.292 4.919 50 0 GJAARN O=c1cc(CSCc2ccc(Cl)cc2)nc2sc3c(n21)CCCC3 ZINC000006738853 570561196 /nfs/dbraw/zinc/56/11/96/570561196.db2.gz UTNAHSUZZPTTSM-UHFFFAOYSA-N 0 0 376.934 4.722 50 0 GJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000064837719 570561835 /nfs/dbraw/zinc/56/18/35/570561835.db2.gz GXMMRUXCIKFBNR-UHFFFAOYSA-N 0 0 376.865 4.721 50 0 GJAARN COc1ccccc1CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1F ZINC000036247560 570561843 /nfs/dbraw/zinc/56/18/43/570561843.db2.gz MXNYQBALGHRPKA-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN CCCC[C@H](CC)C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000006740745 570562770 /nfs/dbraw/zinc/56/27/70/570562770.db2.gz INCQQJAUMGQVMV-ZDUSSCGKSA-N 0 0 377.535 4.668 50 0 GJAARN CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006740758 570563089 /nfs/dbraw/zinc/56/30/89/570563089.db2.gz CRAVSVPBQWDUNX-IBGZPJMESA-N 0 0 390.483 4.603 50 0 GJAARN Cc1cccc(NC(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 ZINC000022906864 570563569 /nfs/dbraw/zinc/56/35/69/570563569.db2.gz NYCGWSPCGOUWDX-OAQYLSRUSA-N 0 0 375.472 4.509 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907107 570563606 /nfs/dbraw/zinc/56/36/06/570563606.db2.gz UMYXZQAESJPIEA-IBGZPJMESA-N 0 0 398.865 4.602 50 0 GJAARN COC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000036379693 570563945 /nfs/dbraw/zinc/56/39/45/570563945.db2.gz PAJSJBLTHMYPMY-UHFFFAOYSA-N 0 0 375.428 4.729 50 0 GJAARN COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000006745458 570564225 /nfs/dbraw/zinc/56/42/25/570564225.db2.gz JMOYMCHLASMOAE-NRFANRHFSA-N 0 0 389.451 4.627 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000006747603 570566014 /nfs/dbraw/zinc/56/60/14/570566014.db2.gz CTCDEAONXMOACQ-UHFFFAOYSA-N 0 0 387.838 4.988 50 0 GJAARN COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)cc1 ZINC000006749291 570567638 /nfs/dbraw/zinc/56/76/38/570567638.db2.gz QOBBLDXCWZLWQB-UHFFFAOYSA-N 0 0 375.472 4.846 50 0 GJAARN CC(C)Oc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000010280701 570567664 /nfs/dbraw/zinc/56/76/64/570567664.db2.gz OYQLSCOSSIIFLA-UHFFFAOYSA-N 0 0 380.488 4.789 50 0 GJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3ccccc3F)CC1)N2 ZINC000064858567 570567849 /nfs/dbraw/zinc/56/78/49/570567849.db2.gz HLOORZLIUIQEHR-UHFFFAOYSA-N 0 0 389.474 4.790 50 0 biogenic GJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)cc1 ZINC000006751514 570569705 /nfs/dbraw/zinc/56/97/05/570569705.db2.gz BNYHQZMZSMZQDL-CRYYWNKWSA-N 0 0 381.497 4.528 50 0 GJAARN O=C([O-])c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000010475230 570571230 /nfs/dbraw/zinc/57/12/30/570571230.db2.gz CIRZNMCQTDRGOU-UHFFFAOYSA-N 0 0 381.859 4.907 50 0 GJAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(=O)c2ccccc2o1 ZINC000032981822 570571244 /nfs/dbraw/zinc/57/12/44/570571244.db2.gz DHBKEQWXLIZNFR-UHFFFAOYSA-N 0 0 388.857 4.884 50 0 GJAARN Clc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1Cl ZINC000004327282 570572540 /nfs/dbraw/zinc/57/25/40/570572540.db2.gz YXEWZUVMAXPRRO-UHFFFAOYSA-N 0 0 388.283 4.785 50 0 GJAARN COc1ccccc1-c1nc(C(=O)N2c3ccccc3SC[C@@H]2C)cs1 ZINC000225457740 570576303 /nfs/dbraw/zinc/57/63/03/570576303.db2.gz JFFBUNSIPAXKFX-ZDUSSCGKSA-N 0 0 382.510 4.960 50 0 GJAARN CCCc1nn(-c2ccccc2Cl)c(C(C)C)c1C(=O)NC[C@@H]1CCCO1 ZINC000006765219 570576360 /nfs/dbraw/zinc/57/63/60/570576360.db2.gz QVNUSBPEZBTHKT-HNNXBMFYSA-N 0 0 389.927 4.510 50 0 GJAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000064887911 570577560 /nfs/dbraw/zinc/57/75/60/570577560.db2.gz UGEQKOWCZRLWGG-UHFFFAOYSA-N 0 0 393.849 4.926 50 0 GJAARN CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000006767179 570577705 /nfs/dbraw/zinc/57/77/05/570577705.db2.gz GCELKKOZGVQARI-HXUWFJFHSA-N 0 0 395.890 4.770 50 0 GJAARN O=C(CCc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000011664900 570578339 /nfs/dbraw/zinc/57/83/39/570578339.db2.gz YYKGTFUWCUIEMV-RUZDIDTESA-N 0 0 399.469 4.809 50 0 GJAARN Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccccc3)oc12 ZINC000006768008 570578840 /nfs/dbraw/zinc/57/88/40/570578840.db2.gz QUPLCKYXUCXCOT-UHFFFAOYSA-N 0 0 399.402 4.749 50 0 GJAARN COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000225496168 570580167 /nfs/dbraw/zinc/58/01/67/570580167.db2.gz QVYADPRRXRJNHA-MRXNPFEDSA-N 0 0 377.444 4.573 50 0 GJAARN Cc1cc([C@@H](Nc2ccccn2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038546993 570580863 /nfs/dbraw/zinc/58/08/63/570580863.db2.gz PDPCMSRUZREDBM-IBGZPJMESA-N 0 0 390.468 4.893 50 0 GJAARN Cc1cccc(NC(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)c1 ZINC000005396495 570581016 /nfs/dbraw/zinc/58/10/16/570581016.db2.gz HBLFAEBAOOOOIO-AWEZNQCLSA-N 0 0 398.557 4.693 50 0 GJAARN Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)s1 ZINC000005396893 570581452 /nfs/dbraw/zinc/58/14/52/570581452.db2.gz KFSCQGUWQSXGTN-UHFFFAOYSA-N 0 0 389.571 4.919 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3CCC(C)CC3)c12 ZINC000006772796 570583190 /nfs/dbraw/zinc/58/31/90/570583190.db2.gz UJHIBPXYXURGRB-UHFFFAOYSA-N 0 0 382.895 4.563 50 0 GJAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000036248568 570583232 /nfs/dbraw/zinc/58/32/32/570583232.db2.gz BFMSKMPCIDWUNY-QGZVFWFLSA-N 0 0 397.496 4.660 50 0 GJAARN Cc1ccc(-c2nc3ccccc3c(NCCNC(=O)CC(C)(C)C)n2)cc1 ZINC000006774470 570583631 /nfs/dbraw/zinc/58/36/31/570583631.db2.gz WPKOOKVFXHYOHW-UHFFFAOYSA-N 0 0 376.504 4.570 50 0 GJAARN Cc1ccccc1NC(=O)NCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000006773282 570583652 /nfs/dbraw/zinc/58/36/52/570583652.db2.gz BOHDAMNUEIYDDO-UHFFFAOYSA-N 0 0 397.482 4.839 50 0 GJAARN CCC(=O)Nc1cccc(-n2nc(OCC(C)C)nc2-c2ccc(C)cc2)c1 ZINC000006776033 570584781 /nfs/dbraw/zinc/58/47/81/570584781.db2.gz RKCQYANVSSXXJV-UHFFFAOYSA-N 0 0 378.476 4.626 50 0 GJAARN CCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000006776042 570584964 /nfs/dbraw/zinc/58/49/64/570584964.db2.gz XHOYDYRYWXHKKQ-UHFFFAOYSA-N 0 0 396.466 4.847 50 0 GJAARN CC(C)COc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000006776296 570585285 /nfs/dbraw/zinc/58/52/85/570585285.db2.gz HOMNKNIAGXDJMH-UHFFFAOYSA-N 0 0 396.466 4.703 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005417407 570588841 /nfs/dbraw/zinc/58/88/41/570588841.db2.gz PXONJCZFLGDXML-UHFFFAOYSA-N 0 0 390.531 4.826 50 0 GJAARN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000006781510 570589166 /nfs/dbraw/zinc/58/91/66/570589166.db2.gz VUDCRIRVGLIINY-UHFFFAOYSA-N 0 0 397.881 4.745 50 0 GJAARN O=C(CCCc1ccc(Cl)cc1)N1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000011873175 570589177 /nfs/dbraw/zinc/58/91/77/570589177.db2.gz UENRYBYJAXXPBV-XMMPIXPASA-N 0 0 399.962 4.897 50 0 GJAARN CC(=O)c1cnn(-c2cc(Oc3ccccc3F)nc(-c3ccccc3)n2)c1C ZINC000005421304 570589804 /nfs/dbraw/zinc/58/98/04/570589804.db2.gz WWIVGIBKHZYODM-UHFFFAOYSA-N 0 0 388.402 4.772 50 0 GJAARN CCc1ccccc1NC(=O)c1cc(-c2ccncc2)n(-c2ccc(F)cc2)n1 ZINC000064919544 570590456 /nfs/dbraw/zinc/59/04/56/570590456.db2.gz UTDWNMAHHDGSRT-UHFFFAOYSA-N 0 0 386.430 4.888 50 0 GJAARN CCc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000064919331 570590557 /nfs/dbraw/zinc/59/05/57/570590557.db2.gz PPZPGDWTWDAKOJ-UHFFFAOYSA-N 0 0 386.430 4.888 50 0 GJAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc(C)nc2sc(C)c(C)c21 ZINC000005428971 570591682 /nfs/dbraw/zinc/59/16/82/570591682.db2.gz LUNZCWDQUYDJAF-LBPRGKRZSA-N 0 0 387.530 4.744 50 0 GJAARN O=C(CSCCOc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000006787449 570592966 /nfs/dbraw/zinc/59/29/66/570592966.db2.gz PYZGCHAEWNPAMJ-IBGZPJMESA-N 0 0 375.921 4.646 50 0 GJAARN Cc1cc(NC(=O)COCc2nc3ccccc3s2)ccc1Br ZINC000006789216 570594714 /nfs/dbraw/zinc/59/47/14/570594714.db2.gz JTKVQMKDDXBGMC-UHFFFAOYSA-N 0 0 391.290 4.523 50 0 GJAARN Cc1ccc2c(C[NH2+]C3CCCC3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000006795756 570597167 /nfs/dbraw/zinc/59/71/67/570597167.db2.gz SZQHXWOYPQOJRZ-UHFFFAOYSA-N 0 0 380.463 4.868 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)cc1Cl ZINC000003249461 570597328 /nfs/dbraw/zinc/59/73/28/570597328.db2.gz VFEXDMOAHHWMSV-UHFFFAOYSA-N 0 0 384.842 4.716 50 0 GJAARN Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccsc2)cc1 ZINC000005451948 570597375 /nfs/dbraw/zinc/59/73/75/570597375.db2.gz PCRHHFTVOMUEIN-HSZRJFAPSA-N 0 0 390.508 4.944 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000012000599 570597775 /nfs/dbraw/zinc/59/77/75/570597775.db2.gz GQENRURTKVDFCI-RCZVLFRGSA-N 0 0 392.543 4.602 50 0 GJAARN COc1ccc([C@H]2C=C(c3ccc4ccccc4c3)N=C3SCC(=O)N32)cc1 ZINC000006793772 570598078 /nfs/dbraw/zinc/59/80/78/570598078.db2.gz WWUYUNUPGMEILI-OAQYLSRUSA-N 0 0 386.476 4.876 50 0 GJAARN COc1ccc(OC)c(CNC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1 ZINC000006795195 570598504 /nfs/dbraw/zinc/59/85/04/570598504.db2.gz NTPNNNVHKRHVAL-UHFFFAOYSA-N 0 0 392.480 4.705 50 0 GJAARN Cc1ccc2c(C[NH2+]CCc3ccco3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006795473 570598543 /nfs/dbraw/zinc/59/85/43/570598543.db2.gz KPHAICGVGDMCIG-UHFFFAOYSA-N 0 0 388.467 4.622 50 0 GJAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+]C1CCCC1 ZINC000006794580 570598637 /nfs/dbraw/zinc/59/86/37/570598637.db2.gz KIOQWGAOFGGEDC-UHFFFAOYSA-N 0 0 392.499 4.737 50 0 GJAARN CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012029766 570599549 /nfs/dbraw/zinc/59/95/49/570599549.db2.gz WKBZHHDPMVUYAP-IBGZPJMESA-N 0 0 389.499 4.668 50 0 GJAARN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2Cc2ccco2)cc1 ZINC000012029277 570599564 /nfs/dbraw/zinc/59/95/64/570599564.db2.gz MPKPDTJMTWRHFJ-QFIPXVFZSA-N 0 0 376.456 4.558 50 0 GJAARN COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003263835 570600149 /nfs/dbraw/zinc/60/01/49/570600149.db2.gz YPUMLBZTDHDYAT-SBKJXLNCSA-N 0 0 394.254 4.586 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000012057317 570603030 /nfs/dbraw/zinc/60/30/30/570603030.db2.gz QZODCCFFUVFGNE-CQSZACIVSA-N 0 0 385.489 4.576 50 0 GJAARN CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1cc(C)oc1C ZINC000005468418 570603257 /nfs/dbraw/zinc/60/32/57/570603257.db2.gz HFORHSDVNFVRES-UHFFFAOYSA-N 0 0 376.405 4.784 50 0 GJAARN O=C([C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1)N1CCCCC1 ZINC000005472506 570604916 /nfs/dbraw/zinc/60/49/16/570604916.db2.gz HZHAXVPSKDLDOL-SFHVURJKSA-N 0 0 379.485 4.583 50 0 GJAARN Cc1nnc(SCc2nc(-c3cccs3)no2)n1-c1ccc(Cl)cc1 ZINC000006804370 570607865 /nfs/dbraw/zinc/60/78/65/570607865.db2.gz ONYHXEXFQZHHMZ-UHFFFAOYSA-N 0 0 389.893 4.633 50 0 GJAARN CNC(=O)c1oc2ccc3c(c2c1C)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000006808038 570609805 /nfs/dbraw/zinc/60/98/05/570609805.db2.gz HTPXQEPHHJCGBW-OAQYLSRUSA-N 0 0 383.831 4.635 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808423 570610212 /nfs/dbraw/zinc/61/02/12/570610212.db2.gz AYWWYIJYKUNOFZ-UHFFFAOYSA-N 0 0 389.885 4.608 50 0 GJAARN Cc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1Cl ZINC000005485643 570612884 /nfs/dbraw/zinc/61/28/84/570612884.db2.gz CZCKWGXKFFMFMB-UHFFFAOYSA-N 0 0 381.859 4.908 50 0 GJAARN COc1cccc(-c2cc(OC(=O)c3ccc(F)cc3)cc3sc(=O)oc32)c1 ZINC000006809721 570613579 /nfs/dbraw/zinc/61/35/79/570613579.db2.gz SXAYLIFZTULHQK-UHFFFAOYSA-N 0 0 396.395 4.888 50 0 GJAARN CCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cc(C)ccc3nc21 ZINC000005499392 570614685 /nfs/dbraw/zinc/61/46/85/570614685.db2.gz VOPUGBRGEJAWAV-UHFFFAOYSA-N 0 0 388.471 4.954 50 0 GJAARN COc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)c(OC)c1OC ZINC000032999658 570616893 /nfs/dbraw/zinc/61/68/93/570616893.db2.gz DDFDJXCPXCCTJZ-UHFFFAOYSA-N 0 0 397.496 4.713 50 0 GJAARN Cc1nn(S(=O)(=O)c2ccc(C)cc2)cc1Sc1cccc(Cl)c1 ZINC000602993590 570617962 /nfs/dbraw/zinc/61/79/62/570617962.db2.gz BIMFVQWTKFSXRS-UHFFFAOYSA-N 0 0 378.906 4.542 50 0 GJAARN CSC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)N=C1c1ccc(Cl)cc1 ZINC000006817191 570618555 /nfs/dbraw/zinc/61/85/55/570618555.db2.gz 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ZINC000005545839 570630865 /nfs/dbraw/zinc/63/08/65/570630865.db2.gz BBQYXSTUSXOGNA-UHFFFAOYSA-N 0 0 383.495 4.674 50 0 aggregator GJAARN Cc1oc(-c2ccccc2F)nc1C(=O)Nc1c(F)cccc1N1CCCC1 ZINC000119386462 570631218 /nfs/dbraw/zinc/63/12/18/570631218.db2.gz XUVUDZHCSVQEBT-UHFFFAOYSA-N 0 0 383.398 4.781 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@H](c1cccs1)CC2=O ZINC000005556491 570633416 /nfs/dbraw/zinc/63/34/16/570633416.db2.gz XTBIMNJHRLMFEZ-NSHDSACASA-N 0 0 398.875 4.748 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccccc2)cc1 ZINC000036352153 570633521 /nfs/dbraw/zinc/63/35/21/570633521.db2.gz KMZABDNLIVBLEJ-QPPBQGQZSA-N 0 0 386.451 4.946 50 0 GJAARN CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1 ZINC000036354507 570635474 /nfs/dbraw/zinc/63/54/74/570635474.db2.gz JKSUJRQWIGKBCK-UHFFFAOYSA-N 0 0 384.505 4.584 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1nnc(SCc2ccccc2)s1 ZINC000006833844 570637177 /nfs/dbraw/zinc/63/71/77/570637177.db2.gz VZEUEQFLSQVGFI-UHFFFAOYSA-N 0 0 391.905 4.501 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/nfs/dbraw/zinc/64/58/29/570645829.db2.gz VQNVURFNTWEPOV-UHFFFAOYSA-N 0 0 385.448 4.819 50 0 GJAARN O=C(NC1CCCCC1)c1nc2c3ccccc3oc2c(N2CCCCCC2)n1 ZINC000065025086 570650370 /nfs/dbraw/zinc/65/03/70/570650370.db2.gz PXMIOFWRSZAIRK-UHFFFAOYSA-N 0 0 392.503 4.819 50 0 GJAARN C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1cccc(F)c1 ZINC000065031572 570652474 /nfs/dbraw/zinc/65/24/74/570652474.db2.gz GQNNCWXYTSGLQL-HNNXBMFYSA-N 0 0 387.414 4.842 50 0 GJAARN C[C@]1(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1(Cl)Cl ZINC000012402160 570652765 /nfs/dbraw/zinc/65/27/65/570652765.db2.gz RLCQAUYKWKYDMI-QGZVFWFLSA-N 0 0 380.227 4.730 50 0 GJAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000004602267 570656819 /nfs/dbraw/zinc/65/68/19/570656819.db2.gz HHLWYPFREURVHQ-SCLBCKFNSA-N 0 0 397.475 4.550 50 0 GJAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 ZINC000012416177 570656837 /nfs/dbraw/zinc/65/68/37/570656837.db2.gz YKCCLIHUZFWERQ-CQSZACIVSA-N 0 0 387.361 4.584 50 0 GJAARN 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CCC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006875060 570664139 /nfs/dbraw/zinc/66/41/39/570664139.db2.gz KPHOEPFLRHBVGD-SFHVURJKSA-N 0 0 391.298 4.925 50 0 GJAARN Cc1ccc(C)c(-c2cn3c(C(=O)N[C@@H](C)CCCC(C)(C)O)csc3n2)c1 ZINC000012440630 570664668 /nfs/dbraw/zinc/66/46/68/570664668.db2.gz YSTOTSWXEWBSFX-INIZCTEOSA-N 0 0 399.560 4.739 50 0 GJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000065059064 570668374 /nfs/dbraw/zinc/66/83/74/570668374.db2.gz YPXDJPZRQLCAQN-XMMPIXPASA-N 0 0 393.531 4.562 50 0 GJAARN Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccc(-c3nnco3)cc2)c1 ZINC000006879798 570670483 /nfs/dbraw/zinc/67/04/83/570670483.db2.gz AYXRWPSRDLYBPL-UHFFFAOYSA-N 0 0 399.450 4.657 50 0 GJAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)c(CC)nc3ccccc32)cc1 ZINC000005781978 570670857 /nfs/dbraw/zinc/67/08/57/570670857.db2.gz FNDLJDODRYPISE-INIZCTEOSA-N 0 0 390.483 4.852 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc2ccccc2n1 ZINC000005627312 570675579 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570706812 /nfs/dbraw/zinc/70/68/12/570706812.db2.gz AIMFFLNNZNMRQM-UHFFFAOYSA-N 0 0 389.933 4.954 50 0 GJAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3Br)sc2n1 ZINC000000888459 570706894 /nfs/dbraw/zinc/70/68/94/570706894.db2.gz BVTZDQPWBFQIJB-UHFFFAOYSA-N 0 0 376.279 4.510 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)[C@@H](OC[C@H]3CCCO3)C(C)C)n2)cc1C ZINC000058014517 570707227 /nfs/dbraw/zinc/70/72/27/570707227.db2.gz AWHSEVQBKSHSTG-MJGOQNOKSA-N 0 0 388.533 4.586 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)cc1 ZINC000065136171 570707230 /nfs/dbraw/zinc/70/72/30/570707230.db2.gz MRHXNWYQFAJHSN-VQTJNVASSA-N 0 0 393.531 4.897 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000000633484 570708671 /nfs/dbraw/zinc/70/86/71/570708671.db2.gz FCYBKHBTGJLZCE-UHFFFAOYSA-N 0 0 389.274 4.834 50 0 GJAARN O=C(Nc1ccc(I)cc1)c1cccc(C(F)(F)F)c1 ZINC000000632965 570708798 /nfs/dbraw/zinc/70/87/98/570708798.db2.gz XWJZBDCFMQBJRG-UHFFFAOYSA-N 0 0 391.130 4.562 50 0 GJAARN COc1ccc(Nc2nccc([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)cc1 ZINC000065147923 570710014 /nfs/dbraw/zinc/71/00/14/570710014.db2.gz CJWSUXYXHGMARE-SFHVURJKSA-N 0 0 394.519 4.515 50 0 GJAARN O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2ccnc(Nc3ccccc3)n2)C1 ZINC000065147862 570710030 /nfs/dbraw/zinc/71/00/30/570710030.db2.gz LXBHYVMWRMIFNA-OAHLLOKOSA-N 0 0 394.425 4.518 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccc(F)cc4)n3)C2)cc1 ZINC000065148332 570710401 /nfs/dbraw/zinc/71/04/01/570710401.db2.gz XEZWICQXJJMMNM-GOSISDBHSA-N 0 0 390.462 4.688 50 0 GJAARN O=C(C1CCCCC1)N1CCC[C@H](c2ccnc(Nc3ccc(F)cc3)n2)C1 ZINC000065148238 570710497 /nfs/dbraw/zinc/71/04/97/570710497.db2.gz HGPXHSJVSBKQJL-KRWDZBQOSA-N 0 0 382.483 4.646 50 0 GJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000006374668 570711648 /nfs/dbraw/zinc/71/16/48/570711648.db2.gz XTFLPYMYSDJHRH-LLVKDONJSA-N 0 0 392.839 4.977 50 0 GJAARN O=c1c2ccccc2nnn1CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000006939962 570713270 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CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1sccc1-c1ccccc1 ZINC000017965773 570721506 /nfs/dbraw/zinc/72/15/06/570721506.db2.gz SFHXMIWJHOEVLZ-UHFFFAOYSA-N 0 0 384.888 4.779 50 0 GJAARN CCN(CC)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)c(C)c1 ZINC000002852876 570721900 /nfs/dbraw/zinc/72/19/00/570721900.db2.gz GPNPBQMOKJVUKX-UHFFFAOYSA-N 0 0 381.501 4.714 50 0 GJAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 ZINC000248248392 570722346 /nfs/dbraw/zinc/72/23/46/570722346.db2.gz NRHSLASWKBQKOJ-IRLDBZIGSA-N 0 0 391.858 4.986 50 0 GJAARN COc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000004384088 570725182 /nfs/dbraw/zinc/72/51/82/570725182.db2.gz BDCPUMPRNUOCAU-UHFFFAOYSA-N 0 0 379.460 4.614 50 0 GJAARN CC(C)c1nc(CCNC(=O)c2cc(Br)ccc2Cl)cs1 ZINC000058309647 570725971 /nfs/dbraw/zinc/72/59/71/570725971.db2.gz RQKGUAODAWLQHR-UHFFFAOYSA-N 0 0 387.730 4.655 50 0 GJAARN C[C@@H]1CCCN(C(=O)CSc2ncnc3scc(-c4ccccc4)c32)C1 ZINC000000933091 570726846 /nfs/dbraw/zinc/72/68/46/570726846.db2.gz 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/nfs/dbraw/zinc/73/50/72/570735072.db2.gz DSWMQFYJXSWLNB-UHFFFAOYSA-N 0 0 390.174 4.879 50 0 GJAARN COC(=O)c1cc2ccccc2cc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000012983070 570736650 /nfs/dbraw/zinc/73/66/50/570736650.db2.gz YPWWYZOVORQICA-UHFFFAOYSA-N 0 0 394.814 4.909 50 0 GJAARN CCOc1cc2c(cc1NC(=O)Cc1c(Cl)cccc1Cl)O[C@@H](C)C2 ZINC000012992751 570738528 /nfs/dbraw/zinc/73/85/28/570738528.db2.gz VGJHQJLQYZPIPC-NSHDSACASA-N 0 0 380.271 4.897 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000007006040 570738604 /nfs/dbraw/zinc/73/86/04/570738604.db2.gz ZKLBIQUKBLOZBY-UHFFFAOYSA-N 0 0 380.810 4.708 50 0 GJAARN CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(Cl)cc32)cc1 ZINC000000954341 570740114 /nfs/dbraw/zinc/74/01/14/570740114.db2.gz DMNIXFVOOPRRPA-UHFFFAOYSA-N 0 0 398.846 4.985 50 0 GJAARN Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000000976589 570741682 /nfs/dbraw/zinc/74/16/82/570741682.db2.gz VGLOCQDKEQVJSD-UHFFFAOYSA-N 0 0 382.467 4.868 50 0 GJAARN Cc1nnc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1-c1ccc(C)cc1 ZINC000000977007 570742096 /nfs/dbraw/zinc/74/20/96/570742096.db2.gz XBSDQMHCVZBHTP-INIZCTEOSA-N 0 0 380.517 4.620 50 0 GJAARN CCn1cc(-c2nc(CC(=O)Nc3ccccc3C)cs2)c2cccnc21 ZINC000065240970 570744948 /nfs/dbraw/zinc/74/49/48/570744948.db2.gz PUOKRJVGFKPHMD-UHFFFAOYSA-N 0 0 376.485 4.669 50 0 GJAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(Br)c1OC ZINC000013124923 570747396 /nfs/dbraw/zinc/74/73/96/570747396.db2.gz MFVDRHZMYDJKDF-SOFGYWHQSA-N 0 0 386.245 4.891 50 0 GJAARN O=C(c1ccc(Cl)s1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000060389144 570748667 /nfs/dbraw/zinc/74/86/67/570748667.db2.gz DVUMRHVOTBEILX-UHFFFAOYSA-N 0 0 394.283 4.910 50 0 GJAARN CCc1ccc(NC(=O)Cn2cnc(-c3nc(-c4cccs4)cs3)c2)cc1 ZINC000065250501 570749235 /nfs/dbraw/zinc/74/92/35/570749235.db2.gz NZXQWQONHFNCLI-UHFFFAOYSA-N 0 0 394.525 4.936 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cccnc2)cc1C ZINC000025378627 570749365 /nfs/dbraw/zinc/74/93/65/570749365.db2.gz 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570753494 /nfs/dbraw/zinc/75/34/94/570753494.db2.gz BSFFQZGKXRGJCX-KRWDZBQOSA-N 0 0 396.712 4.539 50 0 GJAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1OC ZINC000013427581 570754760 /nfs/dbraw/zinc/75/47/60/570754760.db2.gz MUJFEBDHDMUXDH-VGOFRKELSA-N 0 0 376.412 4.539 50 0 GJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C)c3ccc(C)cc3C)c12 ZINC000036617463 570755638 /nfs/dbraw/zinc/75/56/38/570755638.db2.gz WFGFKXSVQSEENB-CQSZACIVSA-N 0 0 375.428 4.899 50 0 GJAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000007035912 570756868 /nfs/dbraw/zinc/75/68/68/570756868.db2.gz NEXGFSZHHKUKNV-UHFFFAOYSA-N 0 0 394.810 4.561 50 0 GJAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(Br)c(C)c2)on1 ZINC000064985177 570757802 /nfs/dbraw/zinc/75/78/02/570757802.db2.gz LNVDXPILENPZCA-OAHLLOKOSA-N 0 0 378.270 4.677 50 0 GJAARN CCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1C ZINC000022993846 570758152 /nfs/dbraw/zinc/75/81/52/570758152.db2.gz RNOAKJLABWXZLT-UHFFFAOYSA-N 0 0 378.472 4.774 50 0 GJAARN CCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ccc2ccccc2n1 ZINC000065372113 570762160 /nfs/dbraw/zinc/76/21/60/570762160.db2.gz DKGOUGGGMYDTOW-UHFFFAOYSA-N 0 0 394.482 4.619 50 0 GJAARN Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccnc2)cc1C ZINC000013618811 570763319 /nfs/dbraw/zinc/76/33/19/570763319.db2.gz NQTBGBKIRUTIIL-UHFFFAOYSA-N 0 0 397.478 4.695 50 0 GJAARN Cc1nn2c(ncc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccc(F)cc1 ZINC000021914122 570766649 /nfs/dbraw/zinc/76/66/49/570766649.db2.gz WRNBKXBWIOIAMR-UHFFFAOYSA-N 0 0 378.382 4.544 50 0 GJAARN Cc1noc(C)c1CSCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000032721586 570768121 /nfs/dbraw/zinc/76/81/21/570768121.db2.gz RXPVDQMMLXHHEQ-UHFFFAOYSA-N 0 0 378.803 4.836 50 0 GJAARN O=C(c1cccc(-n2cccn2)c1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000206997558 570768505 /nfs/dbraw/zinc/76/85/05/570768505.db2.gz RJCXNBMGRUZTKY-FQEVSTJZSA-N 0 0 397.931 4.846 50 0 GJAARN COc1cc(CN(C)C(=O)c2cc(C)ccc2O)ccc1OCc1ccccc1 ZINC000032722420 570768639 /nfs/dbraw/zinc/76/86/39/570768639.db2.gz 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570777939 /nfs/dbraw/zinc/77/79/39/570777939.db2.gz ASJPIEGUEJWIGD-UHFFFAOYSA-N 0 0 397.478 4.695 50 0 GJAARN O=c1c2oc3nc(-c4ccco4)c4c(c3c2ncn1Cc1ccccc1)CCCC4 ZINC000013720182 570779883 /nfs/dbraw/zinc/77/98/83/570779883.db2.gz KEDWEPQLNUAICC-UHFFFAOYSA-N 0 0 397.434 4.725 50 0 GJAARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257356428 570785755 /nfs/dbraw/zinc/78/57/55/570785755.db2.gz HZUUHCXBSGFHDC-JCBWCNRASA-N 0 0 376.537 4.750 50 0 GJAARN CCCOc1ccc(-c2nc(C(=O)Nc3cccc(OC)c3)cs2)cc1OC ZINC000034712570 570787441 /nfs/dbraw/zinc/78/74/41/570787441.db2.gz FDYKVDANKXIWOI-UHFFFAOYSA-N 0 0 398.484 4.868 50 0 GJAARN O=C(N1CCCCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067714310 570788090 /nfs/dbraw/zinc/78/80/90/570788090.db2.gz YYJVMJLVBHEHMD-UHFFFAOYSA-N 0 0 386.879 4.513 50 0 GJAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)ccc1O ZINC000004450194 570788493 /nfs/dbraw/zinc/78/84/93/570788493.db2.gz VIXBBPDAKJLKSS-OAQYLSRUSA-N 0 0 378.403 4.701 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Cc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)c1 ZINC000005903014 570802574 /nfs/dbraw/zinc/80/25/74/570802574.db2.gz KCFBDKFNOCEFGI-UONOGXRCSA-N 0 0 385.464 4.542 50 0 GJAARN O=C(Nc1ccccc1Oc1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000032768149 570802914 /nfs/dbraw/zinc/80/29/14/570802914.db2.gz ZYCFWBUVFISHCG-UHFFFAOYSA-N 0 0 386.451 4.854 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(C)c(F)c3)C2)s1 ZINC000033078253 570804456 /nfs/dbraw/zinc/80/44/56/570804456.db2.gz NGBLUPXOSYPAAR-CQSZACIVSA-N 0 0 398.507 4.556 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccs3)cc2)cc1 ZINC000005925308 570804573 /nfs/dbraw/zinc/80/45/73/570804573.db2.gz TZASOKXTBGESEY-JLHYYAGUSA-N 0 0 398.509 4.509 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)s1 ZINC000033078442 570804903 /nfs/dbraw/zinc/80/49/03/570804903.db2.gz NSWLKXOYRVPOMQ-INIZCTEOSA-N 0 0 394.544 4.726 50 0 GJAARN CCN1c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C(=O)N2CCCC[C@H]12 ZINC000583648876 570804890 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CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000005976478 570810682 /nfs/dbraw/zinc/81/06/82/570810682.db2.gz VYFFCFOVKNHKMR-UHFFFAOYSA-N 0 0 383.435 4.622 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106193 570811147 /nfs/dbraw/zinc/81/11/47/570811147.db2.gz XUMWQQCAKSFBKA-UHFFFAOYSA-N 0 0 394.906 4.689 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccc(C)c2O)c2ccccc2)c1 ZINC000005986245 570811831 /nfs/dbraw/zinc/81/18/31/570811831.db2.gz IMUIELLYCCXLCZ-JOCHJYFZSA-N 0 0 389.451 4.854 50 0 GJAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)N1CCCCCC1 ZINC000005989612 570812225 /nfs/dbraw/zinc/81/22/25/570812225.db2.gz MQOFTQCSQVJSMF-UHFFFAOYSA-N 0 0 394.496 4.523 50 0 GJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cccc(SC)c1 ZINC000101096149 570812282 /nfs/dbraw/zinc/81/22/82/570812282.db2.gz WBQNEPVQYBMJGZ-UHFFFAOYSA-N 0 0 383.473 4.981 50 0 GJAARN CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nncs1 ZINC000007194557 570813770 /nfs/dbraw/zinc/81/37/70/570813770.db2.gz 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Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000036892718 570824378 /nfs/dbraw/zinc/82/43/78/570824378.db2.gz QPFCOTZSBOBLQO-UHFFFAOYSA-N 0 0 395.768 4.827 50 0 GJAARN Cc1[nH]c(-c2ccc(C)cc2)cc1C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000033139608 570825859 /nfs/dbraw/zinc/82/58/59/570825859.db2.gz GXPRPOQOOBTFRE-UHFFFAOYSA-N 0 0 387.527 4.878 50 0 GJAARN Cc1cc(C)c2c(n1)sc1c2N[C@H](c2cccc(Br)c2)NC1=O ZINC000012522006 570828232 /nfs/dbraw/zinc/82/82/32/570828232.db2.gz XXXOJNJUQZWXMQ-HNNXBMFYSA-N 0 0 388.290 4.530 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2Cn2ncn(-c3ccccc3)c2=S)cc1 ZINC000007317566 570828627 /nfs/dbraw/zinc/82/86/27/570828627.db2.gz WIPGYWGGONTNQN-FQEVSTJZSA-N 0 0 380.517 4.597 50 0 GJAARN CCC(=O)Nc1ccc(-c2nnc(SCc3ccc(F)cc3)n2CC)cc1 ZINC000004682103 570829811 /nfs/dbraw/zinc/82/98/11/570829811.db2.gz WSRJZMAWQVAUTI-UHFFFAOYSA-N 0 0 384.480 4.745 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1OC ZINC000005703373 570830047 /nfs/dbraw/zinc/83/00/47/570830047.db2.gz 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CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000033252378 570860499 /nfs/dbraw/zinc/86/04/99/570860499.db2.gz PCOYGTOJRKFJAE-UHFFFAOYSA-N 0 0 398.422 4.614 50 0 GJAARN COc1ccc([C@H](C)NC(=O)N(Cc2ccco2)Cc2cccs2)cc1F ZINC000032863150 570861248 /nfs/dbraw/zinc/86/12/48/570861248.db2.gz DRWWYRHSOJCSFH-AWEZNQCLSA-N 0 0 388.464 4.962 50 0 GJAARN Cc1cccc2nc(C3CCN(C(=O)[C@@H]4C[C@@H]4c4cccc(F)c4)CC3)oc21 ZINC000170602646 570861377 /nfs/dbraw/zinc/86/13/77/570861377.db2.gz INDROQYSDGIJCZ-RTBURBONSA-N 0 0 378.447 4.785 50 0 GJAARN CCOC(=O)c1c(=O)[nH]c2cc(Cl)ccc2c1NCc1ccccc1Cl ZINC000033256887 570863639 /nfs/dbraw/zinc/86/36/39/570863639.db2.gz DWASOLTZTNYHOY-UHFFFAOYSA-N 0 0 391.254 4.624 50 0 GJAARN CN(Cc1cc(Cl)cc2c1OCOC2)[C@]1(c2ccccc2)CCCCC1=O ZINC000170607266 570864113 /nfs/dbraw/zinc/86/41/13/570864113.db2.gz FHDDTPPVTSUDJU-QFIPXVFZSA-N 0 0 385.891 4.677 50 0 GJAARN COc1ccc(CNC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000003386384 570864391 /nfs/dbraw/zinc/86/43/91/570864391.db2.gz 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/nfs/dbraw/zinc/86/93/01/570869301.db2.gz KLMKCZZGCYSWJJ-UHFFFAOYSA-N 0 0 377.488 4.739 50 0 GJAARN Cn1cccc1CN(Cc1cccs1)C(=O)c1cc(Br)cs1 ZINC000207974034 570869564 /nfs/dbraw/zinc/86/95/64/570869564.db2.gz FRUVMWXTZMZYPM-UHFFFAOYSA-N 0 0 395.347 4.753 50 0 GJAARN C[C@H]1C(=O)N(c2ccc(Oc3ccccc3)cc2)CCN1Cc1ccc(F)cc1 ZINC000037285223 570870127 /nfs/dbraw/zinc/87/01/27/570870127.db2.gz QTWYEHSPISBJGE-SFHVURJKSA-N 0 0 390.458 4.855 50 0 GJAARN Cc1nc(SCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)n(C2CCCC2)c1C ZINC000102883968 570870531 /nfs/dbraw/zinc/87/05/31/570870531.db2.gz YQZIOIGHTXLFNY-GFCCVEGCSA-N 0 0 383.517 4.646 50 0 GJAARN Cc1cc(Br)oc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000044308675 570874795 /nfs/dbraw/zinc/87/47/95/570874795.db2.gz YJHMMQUKCWWHOY-GFCCVEGCSA-N 0 0 391.290 4.938 50 0 GJAARN Cc1ccc(Oc2ccc(-c3noc([C@@H]4[C@H]5C[C@H]6OC(=O)[C@@H]4[C@H]6C5)n3)cc2)cc1 ZINC000103027216 570873980 /nfs/dbraw/zinc/87/39/80/570873980.db2.gz LCVTXKPVIPUEBE-PBOLBBRVSA-N 0 0 388.423 4.502 50 0 GJAARN CCN(CC)Cc1nc2sc(C)c(C)c2c(Nc2ccc3c(c2)OCO3)n1 ZINC000003534079 570874127 /nfs/dbraw/zinc/87/41/27/570874127.db2.gz XBRFIRIBNIVPME-UHFFFAOYSA-N 0 0 384.505 4.622 50 0 GJAARN Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(Br)c3)C2)o1 ZINC000170620063 570877657 /nfs/dbraw/zinc/87/76/57/570877657.db2.gz APXHCAYXLJOPKZ-MRXNPFEDSA-N 0 0 399.244 4.935 50 0 GJAARN COc1cccc2ccn(CCC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c21 ZINC000170622240 570879827 /nfs/dbraw/zinc/87/98/27/570879827.db2.gz GWXNMQMDMNCOSX-UHFFFAOYSA-N 0 0 395.890 4.534 50 0 GJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCCC2)c(C)c1 ZINC000033263710 570880808 /nfs/dbraw/zinc/88/08/08/570880808.db2.gz PGXADGYIPAKPJG-UHFFFAOYSA-N 0 0 391.519 4.918 50 0 GJAARN Cn1c(SCc2cccc3ccccc32)nnc1[C@@H]1COc2ccccc2O1 ZINC000012598747 570885432 /nfs/dbraw/zinc/88/54/32/570885432.db2.gz UZBNMKQHMHMPDN-FQEVSTJZSA-N 0 0 389.480 4.773 50 0 GJAARN COc1cc(CN(C)C(=O)c2ccccc2F)ccc1OCc1ccccc1 ZINC000012598645 570885528 /nfs/dbraw/zinc/88/55/28/570885528.db2.gz 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ZINC000104052497 570894742 /nfs/dbraw/zinc/89/47/42/570894742.db2.gz YEPJBIJMZKQSEJ-GZTJUZNOSA-N 0 0 388.811 4.630 50 0 GJAARN Cc1ccc(N2CCCC2=O)cc1NC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000299779187 570895018 /nfs/dbraw/zinc/89/50/18/570895018.db2.gz SUAKFUXXCDBEMX-NRFANRHFSA-N 0 0 377.488 4.663 50 0 GJAARN Fc1ccc(Cn2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000013330890 570895534 /nfs/dbraw/zinc/89/55/34/570895534.db2.gz PTISJPWEULTYOH-UHFFFAOYSA-N 0 0 378.835 4.672 50 0 GJAARN Cc1nc(-c2cccc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)c2)sc1C ZINC000299789763 570896026 /nfs/dbraw/zinc/89/60/26/570896026.db2.gz AAIMDSVYMFUVNV-IBGZPJMESA-N 0 0 378.497 4.503 50 0 GJAARN O=C(c1cc2cn(C3CCCC3)cc2s1)N1CCN(c2ccccc2)CC1 ZINC000097112228 570897041 /nfs/dbraw/zinc/89/70/41/570897041.db2.gz VRYFJUNPWSKBJJ-UHFFFAOYSA-N 0 0 379.529 4.780 50 0 GJAARN O=C1N=C(Nc2cccc(F)c2)/C(=C/c2c(Cl)nc3sccn23)S1 ZINC000097971117 570900649 /nfs/dbraw/zinc/90/06/49/570900649.db2.gz RDAHQYNTNFWFBJ-XFFZJAGNSA-N 0 0 378.841 4.907 50 0 GJAARN COc1cccc(Nc2nnc(SC[C@@H](O)c3ccc(Cl)cc3)s2)c1 ZINC000032906267 570904648 /nfs/dbraw/zinc/90/46/48/570904648.db2.gz DOSHGRMLRVHJSO-OAHLLOKOSA-N 0 0 393.921 4.769 50 0 GJAARN CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)C12CC3CC(CC(C3)C1)C2 ZINC000004578092 570905619 /nfs/dbraw/zinc/90/56/19/570905619.db2.gz HMCNXFWXSDQLLH-KSVHXXFXSA-N 0 0 397.968 4.622 50 0 GJAARN O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cccc(Cl)c1 ZINC000051315170 570906676 /nfs/dbraw/zinc/90/66/76/570906676.db2.gz WSURBDUWGVEYDE-UHFFFAOYSA-N 0 0 393.624 4.510 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000051315482 570906701 /nfs/dbraw/zinc/90/67/01/570906701.db2.gz GTBGRIIMXKBWSJ-UHFFFAOYSA-N 0 0 375.350 4.747 50 0 GJAARN CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)c1cc(C)n(C2CC2)c1C ZINC000032908154 570908793 /nfs/dbraw/zinc/90/87/93/570908793.db2.gz FEAYTEBPLAXEPD-UHFFFAOYSA-N 0 0 383.517 4.593 50 0 GJAARN C[C@@H](NCc1csc(CCc2ccccc2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097228483 570909160 /nfs/dbraw/zinc/90/91/60/570909160.db2.gz 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ZINC000534647852 570917371 /nfs/dbraw/zinc/91/73/71/570917371.db2.gz IJAFELQVEUUREH-UHFFFAOYSA-N 0 0 387.483 4.777 50 0 GJAARN Cc1c(-c2cccc(C(=O)N3CCC[C@@H](C)CC3)c2)c(C(F)(F)F)nn1C ZINC000534649443 570917804 /nfs/dbraw/zinc/91/78/04/570917804.db2.gz YINRKIKGMSSWPF-CYBMUJFWSA-N 0 0 379.426 4.677 50 0 GJAARN CN(C(=O)CSc1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000007578385 570919159 /nfs/dbraw/zinc/91/91/59/570919159.db2.gz VBVDABBRDLWILD-UHFFFAOYSA-N 0 0 390.921 4.690 50 0 GJAARN Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(OC(F)F)cc3)ccc12 ZINC000016282156 570920649 /nfs/dbraw/zinc/92/06/49/570920649.db2.gz AQGCTIUJPZZIDP-UHFFFAOYSA-N 0 0 376.384 4.512 50 0 GJAARN CC[C@H]1CCc2nc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)sc2C1 ZINC000089948304 570920687 /nfs/dbraw/zinc/92/06/87/570920687.db2.gz WNNUFTFPFISUPQ-LBPRGKRZSA-N 0 0 385.455 4.891 50 0 GJAARN Cc1cc(C)cc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1 ZINC000004585492 570921439 /nfs/dbraw/zinc/92/14/39/570921439.db2.gz YCOIAVJVCULMNZ-UHFFFAOYSA-N 0 0 383.451 4.563 50 0 GJAARN O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H]1CCSc2c(F)cccc21 ZINC000016300687 570922037 /nfs/dbraw/zinc/92/20/37/570922037.db2.gz XVDCZJXOEKCJTC-LJQANCHMSA-N 0 0 381.472 4.956 50 0 GJAARN COc1ccccc1NC(=O)c1sc(=S)n(-c2cc(C)ccc2C)c1N ZINC000017026622 570924786 /nfs/dbraw/zinc/92/47/86/570924786.db2.gz GPHMGEPMMQXPCR-UHFFFAOYSA-N 0 0 385.514 4.728 50 0 GJAARN Cc1ccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1 ZINC000017040967 570925017 /nfs/dbraw/zinc/92/50/17/570925017.db2.gz LWWYGOWJQAWOFX-UHFFFAOYSA-N 0 0 383.904 4.548 50 0 GJAARN Cc1csc(C2(NC(=O)Nc3ccccc3-n3nc(C)cc3C)CCCC2)n1 ZINC000170632067 570925180 /nfs/dbraw/zinc/92/51/80/570925180.db2.gz DAOWREMCZQNSDS-UHFFFAOYSA-N 0 0 395.532 4.845 50 0 GJAARN Cc1cc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)no1 ZINC000004059660 570926775 /nfs/dbraw/zinc/92/67/75/570926775.db2.gz JZGQCIZHWARNQF-UHFFFAOYSA-N 0 0 377.469 4.717 50 0 GJAARN CCc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccc(Br)cc1 ZINC000032915722 570926831 /nfs/dbraw/zinc/92/68/31/570926831.db2.gz XRMCLJLBIJCLKW-UHFFFAOYSA-N 0 0 388.240 4.589 50 0 GJAARN Cc1cc(C)n(-c2ccc(NC(=O)NC3(c4ccccc4F)CC3)cc2F)n1 ZINC000170633812 570927365 /nfs/dbraw/zinc/92/73/65/570927365.db2.gz VRGAMEHDVNDBNO-UHFFFAOYSA-N 0 0 382.414 4.578 50 0 GJAARN O=C1CSC(N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)=N1 ZINC000051330508 570929316 /nfs/dbraw/zinc/92/93/16/570929316.db2.gz WEYCYEKZTKUHIW-UBHYUHGRSA-N 0 0 387.508 4.912 50 0 GJAARN CC(C)(C)[C@@H]1CCc2c(sc3ncn(CCOc4ccccc4)c(=O)c32)C1 ZINC000000935975 570930437 /nfs/dbraw/zinc/93/04/37/570930437.db2.gz DOINIWOWIZYNEP-OAHLLOKOSA-N 0 0 382.529 4.688 50 0 GJAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000001062919 570930870 /nfs/dbraw/zinc/93/08/70/570930870.db2.gz WTDFXPXIQLXCES-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN Fc1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000001079829 570931196 /nfs/dbraw/zinc/93/11/96/570931196.db2.gz GLLSQYLCDWQYDS-UHFFFAOYSA-N 0 0 384.307 4.652 50 0 GJAARN Cc1c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)sc2cccc(F)c12 ZINC000024594846 570932726 /nfs/dbraw/zinc/93/27/26/570932726.db2.gz GXALNQPIBFRWPW-UHFFFAOYSA-N 0 0 384.476 4.676 50 0 GJAARN CN(Cc1ccc(O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000078413753 570933025 /nfs/dbraw/zinc/93/30/25/570933025.db2.gz FSSNYQSLJONODV-UHFFFAOYSA-N 0 0 393.409 4.675 50 0 GJAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccc(C)cc1 ZINC000012640320 570933989 /nfs/dbraw/zinc/93/39/89/570933989.db2.gz ARTDDQSIPZGBQM-QHCPKHFHSA-N 0 0 387.483 4.945 50 0 GJAARN Cc1nnc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)s1 ZINC000032922799 570934043 /nfs/dbraw/zinc/93/40/43/570934043.db2.gz OGYICJIIRHHJTN-UHFFFAOYSA-N 0 0 380.292 4.590 50 0 GJAARN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)c(Cl)c1 ZINC000015411483 570934270 /nfs/dbraw/zinc/93/42/70/570934270.db2.gz FXGXYQAZWZULLF-UHFFFAOYSA-N 0 0 394.254 4.756 50 0 GJAARN CCCCc1noc(CSc2nnc(-c3ccco3)n2-c2ccccc2)n1 ZINC000012648154 570934730 /nfs/dbraw/zinc/93/47/30/570934730.db2.gz VLDXMRLEWDSULE-UHFFFAOYSA-N 0 0 381.461 4.545 50 0 GJAARN CC(C)(C)c1ccc(C(=O)NCCn2c3ncccc3nc2-c2ccccc2)cc1 ZINC000046915977 570937019 /nfs/dbraw/zinc/93/70/19/570937019.db2.gz SCEKGDVVYNUJSH-UHFFFAOYSA-N 0 0 398.510 4.826 50 0 GJAARN CCOc1cc(C(=O)NCc2cc(-c3ccccc3)no2)ccc1OCC(C)C ZINC000032927970 570939988 /nfs/dbraw/zinc/93/99/88/570939988.db2.gz ZXPIALPCKSTHIF-UHFFFAOYSA-N 0 0 394.471 4.705 50 0 GJAARN Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccccc4F)c(C)c3cc12 ZINC000002092107 570940589 /nfs/dbraw/zinc/94/05/89/570940589.db2.gz WGJRLHFGQWIIHP-UHFFFAOYSA-N 0 0 379.387 4.866 50 0 biogenic GJAARN C[C@@H](NC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000032931945 570946510 /nfs/dbraw/zinc/94/65/10/570946510.db2.gz BXJNYTCIYBOTSQ-MLGOLLRUSA-N 0 0 397.828 4.600 50 0 GJAARN Cc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2Br)c(C)c1 ZINC000032931963 570946595 /nfs/dbraw/zinc/94/65/95/570946595.db2.gz YLCKXGRZAKIVFU-UHFFFAOYSA-N 0 0 388.240 4.643 50 0 GJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000012656134 570947262 /nfs/dbraw/zinc/94/72/62/570947262.db2.gz GSCFOBIGTCHCFF-NJAFHUGGSA-N 0 0 387.549 4.578 50 0 GJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccs1 ZINC000002378891 570947404 /nfs/dbraw/zinc/94/74/04/570947404.db2.gz YDFAUKUIKUSGDO-UHFFFAOYSA-N 0 0 386.546 4.683 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000033271842 570947484 /nfs/dbraw/zinc/94/74/84/570947484.db2.gz KJKICOIGSLGXJO-ZDUSSCGKSA-N 0 0 380.498 4.634 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cn3ccccc3n2)cc1 ZINC000012659211 570947782 /nfs/dbraw/zinc/94/77/82/570947782.db2.gz MCNBVIUYYPAGOW-UHFFFAOYSA-N 0 0 398.491 4.634 50 0 GJAARN O=C1NC(=S)SC1=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000002631195 570949306 /nfs/dbraw/zinc/94/93/06/570949306.db2.gz IOQXKEUHRAJUEP-RIYZIHGNSA-N 0 0 376.390 4.855 50 0 GJAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@H](C(C)=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 ZINC000004532897 570949767 /nfs/dbraw/zinc/94/97/67/570949767.db2.gz UKIIXHVIHAJCMP-HUKRRQNXSA-N 0 0 388.548 4.735 50 0 GJAARN Cc1ccc(Oc2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)cc1 ZINC000010629496 570949917 /nfs/dbraw/zinc/94/99/17/570949917.db2.gz VJIKVAHRMJSGJE-UHFFFAOYSA-N 0 0 399.450 4.595 50 0 GJAARN COC[C@@H]1CCN(C(=O)[C@@H]2[C@@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)C1 ZINC000585138644 570951168 /nfs/dbraw/zinc/95/11/68/570951168.db2.gz WLTQEJVLIIBEIM-WFIYQMLVSA-N 0 0 382.331 4.687 50 0 GJAARN Cc1c(C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c2ccccc2n1C ZINC000002118642 570952949 /nfs/dbraw/zinc/95/29/49/570952949.db2.gz PBMMHXFZUTVOJZ-UHFFFAOYSA-N 0 0 395.842 4.817 50 0 biogenic GJAARN Cc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2)c(C)c1 ZINC000033288859 570956238 /nfs/dbraw/zinc/95/62/38/570956238.db2.gz LIAXGJNJYLSAQU-UHFFFAOYSA-N 0 0 381.526 4.975 50 0 GJAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 ZINC000252444237 570957681 /nfs/dbraw/zinc/95/76/81/570957681.db2.gz XNNWXFLRPFDFMK-UZLBHIALSA-N 0 0 391.540 4.801 50 0 GJAARN CCCc1cc(=O)oc2c(C)c(O[C@H](C(=O)OCC)c3ccccc3)ccc12 ZINC000004747400 570958669 /nfs/dbraw/zinc/95/86/69/570958669.db2.gz AHVRCKICGWAYFY-QFIPXVFZSA-N 0 0 380.440 4.737 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccccc3C)c(C)s2)sc1C ZINC000033290105 570960690 /nfs/dbraw/zinc/96/06/90/570960690.db2.gz CPAJWKKITZJNHK-UHFFFAOYSA-N 0 0 392.571 4.584 50 0 GJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)N1CCCCCC1 ZINC000033290128 570960702 /nfs/dbraw/zinc/96/07/02/570960702.db2.gz LFUYYNYMDVWKDC-UHFFFAOYSA-N 0 0 384.592 4.868 50 0 GJAARN CCc1ccc(NS(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)cc1 ZINC000033289955 570960768 /nfs/dbraw/zinc/96/07/68/570960768.db2.gz PIEYKGSTQBTCHQ-UHFFFAOYSA-N 0 0 378.544 4.852 50 0 GJAARN O=C(NCc1ccc(F)cc1Cl)c1sc2ncccc2c1-n1cccc1 ZINC000033297998 570961992 /nfs/dbraw/zinc/96/19/92/570961992.db2.gz PBXURUROQSDIKR-UHFFFAOYSA-N 0 0 385.851 4.810 50 0 GJAARN CCCc1ccc(S(=O)(=O)Nc2ccc3nc(SC)sc3c2)cc1 ZINC000033298801 570962607 /nfs/dbraw/zinc/96/26/07/570962607.db2.gz FGGPIMKJYWCMED-UHFFFAOYSA-N 0 0 378.544 4.772 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2s1 ZINC000033298855 570962918 /nfs/dbraw/zinc/96/29/18/570962918.db2.gz YKVATKVTQXPTTE-UHFFFAOYSA-N 0 0 382.507 4.657 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccccc3CC)cc2s1 ZINC000033298861 570963070 /nfs/dbraw/zinc/96/30/70/570963070.db2.gz ZVXQSDKSWDIYGM-UHFFFAOYSA-N 0 0 378.544 4.772 50 0 GJAARN COc1ccccc1-c1cc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)no1 ZINC000047529236 570963069 /nfs/dbraw/zinc/96/30/69/570963069.db2.gz QBINCHDNKAWISN-UHFFFAOYSA-N 0 0 377.400 4.867 50 0 GJAARN CC(N=Nc1nc2ccccc2c(-c2ccc(Cl)cc2)n1)c1ccnn1C ZINC000252475080 570964520 /nfs/dbraw/zinc/96/45/20/570964520.db2.gz SGPRHDQSGNLMPR-UHFFFAOYSA-N 0 0 376.851 4.520 50 0 GJAARN Cc1c(-c2nsc(Nc3ccc(C)c(C)c3)n2)nnn1-c1cc(F)ccc1F ZINC000033302173 570966615 /nfs/dbraw/zinc/96/66/15/570966615.db2.gz QTWPTSINFOKPSL-UHFFFAOYSA-N 0 0 398.442 4.733 50 0 GJAARN CC(=O)c1cc(C(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)n(C)c1 ZINC000083815636 570966649 /nfs/dbraw/zinc/96/66/49/570966649.db2.gz ODMHYLGBCQXRSV-JOCHJYFZSA-N 0 0 392.524 4.687 50 0 GJAARN CCc1nc(-c2cc(S(=O)(=O)Nc3cc(C)ccc3F)c(C)s2)cs1 ZINC000033308451 570968050 /nfs/dbraw/zinc/96/80/50/570968050.db2.gz NXNQEMYVUAQFCG-UHFFFAOYSA-N 0 0 396.534 4.991 50 0 GJAARN O=C(Nc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1)c1ccoc1 ZINC000033308383 570968076 /nfs/dbraw/zinc/96/80/76/570968076.db2.gz AFLJVJCXANRRKS-UHFFFAOYSA-N 0 0 395.802 4.814 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC(C)C)n1 ZINC000012226021 570968253 /nfs/dbraw/zinc/96/82/53/570968253.db2.gz DSEMUJURPNJSRE-UHFFFAOYSA-N 0 0 377.448 4.960 50 0 GJAARN O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1ccsc1 ZINC000033308230 570968717 /nfs/dbraw/zinc/96/87/17/570968717.db2.gz VJSFUCFAYZYPMF-UHFFFAOYSA-N 0 0 377.425 4.629 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000211112516 570969981 /nfs/dbraw/zinc/96/99/81/570969981.db2.gz QZIZUWXALFTLED-LJQANCHMSA-N 0 0 391.254 4.687 50 0 GJAARN COc1ccccc1[C@@]1(CCNC(=O)c2cccs2)CCO[C@H](C(C)C)C1 ZINC000002147286 570971612 /nfs/dbraw/zinc/97/16/12/570971612.db2.gz BBCRVOCQADCCJZ-UGKGYDQZSA-N 0 0 387.545 4.650 50 0 biogenic GJAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000012729819 570973200 /nfs/dbraw/zinc/97/32/00/570973200.db2.gz QEGOGFGBQIFWEZ-IBGZPJMESA-N 0 0 392.858 4.997 50 0 GJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000033317620 570973413 /nfs/dbraw/zinc/97/34/13/570973413.db2.gz LDUOPIZAZCWSDH-OAQYLSRUSA-N 0 0 391.515 4.806 50 0 GJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(CC)cc1 ZINC000033317662 570973899 /nfs/dbraw/zinc/97/38/99/570973899.db2.gz JDXCZRGMVFFFJR-QFIPXVFZSA-N 0 0 391.515 4.751 50 0 GJAARN COc1cc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc(OC)c1 ZINC000011341104 570975291 /nfs/dbraw/zinc/97/52/91/570975291.db2.gz HTOIRXAVMOHUCP-LLVKDONJSA-N 0 0 396.306 4.586 50 0 GJAARN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(C(C)(C)C)n1 ZINC000107646433 570975343 /nfs/dbraw/zinc/97/53/43/570975343.db2.gz CICRYRXUWQEQGR-UHFFFAOYSA-N 0 0 393.516 4.908 50 0 GJAARN CCCCC(=O)Nc1ccc(N2CCn3c4ccc(Cl)cc4nc3C2)cc1 ZINC000033320600 570977157 /nfs/dbraw/zinc/97/71/57/570977157.db2.gz NEDIQRVRZKKHRV-UHFFFAOYSA-N 0 0 382.895 4.839 50 0 GJAARN Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccccc2Cl)CCCC1 ZINC000004772541 570977894 /nfs/dbraw/zinc/97/78/94/570977894.db2.gz KLQFOOVXFIHPKR-UHFFFAOYSA-N 0 0 396.882 4.890 50 0 GJAARN Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2)n1 ZINC000033325008 570979362 /nfs/dbraw/zinc/97/93/62/570979362.db2.gz FVBYFKAFXWSFPK-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)cc1F ZINC000001401142 570980746 /nfs/dbraw/zinc/98/07/46/570980746.db2.gz BKCAUQAJQNRHKO-UHFFFAOYSA-N 0 0 377.778 4.705 50 0 GJAARN Cc1cc(C)n([C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2cccs2)n1 ZINC000585148157 570981288 /nfs/dbraw/zinc/98/12/88/570981288.db2.gz SCTJJZCSXDCCGH-INIZCTEOSA-N 0 0 393.434 4.600 50 0 GJAARN Cc1ccc(CS(=O)(=O)c2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000001400941 570981921 /nfs/dbraw/zinc/98/19/21/570981921.db2.gz ADZJDKCBFKJEMA-UHFFFAOYSA-N 0 0 390.464 4.686 50 0 GJAARN COc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3N)n2)cc1 ZINC000001405141 570982694 /nfs/dbraw/zinc/98/26/94/570982694.db2.gz UXQNYWDGJXHAIG-UHFFFAOYSA-N 0 0 382.876 4.907 50 0 GJAARN COc1ccc(CCC(=O)N[C@H](Cc2cccc(O)c2)c2ccccc2)cc1F ZINC000083953137 570982999 /nfs/dbraw/zinc/98/29/99/570982999.db2.gz CLBQTQYKMPBCDL-JOCHJYFZSA-N 0 0 393.458 4.573 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccncc1Cl ZINC000170646503 570983665 /nfs/dbraw/zinc/98/36/65/570983665.db2.gz MDEDSOFFSLPNNH-SNVBAGLBSA-N 0 0 375.856 4.797 50 0 GJAARN COc1ccc(C(=O)C2CCN(C(=O)CSc3cc(C)ccc3C)CC2)cc1 ZINC000012742098 570986756 /nfs/dbraw/zinc/98/67/56/570986756.db2.gz HJKQFJBMIZIYFD-UHFFFAOYSA-N 0 0 397.540 4.526 50 0 GJAARN CCc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2ccccc2)no1 ZINC000033331272 570987148 /nfs/dbraw/zinc/98/71/48/570987148.db2.gz DRZAEDLOHFNZCQ-UHFFFAOYSA-N 0 0 394.431 4.814 50 0 GJAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000004784238 570988669 /nfs/dbraw/zinc/98/86/69/570988669.db2.gz VEQQZGYSGAQWCE-SANMLTNESA-N 0 0 399.490 4.565 50 0 GJAARN Cc1oc2nc(S[C@H]3CCCCC3=O)nc(NC(=O)c3ccccc3)c2c1C ZINC000045537042 570992612 /nfs/dbraw/zinc/99/26/12/570992612.db2.gz LQLWVXCPJILYRJ-INIZCTEOSA-N 0 0 395.484 4.696 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000045701769 570995184 /nfs/dbraw/zinc/99/51/84/570995184.db2.gz GETINDRVECREAQ-UHFFFAOYSA-N 0 0 379.272 4.655 50 0 GJAARN CCC(C)(C)c1ccc(Oc2nc3ccccc3nc2N2CCOCC2)cc1 ZINC000045900742 570999394 /nfs/dbraw/zinc/99/93/94/570999394.db2.gz DRUUYKVYJKIRLS-UHFFFAOYSA-N 0 0 377.488 4.946 50 0 GJAARN CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004873109 571000499 /nfs/dbraw/zinc/00/04/99/571000499.db2.gz LOQMKRXPKJVYSA-MQBCKMQZSA-N 0 0 384.442 4.611 50 0 GJAARN CCOC(=O)C1CCN(c2nc3ccccc3nc2Oc2ccccc2C)CC1 ZINC000045921821 571000801 /nfs/dbraw/zinc/00/08/01/571000801.db2.gz NJCMJZDHDVEECE-UHFFFAOYSA-N 0 0 391.471 4.510 50 0 GJAARN COc1ccc(C2=NC3(CCCC3)N(C(=O)c3cccc(C)c3)C2=S)cc1 ZINC000045933129 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Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)c1 ZINC000000678092 212173322 /nfs/dbraw/zinc/17/33/22/212173322.db2.gz JNOUJXYFQNKREP-UHFFFAOYSA-N 0 0 380.469 4.635 50 0 GJAARN O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1ccc(Cl)cc1 ZINC000000668980 212172765 /nfs/dbraw/zinc/17/27/65/212172765.db2.gz YWNGLAYYWCADFI-UHFFFAOYSA-N 0 0 379.070 4.995 50 0 GJAARN Clc1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)c(Cl)c1 ZINC000000632778 212167289 /nfs/dbraw/zinc/16/72/89/212167289.db2.gz QXGYNLHFYCAXDC-UHFFFAOYSA-N 0 0 375.284 4.674 50 0 GJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2F)cc1 ZINC000000633483 212167348 /nfs/dbraw/zinc/16/73/48/212167348.db2.gz SOTPWKNSMQATNP-UHFFFAOYSA-N 0 0 392.455 4.826 50 0 GJAARN Fc1ccc(Cc2nn3c(nnc3-c3cccc(C(F)(F)F)c3)s2)cc1 ZINC000000632692 212167441 /nfs/dbraw/zinc/16/74/41/212167441.db2.gz XYQYBSKXSCORRK-UHFFFAOYSA-N 0 0 378.354 4.602 50 0 GJAARN CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3cc4ccccc4o3)coc2c1C ZINC000000630475 212166992 /nfs/dbraw/zinc/16/69/92/212166992.db2.gz SSYKBPDYQMJVGZ-AWEZNQCLSA-N 0 0 392.407 4.845 50 0 biogenic GJAARN COc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCCC4)cc1 ZINC000000630513 212166635 /nfs/dbraw/zinc/16/66/35/212166635.db2.gz QVRBFARLKACXKF-UHFFFAOYSA-N 0 0 399.541 4.700 50 0 GJAARN c1nc(NCc2ccc(NCc3ccc(OCc4ccccc4)cc3)cc2)n[nH]1 ZINC000000623744 212166064 /nfs/dbraw/zinc/16/60/64/212166064.db2.gz QPVHQQKCGDFPQA-UHFFFAOYSA-N 0 0 385.471 4.608 50 0 GJAARN CCOC(=O)c1cnn2c1nc(-c1ccc(C(C)C)cc1)cc2C(F)(F)F ZINC000000653125 212169752 /nfs/dbraw/zinc/16/97/52/212169752.db2.gz OWQJQNILELACFW-UHFFFAOYSA-N 0 0 377.366 4.715 50 0 GJAARN COc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c(OC)c1 ZINC000000652463 212169284 /nfs/dbraw/zinc/16/92/84/212169284.db2.gz CZAIJUPKJKRLMB-UHFFFAOYSA-N 0 0 376.456 4.545 50 0 GJAARN CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000643877 212168437 /nfs/dbraw/zinc/16/84/37/212168437.db2.gz IMXSJZKJLVRUIX-GFCCVEGCSA-N 0 0 390.574 4.963 50 0 GJAARN Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)cc1 ZINC000000644323 212168029 /nfs/dbraw/zinc/16/80/29/212168029.db2.gz PBMLVLMGCICMJP-JOCHJYFZSA-N 0 0 395.549 4.683 50 0 GJAARN COc1ccc(OC)c(NC(=O)Oc2cc(C)c(Br)cc2C)c1 ZINC000000640873 212167898 /nfs/dbraw/zinc/16/78/98/212167898.db2.gz HRUJUNFRBJPADM-UHFFFAOYSA-N 0 0 380.238 4.694 50 0 GJAARN O=C(/C=C\c1c(F)cccc1F)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000096179261 212153693 /nfs/dbraw/zinc/15/36/93/212153693.db2.gz GROITFWWSCKFAM-CLFYSBASSA-N 0 0 390.817 4.506 50 0 GJAARN Cc1cc(-c2nnco2)ccc1NC(=O)/C=C\c1ccccc1OC(F)(F)F ZINC000096188229 212153756 /nfs/dbraw/zinc/15/37/56/212153756.db2.gz VCKXQUFZZSZOSK-CLFYSBASSA-N 0 0 389.333 4.596 50 0 GJAARN CC[C@H](C)N1COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2C1 ZINC000012442689 212149416 /nfs/dbraw/zinc/14/94/16/212149416.db2.gz NCPYAESLTGIDJW-AWEZNQCLSA-N 0 0 381.428 4.544 50 0 biogenic GJAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1 ZINC000009660105 212148583 /nfs/dbraw/zinc/14/85/83/212148583.db2.gz MVHZTWVPHOADBO-UHFFFAOYSA-N 0 0 389.382 4.860 50 0 GJAARN CCOC(=O)c1c2cc(O[C@@H](C)C(=O)OCC)ccc2oc1-c1ccccc1 ZINC000001168205 212145244 /nfs/dbraw/zinc/14/52/44/212145244.db2.gz WSSZCYCBAKWOFG-AWEZNQCLSA-N 0 0 382.412 4.607 50 0 GJAARN COc1ccc(Oc2c(C)oc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 ZINC000002098875 212145102 /nfs/dbraw/zinc/14/51/02/212145102.db2.gz ZBKASVNBKCIENT-UHFFFAOYSA-N 0 0 392.363 4.715 50 0 biogenic GJAARN Cc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263618868 212143015 /nfs/dbraw/zinc/14/30/15/212143015.db2.gz VWWCGJNAMFECKG-LJQANCHMSA-N 0 0 392.846 4.833 50 0 GJAARN O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc2ccccc2c1 ZINC000001084804 212142820 /nfs/dbraw/zinc/14/28/20/212142820.db2.gz KJMMPIJVGYKAQO-LDADJPATSA-N 0 0 378.225 4.947 50 0 GJAARN Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccs5)no4)cc3CO2)cc1 ZINC000263617769 212141164 /nfs/dbraw/zinc/14/11/64/212141164.db2.gz PNKYLIFVNFCQNB-HNNXBMFYSA-N 0 0 384.848 4.587 50 0 GJAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nc(-c2cccnc2)cs1 ZINC000263587119 212140359 /nfs/dbraw/zinc/14/03/59/212140359.db2.gz CITCKGIVAUAOSK-QGZVFWFLSA-N 0 0 380.498 4.686 50 0 GJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)CC2CC2)[C@@H]1c1cccs1 ZINC000257173372 212139980 /nfs/dbraw/zinc/13/99/80/212139980.db2.gz LMIAJHBXYYXDAL-SFTDATJTSA-N 0 0 396.556 4.553 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000245255635 212134547 /nfs/dbraw/zinc/13/45/47/212134547.db2.gz JMSLMZDZXIQXOY-VWNXMTODSA-N 0 0 386.451 4.946 50 0 GJAARN CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000245258172 212133755 /nfs/dbraw/zinc/13/37/55/212133755.db2.gz MKMXQNVTEXGGJP-KBRIMQKVSA-N 0 0 397.544 4.566 50 0 GJAARN COc1cccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc21 ZINC000328597049 212082901 /nfs/dbraw/zinc/08/29/01/212082901.db2.gz CVIJRROHERGFHR-IBGZPJMESA-N 0 0 393.874 4.903 50 0 GJAARN Cc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 ZINC000001405071 209116457 /nfs/dbraw/zinc/11/64/57/209116457.db2.gz NPLSVMWJNGDGGJ-UHFFFAOYSA-N 0 0 378.432 4.679 50 0 GJAARN COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O ZINC000001197371 209115477 /nfs/dbraw/zinc/11/54/77/209115477.db2.gz HJAORAGSGARQSV-BOPFTXTBSA-N 0 0 386.498 4.523 50 0 GJAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000334161874 206254632 /nfs/dbraw/zinc/25/46/32/206254632.db2.gz GQRMCWXDEQXWKK-UHFFFAOYSA-N 0 0 384.863 4.792 50 0 GJAARN C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000245053481 206280148 /nfs/dbraw/zinc/28/01/48/206280148.db2.gz OWCIJZXKECTWBE-ZDUSSCGKSA-N 0 0 397.418 4.502 50 0 GJAARN Fc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2CO1 ZINC000263617501 206289539 /nfs/dbraw/zinc/28/95/39/206289539.db2.gz OBWPQEVREOOIJN-QGZVFWFLSA-N 0 0 396.809 4.664 50 0 GJAARN CSCC[C@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2n1C ZINC000263588489 206289742 /nfs/dbraw/zinc/28/97/42/206289742.db2.gz UTGLJINURSAZPQ-AZUAARDMSA-N 0 0 398.576 4.573 50 0 GJAARN COc1ccc(-c2c(C)c3cc(OC(=O)c4ccco4)ccc3oc2=O)cc1 ZINC000004340718 206293855 /nfs/dbraw/zinc/29/38/55/206293855.db2.gz NLOZXBOBPQHLAJ-UHFFFAOYSA-N 0 0 376.364 4.589 50 0 GJAARN Cc1nc(COc2ccccc2/C=C\C(=O)Nc2nc3c(s2)CCC3)cs1 ZINC000096794818 206302481 /nfs/dbraw/zinc/30/24/81/206302481.db2.gz MOVTVDXCZYJRRA-KTKRTIGZSA-N 0 0 397.525 4.628 50 0 GJAARN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(Cl)c1 ZINC000000623794 206307522 /nfs/dbraw/zinc/30/75/22/206307522.db2.gz RWLBOTVCABOMIC-UHFFFAOYSA-N 0 0 383.238 4.980 50 0 GJAARN CCOC(=O)[C@H](Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3)c1ccccc1 ZINC000000622714 206308337 /nfs/dbraw/zinc/30/83/37/206308337.db2.gz IPNYTKGRGODNKH-JOCHJYFZSA-N 0 0 392.451 4.663 50 0 GJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1 ZINC000000625412 206308483 /nfs/dbraw/zinc/30/84/83/206308483.db2.gz CWJBIHJQGQSJGO-UHFFFAOYSA-N 0 0 377.494 4.971 50 0 GJAARN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(cccc3C(C)C)s2)no1 ZINC000009207031 206308733 /nfs/dbraw/zinc/30/87/33/206308733.db2.gz NNBLHYIRHNUAJV-CQSZACIVSA-N 0 0 385.489 4.542 50 0 GJAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Br)o1 ZINC000000629935 206309183 /nfs/dbraw/zinc/30/91/83/206309183.db2.gz KDWNWLWLJVKWDS-UHFFFAOYSA-N 0 0 382.217 4.609 50 0 GJAARN Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)c1 ZINC000000629954 206309373 /nfs/dbraw/zinc/30/93/73/206309373.db2.gz SQDXESGTTJTEMK-GLSWWRQESA-N 0 0 379.459 4.782 50 0 GJAARN O=C(c1cc(C(=O)c2ccccc2)n2cnc3ccccc3c12)c1ccccc1 ZINC000000629157 206309426 /nfs/dbraw/zinc/30/94/26/206309426.db2.gz RTWVBZFBKRQBRK-UHFFFAOYSA-N 0 0 376.415 4.950 50 0 GJAARN COc1cccc(-c2nn3c(nnc3-c3cccc(C(F)(F)F)c3)s2)c1 ZINC000000632679 206309601 /nfs/dbraw/zinc/30/96/01/206309601.db2.gz JTXVPFYGMHVVNB-UHFFFAOYSA-N 0 0 376.363 4.547 50 0 GJAARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccc(C)cc3)cc12 ZINC000000637453 206310360 /nfs/dbraw/zinc/31/03/60/206310360.db2.gz CEDPAKWXAPNMPR-UHFFFAOYSA-N 0 0 384.435 4.717 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(I)cc2C(C)C)c1 ZINC000000638598 206310807 /nfs/dbraw/zinc/31/08/07/206310807.db2.gz DTDCCMCGRDOENM-UHFFFAOYSA-N 0 0 379.241 4.975 50 0 GJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000644199 206312019 /nfs/dbraw/zinc/31/20/19/206312019.db2.gz OOPXRHLTUKVLAZ-UHFFFAOYSA-N 0 0 394.858 4.531 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)c4ccc(OC)c(OC)c4)c(N)c3cc2C1 ZINC000000661964 206312678 /nfs/dbraw/zinc/31/26/78/206312678.db2.gz BPOTXELOESREBY-LBPRGKRZSA-N 0 0 396.512 4.642 50 0 GJAARN CC[C@H]1CCc2nc3sc(C(=O)N[C@@H](C)c4ccccc4)c(N)c3cc2C1 ZINC000000661938 206313422 /nfs/dbraw/zinc/31/34/22/206313422.db2.gz RQKMXMOOFSCDLJ-KBPBESRZSA-N 0 0 379.529 4.884 50 0 GJAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(OC)cc1Cl ZINC000000668829 206313972 /nfs/dbraw/zinc/31/39/72/206313972.db2.gz GGMVOTQJBUXCGV-NSHDSACASA-N 0 0 384.259 4.725 50 0 GJAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 ZINC000000669586 206314805 /nfs/dbraw/zinc/31/48/05/206314805.db2.gz WLNOHGYPHCFZEX-LLVKDONJSA-N 0 0 390.936 4.904 50 0 GJAARN CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000000665624 206314813 /nfs/dbraw/zinc/31/48/13/206314813.db2.gz NSXALEROSGDSNA-UHFFFAOYSA-N 0 0 379.787 4.558 50 0 GJAARN Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1Br ZINC000000678938 206315888 /nfs/dbraw/zinc/31/58/88/206315888.db2.gz DPBOAKJYVURRAU-UHFFFAOYSA-N 0 0 383.698 4.538 50 0 GJAARN Cc1ccc(NN2C(=O)c3cccc4cc(Br)cc(c43)C2=O)c(C)c1 ZINC000000686937 206316512 /nfs/dbraw/zinc/31/65/12/206316512.db2.gz NQDGUUBOGXYOIP-UHFFFAOYSA-N 0 0 395.256 4.842 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000000681050 206316628 /nfs/dbraw/zinc/31/66/28/206316628.db2.gz URUWQZXSZPASDA-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl ZINC000000681076 206316841 /nfs/dbraw/zinc/31/68/41/206316841.db2.gz ZBPWUYFBXMMHAD-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000710376 206318091 /nfs/dbraw/zinc/31/80/91/206318091.db2.gz MUVWESMJQHQIBT-UHFFFAOYSA-N 0 0 395.436 4.573 50 0 GJAARN COc1ccc(OC)c(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 ZINC000000784497 206320219 /nfs/dbraw/zinc/32/02/19/206320219.db2.gz MKFHNOQURWCEBC-UHFFFAOYSA-N 0 0 380.425 4.677 50 0 GJAARN COc1ccc(-c2csc3ncn(-c4ccc(Cl)cc4)c(=O)c23)cc1OC ZINC000000798347 206321561 /nfs/dbraw/zinc/32/15/61/206321561.db2.gz NAZQBIZLYUJQFG-UHFFFAOYSA-N 0 0 398.871 4.785 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 ZINC000000792680 206321842 /nfs/dbraw/zinc/32/18/42/206321842.db2.gz KTXHVODEIBZDFU-UHFFFAOYSA-N 0 0 377.465 4.943 50 0 GJAARN COc1cc(NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)c1cccs1 ZINC000000803540 206322412 /nfs/dbraw/zinc/32/24/12/206322412.db2.gz XRDLMTCPKYZNEH-UHFFFAOYSA-N 0 0 380.469 4.878 50 0 GJAARN O=C1c2ccccc2-c2nc3c(-c4ccccc4)nnc(-c4ccccc4)c3nc21 ZINC000000802076 206323266 /nfs/dbraw/zinc/32/32/66/206323266.db2.gz HMTZURFIGXGDMO-UHFFFAOYSA-N 0 0 386.414 4.965 50 0 GJAARN O=C1NCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c2ccccc21 ZINC000000843953 206326231 /nfs/dbraw/zinc/32/62/31/206326231.db2.gz OIBXIYPEWLZWDB-UHFFFAOYSA-N 0 0 386.842 4.789 50 0 GJAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000000841957 206326696 /nfs/dbraw/zinc/32/66/96/206326696.db2.gz MQIKRBUOIVQHJQ-QFIPXVFZSA-N 0 0 380.451 4.863 50 0 GJAARN Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc3c4c(cccc42)CC3)cc1 ZINC000000855046 206327348 /nfs/dbraw/zinc/32/73/48/206327348.db2.gz IWQFVVUFLZSCCZ-QFIPXVFZSA-N 0 0 395.549 4.683 50 0 GJAARN CCc1nc2ccccc2c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1C ZINC000000863150 206329412 /nfs/dbraw/zinc/32/94/12/206329412.db2.gz DQNHVMILWWKIQZ-ACCUITESSA-N 0 0 376.456 4.775 50 0 GJAARN CCC(=O)N([C@H](c1ccccc1)c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1 ZINC000009481495 206330606 /nfs/dbraw/zinc/33/06/06/206330606.db2.gz OAXFOJNYTWODFB-NZQKXSOJSA-N 0 0 381.516 4.981 50 0 GJAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OCc1ccccc1Oc1ccccc1 ZINC000036068142 206305180 /nfs/dbraw/zinc/30/51/80/206305180.db2.gz WJIDUVBGLZZTPO-CJLVFECKSA-N 0 0 387.435 4.699 50 0 GJAARN COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 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/nfs/dbraw/zinc/35/33/60/206353360.db2.gz AGVBRFMXEUZIPW-SFHVURJKSA-N 0 0 375.453 4.816 50 0 GJAARN Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000001114993 206354575 /nfs/dbraw/zinc/35/45/75/206354575.db2.gz WMKHFSUZWHEKSL-HUUCEWRRSA-N 0 0 394.693 4.967 50 0 GJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 ZINC000001120099 206355168 /nfs/dbraw/zinc/35/51/68/206355168.db2.gz YSZRFMQSSFJEPE-UHFFFAOYSA-N 0 0 386.455 4.607 50 0 GJAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1Cl ZINC000001135014 206357188 /nfs/dbraw/zinc/35/71/88/206357188.db2.gz PIDXLGKKUOZPMT-UHFFFAOYSA-N 0 0 394.327 4.720 50 0 GJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 ZINC000001133271 206357475 /nfs/dbraw/zinc/35/74/75/206357475.db2.gz BVJHBRTURNPISG-UHFFFAOYSA-N 0 0 383.473 4.599 50 0 GJAARN CCc1ccccc1N1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000001134259 206357800 /nfs/dbraw/zinc/35/78/00/206357800.db2.gz QJWXHYGPKDYKST-UHFFFAOYSA-N 0 0 380.241 4.965 50 0 GJAARN O=C(NCc1ccc(F)cc1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324367 206373186 /nfs/dbraw/zinc/37/31/86/206373186.db2.gz KZLMIRZPGOCMEH-UHFFFAOYSA-N 0 0 382.435 4.959 50 0 GJAARN Cc1ccc2nc(N(Cc3ccncc3)C(=O)COc3ccccc3)sc2c1 ZINC000010254278 206377113 /nfs/dbraw/zinc/37/71/13/206377113.db2.gz BLIKZKCPDMSALE-UHFFFAOYSA-N 0 0 389.480 4.612 50 0 GJAARN O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1F ZINC000001382140 206377123 /nfs/dbraw/zinc/37/71/23/206377123.db2.gz QKNOXTYLLUBWHA-UHFFFAOYSA-N 0 0 388.229 4.886 50 0 GJAARN COc1cc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000001392314 206377661 /nfs/dbraw/zinc/37/76/61/206377661.db2.gz SZULFHQAOIMQEU-UHFFFAOYSA-N 0 0 389.164 4.664 50 0 GJAARN CCOc1ccc(Cc2onc3c2C(=O)C[C@H](c2ccccc2)C3)cc1OCC ZINC000001421810 206380165 /nfs/dbraw/zinc/38/01/65/206380165.db2.gz QRGJQOZDMWXVAZ-GOSISDBHSA-N 0 0 391.467 4.976 50 0 GJAARN CCOc1ccc(Cc2onc3c2C(=O)C[C@@H](c2ccccc2)C3)cc1OCC ZINC000001421811 206380460 /nfs/dbraw/zinc/38/04/60/206380460.db2.gz QRGJQOZDMWXVAZ-SFHVURJKSA-N 0 0 391.467 4.976 50 0 GJAARN COc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br ZINC000001138116 206358566 /nfs/dbraw/zinc/35/85/66/206358566.db2.gz AWDHKTRQPYBPOL-UHFFFAOYSA-N 0 0 390.277 4.597 50 0 aggregator GJAARN CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000001147251 206359478 /nfs/dbraw/zinc/35/94/78/206359478.db2.gz ZQVPFKIZWSDROV-IBGZPJMESA-N 0 0 376.422 4.548 50 0 GJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001158118 206361062 /nfs/dbraw/zinc/36/10/62/206361062.db2.gz CQQQSSJHAFYUDK-UHFFFAOYSA-N 0 0 397.327 4.561 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000001156852 206361482 /nfs/dbraw/zinc/36/14/82/206361482.db2.gz KNAYNAFXRYBNTA-SNVBAGLBSA-N 0 0 383.662 4.638 50 0 GJAARN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000001161706 206361990 /nfs/dbraw/zinc/36/19/90/206361990.db2.gz WGFYWLYAEYSZFP-UHFFFAOYSA-N 0 0 388.305 4.962 50 0 GJAARN Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 ZINC000001162479 206362036 /nfs/dbraw/zinc/36/20/36/206362036.db2.gz IUHOBWMTNBNQEP-UHFFFAOYSA-N 0 0 379.485 4.594 50 0 GJAARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1 ZINC000001185417 206364878 /nfs/dbraw/zinc/36/48/78/206364878.db2.gz WVXWEHRDFJLKND-UHFFFAOYSA-N 0 0 396.874 4.997 50 0 GJAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 ZINC000001200827 206366185 /nfs/dbraw/zinc/36/61/85/206366185.db2.gz KYIGFWYFDRGGOC-MRVPVSSYSA-N 0 0 383.300 4.531 50 0 GJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001205664 206366214 /nfs/dbraw/zinc/36/62/14/206366214.db2.gz CPSWSJLTJIUYOH-UHFFFAOYSA-N 0 0 382.847 4.689 50 0 GJAARN CCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000001203998 206366734 /nfs/dbraw/zinc/36/67/34/206366734.db2.gz VCIXMTOLFWIRLL-UHFFFAOYSA-N 0 0 381.259 4.750 50 0 GJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C)cc1 ZINC000001197975 206367178 /nfs/dbraw/zinc/36/71/78/206367178.db2.gz JWIHDJNRNVJAJW-UHFFFAOYSA-N 0 0 388.423 4.829 50 0 GJAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CCCC3)c1 ZINC000001216358 206367423 /nfs/dbraw/zinc/36/74/23/206367423.db2.gz HHXNTJDFJZSLQF-UHFFFAOYSA-N 0 0 391.496 4.835 50 0 GJAARN O=C(COc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000001216664 206368049 /nfs/dbraw/zinc/36/80/49/206368049.db2.gz XVEVFSVMGGMPOR-UHFFFAOYSA-N 0 0 389.274 4.590 50 0 GJAARN CCOc1ccc([C@@H](NC(=O)c2ccccc2OC)c2ccc(OC)cc2)cc1 ZINC000001211455 206368226 /nfs/dbraw/zinc/36/82/26/206368226.db2.gz QMCHWRKKSOPMIA-QHCPKHFHSA-N 0 0 391.467 4.622 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(Br)cc1 ZINC000001230155 206369191 /nfs/dbraw/zinc/36/91/91/206369191.db2.gz KQWKPCYHNZNYNB-UHFFFAOYSA-N 0 0 376.033 4.740 50 0 GJAARN COc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000001249062 206370848 /nfs/dbraw/zinc/37/08/48/206370848.db2.gz WNUCBBSWWASGKB-NRFANRHFSA-N 0 0 393.874 4.903 50 0 GJAARN CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@H](C)C(=O)OCC)CCC3 ZINC000001775992 206391261 /nfs/dbraw/zinc/39/12/61/206391261.db2.gz RBEZBRYHOOWITJ-OAHLLOKOSA-N 0 0 386.488 4.735 50 0 GJAARN CCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001770233 206391536 /nfs/dbraw/zinc/39/15/36/206391536.db2.gz YUGATZKZPHGUNV-ZDUSSCGKSA-N 0 0 386.831 4.834 50 0 biogenic GJAARN Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCCCC4)c23)cc1 ZINC000001935807 206395008 /nfs/dbraw/zinc/39/50/08/206395008.db2.gz GGKJEAKTWIRPMA-UHFFFAOYSA-N 0 0 383.542 4.771 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000002101793 206398504 /nfs/dbraw/zinc/39/85/04/206398504.db2.gz QWEMTQXOWYCRFN-AWEZNQCLSA-N 0 0 375.852 4.621 50 0 GJAARN CCc1cccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)c1 ZINC000002235350 206402909 /nfs/dbraw/zinc/40/29/09/206402909.db2.gz AVWOSUVSYUEFDM-CQSZACIVSA-N 0 0 388.471 4.674 50 0 GJAARN CC1(C)Cc2nc3sc4c(ncnc4OCc4ccccc4)c3cc2CO1 ZINC000002253205 206404505 /nfs/dbraw/zinc/40/45/05/206404505.db2.gz RTPOMZQZYPJIGO-UHFFFAOYSA-N 0 0 377.469 4.670 50 0 GJAARN CSc1ccc([C@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 ZINC000002485266 206419280 /nfs/dbraw/zinc/41/92/80/206419280.db2.gz RBVLKNKGBVKWQS-MRXNPFEDSA-N 0 0 380.332 4.950 50 0 GJAARN Cc1cc(C)cc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 ZINC000002725347 206431199 /nfs/dbraw/zinc/43/11/99/206431199.db2.gz AVJRKAYFLKTXBW-KRWDZBQOSA-N 0 0 386.757 4.766 50 0 GJAARN Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)cc1 ZINC000002796575 206435741 /nfs/dbraw/zinc/43/57/41/206435741.db2.gz XARFOFYDOBLFQT-UHFFFAOYSA-N 0 0 376.243 4.787 50 0 GJAARN Cc1cc(OCn2ccc(C(=O)Nc3ccc4c(c3)CCC4)n2)ccc1Cl ZINC000002796222 206435847 /nfs/dbraw/zinc/43/58/47/206435847.db2.gz PMXOWGSRBBZQDL-UHFFFAOYSA-N 0 0 381.863 4.622 50 0 GJAARN O=C(CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1)NC1CCCCC1 ZINC000002809491 206438568 /nfs/dbraw/zinc/43/85/68/206438568.db2.gz XSLSGNKJVLROIY-UHFFFAOYSA-N 0 0 396.343 4.991 50 0 GJAARN Cc1nc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)sc1C ZINC000002849388 206440752 /nfs/dbraw/zinc/44/07/52/206440752.db2.gz IUTYGAXUOFIQEY-UHFFFAOYSA-N 0 0 397.338 4.837 50 0 GJAARN 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O=Cc1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000004739237 208720271 /nfs/dbraw/zinc/72/02/71/208720271.db2.gz NZLRWBUEWVVGAF-UHFFFAOYSA-N 0 0 388.030 4.742 50 0 GJAARN O=C(Nc1ccc(F)cc1Cl)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170622882 208753891 /nfs/dbraw/zinc/75/38/91/208753891.db2.gz SQRAMJFIJXEXIN-UHFFFAOYSA-N 0 0 385.704 4.800 50 0 GJAARN Cc1nc(C)c(C(=O)CSc2nc(-c3ccccc3)c3c(C)cc(C)nn23)o1 ZINC000170673104 208757672 /nfs/dbraw/zinc/75/76/72/208757672.db2.gz LFJLTXZTBSZHFC-UHFFFAOYSA-N 0 0 392.484 4.593 50 0 GJAARN CC(C)c1cc(C(=O)Nc2ccccc2F)nn1-c1nc2ccccc2s1 ZINC000012223558 208767461 /nfs/dbraw/zinc/76/74/61/208767461.db2.gz GXTUIWBGVDMNGR-UHFFFAOYSA-N 0 0 380.448 4.997 50 0 GJAARN O=C(c1cc(Br)cs1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208042683 208785962 /nfs/dbraw/zinc/78/59/62/208785962.db2.gz FIIWRZTXAVOLAU-CQSZACIVSA-N 0 0 382.348 4.831 50 0 GJAARN Cc1nc2sc([C@H](c3cccc(Cl)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000017144216 208799657 /nfs/dbraw/zinc/79/96/57/208799657.db2.gz MUZJPFBLOFZGSM-OZVIIMIRSA-N 0 0 390.940 4.526 50 0 GJAARN Cc1ccc(OCCCCNC(=O)NCCCCOc2ccc(C)cc2)cc1 ZINC000058158937 208853578 /nfs/dbraw/zinc/85/35/78/208853578.db2.gz FIVWJFNAPDPSCA-UHFFFAOYSA-N 0 0 384.520 4.621 50 0 GJAARN Cc1ccc(C(=O)C2CCN(C(=O)c3csc(-c4ccco4)n3)CC2)c(C)c1 ZINC000024456904 208868639 /nfs/dbraw/zinc/86/86/39/208868639.db2.gz VSZWJJJKMPSWSM-UHFFFAOYSA-N 0 0 394.496 4.755 50 0 GJAARN Cc1cn2c(/C=C/C(=O)N3CCCCC[C@@H]3c3cccn3C)c(C)nc2s1 ZINC000025712387 208889868 /nfs/dbraw/zinc/88/98/68/208889868.db2.gz AMBQSOUVSHVEKH-GNISGLHKSA-N 0 0 382.533 4.508 50 0 GJAARN CCCSc1nc2sc3c(c2c2nnc(SCC)n21)CC(C)(C)OC3 ZINC000002195825 220510134 /nfs/dbraw/zinc/51/01/34/220510134.db2.gz JBXBVXXRBVATID-UHFFFAOYSA-N 0 0 394.591 4.804 50 0 GJAARN Oc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 ZINC000002249394 220513469 /nfs/dbraw/zinc/51/34/69/220513469.db2.gz YSYHNLVRRRLPEZ-UHFFFAOYSA-N 0 0 382.467 4.922 50 0 GJAARN CCn1c2ccccc2c(=O)c(-c2ccc(OC)cc2)c1NC(=O)c1ccccc1 ZINC000002352540 220525738 /nfs/dbraw/zinc/52/57/38/220525738.db2.gz VDMYKYRKADLWBA-UHFFFAOYSA-N 0 0 398.462 4.949 50 0 GJAARN CC(C)c1nc2oc3c(ncnc3N3CCCCC3)c2c2c1COC(C)(C)C2 ZINC000002360085 220526531 /nfs/dbraw/zinc/52/65/31/220526531.db2.gz XCPFPEXNOKHCDT-UHFFFAOYSA-N 0 0 380.492 4.736 50 0 GJAARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000002403893 220529581 /nfs/dbraw/zinc/52/95/81/220529581.db2.gz LIEIPQQUHFKMJP-UHFFFAOYSA-N 0 0 385.448 4.671 50 0 GJAARN COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CCCCC1 ZINC000002338426 220523838 /nfs/dbraw/zinc/52/38/38/220523838.db2.gz BNTUAPBWSJPKDF-UHFFFAOYSA-N 0 0 396.516 4.829 50 0 GJAARN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1ccc(-n2cccn2)cc1 ZINC000225519554 208956554 /nfs/dbraw/zinc/95/65/54/208956554.db2.gz NPQZZLDIZWVGEH-IBGZPJMESA-N 0 0 388.515 4.807 50 0 GJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1c1nccs1 ZINC000002424282 220532878 /nfs/dbraw/zinc/53/28/78/220532878.db2.gz GOLCANJEDSPJRR-INIZCTEOSA-N 0 0 394.839 4.653 50 0 GJAARN CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000002442032 220535231 /nfs/dbraw/zinc/53/52/31/220535231.db2.gz KWECUZYQEFHBJX-MRXNPFEDSA-N 0 0 381.907 4.852 50 0 GJAARN O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)NC(=S)N1c1ccccc1 ZINC000002752133 220561307 /nfs/dbraw/zinc/56/13/07/220561307.db2.gz OKXLDCNLLCSKCD-ATVHPVEESA-N 0 0 380.856 4.862 50 0 GJAARN CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CC[C@@H](C)C2 ZINC000002708081 220554023 /nfs/dbraw/zinc/55/40/23/220554023.db2.gz VCIOEESTIXGQQN-GFCCVEGCSA-N 0 0 375.490 4.522 50 0 GJAARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCOCC3)cc21 ZINC000226075316 208986642 /nfs/dbraw/zinc/98/66/42/208986642.db2.gz SFMZAWQIZZJKOB-SFHVURJKSA-N 0 0 394.584 4.987 50 0 GJAARN O=C(Nc1ccccc1C(F)(F)F)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000002725256 220556091 /nfs/dbraw/zinc/55/60/91/220556091.db2.gz YDWXFHISTUZMGH-UHFFFAOYSA-N 0 0 392.255 4.514 50 0 GJAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CN([C@H]1CCCc2ccccc21)CO3 ZINC000061997635 209000108 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Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000002989868 220593513 /nfs/dbraw/zinc/59/35/13/220593513.db2.gz YXMYWBMUCJOJAV-UHFFFAOYSA-N 0 0 379.239 4.691 50 0 GJAARN CCCCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000002910651 220583313 /nfs/dbraw/zinc/58/33/13/220583313.db2.gz FFUMWSDMCXPEAJ-UHFFFAOYSA-N 0 0 398.553 4.722 50 0 GJAARN COc1cccc2cc(-c3cn(-c4ccc(F)c(F)c4)c(=S)[nH]3)c(=O)oc21 ZINC000002957855 220587909 /nfs/dbraw/zinc/58/79/09/220587909.db2.gz AODBSCTZURSBSY-UHFFFAOYSA-N 0 0 386.379 4.595 50 0 GJAARN Cc1ccccc1-n1c(=O)c2cnn(-c3ccccc3)c2nc1-c1ccccc1 ZINC000002970277 220590767 /nfs/dbraw/zinc/59/07/67/220590767.db2.gz BUSHPLPJLFMRIS-UHFFFAOYSA-N 0 0 378.435 4.547 50 0 GJAARN Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3cccc(C)c3)C(=O)O2)cc1 ZINC000002979318 220591940 /nfs/dbraw/zinc/59/19/40/220591940.db2.gz PDUBMALWZXWPFG-RCCKNPSSSA-N 0 0 397.430 4.867 50 0 GJAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1C1CCCCC1 ZINC000003038941 220599809 /nfs/dbraw/zinc/59/98/09/220599809.db2.gz PUKYJVZXEWOWLZ-QFIPXVFZSA-N 0 0 386.511 4.593 50 0 GJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1ccc(Cl)cc1 ZINC000003341631 220631346 /nfs/dbraw/zinc/63/13/46/220631346.db2.gz SPRQHOCBTFGGTH-UHFFFAOYSA-N 0 0 380.827 4.693 50 0 GJAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000003380270 220636777 /nfs/dbraw/zinc/63/67/77/220636777.db2.gz WVWYRQDCESXBEM-UHFFFAOYSA-N 0 0 391.423 4.591 50 0 GJAARN O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1 ZINC000003293440 220623149 /nfs/dbraw/zinc/62/31/49/220623149.db2.gz RSWBQWHETDHVMA-UHFFFAOYSA-N 0 0 389.263 4.714 50 0 GJAARN CN(C(=O)/C=C/c1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078431 220677753 /nfs/dbraw/zinc/67/77/53/220677753.db2.gz CYWGCMPZWKOWQQ-BQYQJAHWSA-N 0 0 379.529 4.682 50 0 GJAARN C[C@H](Oc1ccc(F)cc1)c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 ZINC000004667833 220744466 /nfs/dbraw/zinc/74/44/66/220744466.db2.gz QURMIXRZTSUTQA-NSHDSACASA-N 0 0 388.855 4.709 50 0 GJAARN Cc1cc2oc(=O)c(CC(=O)N3CCCC3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000004744392 220759702 /nfs/dbraw/zinc/75/97/02/220759702.db2.gz XIJXFZWMAWJEMT-UHFFFAOYSA-N 0 0 381.472 4.618 50 0 GJAARN Cc1ccc(-c2noc(CN(C(=O)Cc3ccc(Cl)cc3)C(C)C)n2)cc1 ZINC000004834495 220772964 /nfs/dbraw/zinc/77/29/64/220772964.db2.gz HXLISFICOXNZCD-UHFFFAOYSA-N 0 0 383.879 4.678 50 0 GJAARN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccccc1 ZINC000004784036 220764745 /nfs/dbraw/zinc/76/47/45/220764745.db2.gz ZIIKXLKLIXOJHA-UHFFFAOYSA-N 0 0 387.892 4.505 50 0 GJAARN Cc1ccc2oc(=O)c3cc(C(=O)NCc4ccccc4Cl)sc3c2c1 ZINC000004939630 220795866 /nfs/dbraw/zinc/79/58/66/220795866.db2.gz OHMDJCHBNNYMNW-UHFFFAOYSA-N 0 0 383.856 4.900 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000004992441 220806741 /nfs/dbraw/zinc/80/67/41/220806741.db2.gz OQCBXTKZJLERHR-UHFFFAOYSA-N 0 0 398.890 4.889 50 0 GJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)cc2)N1 ZINC000005072079 220825969 /nfs/dbraw/zinc/82/59/69/220825969.db2.gz QCCRBBGYWXORFX-NRFANRHFSA-N 0 0 384.414 4.624 50 0 GJAARN C[C@H]1Cc2ccccc2N1C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000005147296 220836720 /nfs/dbraw/zinc/83/67/20/220836720.db2.gz NHNJGPDBZKBSDG-AWEZNQCLSA-N 0 0 391.471 4.722 50 0 GJAARN Cc1cc2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc2c(C)c1 ZINC000005182308 220840937 /nfs/dbraw/zinc/84/09/37/220840937.db2.gz BTELREDNVPJJFA-UHFFFAOYSA-N 0 0 391.949 4.590 50 0 GJAARN CCOc1ccccc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000005316769 220855756 /nfs/dbraw/zinc/85/57/56/220855756.db2.gz GLUGKIGRUHKBRE-UHFFFAOYSA-N 0 0 375.424 4.599 50 0 GJAARN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl ZINC000005216215 220845648 /nfs/dbraw/zinc/84/56/48/220845648.db2.gz OEIJFUAVVLJDAF-ZEYPLWLESA-N 0 0 399.918 4.857 50 0 GJAARN O=C(Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1)C1CC1 ZINC000005491386 220876643 /nfs/dbraw/zinc/87/66/43/220876643.db2.gz RKCBFKAQHOFBCL-UHFFFAOYSA-N 0 0 381.435 4.809 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1cccs1 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CCc1cc2c(cc1S(=O)(=O)Nc1cccc(C)c1C)[nH]c1c2C(=O)CCC1 ZINC000009685871 221089001 /nfs/dbraw/zinc/08/90/01/221089001.db2.gz ILZGAWPCEBAZOS-UHFFFAOYSA-N 0 0 396.512 4.667 50 0 GJAARN CCc1cc2c(cc1S(=O)(=O)Nc1cc(C)ccc1C)[nH]c1c2C(=O)CCC1 ZINC000009685912 221089210 /nfs/dbraw/zinc/08/92/10/221089210.db2.gz MYOCMMAHYUYSHF-UHFFFAOYSA-N 0 0 396.512 4.667 50 0 GJAARN COc1ccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c(Cl)c1OC ZINC000011762324 221124925 /nfs/dbraw/zinc/12/49/25/221124925.db2.gz OTNLDWARHDEPAZ-QGZVFWFLSA-N 0 0 378.875 4.573 50 0 GJAARN CN(c1nnc(-c2ccc(NC(=O)c3ccco3)cc2)s1)c1ccccc1 ZINC000011797043 221125935 /nfs/dbraw/zinc/12/59/35/221125935.db2.gz QAPBIIDUYOZJCD-UHFFFAOYSA-N 0 0 376.441 4.818 50 0 GJAARN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1Cc1ccsc1 ZINC000011822056 221129764 /nfs/dbraw/zinc/12/97/64/221129764.db2.gz AJQVVIONEDGXIE-NRFANRHFSA-N 0 0 393.512 4.929 50 0 GJAARN Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)c(C)o1 ZINC000011835536 221130472 /nfs/dbraw/zinc/13/04/72/221130472.db2.gz 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COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCCc1ccccc1 ZINC000012371664 221186251 /nfs/dbraw/zinc/18/62/51/221186251.db2.gz CSRTWGONOQTODF-QGZVFWFLSA-N 0 0 379.481 4.852 50 0 GJAARN COc1ccc2cc([C@H](C)NC(=O)c3cn(C4CCCCCC4)nn3)ccc2c1 ZINC000012373173 221186372 /nfs/dbraw/zinc/18/63/72/221186372.db2.gz MJVCGTNSXXVGSG-INIZCTEOSA-N 0 0 392.503 4.826 50 0 GJAARN COc1ccc(-c2nc3sc(C(=O)N4CCCCC4)c(C)c3c(C)n2)cc1 ZINC000012388840 221187987 /nfs/dbraw/zinc/18/79/87/221187987.db2.gz RKGQKYXOJZAOSF-UHFFFAOYSA-N 0 0 381.501 4.610 50 0 GJAARN Cc1noc(C)c1CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000012606218 221215047 /nfs/dbraw/zinc/21/50/47/221215047.db2.gz RDOJZERCUFLLPO-UHFFFAOYSA-N 0 0 382.514 4.817 50 0 GJAARN O=C(Cc1cn2ccsc2n1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000012629180 221215423 /nfs/dbraw/zinc/21/54/23/221215423.db2.gz LJZJSXLPFQFKKJ-UHFFFAOYSA-N 0 0 394.525 4.579 50 0 GJAARN Cc1cccc(Nc2nnc(SCCC(=O)NC3CCCCC3)s2)c1C ZINC000012643718 221217111 /nfs/dbraw/zinc/21/71/11/221217111.db2.gz 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221225149 /nfs/dbraw/zinc/22/51/49/221225149.db2.gz YROXSKBDESQDTK-FQEVSTJZSA-N 0 0 391.858 4.791 50 0 GJAARN Cc1cc(C)cc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000012755834 221225849 /nfs/dbraw/zinc/22/58/49/221225849.db2.gz DVSVMMUSLUPJKC-KRWDZBQOSA-N 0 0 380.513 4.698 50 0 GJAARN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000012755506 221226047 /nfs/dbraw/zinc/22/60/47/221226047.db2.gz XCQDMRHCXKITDA-UHFFFAOYSA-N 0 0 378.447 4.939 50 0 GJAARN COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(OC)c1 ZINC000012766906 221227622 /nfs/dbraw/zinc/22/76/22/221227622.db2.gz SAWIYWICHKGRHQ-UHFFFAOYSA-N 0 0 394.452 4.504 50 0 GJAARN CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OCC(F)(F)F)cc1 ZINC000012764984 221228337 /nfs/dbraw/zinc/22/83/37/221228337.db2.gz ZELDWTFGBKJJHS-UHFFFAOYSA-N 0 0 395.377 4.628 50 0 GJAARN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 ZINC000012761337 221228353 /nfs/dbraw/zinc/22/83/53/221228353.db2.gz HNYFHHKQXMJFIL-OAHLLOKOSA-N 0 0 386.879 4.784 50 0 GJAARN COc1ccc(NC(=O)CSc2ccc(Br)cc2C)c(OC)c1 ZINC000012767647 221229258 /nfs/dbraw/zinc/22/92/58/221229258.db2.gz XSTQRAZCSXAEJG-UHFFFAOYSA-N 0 0 396.306 4.506 50 0 GJAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1OCC(F)(F)F ZINC000012778512 221230266 /nfs/dbraw/zinc/23/02/66/221230266.db2.gz GAMCMZFABVPGGR-UHFFFAOYSA-N 0 0 382.363 4.525 50 0 GJAARN COc1ccc(OC)c(C(=O)Oc2ccc3cc(Br)ccc3c2)c1 ZINC000012774283 221230310 /nfs/dbraw/zinc/23/03/10/221230310.db2.gz MLZAGFOAYRIXDV-UHFFFAOYSA-N 0 0 387.229 4.839 50 0 GJAARN CCOc1cc2c(cc1CNC(=O)c1cccc(Cl)c1Cl)O[C@@H](C)C2 ZINC000012786337 221231384 /nfs/dbraw/zinc/23/13/84/221231384.db2.gz BERSYSZNXVMIDH-NSHDSACASA-N 0 0 380.271 4.646 50 0 GJAARN COc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cn1 ZINC000012791350 221232544 /nfs/dbraw/zinc/23/25/44/221232544.db2.gz GVCVJULZSJGWIA-UHFFFAOYSA-N 0 0 377.425 4.726 50 0 GJAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)C1 ZINC000012793530 221232643 /nfs/dbraw/zinc/23/26/43/221232643.db2.gz WBAIXKCUWQRDSM-NSHDSACASA-N 0 0 384.332 4.934 50 0 GJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cccc(C(C)=O)c1 ZINC000012802122 221233424 /nfs/dbraw/zinc/23/34/24/221233424.db2.gz WELXPXKJYCJYCC-UHFFFAOYSA-N 0 0 390.468 4.635 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012807984 221234369 /nfs/dbraw/zinc/23/43/69/221234369.db2.gz PLRGOHOKQLSZDD-HXUWFJFHSA-N 0 0 389.480 4.713 50 0 GJAARN COc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1 ZINC000012808958 221235292 /nfs/dbraw/zinc/23/52/92/221235292.db2.gz SUPICPFEPYJWES-UHFFFAOYSA-N 0 0 382.470 4.779 50 0 GJAARN COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3C)cs2)cc1OC ZINC000012816597 221235804 /nfs/dbraw/zinc/23/58/04/221235804.db2.gz UMXMRRBKMIWSGB-AWEZNQCLSA-N 0 0 382.485 4.627 50 0 GJAARN Cc1ccc2c(C)c(CCC(=O)Nc3nc4c(s3)CCCCC4)c(=O)oc2c1 ZINC000012829298 221237512 /nfs/dbraw/zinc/23/75/12/221237512.db2.gz MLOPKFPULZVKMK-UHFFFAOYSA-N 0 0 396.512 4.707 50 0 GJAARN O=C(CCc1ccco1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012858494 221239355 /nfs/dbraw/zinc/23/93/55/221239355.db2.gz PQTLZIAQBUVLRN-UHFFFAOYSA-N 0 0 391.290 4.661 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000012860198 221239362 /nfs/dbraw/zinc/23/93/62/221239362.db2.gz GNMWWOPKEVKGIW-UHFFFAOYSA-N 0 0 387.527 4.569 50 0 GJAARN CCN(C(=O)c1ccc(F)cc1Br)c1nc2ccccc2s1 ZINC000012897943 221243038 /nfs/dbraw/zinc/24/30/38/221243038.db2.gz TUPQFJCECHSLCW-UHFFFAOYSA-N 0 0 379.254 4.865 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000012897957 221243317 /nfs/dbraw/zinc/24/33/17/221243317.db2.gz JCBHHHXWOHJVHW-HNNXBMFYSA-N 0 0 396.922 4.762 50 0 GJAARN Fc1ccc(-c2nc(CSc3nnnn3C3CCCCC3)cs2)cc1 ZINC000012898453 221243350 /nfs/dbraw/zinc/24/33/50/221243350.db2.gz XNZDLLODVQYCJW-UHFFFAOYSA-N 0 0 375.498 4.733 50 0 GJAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000012896562 221243380 /nfs/dbraw/zinc/24/33/80/221243380.db2.gz KESFVYMUBIQWRS-AZUAARDMSA-N 0 0 386.499 4.587 50 0 GJAARN COc1cc(C)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1OC ZINC000012924626 221247369 /nfs/dbraw/zinc/24/73/69/221247369.db2.gz HTOKGISGKNJINB-UHFFFAOYSA-N 0 0 396.491 4.714 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1F ZINC000012928246 221248186 /nfs/dbraw/zinc/24/81/86/221248186.db2.gz GAPHGYGHFUBMPK-UHFFFAOYSA-N 0 0 380.341 4.754 50 0 GJAARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1OC ZINC000012928518 221248287 /nfs/dbraw/zinc/24/82/87/221248287.db2.gz YDDXTYPXOLGBQW-UHFFFAOYSA-N 0 0 380.469 4.568 50 0 GJAARN CCC[C@@H](NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)c1ccccc1 ZINC000012928129 221248290 /nfs/dbraw/zinc/24/82/90/221248290.db2.gz GEOLFUYZMWALFX-QUCCMNQESA-N 0 0 392.528 4.811 50 0 GJAARN COc1ccc2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(=O)oc2c1 ZINC000012948403 221250219 /nfs/dbraw/zinc/25/02/19/221250219.db2.gz DEFGAHKMPQLWCQ-UHFFFAOYSA-N 0 0 388.301 4.537 50 0 GJAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cc(F)cc(F)c1 ZINC000012997823 221254056 /nfs/dbraw/zinc/25/40/56/221254056.db2.gz LBHVUICTOHMCQU-IBGZPJMESA-N 0 0 390.480 4.674 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 ZINC000012995302 221254197 /nfs/dbraw/zinc/25/41/97/221254197.db2.gz DGTVIWHOLXYVEZ-AWEZNQCLSA-N 0 0 398.484 4.792 50 0 GJAARN Cc1ccnc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000013284590 221264685 /nfs/dbraw/zinc/26/46/85/221264685.db2.gz VIHDQMBHVVQRIH-KGENOOAVSA-N 0 0 383.451 4.647 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000013331398 221264710 /nfs/dbraw/zinc/26/47/10/221264710.db2.gz VTKAIQFALIIREB-UHFFFAOYSA-N 0 0 378.476 4.899 50 0 GJAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)Cc1ccccc1 ZINC000013369982 221268274 /nfs/dbraw/zinc/26/82/74/221268274.db2.gz HMJAWJCOGSXLJU-UXHICEINSA-N 0 0 392.547 4.648 50 0 biogenic GJAARN COc1ccc([C@H]2CCCN2C(=S)Nc2cccc(Cl)c2)cc1OC ZINC000013523953 221270315 /nfs/dbraw/zinc/27/03/15/221270315.db2.gz DVVWFVPALFABMJ-MRXNPFEDSA-N 0 0 376.909 4.891 50 0 GJAARN COc1ccc(N2C(=S)N=NC2c2cc(-c3ccccc3)sc2N)cc1 ZINC000013658523 221279419 /nfs/dbraw/zinc/27/94/19/221279419.db2.gz RNRCQAONSXNSTR-UHFFFAOYSA-N 0 0 380.498 4.542 50 0 GJAARN COc1ccc(-c2nc3sc(C(=O)Nc4nccs4)c(C)c3c(C)n2)cc1 ZINC000013687594 221280881 /nfs/dbraw/zinc/28/08/81/221280881.db2.gz NFCDZPPDUIBKGJ-UHFFFAOYSA-N 0 0 396.497 4.693 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(Cl)c(Cl)c1 ZINC000013695902 221281877 /nfs/dbraw/zinc/28/18/77/221281877.db2.gz AIPJWOJIHFEWEW-UHFFFAOYSA-N 0 0 375.255 4.545 50 0 GJAARN CC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000013957549 221294475 /nfs/dbraw/zinc/29/44/75/221294475.db2.gz FYVRPQBPZVXFAL-UHFFFAOYSA-N 0 0 386.407 4.981 50 0 GJAARN COc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(OC)c1 ZINC000014084058 221298694 /nfs/dbraw/zinc/29/86/94/221298694.db2.gz SVPKZTUEZARJLQ-UHFFFAOYSA-N 0 0 386.835 4.584 50 0 GJAARN COc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1Cl ZINC000014120437 221299488 /nfs/dbraw/zinc/29/94/88/221299488.db2.gz UVPPTCYRBIUEKJ-UHFFFAOYSA-N 0 0 376.843 4.639 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000014119920 221300339 /nfs/dbraw/zinc/30/03/39/221300339.db2.gz RJSMJWBKIVPYRX-UHFFFAOYSA-N 0 0 390.283 4.935 50 0 GJAARN CSc1ccc(CN(C)Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)cc1 ZINC000014185988 221302904 /nfs/dbraw/zinc/30/29/04/221302904.db2.gz LHCXXUIZKLLXBY-DHZHZOJOSA-N 0 0 386.546 4.824 50 0 GJAARN CCn1c(-c2ccco2)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S ZINC000014234386 221305227 /nfs/dbraw/zinc/30/52/27/221305227.db2.gz HIPAFWUKWXHSOX-UHFFFAOYSA-N 0 0 396.438 4.802 50 0 GJAARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)CC(=O)Nc1cc(C)ccc1C ZINC000014241662 221305703 /nfs/dbraw/zinc/30/57/03/221305703.db2.gz PULCXIXTDBYPPA-UHFFFAOYSA-N 0 0 384.863 4.722 50 0 GJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)nn2-c2ccccc2)cc1 ZINC000014609831 221313143 /nfs/dbraw/zinc/31/31/43/221313143.db2.gz CGCPJRWGPSDZGM-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCCC3)cnc21 ZINC000014711731 221314250 /nfs/dbraw/zinc/31/42/50/221314250.db2.gz VNWFEXVFYFEXNO-UHFFFAOYSA-N 0 0 383.883 4.518 50 0 GJAARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000014673187 221314325 /nfs/dbraw/zinc/31/43/25/221314325.db2.gz OKLSXRFNIGMPMW-UHFFFAOYSA-N 0 0 382.197 4.769 50 0 GJAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccc(C)cc1)O2 ZINC000014878824 221317072 /nfs/dbraw/zinc/31/70/72/221317072.db2.gz PLBHSPBYJCNBFI-OAQYLSRUSA-N 0 0 385.463 4.598 50 0 GJAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cc(OC)ccc1OC ZINC000015108042 221332679 /nfs/dbraw/zinc/33/26/79/221332679.db2.gz VOIBYWKCNMGXKJ-UHFFFAOYSA-N 0 0 386.835 4.826 50 0 GJAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1cccnc1)CC(=O)N2 ZINC000015107627 221333062 /nfs/dbraw/zinc/33/30/62/221333062.db2.gz MABILELETHAOHT-HNNXBMFYSA-N 0 0 381.432 4.967 50 0 GJAARN COc1ccc(CCn2c(C)cc(C(=O)Cn3cnc4ccccc43)c2C)cc1 ZINC000015315417 221335068 /nfs/dbraw/zinc/33/50/68/221335068.db2.gz WTKZIDXTVJGCSN-UHFFFAOYSA-N 0 0 387.483 4.589 50 0 GJAARN O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1Cl ZINC000015359977 221335132 /nfs/dbraw/zinc/33/51/32/221335132.db2.gz AXASKEVVKTWRRM-LBPRGKRZSA-N 0 0 392.304 4.648 50 0 GJAARN Cc1cccc(C)c1NC(=O)[C@]1(c2cccs2)CC(=O)N1c1ccccc1 ZINC000015413517 221336554 /nfs/dbraw/zinc/33/65/54/221336554.db2.gz QNHOKAYMSASUMN-JOCHJYFZSA-N 0 0 376.481 4.636 50 0 GJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c(C)n1 ZINC000015075759 221330858 /nfs/dbraw/zinc/33/08/58/221330858.db2.gz SFZYQJZLCMJELS-DEOSSOPVSA-N 0 0 388.490 4.980 50 0 GJAARN CCOc1ccc([C@@H](CNC(=O)CC(C)C)c2c[nH]c3ccccc32)cc1OC ZINC000015670780 221338750 /nfs/dbraw/zinc/33/87/50/221338750.db2.gz PNRVLUVFHLZKEB-LJQANCHMSA-N 0 0 394.515 4.869 50 0 GJAARN Nc1c(C(=O)Nc2ccccc2)sc2nc(N3CCCC3)c3c(c12)CCCC3 ZINC000015670972 221338838 /nfs/dbraw/zinc/33/88/38/221338838.db2.gz VSDQQKAJEVOECN-UHFFFAOYSA-N 0 0 392.528 4.610 50 0 GJAARN Cc1ccccc1Cn1cc(CCC(=O)NCc2ccccn2)c2ccccc21 ZINC000015678385 221340067 /nfs/dbraw/zinc/34/00/67/221340067.db2.gz FCSUVWSMWBVHJN-UHFFFAOYSA-N 0 0 383.495 4.642 50 0 GJAARN C[C@H](Oc1ccccc1)c1nc(-c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)no1 ZINC000015729872 221341229 /nfs/dbraw/zinc/34/12/29/221341229.db2.gz FWFZJMTVEMBOSO-AWEZNQCLSA-N 0 0 390.443 4.635 50 0 GJAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1cccc(F)c1 ZINC000015733355 221342440 /nfs/dbraw/zinc/34/24/40/221342440.db2.gz YCVYPODUIISSQV-UHFFFAOYSA-N 0 0 389.386 4.560 50 0 GJAARN Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)Nc3ccc(C(C)C)cc3)c2n1 ZINC000015735894 221343252 /nfs/dbraw/zinc/34/32/52/221343252.db2.gz VUGCXCPHTXRJOK-UHFFFAOYSA-N 0 0 387.487 4.601 50 0 GJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000015825213 221346437 /nfs/dbraw/zinc/34/64/37/221346437.db2.gz MPDWDSJLZOELHU-UHFFFAOYSA-N 0 0 388.475 4.773 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)c(C)c1 ZINC000015825450 221346455 /nfs/dbraw/zinc/34/64/55/221346455.db2.gz UOZZCTIRZXUBQJ-UHFFFAOYSA-N 0 0 385.920 4.932 50 0 GJAARN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C ZINC000015832067 221346503 /nfs/dbraw/zinc/34/65/03/221346503.db2.gz FMVMFLVQIPJANB-QGZVFWFLSA-N 0 0 378.472 4.618 50 0 GJAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832083 221346660 /nfs/dbraw/zinc/34/66/60/221346660.db2.gz OSLCNSLBIUZCCE-LJQANCHMSA-N 0 0 382.435 4.531 50 0 GJAARN Cc1cccc(CSc2nc(=O)n(-c3ccc(Cl)cc3)c3c2CCC3)c1 ZINC000015840485 221347879 /nfs/dbraw/zinc/34/78/79/221347879.db2.gz AFOSAOSZDFLFJT-UHFFFAOYSA-N 0 0 382.916 4.975 50 0 GJAARN Cc1ccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)cc1 ZINC000015840423 221348130 /nfs/dbraw/zinc/34/81/30/221348130.db2.gz SWXVAECAWYYWRH-UHFFFAOYSA-N 0 0 382.916 4.975 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)cc1 ZINC000015863871 221350174 /nfs/dbraw/zinc/35/01/74/221350174.db2.gz XKJZXLDUKFBTIV-UHFFFAOYSA-N 0 0 385.467 4.999 50 0 GJAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ccc(F)c(Cl)c3)ccc21 ZINC000016120404 221357356 /nfs/dbraw/zinc/35/73/56/221357356.db2.gz SJKXMGCAXSLDFS-NSHDSACASA-N 0 0 377.868 4.752 50 0 GJAARN COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000016352216 221360596 /nfs/dbraw/zinc/36/05/96/221360596.db2.gz LHPSNPCQTITLFZ-SFHVURJKSA-N 0 0 399.878 4.744 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccc(F)c(F)c1 ZINC000017178185 221380660 /nfs/dbraw/zinc/38/06/60/221380660.db2.gz BNLRRRLEJSJTLW-UHFFFAOYSA-N 0 0 392.405 4.810 50 0 GJAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)Nc1ccccc1F ZINC000017180039 221381228 /nfs/dbraw/zinc/38/12/28/221381228.db2.gz VAEKCNZOFGIUPU-UHFFFAOYSA-N 0 0 378.816 4.554 50 0 GJAARN CCOc1ccc(N2CCn3c(SCc4ccccc4Cl)nnc32)cc1 ZINC000017307800 221381930 /nfs/dbraw/zinc/38/19/30/221381930.db2.gz TZQZZSQZMOVKAB-UHFFFAOYSA-N 0 0 386.908 4.774 50 0 GJAARN CCCCn1nc(NC(=O)COc2ccccc2)c2cc3ccc(C)cc3nc21 ZINC000017251743 221382271 /nfs/dbraw/zinc/38/22/71/221382271.db2.gz RVNZCQVGYQQEIQ-UHFFFAOYSA-N 0 0 388.471 4.711 50 0 GJAARN Cc1ccc(C)c(CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 ZINC000016756276 221370239 /nfs/dbraw/zinc/37/02/39/221370239.db2.gz MVPZDKIRDGKJGF-UHFFFAOYSA-N 0 0 376.485 4.891 50 0 GJAARN CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 ZINC000016755443 221370914 /nfs/dbraw/zinc/37/09/14/221370914.db2.gz BIHUREMRRTZMNW-UHFFFAOYSA-N 0 0 393.299 4.642 50 0 GJAARN CCCCCNC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000016849210 221371993 /nfs/dbraw/zinc/37/19/93/221371993.db2.gz SKOQWZMTOKPMHA-UHFFFAOYSA-N 0 0 394.928 4.680 50 0 GJAARN CC(=O)c1cccc(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)c1 ZINC000016848767 221372322 /nfs/dbraw/zinc/37/23/22/221372322.db2.gz NNGCTNJFQKAPOJ-UHFFFAOYSA-N 0 0 389.480 4.837 50 0 GJAARN CC(C)c1nnc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000016965906 221374555 /nfs/dbraw/zinc/37/45/55/221374555.db2.gz DRKIAJVEPAVAFL-GQCTYLIASA-N 0 0 375.803 4.986 50 0 GJAARN Cc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052916 221376265 /nfs/dbraw/zinc/37/62/65/221376265.db2.gz SBOHOVSJLYRXGM-UHFFFAOYSA-N 0 0 384.487 4.776 50 0 GJAARN CCc1c(C)sc(NC(=S)NCc2ccc(Cl)cc2)c1C(=O)OC ZINC000017078234 221377467 /nfs/dbraw/zinc/37/74/67/221377467.db2.gz QUARIVGXWZICMJ-UHFFFAOYSA-N 0 0 382.938 4.546 50 0 GJAARN C[C@@H](Oc1ccc2c(c1)CCC2)C1N=NC(=S)N1Cc1ccc(Cl)cc1 ZINC000017078777 221377489 /nfs/dbraw/zinc/37/74/89/221377489.db2.gz ZEFZQGHQKAPPIO-CYBMUJFWSA-N 0 0 385.920 4.897 50 0 GJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1-c1ccccc1 ZINC000019199708 221399248 /nfs/dbraw/zinc/39/92/48/221399248.db2.gz UXGNCOMPAHOFBK-UHFFFAOYSA-N 0 0 392.842 4.944 50 0 GJAARN COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000018457959 221392755 /nfs/dbraw/zinc/39/27/55/221392755.db2.gz AXVGMTASHLXHGZ-ZDUSSCGKSA-N 0 0 385.464 4.652 50 0 GJAARN Cc1ncsc1CN(Cc1nc(Cc2ccccc2)no1)Cc1ccccc1 ZINC000019791444 221454125 /nfs/dbraw/zinc/45/41/25/221454125.db2.gz DKDHMNWOYLDTQG-UHFFFAOYSA-N 0 0 390.512 4.628 50 0 GJAARN CCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)c2ccccc12 ZINC000019943424 221466827 /nfs/dbraw/zinc/46/68/27/221466827.db2.gz OLPJGBJJBFZFJG-UHFFFAOYSA-N 0 0 380.469 4.524 50 0 GJAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c(C)c1 ZINC000020531192 221495182 /nfs/dbraw/zinc/49/51/82/221495182.db2.gz ZDQBSFOXJXFPOM-QHCPKHFHSA-N 0 0 384.479 4.509 50 0 GJAARN FC(F)(F)c1cccc(CN2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000020405008 221485630 /nfs/dbraw/zinc/48/56/30/221485630.db2.gz CJSMZXLYVVXJTJ-UHFFFAOYSA-N 0 0 377.435 4.637 50 0 GJAARN C[C@@]12C[C@@H](NC(=S)N1c1cccc(C(F)(F)F)c1)c1cc(F)ccc1O2 ZINC000020642066 221507211 /nfs/dbraw/zinc/50/72/11/221507211.db2.gz NMOVBBFWEXRTSR-RHSMWYFYSA-N 0 0 382.382 4.779 50 0 GJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Cl)cc2C)cc1 ZINC000021106296 221526207 /nfs/dbraw/zinc/52/62/07/221526207.db2.gz RJJPFIWYMNDKRA-HXUWFJFHSA-N 0 0 379.847 4.823 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NC1CCC(C)CC1 ZINC000020933717 221519082 /nfs/dbraw/zinc/51/90/82/221519082.db2.gz ITYMOWVKZBFDMP-UHFFFAOYSA-N 0 0 376.504 4.588 50 0 GJAARN Oc1ccc(C2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000040040268 132392996 /nfs/dbraw/zinc/39/29/96/132392996.db2.gz LEWHAJBJSVYTJD-UHFFFAOYSA-N 0 0 382.467 4.781 50 0 GJAARN O=C(Nc1ccccc1N1CCCCC1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000057891979 136154012 /nfs/dbraw/zinc/15/40/12/136154012.db2.gz BNTCAPFNIFOLRH-SFHVURJKSA-N 0 0 399.560 4.952 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(C)cc1 ZINC000064459694 136156820 /nfs/dbraw/zinc/15/68/20/136156820.db2.gz XFPGCXUFZPSPLV-AWEZNQCLSA-N 0 0 380.517 4.797 50 0 GJAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000064663359 136157345 /nfs/dbraw/zinc/15/73/45/136157345.db2.gz LMFZZHGKOVAILQ-HXUWFJFHSA-N 0 0 376.431 4.622 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1csc(-c2ccc(N3CCCCC3)nc2)n1 ZINC000065165386 136159731 /nfs/dbraw/zinc/15/97/31/136159731.db2.gz FALQCZAVUGGTKR-UHFFFAOYSA-N 0 0 396.491 4.895 50 0 GJAARN CN(C)c1ccc(-c2cncc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)cc1 ZINC000083854304 136174732 /nfs/dbraw/zinc/17/47/32/136174732.db2.gz LOAYHVYWFYMVGL-UHFFFAOYSA-N 0 0 393.437 4.686 50 0 GJAARN O=C(CCc1ccc2ccccc2c1)NC1CCN(c2cccc(F)c2)CC1 ZINC000089878754 136175776 /nfs/dbraw/zinc/17/57/76/136175776.db2.gz HCKMHYKKLGMOHZ-UHFFFAOYSA-N 0 0 376.475 4.697 50 0 GJAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCCC[C@H]2c2nc[nH]n2)n1 ZINC000095467657 136179373 /nfs/dbraw/zinc/17/93/73/136179373.db2.gz CKBUVAUKAVSGON-INIZCTEOSA-N 0 0 376.489 4.516 50 0 GJAARN Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cn3)C2=O)c1 ZINC000098085953 136188957 /nfs/dbraw/zinc/18/89/57/136188957.db2.gz DVVFOQNTSBRRNH-CPNJWEJPSA-N 0 0 389.842 4.683 50 0 GJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)n3)C2=O)c(C)c1 ZINC000102618382 136190274 /nfs/dbraw/zinc/19/02/74/136190274.db2.gz HPMAEJJNXBJVNO-ZHZULCJRSA-N 0 0 383.451 4.647 50 0 GJAARN Cc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCCCC1=O ZINC000005441788 136194915 /nfs/dbraw/zinc/19/49/15/136194915.db2.gz LUVYEMBENSACHG-UHFFFAOYSA-N 0 0 387.277 4.527 50 0 GJAARN C(=C/c1nc2sc3c(c2c(N2CCOCC2)n1)CCCC3)\c1ccccc1 ZINC000006945285 136195258 /nfs/dbraw/zinc/19/52/58/136195258.db2.gz UIXFHUSBKNBILW-ZHACJKMWSA-N 0 0 377.513 4.577 50 0 GJAARN Clc1ccc(COc2cccc3ccc(N4CCOCC4)nc32)cc1Cl ZINC000008769716 136195758 /nfs/dbraw/zinc/19/57/58/136195758.db2.gz FWAHDIMKGUSWRR-UHFFFAOYSA-N 0 0 389.282 4.957 50 0 GJAARN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2cccc(F)c2)c2ccccc21 ZINC000110570547 136198710 /nfs/dbraw/zinc/19/87/10/136198710.db2.gz AZZXXUGEKOQVPT-SSFSYXPDSA-N 0 0 394.490 4.663 50 0 GJAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000206656551 136199395 /nfs/dbraw/zinc/19/93/95/136199395.db2.gz OWMJQFWLGLHMIW-CYBMUJFWSA-N 0 0 391.302 4.516 50 0 GJAARN CSc1ncc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1-c1ccccc1 ZINC000012620050 136200576 /nfs/dbraw/zinc/20/05/76/136200576.db2.gz KHZNCXIILKZHSW-UHFFFAOYSA-N 0 0 392.528 4.837 50 0 GJAARN Cc1cccc(N2CCN(C(=O)/C=C/c3c(Cl)cccc3Cl)CC2)c1 ZINC000016281344 136202019 /nfs/dbraw/zinc/20/20/19/136202019.db2.gz POTGZCHURSQETE-CMDGGOBGSA-N 0 0 375.299 4.664 50 0 GJAARN Cc1nc(SCc2cc(=O)oc3c(C)c(C)ccc23)n(C[C@@H]2CCCO2)c1C ZINC000021568756 221534734 /nfs/dbraw/zinc/53/47/34/221534734.db2.gz NNWBEVMDNQBORK-SFHVURJKSA-N 0 0 398.528 4.694 50 0 GJAARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 ZINC000021801688 221542066 /nfs/dbraw/zinc/54/20/66/221542066.db2.gz WMQKPQYCJWVWNG-UHFFFAOYSA-N 0 0 375.382 4.630 50 0 GJAARN O=C(COC(=O)c1csc(-c2ccsc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000021839291 221542731 /nfs/dbraw/zinc/54/27/31/221542731.db2.gz SWXRXDPVDVFEPJ-UHFFFAOYSA-N 0 0 387.526 4.814 50 0 GJAARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1SCc1cccs1 ZINC000021873056 221544325 /nfs/dbraw/zinc/54/43/25/221544325.db2.gz ISEQKPGLUOVKHS-OAHLLOKOSA-N 0 0 397.521 4.610 50 0 GJAARN COc1ccc2c(c1)CCCN2C(=O)c1ccccc1SC[C@@H]1CCCO1 ZINC000021975810 221549196 /nfs/dbraw/zinc/54/91/96/221549196.db2.gz CCFZMINRBXOBEW-SFHVURJKSA-N 0 0 383.513 4.559 50 0 GJAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1 ZINC000022481186 221560254 /nfs/dbraw/zinc/56/02/54/221560254.db2.gz AIZQTNFGHUYXED-FQEVSTJZSA-N 0 0 386.499 4.616 50 0 GJAARN COc1ccc(CNC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000022479687 221561049 /nfs/dbraw/zinc/56/10/49/221561049.db2.gz IQCCFPBOUYZXQF-UHFFFAOYSA-N 0 0 379.441 4.887 50 0 GJAARN Cc1c(C(=O)NCCCO[C@@H](C)c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000023022006 221579421 /nfs/dbraw/zinc/57/94/21/221579421.db2.gz NFVBTAPEIWETNM-KRWDZBQOSA-N 0 0 397.906 4.732 50 0 GJAARN O=C(NCc1cc(F)cc(F)c1)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000023305285 221590799 /nfs/dbraw/zinc/59/07/99/221590799.db2.gz YVJXEVXUXRDSFV-UHFFFAOYSA-N 0 0 382.288 4.569 50 0 GJAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCCc1cccs1 ZINC000023314373 221592085 /nfs/dbraw/zinc/59/20/85/221592085.db2.gz RGXQMVZSUZSVEN-UHFFFAOYSA-N 0 0 396.390 4.583 50 0 GJAARN CC(C)Cn1c(SCc2nc(-c3ccco3)no2)nnc1-c1ccccc1F ZINC000024778221 221617811 /nfs/dbraw/zinc/61/78/11/221617811.db2.gz IFKXKIPYAGPUBS-UHFFFAOYSA-N 0 0 399.451 4.676 50 0 GJAARN COc1ccc(CCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC ZINC000025322165 221627927 /nfs/dbraw/zinc/62/79/27/221627927.db2.gz HXSFWVOILOTHHM-UHFFFAOYSA-N 0 0 386.448 4.538 50 0 GJAARN Cc1ccccc1OCC(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028289656 221674186 /nfs/dbraw/zinc/67/41/86/221674186.db2.gz VXFLXJNXJUCACO-UHFFFAOYSA-N 0 0 384.838 4.795 50 0 GJAARN O=C(COc1ccccc1F)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000029013096 221686806 /nfs/dbraw/zinc/68/68/06/221686806.db2.gz MCDJDKKORQYMLH-UHFFFAOYSA-N 0 0 396.365 4.986 50 0 GJAARN CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000030060640 221698574 /nfs/dbraw/zinc/69/85/74/221698574.db2.gz ILXIZAPYQANMCG-AWEZNQCLSA-N 0 0 379.485 4.523 50 0 GJAARN CC(C)c1ccc(-n2nnnc2SCc2cc(F)cc3cccnc32)cc1 ZINC000031617150 221711719 /nfs/dbraw/zinc/71/17/19/221711719.db2.gz FGENCQGEQQRAMD-UHFFFAOYSA-N 0 0 379.464 4.765 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)c1c(C)noc1-c1ccccc1)CCCC2 ZINC000032624562 221724945 /nfs/dbraw/zinc/72/49/45/221724945.db2.gz WLNVPUFIMRMAHJ-UHFFFAOYSA-N 0 0 396.468 4.629 50 0 GJAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCC(OCc2ccccc2)CC1 ZINC000032848147 221740328 /nfs/dbraw/zinc/74/03/28/221740328.db2.gz CUNXRRVAIUVSTJ-UHFFFAOYSA-N 0 0 392.524 4.560 50 0 GJAARN C[C@@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000032870374 221742937 /nfs/dbraw/zinc/74/29/37/221742937.db2.gz IVBQSIDRQDKERB-OAHLLOKOSA-N 0 0 395.890 4.834 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2ccccc2)C2CC2)s1 ZINC000032908752 221746928 /nfs/dbraw/zinc/74/69/28/221746928.db2.gz NFARYIZFTGRQDG-UHFFFAOYSA-N 0 0 380.488 4.991 50 0 GJAARN COc1ccc(Nc2nc(N)c(C(=O)c3ccc(C)cc3C)s2)cc1Cl ZINC000032947761 221755648 /nfs/dbraw/zinc/75/56/48/221755648.db2.gz DAAVZPVVJSAYKN-UHFFFAOYSA-N 0 0 387.892 4.979 50 0 GJAARN CCC(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(C)cc1 ZINC000033036250 221767965 /nfs/dbraw/zinc/76/79/65/221767965.db2.gz OFQDOFVEPWEAMC-UHFFFAOYSA-N 0 0 386.908 4.788 50 0 GJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc4c(c3)CCC4)c2c1 ZINC000033172579 221777788 /nfs/dbraw/zinc/77/77/88/221777788.db2.gz DPQWOBMOXOIQNH-UHFFFAOYSA-N 0 0 388.496 4.639 50 0 GJAARN Cc1cccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)c1 ZINC000033289082 221784331 /nfs/dbraw/zinc/78/43/31/221784331.db2.gz XPBQTZQAGQURKG-UHFFFAOYSA-N 0 0 381.526 4.975 50 0 GJAARN Cc1ccccc1Sc1nccnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000033288964 221784453 /nfs/dbraw/zinc/78/44/53/221784453.db2.gz WUWJVAIBXYABLM-MRXNPFEDSA-N 0 0 395.553 4.906 50 0 GJAARN CCOc1ccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)cc1 ZINC000033300982 221785958 /nfs/dbraw/zinc/78/59/58/221785958.db2.gz OQKYFXWJKDONRN-UHFFFAOYSA-N 0 0 387.530 4.999 50 0 GJAARN Cc1ccc2nc(NC[C@H]3CCCO3)c(-c3noc(-c4ccccc4)n3)cc2c1 ZINC000033318174 221787635 /nfs/dbraw/zinc/78/76/35/221787635.db2.gz LYDHYBRKIFJDIX-GOSISDBHSA-N 0 0 386.455 4.851 50 0 GJAARN O=C(c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1 ZINC000034898936 221808779 /nfs/dbraw/zinc/80/87/79/221808779.db2.gz TZUGGYIBZBVWEM-IBGZPJMESA-N 0 0 387.483 4.641 50 0 GJAARN Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1ccccc1 ZINC000035400728 221820774 /nfs/dbraw/zinc/82/07/74/221820774.db2.gz UFOPIYVNEXFMAC-UHFFFAOYSA-N 0 0 393.490 4.951 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000035481173 221826177 /nfs/dbraw/zinc/82/61/77/221826177.db2.gz WSIDMUJXLAPXNR-UHFFFAOYSA-N 0 0 376.641 4.541 50 0 GJAARN Cc1noc(C)c1C(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(C)c1 ZINC000035671696 221830924 /nfs/dbraw/zinc/83/09/24/221830924.db2.gz OBRIERMCOKKKIH-UHFFFAOYSA-N 0 0 389.411 4.851 50 0 GJAARN CCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)C1CCCC1 ZINC000036106266 221843009 /nfs/dbraw/zinc/84/30/09/221843009.db2.gz GGKRAXNDAFGLER-UHFFFAOYSA-N 0 0 388.533 4.660 50 0 GJAARN COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@@H](C)c2ccccc2)cc1 ZINC000036148822 221844921 /nfs/dbraw/zinc/84/49/21/221844921.db2.gz UZWTYZZJKUDSHZ-INIZCTEOSA-N 0 0 385.460 4.791 50 0 GJAARN COc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248412 221847665 /nfs/dbraw/zinc/84/76/65/221847665.db2.gz YNCNGAMOVOGCNV-UHFFFAOYSA-N 0 0 385.460 4.538 50 0 GJAARN COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246222 221848636 /nfs/dbraw/zinc/84/86/36/221848636.db2.gz QLMAWPYFLYJNAU-UHFFFAOYSA-N 0 0 387.888 4.744 50 0 GJAARN COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c1OC ZINC000036364931 221854927 /nfs/dbraw/zinc/85/49/27/221854927.db2.gz FFTBPQXONDJGNK-OAHLLOKOSA-N 0 0 383.835 4.667 50 0 GJAARN COc1cccc2[nH]c(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc21 ZINC000036370115 221855365 /nfs/dbraw/zinc/85/53/65/221855365.db2.gz HYWOXMAJRBQVLM-UHFFFAOYSA-N 0 0 379.847 4.510 50 0 biogenic GJAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12 ZINC000036613455 221861261 /nfs/dbraw/zinc/86/12/61/221861261.db2.gz ATWSEFUNSZILMX-UHFFFAOYSA-N 0 0 396.494 4.595 50 0 GJAARN Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000038716158 221883703 /nfs/dbraw/zinc/88/37/03/221883703.db2.gz ZCNPTWNWPWZKLN-UHFFFAOYSA-N 0 0 379.485 4.559 50 0 GJAARN CCn1c(Sc2ncnc3sc4c(c32)CCCCC4)nnc1-c1ccco1 ZINC000040023329 221897293 /nfs/dbraw/zinc/89/72/93/221897293.db2.gz JIRPAQTUHVWACV-UHFFFAOYSA-N 0 0 397.529 4.983 50 0 GJAARN O=C(COc1ccc(F)cc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000040023555 221897626 /nfs/dbraw/zinc/89/76/26/221897626.db2.gz ZQZBQMJAFAUJSB-UHFFFAOYSA-N 0 0 385.826 4.560 50 0 GJAARN Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)n(Cc2ccccc2)n1 ZINC000040056933 221898654 /nfs/dbraw/zinc/89/86/54/221898654.db2.gz UQGUNCKUEVWZRG-UHFFFAOYSA-N 0 0 388.496 4.924 50 0 GJAARN CCOc1ccc(-c2nc(CC(=O)N(C)c3nc4ccccc4o3)cs2)cc1 ZINC000040069746 221901846 /nfs/dbraw/zinc/90/18/46/221901846.db2.gz SAWZJQZBNQSAHJ-UHFFFAOYSA-N 0 0 393.468 4.556 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000040146221 221912798 /nfs/dbraw/zinc/91/27/98/221912798.db2.gz PIHMNTONCXGGOI-UHFFFAOYSA-N 0 0 392.459 4.755 50 0 GJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000044790675 221954036 /nfs/dbraw/zinc/95/40/36/221954036.db2.gz DNGLBWDRWZVESE-UHFFFAOYSA-N 0 0 391.298 4.991 50 0 GJAARN Cc1nc(NC(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)sc1C ZINC000056907832 222025993 /nfs/dbraw/zinc/02/59/93/222025993.db2.gz GLUIMCTUQFGSDN-UHFFFAOYSA-N 0 0 385.514 4.925 50 0 GJAARN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)c1c[nH]c2ccccc12 ZINC000057364711 222032064 /nfs/dbraw/zinc/03/20/64/222032064.db2.gz JSSINBPDZPKWFY-HNNXBMFYSA-N 0 0 375.497 4.840 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000057412225 222032357 /nfs/dbraw/zinc/03/23/57/222032357.db2.gz FAPJSBAYIYNQEB-UHFFFAOYSA-N 0 0 385.851 4.780 50 0 GJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000057486800 222033432 /nfs/dbraw/zinc/03/34/32/222033432.db2.gz UBDKFGROWFGEPI-UHFFFAOYSA-N 0 0 386.455 4.769 50 0 GJAARN CN(C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000057487286 222033465 /nfs/dbraw/zinc/03/34/65/222033465.db2.gz YHUOOCHHMFQMBB-UHFFFAOYSA-N 0 0 398.894 4.650 50 0 GJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3F)n2)cc1 ZINC000057486829 222033533 /nfs/dbraw/zinc/03/35/33/222033533.db2.gz KLKPUFUQGNHTHC-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN CCOc1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000049006977 221993650 /nfs/dbraw/zinc/99/36/50/221993650.db2.gz LZZWOGPNNYLEBL-UHFFFAOYSA-N 0 0 397.862 4.522 50 0 GJAARN CC(=O)c1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1 ZINC000049007039 221994411 /nfs/dbraw/zinc/99/44/11/221994411.db2.gz OPWAFPGKUYXMMN-UHFFFAOYSA-N 0 0 395.459 4.525 50 0 GJAARN COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl ZINC000051364574 222007156 /nfs/dbraw/zinc/00/71/56/222007156.db2.gz RLQUEMLASNUNPC-INIZCTEOSA-N 0 0 394.858 4.507 50 0 GJAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cccnc1Nc1cccc(F)c1 ZINC000053395839 222009439 /nfs/dbraw/zinc/00/94/39/222009439.db2.gz KRUDKXXBUFJTCE-AWEZNQCLSA-N 0 0 383.854 4.979 50 0 GJAARN O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@@H]1c1ccsc1 ZINC000053596236 222010750 /nfs/dbraw/zinc/01/07/50/222010750.db2.gz KVNBZYASQKHUIJ-QGZVFWFLSA-N 0 0 387.505 4.733 50 0 GJAARN CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](c2ccncc2)c2ccccc2C)c1 ZINC000055359351 222020252 /nfs/dbraw/zinc/02/02/52/222020252.db2.gz XGYUGWZCVKRJOZ-NRFANRHFSA-N 0 0 393.874 4.521 50 0 GJAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 ZINC000055549707 222022198 /nfs/dbraw/zinc/02/21/98/222022198.db2.gz KHJFAENTGIZOAM-SFHVURJKSA-N 0 0 396.494 4.865 50 0 GJAARN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000055422066 222022904 /nfs/dbraw/zinc/02/29/04/222022904.db2.gz PCJQPDAVEZAIDX-UHFFFAOYSA-N 0 0 394.515 4.890 50 0 GJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccc(C)c2)cc1Cl ZINC000064984206 222092833 /nfs/dbraw/zinc/09/28/33/222092833.db2.gz AOAHNMXGUWRMLO-LJQANCHMSA-N 0 0 393.936 4.963 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989547 222093588 /nfs/dbraw/zinc/09/35/88/222093588.db2.gz IEYCZFYMMBYAHO-UHFFFAOYSA-N 0 0 396.853 4.789 50 0 GJAARN CCOc1ccc(-c2ccnc3c(C(=O)Nc4cc(C)cc(C)c4)cnn32)cc1 ZINC000065026689 222095274 /nfs/dbraw/zinc/09/52/74/222095274.db2.gz LPVOOCPZCHETQG-UHFFFAOYSA-N 0 0 386.455 4.664 50 0 GJAARN CC(=O)Nc1ccc(-c2nc(-c3ccc(-c4csc(C)n4)cc3)no2)cc1 ZINC000065032289 222096559 /nfs/dbraw/zinc/09/65/59/222096559.db2.gz XVBAISFCPMRZSP-UHFFFAOYSA-N 0 0 376.441 4.794 50 0 GJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000065059013 222097445 /nfs/dbraw/zinc/09/74/45/222097445.db2.gz XDEGIFZMBHVLMG-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccccc2)C1 ZINC000065059144 222098589 /nfs/dbraw/zinc/09/85/89/222098589.db2.gz OKRGRGJTMCMLPX-QFIPXVFZSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(F)cc2Cl)cc1C ZINC000065084818 222099389 /nfs/dbraw/zinc/09/93/89/222099389.db2.gz IMBXJAHFVGXGPE-UHFFFAOYSA-N 0 0 384.838 4.767 50 0 GJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000065085225 222099692 /nfs/dbraw/zinc/09/96/92/222099692.db2.gz WOGWMXBSAPYEIO-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN O=C(c1ccc(F)cc1F)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135638 222103574 /nfs/dbraw/zinc/10/35/74/222103574.db2.gz DJTZIDHRNAQFGH-OAHLLOKOSA-N 0 0 397.400 4.581 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccc(C)cc4)n3)C2)s1 ZINC000065148086 222104002 /nfs/dbraw/zinc/10/40/02/222104002.db2.gz IJIWKASTWAZTFR-QGZVFWFLSA-N 0 0 392.528 4.918 50 0 GJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)N[C@H](C)c3ccccc3)C2)cc1 ZINC000065136174 222104037 /nfs/dbraw/zinc/10/40/37/222104037.db2.gz MRHXNWYQFAJHSN-UXHICEINSA-N 0 0 393.531 4.897 50 0 GJAARN CCc1ccc(CNS(=O)(=O)c2cc(-c3csc(C)n3)sc2C)cc1 ZINC000065138161 222104111 /nfs/dbraw/zinc/10/41/11/222104111.db2.gz UCUNDYCVTJJUEX-UHFFFAOYSA-N 0 0 392.571 4.529 50 0 GJAARN CCc1ccccc1NC(=O)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168889 222104400 /nfs/dbraw/zinc/10/44/00/222104400.db2.gz UWOFFTQGXXVFRH-UHFFFAOYSA-N 0 0 392.890 4.950 50 0 GJAARN Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)c(Cl)c1 ZINC000065168982 222104988 /nfs/dbraw/zinc/10/49/88/222104988.db2.gz VMZPSCZBFZHKJY-UHFFFAOYSA-N 0 0 378.863 4.696 50 0 GJAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000065172799 222106130 /nfs/dbraw/zinc/10/61/30/222106130.db2.gz BEYQDNCHEFIVBM-UHFFFAOYSA-N 0 0 398.466 4.963 50 0 GJAARN COc1ccc(NC(=O)c2cccc(-c3nc4cccnc4n3C(C)C)c2)cc1 ZINC000065172724 222106481 /nfs/dbraw/zinc/10/64/81/222106481.db2.gz KADJFKCZJIVTPY-UHFFFAOYSA-N 0 0 386.455 4.940 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)Nc3ccccc3F)s2)c2cccnc21 ZINC000065240881 222114107 /nfs/dbraw/zinc/11/41/07/222114107.db2.gz WWWTXHHKPUCQPI-UHFFFAOYSA-N 0 0 380.448 4.880 50 0 GJAARN O=C(CCc1conc1-c1ccccc1F)NCc1ccc(C(F)(F)F)cc1 ZINC000065213603 222110908 /nfs/dbraw/zinc/11/09/08/222110908.db2.gz QOZXWCVLPROYEY-UHFFFAOYSA-N 0 0 392.352 4.749 50 0 GJAARN O=C(Nc1cccc(-c2nccnc2N2CCCC2)c1)Nc1ccc(F)cc1F ZINC000065213037 222111429 /nfs/dbraw/zinc/11/14/29/222111429.db2.gz LAOLDSWGPUXCTL-UHFFFAOYSA-N 0 0 395.413 4.666 50 0 GJAARN O=c1c2ccccc2nc(SCCCc2nc3ccccc3o2)n1C1CC1 ZINC000058009068 222037717 /nfs/dbraw/zinc/03/77/17/222037717.db2.gz NFCOZRNZWYZJLJ-UHFFFAOYSA-N 0 0 377.469 4.598 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000058131123 222040218 /nfs/dbraw/zinc/04/02/18/222040218.db2.gz DZYREVOWAYBPOT-UHFFFAOYSA-N 0 0 380.875 4.666 50 0 GJAARN COc1ccc(-c2noc(CSCc3c(F)cccc3Cl)n2)c(OC)c1 ZINC000058143378 222041996 /nfs/dbraw/zinc/04/19/96/222041996.db2.gz XPJUKPRNNATDOU-UHFFFAOYSA-N 0 0 394.855 4.980 50 0 GJAARN COc1ccc(NC(=O)CN(C)c2ccc(Oc3ccccc3)cc2)c(OC)c1 ZINC000058161268 222042491 /nfs/dbraw/zinc/04/24/91/222042491.db2.gz CGRMKJDRWXZQAP-UHFFFAOYSA-N 0 0 392.455 4.571 50 0 GJAARN CNC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000058330771 222049067 /nfs/dbraw/zinc/04/90/67/222049067.db2.gz TZSNMMQIQPDVLK-UHFFFAOYSA-N 0 0 394.302 4.718 50 0 GJAARN Cc1noc([C@@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000058404309 222052271 /nfs/dbraw/zinc/05/22/71/222052271.db2.gz JGCVWYYCGKONRR-LLVKDONJSA-N 0 0 375.350 4.555 50 0 GJAARN C[C@@]1(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC1(Cl)Cl ZINC000058419235 222052946 /nfs/dbraw/zinc/05/29/46/222052946.db2.gz BGTBTXCPBMYJKP-KRWDZBQOSA-N 0 0 384.307 4.617 50 0 GJAARN C[C@H](c1nnc(S[C@@H](C)c2cccnc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000059324930 222055525 /nfs/dbraw/zinc/05/55/25/222055525.db2.gz NQECPEWBDKEMKM-KGLIPLIRSA-N 0 0 387.940 4.792 50 0 GJAARN Cc1oc(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)nc1Cn1cccn1 ZINC000065232406 222112992 /nfs/dbraw/zinc/11/29/92/222112992.db2.gz CQYBSIXIGHSSGN-MDWZMJQESA-N 0 0 384.439 4.547 50 0 GJAARN CCCCCNC(=O)c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000064578639 222075241 /nfs/dbraw/zinc/07/52/41/222075241.db2.gz MZCDCWZTHGFXMD-UHFFFAOYSA-N 0 0 379.435 4.995 50 0 GJAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCCC(C)C)c2)ncn1 ZINC000064578431 222075331 /nfs/dbraw/zinc/07/53/31/222075331.db2.gz IQCDHGKLIQXOSV-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 GJAARN Cc1cccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc32)c1C ZINC000064568448 222075644 /nfs/dbraw/zinc/07/56/44/222075644.db2.gz UDIQHTFMRQNFFG-UHFFFAOYSA-N 0 0 377.513 4.784 50 0 GJAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCc1ccccc1F ZINC000064657595 222076623 /nfs/dbraw/zinc/07/66/23/222076623.db2.gz KOESUTSLAZQBFG-UHFFFAOYSA-N 0 0 382.435 4.964 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)n2C)sc1C ZINC000064668299 222077360 /nfs/dbraw/zinc/07/73/60/222077360.db2.gz AQXAXQMUEPVOSU-UHFFFAOYSA-N 0 0 395.937 4.528 50 0 GJAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)o1 ZINC000064664042 222078102 /nfs/dbraw/zinc/07/81/02/222078102.db2.gz XLLVNMFHKXOYDS-UHFFFAOYSA-N 0 0 384.439 4.719 50 0 GJAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)Cc3cccc(Cl)c3)n2)c1 ZINC000064747113 222079189 /nfs/dbraw/zinc/07/91/89/222079189.db2.gz GKNZZKDNAZTHQU-GOSISDBHSA-N 0 0 381.863 4.605 50 0 GJAARN Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747699 222080869 /nfs/dbraw/zinc/08/08/69/222080869.db2.gz AEJUWACMEGSXPG-KRWDZBQOSA-N 0 0 384.386 4.692 50 0 GJAARN COc1c(C(=O)NCc2ccc(Br)cc2)sc2cccc(F)c21 ZINC000064756400 222080880 /nfs/dbraw/zinc/08/08/80/222080880.db2.gz LONPVDSZJOQCAM-UHFFFAOYSA-N 0 0 394.265 4.742 50 0 GJAARN CC(C)Sc1nc2ccc(NS(=O)(=O)Cc3ccccc3F)cc2s1 ZINC000064747848 222080961 /nfs/dbraw/zinc/08/09/61/222080961.db2.gz NFQRPAQTFMPQMH-UHFFFAOYSA-N 0 0 396.534 4.878 50 0 GJAARN COc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064757703 222081001 /nfs/dbraw/zinc/08/10/01/222081001.db2.gz YXGHNLWHKHOFQJ-UHFFFAOYSA-N 0 0 375.400 4.734 50 0 GJAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1CC(=O)Nc1ccccc1 ZINC000064790099 222081554 /nfs/dbraw/zinc/08/15/54/222081554.db2.gz BMJFKUNTTLKECB-UHFFFAOYSA-N 0 0 388.496 4.794 50 0 GJAARN CCOc1ccc(CNC(=O)c2cc3c4c(ccc3Cl)O[C@H](CC)Cn24)cc1 ZINC000064816640 222083116 /nfs/dbraw/zinc/08/31/16/222083116.db2.gz XNWZNQZVTFEOBF-OAHLLOKOSA-N 0 0 398.890 4.794 50 0 GJAARN Cc1ccc(NC(=O)N2CCC([C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000064847747 222084955 /nfs/dbraw/zinc/08/49/55/222084955.db2.gz RCTGMSQFFNMHJE-MRXNPFEDSA-N 0 0 383.467 4.653 50 0 GJAARN O=C(Cc1ccccc1Cl)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000064858666 222085382 /nfs/dbraw/zinc/08/53/82/222085382.db2.gz FNLNDWARTLIPGC-UHFFFAOYSA-N 0 0 391.902 4.617 50 0 biogenic GJAARN C[C@H](C(=O)Nc1ccccc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847905 222085585 /nfs/dbraw/zinc/08/55/85/222085585.db2.gz NKWLUEQKFIBVLH-HNNXBMFYSA-N 0 0 385.895 4.859 50 0 GJAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)Cc2ccc(F)cc2)cc1 ZINC000064887897 222086054 /nfs/dbraw/zinc/08/60/54/222086054.db2.gz HKJSYCVGEZGYGY-UHFFFAOYSA-N 0 0 387.458 4.510 50 0 GJAARN Cc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 ZINC000064949590 222089240 /nfs/dbraw/zinc/08/92/40/222089240.db2.gz OYJCLGBSBTVFCL-UHFFFAOYSA-N 0 0 398.397 4.550 50 0 GJAARN Cc1ccc(CNc2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)cc1 ZINC000064944830 222089808 /nfs/dbraw/zinc/08/98/08/222089808.db2.gz FRXCHJZVJHZMFZ-UHFFFAOYSA-N 0 0 392.528 4.745 50 0 GJAARN COc1cc(NC(=O)N2CCCCC[C@H]2c2cccs2)cc(OC)c1OC ZINC000064984846 222091999 /nfs/dbraw/zinc/09/19/99/222091999.db2.gz RYZSXASXIXQALB-HNNXBMFYSA-N 0 0 390.505 4.923 50 0 GJAARN CCCCOc1ccccc1-c1cc2c(=O)n(Cc3ccc(F)cc3)ccn2n1 ZINC000064977390 222092370 /nfs/dbraw/zinc/09/23/70/222092370.db2.gz SKCJFUGUYRWINZ-UHFFFAOYSA-N 0 0 391.446 4.529 50 0 GJAARN COc1cccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc32)c1 ZINC000065250637 222116343 /nfs/dbraw/zinc/11/63/43/222116343.db2.gz RVTGDJFZAHYHKR-UHFFFAOYSA-N 0 0 375.432 4.864 50 0 GJAARN O=C(c1ccc(Cl)nc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 ZINC000065254907 222118146 /nfs/dbraw/zinc/11/81/46/222118146.db2.gz FWBLDOWVJRWHPA-UHFFFAOYSA-N 0 0 381.888 4.939 50 0 GJAARN Cc1sc2c(ncn(C(C)C)c2=O)c1C(=O)Nc1cccc(Cl)c1C ZINC000065297389 222122156 /nfs/dbraw/zinc/12/21/56/222122156.db2.gz HERCWIZUWIRRJV-UHFFFAOYSA-N 0 0 375.881 4.561 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000065320497 222122828 /nfs/dbraw/zinc/12/28/28/222122828.db2.gz IYMFDGMACCNIIY-RDTXWAMCSA-N 0 0 397.862 4.521 50 0 GJAARN CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000065322262 222123248 /nfs/dbraw/zinc/12/32/48/222123248.db2.gz XJOROYKSQBJMSO-UHFFFAOYSA-N 0 0 376.504 4.855 50 0 GJAARN Cc1cccnc1CCn1cnc(-c2ccccc2)c1-c1cccc2nonc21 ZINC000065455692 222129494 /nfs/dbraw/zinc/12/94/94/222129494.db2.gz NNDGSXBPWALWGJ-UHFFFAOYSA-N 0 0 381.439 4.699 50 0 GJAARN C=Cc1ccc(Cn2c3ccccc3c3nc(-c4cccc(F)c4)nn3c2=O)cc1 ZINC000065502070 222132167 /nfs/dbraw/zinc/13/21/67/222132167.db2.gz HMDDOZHYWWTVJZ-UHFFFAOYSA-N 0 0 396.425 4.542 50 0 GJAARN CN(C)c1nc2sc(C(=O)Nc3ccccc3OC3CCCC3)cc2s1 ZINC000065787372 222135372 /nfs/dbraw/zinc/13/53/72/222135372.db2.gz VGACCYPUXZJSDJ-UHFFFAOYSA-N 0 0 387.530 4.998 50 0 GJAARN CCc1ccccc1NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000065565532 222135662 /nfs/dbraw/zinc/13/56/62/222135662.db2.gz LPZAVJGDSVAHIU-UHFFFAOYSA-N 0 0 381.303 4.972 50 0 GJAARN O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2nccc(-c3ccsc3)c12 ZINC000066091640 222138030 /nfs/dbraw/zinc/13/80/30/222138030.db2.gz DBALIBYCTGZUQP-UHFFFAOYSA-N 0 0 388.374 4.809 50 0 GJAARN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000067142325 222140732 /nfs/dbraw/zinc/14/07/32/222140732.db2.gz MICWABZRHVVJHJ-CYBMUJFWSA-N 0 0 391.368 4.741 50 0 GJAARN O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccc(F)cc1 ZINC000067259247 222142457 /nfs/dbraw/zinc/14/24/57/222142457.db2.gz WFJLKOYPHNIQCB-UHFFFAOYSA-N 0 0 390.483 4.919 50 0 GJAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1 ZINC000067293306 222143098 /nfs/dbraw/zinc/14/30/98/222143098.db2.gz XADQSDDEJYKEHF-FLFQWRMESA-N 0 0 391.814 4.672 50 0 GJAARN O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cc(F)cc(F)c1 ZINC000067296085 222143224 /nfs/dbraw/zinc/14/32/24/222143224.db2.gz XNEBKMWWYMPFHB-NKFKGCMQSA-N 0 0 383.379 4.652 50 0 GJAARN Fc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c(F)c1 ZINC000067262192 222143317 /nfs/dbraw/zinc/14/33/17/222143317.db2.gz OFLFLSBXEORDCM-UHFFFAOYSA-N 0 0 387.393 4.835 50 0 GJAARN CCc1ccccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 ZINC000067290075 222143397 /nfs/dbraw/zinc/14/33/97/222143397.db2.gz MEUCPMLQYPGFBK-UHFFFAOYSA-N 0 0 394.525 4.751 50 0 GJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(C)c2)n1 ZINC000067297811 222145059 /nfs/dbraw/zinc/14/50/59/222145059.db2.gz NVHZCNSDHHOIOX-LCUIJRPUSA-N 0 0 399.450 4.943 50 0 GJAARN Cc1ccc(F)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 ZINC000067298198 222145132 /nfs/dbraw/zinc/14/51/32/222145132.db2.gz GPNWDSXBTJYODZ-NMWGTECJSA-N 0 0 395.415 4.527 50 0 GJAARN Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067296933 222145198 /nfs/dbraw/zinc/14/51/98/222145198.db2.gz LWIBALWSFOEGDW-IZHYLOQSSA-N 0 0 398.418 4.955 50 0 GJAARN c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000067321539 222145597 /nfs/dbraw/zinc/14/55/97/222145597.db2.gz KHSLOHXNPCVGOQ-VGSWGCGISA-N 0 0 390.464 4.762 50 0 GJAARN C[C@H](c1ccncn1)n1cnc(-c2ccccc2)c1-c1cccn1-c1nccs1 ZINC000067642509 222151548 /nfs/dbraw/zinc/15/15/48/222151548.db2.gz OQDMVVHKHOGXJB-MRXNPFEDSA-N 0 0 398.495 4.864 50 0 GJAARN Cc1nc2cc(OCc3cc(C(=O)N(C)[C@H](C)c4ccco4)no3)ccc2s1 ZINC000067678790 222153432 /nfs/dbraw/zinc/15/34/32/222153432.db2.gz RFONZJMWGTVMDK-GFCCVEGCSA-N 0 0 397.456 4.598 50 0 GJAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cnc3ccccc3n1)CCO2 ZINC000067676182 222153845 /nfs/dbraw/zinc/15/38/45/222153845.db2.gz YNHNCPATIBHZRU-UHFFFAOYSA-N 0 0 383.451 4.710 50 0 GJAARN CCc1c[nH]nc1[C@H]1CCCN(C(=O)c2c(C)onc2-c2ccccc2Cl)C1 ZINC000067920096 222166772 /nfs/dbraw/zinc/16/67/72/222166772.db2.gz GGOFTHXXOYJMFF-HNNXBMFYSA-N 0 0 398.894 4.609 50 0 GJAARN O=C(CCC(F)(F)F)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067920292 222167188 /nfs/dbraw/zinc/16/71/88/222167188.db2.gz CSKDZEWNBDPZMU-UHFFFAOYSA-N 0 0 399.796 4.776 50 0 GJAARN CCc1c[nH]nc1[C@@H]1CCCN(C(=O)c2c(C)onc2-c2ccccc2Cl)C1 ZINC000067920094 222167897 /nfs/dbraw/zinc/16/78/97/222167897.db2.gz GGOFTHXXOYJMFF-OAHLLOKOSA-N 0 0 398.894 4.609 50 0 GJAARN Oc1cccc(CN(Cc2sccc2Br)C2CCC(O)CC2)c1 ZINC000068973026 222172584 /nfs/dbraw/zinc/17/25/84/222172584.db2.gz HTKMUIRLOAYPBL-UHFFFAOYSA-N 0 0 396.350 4.522 50 0 GJAARN CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1c(Cl)nc2ccccn12 ZINC000069420316 222173371 /nfs/dbraw/zinc/17/33/71/222173371.db2.gz QAIVQFBFAMEQAJ-VQHVLOKHSA-N 0 0 380.300 4.765 50 0 GJAARN Cc1cccc(-c2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)c(=O)[nH]2)c1 ZINC000069951021 222175217 /nfs/dbraw/zinc/17/52/17/222175217.db2.gz ZJGIPSSROBUUJB-UHFFFAOYSA-N 0 0 387.464 4.726 50 0 GJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N[C@H]1CCc2ccccc21 ZINC000071326755 222181961 /nfs/dbraw/zinc/18/19/61/222181961.db2.gz MRJVCHRWKLVTNN-HNNXBMFYSA-N 0 0 384.892 4.661 50 0 GJAARN Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1 ZINC000071422370 222185080 /nfs/dbraw/zinc/18/50/80/222185080.db2.gz XHCTWYPJVGSJFK-SFHVURJKSA-N 0 0 389.499 4.576 50 0 GJAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000071763822 222195288 /nfs/dbraw/zinc/19/52/88/222195288.db2.gz DAKPZYLYCDMPSO-QGZVFWFLSA-N 0 0 395.453 4.840 50 0 GJAARN CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)n1 ZINC000071785075 222197344 /nfs/dbraw/zinc/19/73/44/222197344.db2.gz AGPNLNWYOUSSOT-XEPISHBBSA-N 0 0 378.516 4.519 50 0 GJAARN Cn1cccc1[C@H]1CCCN1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000071816975 222197643 /nfs/dbraw/zinc/19/76/43/222197643.db2.gz HRYRWWJFGBLQSP-OAQYLSRUSA-N 0 0 381.907 4.990 50 0 GJAARN Cn1cnnc1Sc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1 ZINC000071820616 222197829 /nfs/dbraw/zinc/19/78/29/222197829.db2.gz YPOJZLQEIFOKAY-UHFFFAOYSA-N 0 0 398.557 4.939 50 0 GJAARN CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)Cc1ccsc1 ZINC000071810950 222197990 /nfs/dbraw/zinc/19/79/90/222197990.db2.gz VQQZAQYEJHLWDR-KRWDZBQOSA-N 0 0 383.344 4.850 50 0 GJAARN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000071844192 222199236 /nfs/dbraw/zinc/19/92/36/222199236.db2.gz YECOARUIDYTSBF-QZTJIDSGSA-N 0 0 395.528 4.916 50 0 GJAARN Cc1ccccc1NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000071853609 222200245 /nfs/dbraw/zinc/20/02/45/222200245.db2.gz SGLSBFLEUCRPCI-UHFFFAOYSA-N 0 0 382.895 4.775 50 0 GJAARN Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000072008126 222202900 /nfs/dbraw/zinc/20/29/00/222202900.db2.gz QSJNGANMGJIBIY-MRXNPFEDSA-N 0 0 386.402 4.544 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)C12CCCCC2 ZINC000072400502 222253290 /nfs/dbraw/zinc/25/32/90/222253290.db2.gz FBEPIJCMTHMDHT-UTKZUKDTSA-N 0 0 391.515 4.761 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)C12CCCCC2 ZINC000072400503 222253769 /nfs/dbraw/zinc/25/37/69/222253769.db2.gz FBEPIJCMTHMDHT-UWJYYQICSA-N 0 0 391.515 4.761 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(Cl)c(C)cc2O)[nH]n1 ZINC000072427469 222258864 /nfs/dbraw/zinc/25/88/64/222258864.db2.gz PHATYBHUIQULPE-UHFFFAOYSA-N 0 0 392.242 4.658 50 0 GJAARN Cc1ccc(-c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)n2)cc1 ZINC000085651545 222324583 /nfs/dbraw/zinc/32/45/83/222324583.db2.gz XGWKPXGOAQGPFV-UHFFFAOYSA-N 0 0 387.361 4.911 50 0 GJAARN COc1cc(C(C)=O)ccc1OCCCC(=O)O[C@@H](C(C)(C)C)C(F)(F)F ZINC000089292152 222327431 /nfs/dbraw/zinc/32/74/31/222327431.db2.gz YSZIDLIGSYHRBK-KRWDZBQOSA-N 0 0 390.398 4.577 50 0 GJAARN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN1Cc1cncs1 ZINC000095503179 222336379 /nfs/dbraw/zinc/33/63/79/222336379.db2.gz IXSMNYLIGRAQNZ-FQEVSTJZSA-N 0 0 381.476 4.552 50 0 GJAARN O=C(c1csc(Br)c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000079066557 222302332 /nfs/dbraw/zinc/30/23/32/222302332.db2.gz IFTJFAAXFKZOQF-UONOGXRCSA-N 0 0 384.339 4.655 50 0 GJAARN CO[C@H](C)c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1 ZINC000079110630 222303579 /nfs/dbraw/zinc/30/35/79/222303579.db2.gz XROFCGQMCBLDGT-XGRCMKMKSA-N 0 0 390.487 4.641 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)ccn2)C12CCCC2 ZINC000079484125 222305212 /nfs/dbraw/zinc/30/52/12/222305212.db2.gz HEIYTSXNVQYONC-UWJYYQICSA-N 0 0 391.515 4.679 50 0 GJAARN Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3NC3CC3)c2)cn1 ZINC000084191267 222314114 /nfs/dbraw/zinc/31/41/14/222314114.db2.gz PRWDZAVADCMHGZ-UHFFFAOYSA-N 0 0 391.446 4.935 50 0 GJAARN Cn1c2ccc(Cl)cc2nc1SCC(=O)NC1(c2ccccc2)CCC1 ZINC000084311187 222315326 /nfs/dbraw/zinc/31/53/26/222315326.db2.gz GOHRFNXDEFKCEE-UHFFFAOYSA-N 0 0 385.920 4.514 50 0 GJAARN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(Oc2ccccc2)CC1 ZINC000084553545 222317123 /nfs/dbraw/zinc/31/71/23/222317123.db2.gz OWUTVBCRAAFADW-RTBURBONSA-N 0 0 389.417 4.879 50 0 GJAARN O=c1[nH]nc(SCc2ccc(Cl)cc2Cl)n1-c1cccc(Cl)c1 ZINC000095704526 222359818 /nfs/dbraw/zinc/35/98/18/222359818.db2.gz KFVZRQVFOMXAHX-UHFFFAOYSA-N 0 0 386.691 4.813 50 0 GJAARN Cc1sc(NC(=O)c2csc(-c3cnn(C)c3)n2)nc1-c1ccc(C)cc1 ZINC000095950184 222363142 /nfs/dbraw/zinc/36/31/42/222363142.db2.gz SXMBKFNSQACUCU-UHFFFAOYSA-N 0 0 395.513 4.536 50 0 GJAARN Cc1sc(NC(=O)c2cc(C)nc3c2cnn3C)nc1-c1ccc(Cl)cc1 ZINC000095963544 222364928 /nfs/dbraw/zinc/36/49/28/222364928.db2.gz QOWZTUNYLSPSDS-UHFFFAOYSA-N 0 0 397.891 4.614 50 0 GJAARN C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000095963496 222366119 /nfs/dbraw/zinc/36/61/19/222366119.db2.gz MKRHXCJVRQQFHY-SZNDQCEHSA-N 0 0 385.847 4.593 50 0 GJAARN Cn1cnc(-c2cccc(NCc3ccc(-c4nc5ccccc5s4)o3)c2)n1 ZINC000096009190 222371719 /nfs/dbraw/zinc/37/17/19/222371719.db2.gz VVWMSSUEMURZFY-UHFFFAOYSA-N 0 0 387.468 4.964 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000096119912 222384797 /nfs/dbraw/zinc/38/47/97/222384797.db2.gz PLQDWUGFLVMWIU-UHFFFAOYSA-N 0 0 393.892 4.692 50 0 GJAARN Cc1ccccc1-c1cccc(NC(=O)N(C)CCc2noc(C3CC3)n2)c1 ZINC000096137917 222386540 /nfs/dbraw/zinc/38/65/40/222386540.db2.gz DWGTXQJOIMWPBA-UHFFFAOYSA-N 0 0 376.460 4.629 50 0 GJAARN CC[C@H](NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)c1cc(C)ccn1 ZINC000096167123 222395862 /nfs/dbraw/zinc/39/58/62/222395862.db2.gz WAGDBNXBBONCFL-IBGZPJMESA-N 0 0 380.492 4.792 50 0 GJAARN CC[C@H](C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(F)c1 ZINC000096277438 222407649 /nfs/dbraw/zinc/40/76/49/222407649.db2.gz AKDAEEDUZDKHAQ-INIZCTEOSA-N 0 0 381.451 4.668 50 0 GJAARN O=C(CSCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)cc1 ZINC000097000242 222434708 /nfs/dbraw/zinc/43/47/08/222434708.db2.gz UNWMLLXPWVAEDJ-UHFFFAOYSA-N 0 0 379.934 4.509 50 0 GJAARN Fc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3Cl)C4)n2)cc1 ZINC000097086759 222436704 /nfs/dbraw/zinc/43/67/04/222436704.db2.gz QNEVQFWLELGOER-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN c1sc(CN2CCOCC2)nc1-c1c2ccccc2[nH]c1-c1ccccc1 ZINC000097212560 222442290 /nfs/dbraw/zinc/44/22/90/222442290.db2.gz LSEOJLCHTLBPMM-UHFFFAOYSA-N 0 0 375.497 4.791 50 0 GJAARN CCCCOc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000098086755 222454804 /nfs/dbraw/zinc/45/48/04/222454804.db2.gz NNCBAAAOPYNHPP-UHFFFAOYSA-N 0 0 385.504 4.564 50 0 GJAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(C(=O)c3ccccc3)cc1)n2C ZINC000100812014 222464237 /nfs/dbraw/zinc/46/42/37/222464237.db2.gz JJIOBBKSVUJZJW-WCWDXBQESA-N 0 0 386.476 4.520 50 0 GJAARN Cc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1C ZINC000169759622 222540592 /nfs/dbraw/zinc/54/05/92/222540592.db2.gz PRNDWUKTKMEEBP-HXUWFJFHSA-N 0 0 381.863 4.677 50 0 GJAARN C[C@H]1CC[C@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)O1 ZINC000170608149 222556401 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570262041 /nfs/dbraw/zinc/26/20/41/570262041.db2.gz VZSWYUYWZUCGNB-UHFFFAOYSA-N 0 0 380.879 4.880 50 0 GJAARN O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020494113 570263805 /nfs/dbraw/zinc/26/38/05/570263805.db2.gz JMEBBQZPLRQUCC-UHFFFAOYSA-N 0 0 390.314 4.836 50 0 GJAARN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000012847264 570265175 /nfs/dbraw/zinc/26/51/75/570265175.db2.gz VCBPGZKITUSGEA-JOCHJYFZSA-N 0 0 392.524 4.885 50 0 GJAARN C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1Cl ZINC000012850257 570265868 /nfs/dbraw/zinc/26/58/68/570265868.db2.gz IWRYUSJYMGEHIM-TZMCWYRMSA-N 0 0 391.298 4.762 50 0 GJAARN CC(C)(C)c1ccc(CSCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000012852428 570266511 /nfs/dbraw/zinc/26/65/11/570266511.db2.gz BFXQTARPOYYXBO-UHFFFAOYSA-N 0 0 384.545 4.664 50 0 GJAARN Cc1cccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)n2C)c1 ZINC000012852753 570266581 /nfs/dbraw/zinc/26/65/81/570266581.db2.gz XOOOCEOZFRZODE-UHFFFAOYSA-N 0 0 395.557 4.626 50 0 GJAARN O=C(CCSc1ccccc1)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049430668 570267434 /nfs/dbraw/zinc/26/74/34/570267434.db2.gz KBESIUVRYQKZLW-UHFFFAOYSA-N 0 0 398.553 4.849 50 0 GJAARN CC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000010681110 570268550 /nfs/dbraw/zinc/26/85/50/570268550.db2.gz PVSGZFPQOZATRH-UHFFFAOYSA-N 0 0 388.427 4.727 50 0 GJAARN O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1CCCC[C@@H]1O ZINC000004800354 570270498 /nfs/dbraw/zinc/27/04/98/570270498.db2.gz GHHDPVPWALEOEL-VQTJNVASSA-N 0 0 376.389 4.848 50 0 GJAARN COc1cc(C)c(CSc2nnc(C3CC3)n2-c2ccccc2)cc1OC ZINC000006128798 570272355 /nfs/dbraw/zinc/27/23/55/570272355.db2.gz YCKFAOMXAJGSJH-UHFFFAOYSA-N 0 0 381.501 4.763 50 0 GJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(-c3ccno3)cc2)cc1 ZINC000020616332 570272599 /nfs/dbraw/zinc/27/25/99/570272599.db2.gz KOGQBMRMNYMZPE-UHFFFAOYSA-N 0 0 389.411 4.778 50 0 GJAARN COc1ccc([C@H](C)NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000020616108 570272687 /nfs/dbraw/zinc/27/26/87/570272687.db2.gz RGHPNVBEOSAOAW-AWEZNQCLSA-N 0 0 391.496 4.895 50 0 GJAARN CC1(C)[C@]2(c3ccccc3)[C@@H]3C=C(Br)[C@H](O)[C@H]3[C@]12c1ccccc1 ZINC000254838681 570273964 /nfs/dbraw/zinc/27/39/64/570273964.db2.gz LXXURMUGPWKUQM-GKCFXGPNSA-N 0 0 381.313 4.802 50 0 GJAARN COc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000002137693 570275528 /nfs/dbraw/zinc/27/55/28/570275528.db2.gz PFQVEGZITIEIRH-DEOSSOPVSA-N 0 0 385.467 4.932 50 0 GJAARN C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)c1c[nH]c2ccccc21 ZINC000006140885 570276762 /nfs/dbraw/zinc/27/67/62/570276762.db2.gz ZPAHZZBOPHEHEX-AWEZNQCLSA-N 0 0 392.480 4.915 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1 ZINC000002185069 570277798 /nfs/dbraw/zinc/27/77/98/570277798.db2.gz OKFMAQDWPLOFJO-UHFFFAOYSA-N 0 0 391.254 4.766 50 0 GJAARN O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(-c2cccc(Cl)c2)on1 ZINC000119572725 570279769 /nfs/dbraw/zinc/27/97/69/570279769.db2.gz PYKDIKYQUXQFAH-UHFFFAOYSA-N 0 0 391.210 4.672 50 0 GJAARN Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccccc4F)ccc3C(=O)O2)cc1 ZINC000012274861 570280254 /nfs/dbraw/zinc/28/02/54/570280254.db2.gz CWWXNIPUUOJBCA-NRFANRHFSA-N 0 0 375.399 4.841 50 0 GJAARN CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Br)cc1 ZINC000002358102 570283837 /nfs/dbraw/zinc/28/38/37/570283837.db2.gz GEVDZUJGTLWDTI-OAHLLOKOSA-N 0 0 390.306 4.835 50 0 GJAARN CCOc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)c1 ZINC000002393790 570285654 /nfs/dbraw/zinc/28/56/54/570285654.db2.gz ISLLLNGYULRDCD-UHFFFAOYSA-N 0 0 395.315 4.657 50 0 GJAARN CCn1nc(C(C)C)cc1C(=O)N(Cc1ccc(C)s1)Cc1ccccn1 ZINC000215325719 570287232 /nfs/dbraw/zinc/28/72/32/570287232.db2.gz JXJPMPMYTZWVIU-UHFFFAOYSA-N 0 0 382.533 4.634 50 0 GJAARN COc1cc(SC)c(OC)cc1CN1CCCC[C@H]1c1nc(C(C)C)no1 ZINC000215465819 570289394 /nfs/dbraw/zinc/28/93/94/570289394.db2.gz XDYPUFHGIHLFEA-HNNXBMFYSA-N 0 0 391.537 4.659 50 0 GJAARN CCSc1nnc(-c2cccc(NC(=O)c3cccc4ccccc43)c2)n1C ZINC000000680613 570290710 /nfs/dbraw/zinc/29/07/10/570290710.db2.gz JSMTZRYJXLCNSM-UHFFFAOYSA-N 0 0 388.496 5.000 50 0 GJAARN CSc1cccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2ccccc2)c1 ZINC000000689421 570291364 /nfs/dbraw/zinc/29/13/64/570291364.db2.gz XBNIVWDROWQYGG-XSFVSMFZSA-N 0 0 392.480 4.720 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCc1ccc2ccccc2n1 ZINC000021432284 570291387 /nfs/dbraw/zinc/29/13/87/570291387.db2.gz SUSKRBLNQXTWHU-MRXNPFEDSA-N 0 0 386.451 4.772 50 0 GJAARN COc1cc(NC(=O)C2CCCCC2)c(Br)cc1Br ZINC000002582357 570291541 /nfs/dbraw/zinc/29/15/41/570291541.db2.gz RUNRKBJIXUDFCX-UHFFFAOYSA-N 0 0 391.103 4.739 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccccc2)c1CCC(=O)NCC(C)C ZINC000034672451 570293807 /nfs/dbraw/zinc/29/38/07/570293807.db2.gz DOKBOXQUNNZIRV-UHFFFAOYSA-N 0 0 391.515 4.986 50 0 GJAARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000012919584 570293873 /nfs/dbraw/zinc/29/38/73/570293873.db2.gz OTOUDZYKGMGWDS-CYBMUJFWSA-N 0 0 398.507 4.623 50 0 GJAARN COc1cccc([C@H]2O[C@@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)c1OC ZINC000103030248 570293976 /nfs/dbraw/zinc/29/39/76/570293976.db2.gz VQIZEMZOHPZSDU-GKIWIXTESA-N 0 0 384.472 4.867 50 0 GJAARN COc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1Br ZINC000021719861 570294917 /nfs/dbraw/zinc/29/49/17/570294917.db2.gz FTIHQGYWAQNJQG-MRXNPFEDSA-N 0 0 379.298 4.906 50 0 GJAARN CCOC(=O)Cn1cc(CN2CCC[C@H]2c2cc(C(C)C)on2)c2ccccc21 ZINC000021719825 570294978 /nfs/dbraw/zinc/29/49/78/570294978.db2.gz COSXFYCJZXEVTF-NRFANRHFSA-N 0 0 395.503 4.653 50 0 GJAARN CCCCCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1 ZINC000004828391 570295041 /nfs/dbraw/zinc/29/50/41/570295041.db2.gz KCDLKOQGOBKYMX-UHFFFAOYSA-N 0 0 399.472 4.823 50 0 GJAARN O=C(CCc1ccsc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000021898070 570298551 /nfs/dbraw/zinc/29/85/51/570298551.db2.gz NYWCMXVLZGXLGG-UHFFFAOYSA-N 0 0 387.892 4.575 50 0 GJAARN O=C(CSc1ccc(Br)cc1)N1CC=C(c2ccccc2)CC1 ZINC000015949522 570299582 /nfs/dbraw/zinc/29/95/82/570299582.db2.gz KRXODILYIVUGGS-UHFFFAOYSA-N 0 0 388.330 4.857 50 0 GJAARN CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000002780577 570301069 /nfs/dbraw/zinc/30/10/69/570301069.db2.gz CUXNDQFGQMBBKY-HOCLYGCPSA-N 0 0 381.398 4.844 50 0 GJAARN C[C@@H](NC(=O)CSc1ncnc2ccsc21)c1ccc2c(c1)CCCC2 ZINC000022005155 570301488 /nfs/dbraw/zinc/30/14/88/570301488.db2.gz HETZSUOIUPJKEO-CYBMUJFWSA-N 0 0 383.542 4.540 50 0 GJAARN CCCNC(=O)c1csc(-c2ccccc2OCc2cc(F)cc(F)c2)n1 ZINC000034714350 570302121 /nfs/dbraw/zinc/30/21/21/570302121.db2.gz SHZGORWMDNUNEI-UHFFFAOYSA-N 0 0 388.439 4.807 50 0 GJAARN CC[C@@H](NC(=O)CSc1cccc2cccc(Cl)c21)c1noc(C)n1 ZINC000072309281 570304151 /nfs/dbraw/zinc/30/41/51/570304151.db2.gz WZYSTIZMMSDFBP-CQSZACIVSA-N 0 0 375.881 4.544 50 0 GJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000010819661 570305266 /nfs/dbraw/zinc/30/52/66/570305266.db2.gz UMPJKQJGJKEPIR-UHFFFAOYSA-N 0 0 397.474 4.653 50 0 GJAARN O=c1c2ccccc2nc(SCCOc2ccccc2F)n1-c1ccccc1 ZINC000002830395 570305436 /nfs/dbraw/zinc/30/54/36/570305436.db2.gz LALZIYOZCPAMHP-UHFFFAOYSA-N 0 0 392.455 4.696 50 0 GJAARN Cc1sc2nc(-c3cccs3)nc(Sc3nc4ncccn4n3)c2c1C ZINC000022089278 570305633 /nfs/dbraw/zinc/30/56/33/570305633.db2.gz VTAARPRMDVENJQ-UHFFFAOYSA-N 0 0 396.526 4.626 50 0 GJAARN Cc1cc(OCc2ccc(Br)cc2F)c2c(C)cc(=O)oc2c1 ZINC000002840713 570307105 /nfs/dbraw/zinc/30/71/05/570307105.db2.gz LJHMQWAEPXKOEL-UHFFFAOYSA-N 0 0 377.209 4.890 50 0 GJAARN CC1=C(C)C/S(=N/c2ccc(Cl)cc2)N(S(=O)(=O)c2ccccc2)C1 ZINC000004832818 570308248 /nfs/dbraw/zinc/30/82/48/570308248.db2.gz GJMZRGFFUBFIFJ-UHFFFAOYSA-N 0 0 394.949 4.729 50 0 GJAARN COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccc2Br)c1 ZINC000002848503 570308317 /nfs/dbraw/zinc/30/83/17/570308317.db2.gz LIDDCWBINVRJTB-HXUWFJFHSA-N 0 0 396.284 4.977 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000035292726 570311551 /nfs/dbraw/zinc/31/15/51/570311551.db2.gz SJJYNMSRRBDJBZ-POZUXBRTSA-N 0 0 396.911 4.574 50 0 GJAARN COc1ccccc1CCNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21 ZINC000002867552 570312891 /nfs/dbraw/zinc/31/28/91/570312891.db2.gz TXCYRQIRHLNQQK-UHFFFAOYSA-N 0 0 397.478 4.586 50 0 GJAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3C)C2=O)cc1 ZINC000002869606 570313490 /nfs/dbraw/zinc/31/34/90/570313490.db2.gz CXGIOKJSWREWJV-JCMHNJIXSA-N 0 0 398.462 4.952 50 0 GJAARN Cc1nnc(SCc2nc(-c3ccc(C)cc3)no2)n1-c1cccc(C)c1 ZINC000002873581 570314108 /nfs/dbraw/zinc/31/41/08/570314108.db2.gz BEQWJUGPYZRSMV-UHFFFAOYSA-N 0 0 377.473 4.535 50 0 GJAARN O=C(COc1ccc(Br)cc1Cl)Nc1cccc2c1CCCC2 ZINC000002878398 570315193 /nfs/dbraw/zinc/31/51/93/570315193.db2.gz HHPYOSWBLDWIEB-UHFFFAOYSA-N 0 0 394.696 4.999 50 0 GJAARN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(Br)c1 ZINC000012941894 570315518 /nfs/dbraw/zinc/31/55/18/570315518.db2.gz SHFGWCOZFUIVLD-UHFFFAOYSA-N 0 0 380.311 4.645 50 0 GJAARN CCC1=Nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2Sc2ccc(C)cc21 ZINC000006185480 570316814 /nfs/dbraw/zinc/31/68/14/570316814.db2.gz OZBZTFRTERAWIZ-INIZCTEOSA-N 0 0 380.513 4.899 50 0 GJAARN CN(Cc1c(F)cccc1Cl)C(=O)CSCc1nc2ccccc2s1 ZINC000022441296 570317224 /nfs/dbraw/zinc/31/72/24/570317224.db2.gz PORCVPUFISEOLQ-UHFFFAOYSA-N 0 0 394.924 4.981 50 0 GJAARN O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(CSC(F)F)o1 ZINC000012947143 570317483 /nfs/dbraw/zinc/31/74/83/570317483.db2.gz GUHXOTDCCRREIT-UHFFFAOYSA-N 0 0 394.443 4.660 50 0 GJAARN O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1cc2ccccc2o1 ZINC000022462438 570317602 /nfs/dbraw/zinc/31/76/02/570317602.db2.gz DBWABDRCOGZVAK-UHFFFAOYSA-N 0 0 382.379 4.797 50 0 GJAARN COc1ccccc1CCNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 ZINC000034717176 570320121 /nfs/dbraw/zinc/32/01/21/570320121.db2.gz YUKDQPDROGOPEG-UHFFFAOYSA-N 0 0 396.512 4.578 50 0 GJAARN COc1ccc(NC(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 ZINC000002977747 570321576 /nfs/dbraw/zinc/32/15/76/570321576.db2.gz HDMZUSOJXNRXNP-UHFFFAOYSA-N 0 0 390.465 4.622 50 0 GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000072329023 570326115 /nfs/dbraw/zinc/32/61/15/570326115.db2.gz LZSRTSWUHQCTRT-INIZCTEOSA-N 0 0 393.487 4.755 50 0 GJAARN CC(C)c1ccc(CN2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000022804603 570328976 /nfs/dbraw/zinc/32/89/76/570328976.db2.gz ZUKBRFAXCUODOC-IBGZPJMESA-N 0 0 390.531 4.739 50 0 GJAARN CSc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 ZINC000010865828 570330492 /nfs/dbraw/zinc/33/04/92/570330492.db2.gz UMIFHFGFBPOJQY-UHFFFAOYSA-N 0 0 390.512 4.793 50 0 GJAARN CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc2cc(OC)ccc2c1 ZINC000003178190 570330508 /nfs/dbraw/zinc/33/05/08/570330508.db2.gz QDRQXBHEWHGCIH-UHFFFAOYSA-N 0 0 383.469 4.901 50 0 GJAARN Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(C(=O)C(C)C)[C@@H](C)C1)=N2 ZINC000034813773 570334831 /nfs/dbraw/zinc/33/48/31/570334831.db2.gz OYDXAPQYWVYSTR-SFHVURJKSA-N 0 0 391.515 4.676 50 0 GJAARN CCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000003276780 570335400 /nfs/dbraw/zinc/33/54/00/570335400.db2.gz FCSYXBYCCWBYSU-UHFFFAOYSA-N 0 0 389.908 4.587 50 0 GJAARN CC(C)[C@H](C)NC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833453 570335413 /nfs/dbraw/zinc/33/54/13/570335413.db2.gz SNINQNXJKOILQR-AWEZNQCLSA-N 0 0 382.483 4.607 50 0 GJAARN FC(F)(F)c1cccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000007449861 570335480 /nfs/dbraw/zinc/33/54/80/570335480.db2.gz WSYIKVIZVOMSLK-UHFFFAOYSA-N 0 0 387.405 4.683 50 0 GJAARN CC(C)[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831682 570335533 /nfs/dbraw/zinc/33/55/33/570335533.db2.gz YBRNAAXEWCIIEO-QGZVFWFLSA-N 0 0 384.483 4.838 50 0 GJAARN CC[C@H](C(=O)Nc1c(-c2ccc3c(c2)OCO3)n[nH]c1C1CC1)c1ccccc1 ZINC000034794548 570336893 /nfs/dbraw/zinc/33/68/93/570336893.db2.gz ISWPFPORHQQWLX-KRWDZBQOSA-N 0 0 389.455 4.815 50 0 GJAARN COc1cccc(CC(=O)Nc2c(-c3ccc(C)cc3C)n[nH]c2C2CC2)c1 ZINC000034794878 570336900 /nfs/dbraw/zinc/33/69/00/570336900.db2.gz PXFAZVUKXXMACU-UHFFFAOYSA-N 0 0 375.472 4.761 50 0 GJAARN CCCc1[nH]nc(CCc2ccc(OC)cc2)c1NC(=O)c1ccc(F)cc1 ZINC000034795213 570337459 /nfs/dbraw/zinc/33/74/59/570337459.db2.gz UWPDWCQLOQFFJJ-UHFFFAOYSA-N 0 0 381.451 4.547 50 0 GJAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccc(F)cc2F)c(OC)c1 ZINC000034796054 570337869 /nfs/dbraw/zinc/33/78/69/570337869.db2.gz VJYQHAWCHJJEPH-UHFFFAOYSA-N 0 0 399.397 4.502 50 0 GJAARN C[S@](=O)c1ccc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000053726138 570338905 /nfs/dbraw/zinc/33/89/05/570338905.db2.gz GLGJLIFAASEXKX-SKCUWOTOSA-N 0 0 389.476 4.690 50 0 GJAARN CC(C)CCNC(=O)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906706 570339262 /nfs/dbraw/zinc/33/92/62/570339262.db2.gz RKUNNRLCGYNKEL-SFHVURJKSA-N 0 0 382.552 4.530 50 0 GJAARN Cc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(Cl)cc1 ZINC000034907554 570339848 /nfs/dbraw/zinc/33/98/48/570339848.db2.gz KKIBCYWVEAKKCE-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 ZINC000010880883 570340251 /nfs/dbraw/zinc/34/02/51/570340251.db2.gz LGHWQFRWBFCHBO-UHFFFAOYSA-N 0 0 399.472 4.680 50 0 GJAARN Cc1ccc(NC(=O)c2nc(CCc3ccccc3)n(-c3ccccc3C)n2)cc1 ZINC000034911835 570341205 /nfs/dbraw/zinc/34/12/05/570341205.db2.gz KKVVPDZZKKURSI-UHFFFAOYSA-N 0 0 396.494 4.922 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc2c(c1)OCO2 ZINC000006216779 570342651 /nfs/dbraw/zinc/34/26/51/570342651.db2.gz FAHJOHPGDWICHB-UHFFFAOYSA-N 0 0 378.453 4.670 50 0 GJAARN COc1cccc(-c2nc(C(=O)Nc3nc4ccccc4s3)cs2)c1OC ZINC000023078662 570343159 /nfs/dbraw/zinc/34/31/59/570343159.db2.gz YHQFFFJKQPKNGA-UHFFFAOYSA-N 0 0 397.481 4.689 50 0 GJAARN O=C(Nc1ccccc1F)N[C@@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000032949050 570344326 /nfs/dbraw/zinc/34/43/26/570344326.db2.gz NOJDWJDVIQVRAC-SFHVURJKSA-N 0 0 392.430 4.530 50 0 GJAARN Cn1cc([C@@H](CC(=O)NCc2ccncc2)c2ccc(F)cc2)c2ccccc21 ZINC000035371538 570344965 /nfs/dbraw/zinc/34/49/65/570344965.db2.gz PULXOPUFFMIIFK-NRFANRHFSA-N 0 0 387.458 4.551 50 0 GJAARN CCCCCCc1ccc(C(=O)N2CCSc3nnc(-c4ccco4)n32)cc1 ZINC000034927725 570346020 /nfs/dbraw/zinc/34/60/20/570346020.db2.gz UVXKSZODYTVAMY-UHFFFAOYSA-N 0 0 396.516 4.545 50 0 GJAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1 ZINC000003515707 570347820 /nfs/dbraw/zinc/34/78/20/570347820.db2.gz NGNDGYXJTUAKSC-JTQLQIEISA-N 0 0 399.082 4.618 50 0 GJAARN CCOc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OCC ZINC000006249709 570348332 /nfs/dbraw/zinc/34/83/32/570348332.db2.gz STKLSHBWRZVILH-UHFFFAOYSA-N 0 0 382.382 4.553 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1 ZINC000004854299 570348782 /nfs/dbraw/zinc/34/87/82/570348782.db2.gz IPJRBWTZZFPERU-OAQYLSRUSA-N 0 0 379.435 4.663 50 0 GJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 ZINC000004854296 570348811 /nfs/dbraw/zinc/34/88/11/570348811.db2.gz IPJRBWTZZFPERU-NRFANRHFSA-N 0 0 379.435 4.663 50 0 GJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)nn2)cc1 ZINC000035398065 570349309 /nfs/dbraw/zinc/34/93/09/570349309.db2.gz HWWUTPSWVVWDJC-HXUWFJFHSA-N 0 0 392.547 4.507 50 0 GJAARN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004860428 570349829 /nfs/dbraw/zinc/34/98/29/570349829.db2.gz YMSRCUDXNVLVQS-OAQYLSRUSA-N 0 0 396.899 4.880 50 0 GJAARN O=C(Cc1cccs1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000035399555 570350543 /nfs/dbraw/zinc/35/05/43/570350543.db2.gz JBALXSCWDSHWKV-UHFFFAOYSA-N 0 0 397.931 4.678 50 0 biogenic GJAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1OC ZINC000004866698 570350943 /nfs/dbraw/zinc/35/09/43/570350943.db2.gz DHSNFKSCDGDCQV-UHFFFAOYSA-N 0 0 392.386 4.903 50 0 GJAARN Cc1nc(NC(=O)CSc2nc3ccccc3[nH]2)sc1-c1ccccc1 ZINC000004864130 570350958 /nfs/dbraw/zinc/35/09/58/570350958.db2.gz XNUMHBYBZUUNGP-UHFFFAOYSA-N 0 0 380.498 4.726 50 0 GJAARN COc1ccc(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1 ZINC000004871126 570352304 /nfs/dbraw/zinc/35/23/04/570352304.db2.gz PJJRJZPTGFTEPT-UHFFFAOYSA-N 0 0 378.808 4.742 50 0 GJAARN COc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000004870947 570352450 /nfs/dbraw/zinc/35/24/50/570352450.db2.gz XFWURRJRODEWOG-HSZRJFAPSA-N 0 0 399.425 4.974 50 0 GJAARN O=C1N/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000003864166 570352632 /nfs/dbraw/zinc/35/26/32/570352632.db2.gz ZWBRASPYTHXADG-LDADJPATSA-N 0 0 378.815 4.693 50 0 GJAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(Br)cc1)c1cc(Cl)ccc1O2 ZINC000004877642 570353461 /nfs/dbraw/zinc/35/34/61/570353461.db2.gz CITQBOJBIPKRNU-RHSMWYFYSA-N 0 0 393.668 4.872 50 0 GJAARN Clc1ccc(N2CCN(C/C(Br)=C/c3ccccc3)CC2)cc1 ZINC000023281175 570353879 /nfs/dbraw/zinc/35/38/79/570353879.db2.gz MLXKPCTZWYCRMI-VKAVYKQESA-N 0 0 391.740 4.898 50 0 GJAARN Cc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)cc1F ZINC000004885646 570355169 /nfs/dbraw/zinc/35/51/69/570355169.db2.gz CCLWBWWMUVWDAE-UHFFFAOYSA-N 0 0 397.413 4.700 50 0 GJAARN COc1ccc(CNC(=O)c2cc3cc4ccc(C)cc4nc3s2)c(OC)c1 ZINC000004886242 570355181 /nfs/dbraw/zinc/35/51/81/570355181.db2.gz MATKWBSTFQOIHX-UHFFFAOYSA-N 0 0 392.480 4.705 50 0 GJAARN C[C@H]1CCc2c(sc3[nH]c(-c4cc5ccccc5oc4=O)nc(=S)c23)C1 ZINC000575616648 570357172 /nfs/dbraw/zinc/35/71/72/570357172.db2.gz VUBIXRNCHUSZAD-JTQLQIEISA-N 0 0 380.494 4.878 50 0 GJAARN Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000575616539 570357336 /nfs/dbraw/zinc/35/73/36/570357336.db2.gz JXJCTCJOHAYTFI-QGZVFWFLSA-N 0 0 388.496 4.555 50 0 GJAARN O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1c1ccc(F)cc1 ZINC000008156674 570360058 /nfs/dbraw/zinc/36/00/58/570360058.db2.gz YKNLUDYBRPNKJE-QFIPXVFZSA-N 0 0 384.414 4.783 50 0 GJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004176796 570361274 /nfs/dbraw/zinc/36/12/74/570361274.db2.gz KPFUWROQPLANME-HXUWFJFHSA-N 0 0 396.537 4.905 50 0 aggregator GJAARN COc1ccc2nc3oc(C(=O)NCCc4ccc(Cl)cc4)cc3cc2c1 ZINC000004907642 570361412 /nfs/dbraw/zinc/36/14/12/570361412.db2.gz DSTHFDJKXSDOSY-UHFFFAOYSA-N 0 0 380.831 4.616 50 0 GJAARN COc1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1 ZINC000004909937 570362035 /nfs/dbraw/zinc/36/20/35/570362035.db2.gz RUJBCBAILWFAEB-UHFFFAOYSA-N 0 0 383.451 4.917 50 0 aggregator GJAARN C[C@@H](C(=O)NCc1cccnc1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000004909364 570362164 /nfs/dbraw/zinc/36/21/64/570362164.db2.gz JXVCLXYWHNYZFA-HNNXBMFYSA-N 0 0 390.874 4.629 50 0 GJAARN Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c2ccccc12 ZINC000004191048 570362301 /nfs/dbraw/zinc/36/23/01/570362301.db2.gz LIGSUMHVGDTTIZ-UHFFFAOYSA-N 0 0 382.876 4.575 50 0 GJAARN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)CCCCCn1cccc1 ZINC000604419203 570363056 /nfs/dbraw/zinc/36/30/56/570363056.db2.gz LKEUUDOUOXKUQM-OAQYLSRUSA-N 0 0 378.520 4.689 50 0 GJAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O ZINC000004910744 570363084 /nfs/dbraw/zinc/36/30/84/570363084.db2.gz LOTLNWBRCGFOJO-INIZCTEOSA-N 0 0 381.907 4.852 50 0 GJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000004910855 570363225 /nfs/dbraw/zinc/36/32/25/570363225.db2.gz NVKMYWAWBKWNPA-SFHVURJKSA-N 0 0 391.515 4.538 50 0 GJAARN Cc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1C ZINC000004915454 570364444 /nfs/dbraw/zinc/36/44/44/570364444.db2.gz OIIHQUMXAKRCCC-HSZRJFAPSA-N 0 0 386.451 4.799 50 0 GJAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccccc3F)C(=O)C3CCCC3)C2)cc1 ZINC000035473538 570365525 /nfs/dbraw/zinc/36/55/25/570365525.db2.gz IMIOQGFJZHMOIE-OAQYLSRUSA-N 0 0 394.490 4.846 50 0 GJAARN O=C(NCCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 ZINC000004919336 570366007 /nfs/dbraw/zinc/36/60/07/570366007.db2.gz REWZXCZCQRLMDJ-UHFFFAOYSA-N 0 0 389.886 4.711 50 0 GJAARN Cc1[nH]c2ccccc2c1CCN(Cc1ccccn1)C(=S)NC(C)(C)C ZINC000004920488 570366336 /nfs/dbraw/zinc/36/63/36/570366336.db2.gz QMLISLQXDZXHNE-UHFFFAOYSA-N 0 0 380.561 4.589 50 0 GJAARN COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)c2cccs2)cc1 ZINC000004335042 570369117 /nfs/dbraw/zinc/36/91/17/570369117.db2.gz AZXOSZOXKFBQGD-SIKLNZKXSA-N 0 0 388.492 4.921 50 0 GJAARN COc1ccccc1NC(=O)CSc1c2ccccc2nc2c1CCCC2 ZINC000004922060 570369873 /nfs/dbraw/zinc/36/98/73/570369873.db2.gz GLMAFSXBMAFUHB-UHFFFAOYSA-N 0 0 378.497 4.853 50 0 GJAARN O=C(NCCSCc1ccco1)Nc1ccc(OCc2ccccc2)cc1 ZINC000004364694 570371067 /nfs/dbraw/zinc/37/10/67/570371067.db2.gz OVEXWUNJKQEGOV-UHFFFAOYSA-N 0 0 382.485 4.914 50 0 GJAARN COc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000004930917 570372736 /nfs/dbraw/zinc/37/27/36/570372736.db2.gz PBPMJMCPZXFZJJ-UHFFFAOYSA-N 0 0 381.432 4.771 50 0 GJAARN COc1ccc(CCNC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000004423377 570374751 /nfs/dbraw/zinc/37/47/51/570374751.db2.gz WBICELHIMHQUHH-UHFFFAOYSA-N 0 0 388.492 4.944 50 0 GJAARN CCn1c(=O)c2cc(C(=O)NCc3cccc(Cl)c3)sc2c2ccccc21 ZINC000004939207 570375351 /nfs/dbraw/zinc/37/53/51/570375351.db2.gz DYKKZHPLIGYJCD-UHFFFAOYSA-N 0 0 396.899 4.820 50 0 GJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1ccc(C)cc1 ZINC000004937005 570376035 /nfs/dbraw/zinc/37/60/35/570376035.db2.gz ZUZMGDROFSANBP-UHFFFAOYSA-N 0 0 397.474 4.906 50 0 GJAARN Cc1ccc2oc(=O)c3cc(C(=O)NCc4ccc(Cl)cc4)sc3c2c1 ZINC000004939633 570376038 /nfs/dbraw/zinc/37/60/38/570376038.db2.gz KJMNBOUSSYXAFS-UHFFFAOYSA-N 0 0 383.856 4.900 50 0 GJAARN OCc1cnc(SCc2cccc(C(F)(F)F)c2)n1Cc1ccccc1F ZINC000035499962 570377131 /nfs/dbraw/zinc/37/71/31/570377131.db2.gz WIYIJDJGDMFPMP-UHFFFAOYSA-N 0 0 396.409 4.874 50 0 GJAARN COc1cc(Br)c(CN[C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000022787054 570377221 /nfs/dbraw/zinc/37/72/21/570377221.db2.gz VMCYJYPRBJFYFX-JTQLQIEISA-N 0 0 386.236 4.595 50 0 GJAARN CCOC(=O)N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)CC1 ZINC000024042983 570377695 /nfs/dbraw/zinc/37/76/95/570377695.db2.gz RRHHENWRPNGYMQ-UHFFFAOYSA-N 0 0 387.863 4.781 50 0 GJAARN CCCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000010937396 570377817 /nfs/dbraw/zinc/37/78/17/570377817.db2.gz LDTPAGGDQQOYJY-UHFFFAOYSA-N 0 0 379.485 4.529 50 0 GJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004943689 570379148 /nfs/dbraw/zinc/37/91/48/570379148.db2.gz ZILUQESPWUKRTC-UHFFFAOYSA-N 0 0 385.895 4.565 50 0 GJAARN CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@H](c1ccco1)c1ccccc1 ZINC000220059767 570381069 /nfs/dbraw/zinc/38/10/69/570381069.db2.gz VQTDICQQHMZMHE-FQEVSTJZSA-N 0 0 387.439 4.510 50 0 GJAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024221142 570381230 /nfs/dbraw/zinc/38/12/30/570381230.db2.gz ZWHQHPWLFIWEEE-HUUCEWRRSA-N 0 0 380.469 4.938 50 0 GJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NCc1ccc(F)cc1 ZINC000090593318 570381304 /nfs/dbraw/zinc/38/13/04/570381304.db2.gz CITVHIFYWKEZES-UHFFFAOYSA-N 0 0 389.883 4.910 50 0 GJAARN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2)n1 ZINC000061134881 570381991 /nfs/dbraw/zinc/38/19/91/570381991.db2.gz VGOCBWQZXYUJLN-HXUWFJFHSA-N 0 0 395.503 4.654 50 0 GJAARN CC(=O)c1cccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)c1 ZINC000004960634 570382357 /nfs/dbraw/zinc/38/23/57/570382357.db2.gz KXCSCFAAGFIOCL-HXUWFJFHSA-N 0 0 377.831 4.709 50 0 GJAARN CC(C)OC(=O)c1c(NC(=O)/C=C\c2ccc(F)cc2)sc2c1CCCC2 ZINC000033597792 570382362 /nfs/dbraw/zinc/38/23/62/570382362.db2.gz YIFYDDKJVDKXGT-XFXZXTDPSA-N 0 0 387.476 4.983 50 0 GJAARN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1Cl ZINC000024364486 570382901 /nfs/dbraw/zinc/38/29/01/570382901.db2.gz JVFQLHFJANPFHZ-CQSZACIVSA-N 0 0 386.879 4.671 50 0 GJAARN Cc1cc(/C=C/C(=O)N(C)Cc2ccsc2)c(C)n1-c1ccnn1C(C)C ZINC000031492495 570383690 /nfs/dbraw/zinc/38/36/90/570383690.db2.gz RHVOCKQDUHMDMU-VOTSOKGWSA-N 0 0 382.533 4.605 50 0 GJAARN CCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000004590838 570385875 /nfs/dbraw/zinc/38/58/75/570385875.db2.gz XUKZXYICKPFHFJ-UHFFFAOYSA-N 0 0 383.300 4.909 50 0 GJAARN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000004593169 570386519 /nfs/dbraw/zinc/38/65/19/570386519.db2.gz XWVARADXLLMZLV-QXUMQBBKSA-N 0 0 381.884 4.803 50 0 GJAARN Fc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1 ZINC000004598319 570386684 /nfs/dbraw/zinc/38/66/84/570386684.db2.gz XVMWYPXANHPGBF-UHFFFAOYSA-N 0 0 379.247 4.749 50 0 GJAARN Cc1ccc2nsnc2c1NC(=O)c1cc(Br)ccc1Cl ZINC000004614674 570388078 /nfs/dbraw/zinc/38/80/78/570388078.db2.gz XUQSKMSBMKWEDI-UHFFFAOYSA-N 0 0 382.670 4.668 50 0 GJAARN O=C(COc1ccc(Br)cc1Cl)NC12CC3CC(CC(C3)C1)C2 ZINC000004616829 570388081 /nfs/dbraw/zinc/38/80/81/570388081.db2.gz WHNDBRKAQGVHSV-UHFFFAOYSA-N 0 0 398.728 4.566 50 0 GJAARN O=C(NCCC(c1ccccc1)c1ccccc1)N(Cc1ccccn1)C1CC1 ZINC000024638147 570388523 /nfs/dbraw/zinc/38/85/23/570388523.db2.gz YSAVNVFVMLQBAY-UHFFFAOYSA-N 0 0 385.511 4.978 50 0 GJAARN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1cccc(Cl)n1 ZINC000122660809 570388623 /nfs/dbraw/zinc/38/86/23/570388623.db2.gz BCOODCRNIWQYFB-CQSZACIVSA-N 0 0 381.307 4.527 50 0 GJAARN C[C@@H]1CC[C@@H](C)N(c2ncnc3c4cc5c(nc4sc32)CC(C)(C)OC5)C1 ZINC000004981044 570389263 /nfs/dbraw/zinc/38/92/63/570389263.db2.gz QZBZBJLSWBHMRZ-CHWSQXEVSA-N 0 0 382.533 4.716 50 0 GJAARN O=c1[nH]nc(-c2ccccc2)c2c1nn(-c1ccc(F)cc1)c2-c1ccccc1 ZINC000004649593 570389419 /nfs/dbraw/zinc/38/94/19/570389419.db2.gz SNRFDHZGBXLEAH-UHFFFAOYSA-N 0 0 382.398 4.582 50 0 GJAARN Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000035515025 570389586 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/nfs/dbraw/zinc/42/42/80/570424280.db2.gz NMQYVAKKJBKJJT-UHFFFAOYSA-N 0 0 382.872 4.857 50 0 GJAARN CC(C)c1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2n1 ZINC000026390703 570425331 /nfs/dbraw/zinc/42/53/31/570425331.db2.gz JQSNRUBHFGOUIQ-QGZVFWFLSA-N 0 0 399.498 4.772 50 0 GJAARN Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)N3CCCCCC3)c2c1 ZINC000005048402 570426092 /nfs/dbraw/zinc/42/60/92/570426092.db2.gz OUNOUDKDBHTYFM-UHFFFAOYSA-N 0 0 388.467 4.955 50 0 GJAARN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000005052518 570426558 /nfs/dbraw/zinc/42/65/58/570426558.db2.gz ZHWAUXMYESRGQM-BKUYFWCQSA-N 0 0 391.373 4.888 50 0 GJAARN C[C@@H](CNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)c1ccccc1 ZINC000005144553 570426576 /nfs/dbraw/zinc/42/65/76/570426576.db2.gz SNAJQWVUFGNOLG-INIZCTEOSA-N 0 0 379.529 4.820 50 0 GJAARN O=C(NCc1cccc(Cl)c1)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000005144442 570426610 /nfs/dbraw/zinc/42/66/10/570426610.db2.gz DQDREHCSHCLLDG-UHFFFAOYSA-N 0 0 385.920 4.870 50 0 GJAARN COc1cccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)c1 ZINC000005146502 570427060 /nfs/dbraw/zinc/42/70/60/570427060.db2.gz IDKBWSPKDYKKMJ-UHFFFAOYSA-N 0 0 397.887 4.906 50 0 GJAARN COc1ccc(-c2cn3c(CC(=O)Nc4ccc(Cl)cc4)csc3n2)cc1 ZINC000005146877 570427106 /nfs/dbraw/zinc/42/71/06/570427106.db2.gz UASIGYCEBSSIDD-UHFFFAOYSA-N 0 0 397.887 4.906 50 0 GJAARN CCc1ccc(NC(=O)Cc2csc3nc(-c4ccc(OC)cc4)cn23)cc1 ZINC000005146865 570427119 /nfs/dbraw/zinc/42/71/19/570427119.db2.gz FNGCDLHPXYVTPO-UHFFFAOYSA-N 0 0 391.496 4.815 50 0 GJAARN Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)c(F)c4)csc3n2)cc1 ZINC000005147127 570427138 /nfs/dbraw/zinc/42/71/38/570427138.db2.gz JLPKRAUZBMRCCU-UHFFFAOYSA-N 0 0 383.423 4.831 50 0 GJAARN Cc1ccc(CNC(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000032951395 570427237 /nfs/dbraw/zinc/42/72/37/570427237.db2.gz XAKCRRDGWXPAGV-UHFFFAOYSA-N 0 0 384.483 4.511 50 0 GJAARN CCOc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 ZINC000005147328 570427311 /nfs/dbraw/zinc/42/73/11/570427311.db2.gz MKLRVOLSEZIZOE-UHFFFAOYSA-N 0 0 395.459 4.782 50 0 GJAARN COc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)C(C)C ZINC000005064722 570427854 /nfs/dbraw/zinc/42/78/54/570427854.db2.gz FCSZHQINIQDDGW-UHFFFAOYSA-N 0 0 384.520 4.835 50 0 GJAARN CC(C)n1c2ccccc2nc1C(=O)C(N)c1nc2ccccc2n1C(C)C ZINC000100672872 570427926 /nfs/dbraw/zinc/42/79/26/570427926.db2.gz IUYQCGOIGODILY-VXPUYCOJSA-N 0 0 375.476 4.890 50 0 GJAARN CCOc1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)NC2=S)cc1 ZINC000005068849 570428079 /nfs/dbraw/zinc/42/80/79/570428079.db2.gz CCDZKSWJXQGGLB-YBEGLDIGSA-N 0 0 393.295 4.654 50 0 GJAARN COc1cc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c(C=O)cc1C=O ZINC000005073361 570428141 /nfs/dbraw/zinc/42/81/41/570428141.db2.gz NNAJOFALWMPKPI-QFIPXVFZSA-N 0 0 384.435 4.676 50 0 GJAARN COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Nc1ccccc1C ZINC000005077553 570428388 /nfs/dbraw/zinc/42/83/88/570428388.db2.gz PHSFHDZJUMDKQY-UHFFFAOYSA-N 0 0 390.439 4.517 50 0 GJAARN COc1ccc(-c2c(N)n(-c3ccccc3)nc2Cc2ccccc2)cc1OC ZINC000005073850 570428390 /nfs/dbraw/zinc/42/83/90/570428390.db2.gz KOIOCRKAXPEEET-UHFFFAOYSA-N 0 0 385.467 4.730 50 0 GJAARN Cc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC000026769400 570428704 /nfs/dbraw/zinc/42/87/04/570428704.db2.gz YSRUAFLETORYCJ-UHFFFAOYSA-N 0 0 375.833 4.603 50 0 GJAARN CCOc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 ZINC000038486791 570430575 /nfs/dbraw/zinc/43/05/75/570430575.db2.gz KERQHPZNDAQERJ-UHFFFAOYSA-N 0 0 397.891 4.692 50 0 GJAARN c1cn(CCCNc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn32)cn1 ZINC000005206850 570431376 /nfs/dbraw/zinc/43/13/76/570431376.db2.gz DDGFQNBEQNZUQE-UHFFFAOYSA-N 0 0 394.482 4.762 50 0 GJAARN Cc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000032954079 570434897 /nfs/dbraw/zinc/43/48/97/570434897.db2.gz BTANQCKUHUEFES-UHFFFAOYSA-N 0 0 393.830 4.888 50 0 GJAARN COc1ccc(C[NH2+][C@H](CC(=O)c2ccc(C3CCCCC3)cc2)C(=O)[O-])cc1 ZINC000005359842 570435163 /nfs/dbraw/zinc/43/51/63/570435163.db2.gz VTYYKGBUENXXGF-JOCHJYFZSA-N 0 0 395.499 4.559 50 0 GJAARN COc1ccc(-c2nn(CN3CCC(C)CC3)c(=S)n2-c2ccccc2)cc1 ZINC000005393134 570437308 /nfs/dbraw/zinc/43/73/08/570437308.db2.gz NGYILESEGMAFQY-UHFFFAOYSA-N 0 0 394.544 4.768 50 0 GJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c1 ZINC000100748751 570438865 /nfs/dbraw/zinc/43/88/65/570438865.db2.gz HZGKIKCZPCBRSK-OFNKIYASSA-N 0 0 378.472 4.524 50 0 biogenic GJAARN CCCCN(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035746278 570439436 /nfs/dbraw/zinc/43/94/36/570439436.db2.gz BLMLRSJTUZMRKY-UHFFFAOYSA-N 0 0 387.549 4.630 50 0 GJAARN Clc1ccccc1-c1nn2c(nnc2-c2cc(-c3ccccc3)n[nH]2)s1 ZINC000005459375 570440523 /nfs/dbraw/zinc/44/05/23/570440523.db2.gz QRMAKESLBIVBAU-UHFFFAOYSA-N 0 0 378.848 4.563 50 0 GJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@H]1c1cccs1 ZINC000248125014 570442293 /nfs/dbraw/zinc/44/22/93/570442293.db2.gz OJMORDKMELMKPD-HOCLYGCPSA-N 0 0 385.558 4.714 50 0 GJAARN C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)c1ccccc1 ZINC000006466114 570442816 /nfs/dbraw/zinc/44/28/16/570442816.db2.gz RJYZROWMJVKKQT-AWEZNQCLSA-N 0 0 393.464 4.516 50 0 GJAARN Cc1cccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c1 ZINC000005532770 570444835 /nfs/dbraw/zinc/44/48/35/570444835.db2.gz ZYYGXELJKASVGP-UHFFFAOYSA-N 0 0 375.284 4.918 50 0 GJAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Br)cc1)CCCC3 ZINC000005595926 570448439 /nfs/dbraw/zinc/44/84/39/570448439.db2.gz HGQSRTCHMCGLNJ-UHFFFAOYSA-N 0 0 393.331 4.751 50 0 GJAARN Cc1cccc(-c2nnc(S[C@H]3CCCCCC3=O)n2Cc2ccco2)c1 ZINC000028189212 570451821 /nfs/dbraw/zinc/45/18/21/570451821.db2.gz MSSJSJCIANHEKY-IBGZPJMESA-N 0 0 381.501 4.889 50 0 GJAARN CCCOc1ccc(-c2nsc(NC(=O)c3cccc(C)c3)n2)cc1OC ZINC000028287276 570454161 /nfs/dbraw/zinc/45/41/61/570454161.db2.gz FYNTUNGUXKECIE-UHFFFAOYSA-N 0 0 383.473 4.563 50 0 GJAARN C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4Br)no3)ccc2O1 ZINC000028286978 570454165 /nfs/dbraw/zinc/45/41/65/570454165.db2.gz PUJWXVJNOKPPCX-LLVKDONJSA-N 0 0 399.244 4.680 50 0 GJAARN O=C(NC1CC1)[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 ZINC000028368072 570458673 /nfs/dbraw/zinc/45/86/73/570458673.db2.gz KYGRTRJHRXYDMH-OAQYLSRUSA-N 0 0 378.472 4.550 50 0 GJAARN CC(C)CCOC(=O)[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 ZINC000005843002 570458774 /nfs/dbraw/zinc/45/87/74/570458774.db2.gz MWJKKWUGTAUTMQ-GOSISDBHSA-N 0 0 395.833 4.679 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc2[nH]c3ccccc3n21 ZINC000006509096 570461543 /nfs/dbraw/zinc/46/15/43/570461543.db2.gz DDHDZZVJTLAKBC-KGLIPLIRSA-N 0 0 393.516 4.843 50 0 GJAARN O=C(NCc1cccs1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032958528 570461700 /nfs/dbraw/zinc/46/17/00/570461700.db2.gz FGNQVGMRCQSRSY-UHFFFAOYSA-N 0 0 379.416 4.534 50 0 GJAARN Cc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1Br ZINC000005925278 570462174 /nfs/dbraw/zinc/46/21/74/570462174.db2.gz RAZLPAGWKDJTCS-UHFFFAOYSA-N 0 0 399.082 4.538 50 0 GJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)c(F)c1 ZINC000028730049 570463680 /nfs/dbraw/zinc/46/36/80/570463680.db2.gz PESKKABQPPQHMR-UHFFFAOYSA-N 0 0 387.436 4.678 50 0 GJAARN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1 ZINC000064450223 570464485 /nfs/dbraw/zinc/46/44/85/570464485.db2.gz FCAXHWKHGITFGC-IBGZPJMESA-N 0 0 387.483 4.669 50 0 GJAARN CN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)c1ncccc1F ZINC000130927869 570465217 /nfs/dbraw/zinc/46/52/17/570465217.db2.gz MJWNTSZOKSUHHU-UHFFFAOYSA-N 0 0 382.247 4.928 50 0 GJAARN COc1ccccc1NC(=O)Nc1c(N)n(C(C)(C)C)nc1-c1ccccc1 ZINC000035868120 570466554 /nfs/dbraw/zinc/46/65/54/570466554.db2.gz XIYWQYAJYYMWJR-UHFFFAOYSA-N 0 0 379.464 4.540 50 0 GJAARN Nc1c(NC(=O)NC2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000035868087 570466594 /nfs/dbraw/zinc/46/65/94/570466594.db2.gz JSVOXGBGUQCPMA-UHFFFAOYSA-N 0 0 375.476 4.576 50 0 GJAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccccc3)c2cc1OC ZINC000064474038 570467334 /nfs/dbraw/zinc/46/73/34/570467334.db2.gz QIKSKYRGTMAAFR-UHFFFAOYSA-N 0 0 391.471 4.622 50 0 GJAARN Cc1nc(C2(NC(=O)Cc3ccc(-c4ccccc4)cc3)CCCCC2)no1 ZINC000029057777 570467734 /nfs/dbraw/zinc/46/77/34/570467734.db2.gz QQLSTPQYRODUGY-UHFFFAOYSA-N 0 0 375.472 4.563 50 0 GJAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)Nc1ccc(Cl)cc1 ZINC000064473438 570467853 /nfs/dbraw/zinc/46/78/53/570467853.db2.gz IKDKBJVCZRXKJN-UHFFFAOYSA-N 0 0 389.842 4.968 50 0 GJAARN c1ccc(Cn2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000006531478 570468351 /nfs/dbraw/zinc/46/83/51/570468351.db2.gz IPYCWPQFSJJKON-UHFFFAOYSA-N 0 0 388.496 4.560 50 0 GJAARN Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC000006143756 570469472 /nfs/dbraw/zinc/46/94/72/570469472.db2.gz CBAOUTPPVRPOFC-UHFFFAOYSA-N 0 0 375.664 4.542 50 0 GJAARN COc1ccc(N=C2NN=C(c3cc(C)n(Cc4ccco4)c3C)CS2)cc1 ZINC000006545730 570472555 /nfs/dbraw/zinc/47/25/55/570472555.db2.gz WNZZMVBROWRQEX-UHFFFAOYSA-N 0 0 394.500 4.674 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 ZINC000005164809 570473549 /nfs/dbraw/zinc/47/35/49/570473549.db2.gz OYPVOPCWDLCKSV-BKULYWANSA-N 0 0 397.490 4.733 50 0 GJAARN CCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000072284291 570474376 /nfs/dbraw/zinc/47/43/76/570474376.db2.gz DRCAQZMUWHGFFK-UHFFFAOYSA-N 0 0 389.780 4.748 50 0 GJAARN O=C(c1cc(Cl)c2ccccc2n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000006277063 570475644 /nfs/dbraw/zinc/47/56/44/570475644.db2.gz HDMJXQQEXSZKRA-UHFFFAOYSA-N 0 0 386.282 4.504 50 0 GJAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1 ZINC000006276829 570475785 /nfs/dbraw/zinc/47/57/85/570475785.db2.gz WSRQFGRXCBHQAD-OAQYLSRUSA-N 0 0 398.915 4.698 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1OCc1ccc(F)cc1 ZINC000006553138 570476186 /nfs/dbraw/zinc/47/61/86/570476186.db2.gz GEUGHITUAHZQON-UHFFFAOYSA-N 0 0 393.414 4.818 50 0 GJAARN O=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1Cc1ccccc1 ZINC000006553127 570476255 /nfs/dbraw/zinc/47/62/55/570476255.db2.gz HDQBUAHZYNSKIZ-UHFFFAOYSA-N 0 0 385.492 4.977 50 0 GJAARN O[C@@H](CNc1nc(-c2ccsc2)nc2ccccc21)c1ccc(F)c(F)c1 ZINC000029588607 570476808 /nfs/dbraw/zinc/47/68/08/570476808.db2.gz LPRKFVJBFRPOQV-SFHVURJKSA-N 0 0 383.423 4.782 50 0 GJAARN O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cccc(Br)c1 ZINC000006315863 570476994 /nfs/dbraw/zinc/47/69/94/570476994.db2.gz MPBIVOVUBIGFIZ-UHFFFAOYSA-N 0 0 381.078 4.557 50 0 GJAARN CCN(CC)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000006564562 570478783 /nfs/dbraw/zinc/47/87/83/570478783.db2.gz XRLSYPGPSDNTGV-UHFFFAOYSA-N 0 0 388.924 4.793 50 0 GJAARN CCOc1ccccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)CC(C)C)c1 ZINC000035925047 570479703 /nfs/dbraw/zinc/47/97/03/570479703.db2.gz VUWSFVBAEDEBKN-QFIPXVFZSA-N 0 0 398.528 4.849 50 0 GJAARN C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1cccc(Cl)c1Cl ZINC000006567147 570479724 /nfs/dbraw/zinc/47/97/24/570479724.db2.gz DJGGESORERPMRC-JTQLQIEISA-N 0 0 380.300 4.999 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1Oc1ccccc1 ZINC000024226367 570481208 /nfs/dbraw/zinc/48/12/08/570481208.db2.gz LHYPXLYQVINNCG-UHFFFAOYSA-N 0 0 397.478 4.996 50 0 GJAARN COc1c(C)cccc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000006668476 570487225 /nfs/dbraw/zinc/48/72/25/570487225.db2.gz ZTMMJKDVBZNAPL-UHFFFAOYSA-N 0 0 377.396 4.777 50 0 GJAARN C[C@H](Sc1nnc(NC(=O)[C@@]2(C)CC2(Cl)Cl)s1)c1ccccc1 ZINC000006668102 570487290 /nfs/dbraw/zinc/48/72/90/570487290.db2.gz NJTHDZUCENJQGB-LKFCYVNXSA-N 0 0 388.345 4.914 50 0 GJAARN CCc1noc(C)c1C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000005167962 570490326 /nfs/dbraw/zinc/49/03/26/570490326.db2.gz DTEKYGXRSJDRPS-UHFFFAOYSA-N 0 0 388.423 4.733 50 0 GJAARN O=C(Nc1nc(C2CC2)cs1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000030643131 570492933 /nfs/dbraw/zinc/49/29/33/570492933.db2.gz VTBQRZSLRKOREE-UHFFFAOYSA-N 0 0 381.432 4.664 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ncccc2C)cc1 ZINC000006604501 570495760 /nfs/dbraw/zinc/49/57/60/570495760.db2.gz HJRUZIVAQSYAIK-UHFFFAOYSA-N 0 0 384.439 4.504 50 0 GJAARN CCCCOC(=O)CSc1nc2cc(OC)ccc2n1Cc1ccccc1 ZINC000030822808 570497128 /nfs/dbraw/zinc/49/71/28/570497128.db2.gz RCKJMFVRAOONLB-UHFFFAOYSA-N 0 0 384.501 4.529 50 0 GJAARN 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GJAARN O=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1cccc(Cl)c1 ZINC000065272440 570778486 /nfs/dbraw/zinc/77/84/86/570778486.db2.gz KKQGMWMLHIAKTN-UHFFFAOYSA-N 0 0 398.894 4.562 50 0 GJAARN c1coc(CNc2nc3sc4c(c3c3nc(-c5ccccc5)nn32)CCC4)c1 ZINC000013722863 570780930 /nfs/dbraw/zinc/78/09/30/570780930.db2.gz VZMKPFAGUVMTRK-UHFFFAOYSA-N 0 0 387.468 4.700 50 0 GJAARN CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000067604545 570783334 /nfs/dbraw/zinc/78/33/34/570783334.db2.gz LBNOJMKRSQYJOT-UHFFFAOYSA-N 0 0 396.903 4.774 50 0 GJAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2 ZINC000067690442 570786714 /nfs/dbraw/zinc/78/67/14/570786714.db2.gz ICBMFWZGPYHJCD-UHFFFAOYSA-N 0 0 377.415 4.542 50 0 GJAARN C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000032731799 570788036 /nfs/dbraw/zinc/78/80/36/570788036.db2.gz MJQPCJHHQJVNNH-ZDUSSCGKSA-N 0 0 396.384 4.760 50 0 GJAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1c(C)cccc1C ZINC000004450126 570788377 /nfs/dbraw/zinc/78/83/77/570788377.db2.gz LKHLUGBLCUTOBW-UHFFFAOYSA-N 0 0 388.389 4.950 50 0 GJAARN O=C(c1ccc(NCc2ccoc2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000067741580 570788993 /nfs/dbraw/zinc/78/89/93/570788993.db2.gz YROICXMKVBFYPP-FQEVSTJZSA-N 0 0 375.472 4.697 50 0 GJAARN O=C(c1ccc(NCc2ccoc2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067741577 570788999 /nfs/dbraw/zinc/78/89/99/570788999.db2.gz YROICXMKVBFYPP-HXUWFJFHSA-N 0 0 375.472 4.697 50 0 GJAARN CCSCCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067755551 570789610 /nfs/dbraw/zinc/78/96/10/570789610.db2.gz OBHOCMVQPIEDFM-UHFFFAOYSA-N 0 0 391.920 4.577 50 0 GJAARN CCC[C@H]1C[C@H]1C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067771227 570790167 /nfs/dbraw/zinc/79/01/67/570790167.db2.gz SGUBTRIUYMZCPM-SUMWQHHRSA-N 0 0 378.394 4.945 50 0 GJAARN Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)c1C ZINC000013787220 570790199 /nfs/dbraw/zinc/79/01/99/570790199.db2.gz SYHOFNPYROIPRK-UHFFFAOYSA-N 0 0 386.451 4.893 50 0 GJAARN O=c1c2ccccc2nc(CSc2ncnc3ccccc32)n1-c1ccccc1 ZINC000001175952 570790472 /nfs/dbraw/zinc/79/04/72/570790472.db2.gz FTRLTOOHHPUAFV-UHFFFAOYSA-N 0 0 396.475 4.621 50 0 GJAARN CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3cc(C)ccc3C)cn12 ZINC000067818393 570792281 /nfs/dbraw/zinc/79/22/81/570792281.db2.gz ZKCMGYPLGZRRPG-UHFFFAOYSA-N 0 0 390.512 4.737 50 0 GJAARN c1cc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cs1 ZINC000032759268 570794774 /nfs/dbraw/zinc/79/47/74/570794774.db2.gz GILSRRJIDUEBKX-KRWDZBQOSA-N 0 0 384.526 4.980 50 0 GJAARN CN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21)c1ccccc1 ZINC000005830526 570795819 /nfs/dbraw/zinc/79/58/19/570795819.db2.gz NLPRMAZTFXPPSI-UHFFFAOYSA-N 0 0 393.443 4.539 50 0 GJAARN Fc1ccc(OCc2noc(-c3ccccc3Cl)n2)c(Br)c1 ZINC000032754528 570797390 /nfs/dbraw/zinc/79/73/90/570797390.db2.gz XAYHQAYOZZIQFB-UHFFFAOYSA-N 0 0 383.604 4.871 50 0 GJAARN Cc1ccc2c(CC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)coc2c1C ZINC000032776631 570799175 /nfs/dbraw/zinc/79/91/75/570799175.db2.gz 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ZINC000033072310 570803811 /nfs/dbraw/zinc/80/38/11/570803811.db2.gz RCPPUDCVFXHYLP-FQEVSTJZSA-N 0 0 379.847 4.823 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)s1 ZINC000033078467 570804881 /nfs/dbraw/zinc/80/48/81/570804881.db2.gz CWJPDLLSBYHJIZ-MRXNPFEDSA-N 0 0 394.544 4.726 50 0 GJAARN CCN1c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C(=O)N2CCCC[C@H]12 ZINC000583649046 570804933 /nfs/dbraw/zinc/80/49/33/570804933.db2.gz PXSFZBSYXMCIFL-HXUWFJFHSA-N 0 0 397.906 4.693 50 0 GJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3ccc(C)cc3C)C2)s1 ZINC000033078470 570805005 /nfs/dbraw/zinc/80/50/05/570805005.db2.gz SAYNXODEELGPHC-INIZCTEOSA-N 0 0 394.544 4.726 50 0 GJAARN CCCCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331548 570805541 /nfs/dbraw/zinc/80/55/41/570805541.db2.gz NQBVMQDBHYLURU-FQEVSTJZSA-N 0 0 375.472 4.834 50 0 GJAARN O=C(OCc1cc(Cl)cc2c1OCOC2)C1(c2ccc(F)cc2)CCCC1 ZINC000005936058 570805681 /nfs/dbraw/zinc/80/56/81/570805681.db2.gz XGEDFMKXRIOEDB-UHFFFAOYSA-N 0 0 390.838 4.901 50 0 GJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000005938269 570806896 /nfs/dbraw/zinc/80/68/96/570806896.db2.gz LFQRKRRPAMLZKG-UHFFFAOYSA-N 0 0 380.835 4.833 50 0 GJAARN CCOc1ccccc1CCC(=O)NCc1ccc(Oc2nccs2)cc1 ZINC000238859668 570807624 /nfs/dbraw/zinc/80/76/24/570807624.db2.gz KKWPRIAIFLZMRQ-UHFFFAOYSA-N 0 0 382.485 4.583 50 0 GJAARN O=C(NC1CC1)c1ccc(CN(C(=O)Nc2cccc3ccccc32)C2CC2)cc1 ZINC000032779473 570807786 /nfs/dbraw/zinc/80/77/86/570807786.db2.gz DVETZVYBYHHOKU-UHFFFAOYSA-N 0 0 399.494 4.929 50 0 GJAARN O=c1[nH]c2ccccc2n1CCCSc1ncc(C(F)(F)F)cc1Cl ZINC000005959368 570809089 /nfs/dbraw/zinc/80/90/89/570809089.db2.gz ZJWANLJPMXEDLE-UHFFFAOYSA-N 0 0 387.814 4.579 50 0 GJAARN COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000004659346 570809121 /nfs/dbraw/zinc/80/91/21/570809121.db2.gz AQGRQDWDLKVIGP-UHFFFAOYSA-N 0 0 379.851 4.838 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cs2)cc1 ZINC000005971690 570810671 /nfs/dbraw/zinc/81/06/71/570810671.db2.gz 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ZINC000005697965 570816741 /nfs/dbraw/zinc/81/67/41/570816741.db2.gz LMXCJRDGMQVUMP-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000007217456 570817138 /nfs/dbraw/zinc/81/71/38/570817138.db2.gz HFSYZLIALBRNGV-AWEZNQCLSA-N 0 0 396.896 4.615 50 0 GJAARN Cc1occc1-c1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)n1C ZINC000007217237 570817145 /nfs/dbraw/zinc/81/71/45/570817145.db2.gz LEZMINLABSXEOX-UHFFFAOYSA-N 0 0 386.864 4.984 50 0 GJAARN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000032796624 570818585 /nfs/dbraw/zinc/81/85/85/570818585.db2.gz NATNKUOFTKMGBC-KRWDZBQOSA-N 0 0 388.467 4.781 50 0 GJAARN CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000013008473 570818731 /nfs/dbraw/zinc/81/87/31/570818731.db2.gz SBQWMUZTMBLXPA-UJGDBWEASA-N 0 0 383.488 4.553 50 0 GJAARN Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3C)cc2)cc1 ZINC000007235556 570819205 /nfs/dbraw/zinc/81/92/05/570819205.db2.gz VCYXGMAPORHEMX-UHFFFAOYSA-N 0 0 394.500 4.524 50 0 GJAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NC3CCCC3)c2)n1 ZINC000033130516 570821227 /nfs/dbraw/zinc/82/12/27/570821227.db2.gz BIVRVQXAXWCKPV-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN c1csc(-c2nc(CSc3ncnc4c3cnn4-c3ccccc3)co2)c1 ZINC000036852347 570821225 /nfs/dbraw/zinc/82/12/25/570821225.db2.gz SJPVQJFIRXJRIG-UHFFFAOYSA-N 0 0 391.481 4.824 50 0 GJAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)NC4CCCC4)c3)nn2)cc1 ZINC000033130979 570821512 /nfs/dbraw/zinc/82/15/12/570821512.db2.gz ZKEMSPQAWJCIGE-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN CCCCN(C)C(=O)c1cccc(-c2ccc(Oc3ccccc3OC)nn2)c1 ZINC000033131015 570822102 /nfs/dbraw/zinc/82/21/02/570822102.db2.gz CECAHXDZJARGRJ-UHFFFAOYSA-N 0 0 391.471 4.817 50 0 GJAARN Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)cc1 ZINC000004676107 570822340 /nfs/dbraw/zinc/82/23/40/570822340.db2.gz HRXGSIQAHWVCLC-UHFFFAOYSA-N 0 0 386.860 4.888 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000004675726 570822538 /nfs/dbraw/zinc/82/25/38/570822538.db2.gz 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/nfs/dbraw/zinc/82/77/16/570827716.db2.gz RYZBYDZYRYENFK-QGZVFWFLSA-N 0 0 398.413 4.643 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2Cn2ncn(-c3ccccc3C)c2=S)cc1 ZINC000007317576 570828804 /nfs/dbraw/zinc/82/88/04/570828804.db2.gz PQWGEMUMHBFNJY-NRFANRHFSA-N 0 0 394.544 4.905 50 0 GJAARN COc1ccccc1-n1c(S[C@@H]2CCCCCC2=O)nnc1-c1cccs1 ZINC000012522453 570829165 /nfs/dbraw/zinc/82/91/65/570829165.db2.gz JLRIKBYNLXEYBO-QGZVFWFLSA-N 0 0 399.541 4.998 50 0 GJAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000012523353 570829628 /nfs/dbraw/zinc/82/96/28/570829628.db2.gz VYASQYXVAVAZKE-UHFFFAOYSA-N 0 0 382.423 4.508 50 0 GJAARN CC(=O)Nc1cccc([C@@H](C)NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000032816614 570829864 /nfs/dbraw/zinc/82/98/64/570829864.db2.gz GJJRRVRIQWMNCI-MRXNPFEDSA-N 0 0 378.516 4.852 50 0 GJAARN O=C(/C=C\c1ccccc1)N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl ZINC000033154790 570829867 /nfs/dbraw/zinc/82/98/67/570829867.db2.gz MGDUDQQGPMMFBS-SNGWPZLWSA-N 0 0 387.669 4.764 50 0 GJAARN CCc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 ZINC000004685329 570830745 /nfs/dbraw/zinc/83/07/45/570830745.db2.gz NIXOYFGRMWEGRE-IRXDYDNUSA-N 0 0 388.302 4.876 50 0 GJAARN CCOc1ccc(Cc2noc3c2C(=O)C[C@H](c2ccccc2)C3)cc1OCC ZINC000004686507 570831071 /nfs/dbraw/zinc/83/10/71/570831071.db2.gz WOSVJAOYFNSRTN-SFHVURJKSA-N 0 0 391.467 4.976 50 0 GJAARN CSc1ncc(Cl)c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 ZINC000032818767 570831567 /nfs/dbraw/zinc/83/15/67/570831567.db2.gz FIKSAXRVKSEPDO-UHFFFAOYSA-N 0 0 376.869 4.543 50 0 GJAARN CC(C)[C@H](NC(=O)CSc1ccccc1F)c1ccc2c(c1)OCCCO2 ZINC000007361816 570833962 /nfs/dbraw/zinc/83/39/62/570833962.db2.gz OMKVCDJXNLVBEX-NRFANRHFSA-N 0 0 389.492 4.593 50 0 GJAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 ZINC000004688091 570834100 /nfs/dbraw/zinc/83/41/00/570834100.db2.gz LLYSBVLSMBWAAY-MRXNPFEDSA-N 0 0 399.560 4.837 50 0 GJAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(SCc2cccs2)s1 ZINC000032823813 570838105 /nfs/dbraw/zinc/83/81/05/570838105.db2.gz 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/nfs/dbraw/zinc/89/64/37/570896437.db2.gz WJBPXFYDIOPTIY-WDPZDACHSA-N 0 0 378.516 4.519 50 0 GJAARN CCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2cccc(SC)c2)C1 ZINC000097124521 570897533 /nfs/dbraw/zinc/89/75/33/570897533.db2.gz WPIBXAHKGGXISV-OAHLLOKOSA-N 0 0 395.532 4.585 50 0 GJAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Cl)c1O ZINC000004571673 570899162 /nfs/dbraw/zinc/89/91/62/570899162.db2.gz CVPDIKIIJDGDON-BCTVWOGZSA-N 0 0 378.881 4.669 50 0 GJAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 ZINC000004118406 570899490 /nfs/dbraw/zinc/89/94/90/570899490.db2.gz MCIAMVVNWPELTR-INIZCTEOSA-N 0 0 394.544 4.650 50 0 GJAARN Cc1ccccc1-c1nc(CN[C@H](C)CCc2ccc(OC(F)F)cc2)no1 ZINC000097164463 570901224 /nfs/dbraw/zinc/90/12/24/570901224.db2.gz VYDIIWWQWPHIJT-OAHLLOKOSA-N 0 0 387.430 4.757 50 0 GJAARN CCOc1ccc(Nc2ncccc2C(=O)OCc2nc3ccccc3o2)cc1 ZINC000023078691 570902107 /nfs/dbraw/zinc/90/21/07/570902107.db2.gz LGGALAGBBQDIEG-UHFFFAOYSA-N 0 0 389.411 4.722 50 0 GJAARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000004575091 570902997 /nfs/dbraw/zinc/90/29/97/570902997.db2.gz GIMJXCZYUBROSN-UHFFFAOYSA-N 0 0 391.298 4.793 50 0 GJAARN COc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1OC ZINC000014506110 570905702 /nfs/dbraw/zinc/90/57/02/570905702.db2.gz AVHZFQZDWRYVLB-UHFFFAOYSA-N 0 0 396.424 4.933 50 0 GJAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C(=O)NCc3ccc(C)cc3)cc(C)c12 ZINC000006770110 570906072 /nfs/dbraw/zinc/90/60/72/570906072.db2.gz FIYDTWZSINTMHW-UHFFFAOYSA-N 0 0 398.510 4.893 50 0 GJAARN Cc1ccccc1N1CCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000051315830 570907247 /nfs/dbraw/zinc/90/72/47/570907247.db2.gz GRTUFWVLAQZLBC-UHFFFAOYSA-N 0 0 396.494 4.501 50 0 GJAARN O=C(Nc1ccc(OC(F)F)cc1)c1cccc(OCc2cscn2)c1 ZINC000016706591 570907436 /nfs/dbraw/zinc/90/74/36/570907436.db2.gz DMVCESMMGKJJDK-UHFFFAOYSA-N 0 0 376.384 4.576 50 0 GJAARN CC(C)c1c(C(=O)N[C@H](C)CCc2ccco2)cnn1-c1cccc(Cl)c1 ZINC000023109355 570907435 /nfs/dbraw/zinc/90/74/35/570907435.db2.gz DYIDBYXKBWGWDH-OAHLLOKOSA-N 0 0 385.895 4.993 50 0 GJAARN Nc1c(C(=O)Nc2ccccc2Cl)c2ccccn2c1C(=O)c1ccccc1 ZINC000004585242 570916302 /nfs/dbraw/zinc/91/63/02/570916302.db2.gz AAVGSBWWMGQMGN-UHFFFAOYSA-N 0 0 389.842 4.658 50 0 GJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn32)cc1 ZINC000004585217 570916308 /nfs/dbraw/zinc/91/63/08/570916308.db2.gz SBXSUJUZVXQIAE-UHFFFAOYSA-N 0 0 397.478 4.930 50 0 GJAARN Cc1c(-c2cccc(C(=O)N3CCC[C@H](C)CC3)c2)c(C(F)(F)F)nn1C ZINC000534649444 570917774 /nfs/dbraw/zinc/91/77/74/570917774.db2.gz YINRKIKGMSSWPF-ZDUSSCGKSA-N 0 0 379.426 4.677 50 0 GJAARN C[C@@](O)(CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000089900565 570918674 /nfs/dbraw/zinc/91/86/74/570918674.db2.gz SVJBGCQAPJHYIS-JTHBVZDNSA-N 0 0 395.499 4.683 50 0 GJAARN CSc1cccc(-c2nnc(NC(=O)Cc3cccc4ccccc43)o2)c1 ZINC000004585603 570918705 /nfs/dbraw/zinc/91/87/05/570918705.db2.gz JCGFSIQDPFJGEG-UHFFFAOYSA-N 0 0 375.453 4.793 50 0 GJAARN C[C@@H](NC(=O)CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000089905541 570919064 /nfs/dbraw/zinc/91/90/64/570919064.db2.gz OVPSVLAJFOJCIS-ZIAGYGMSSA-N 0 0 393.314 4.828 50 0 GJAARN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000023157183 570920457 /nfs/dbraw/zinc/92/04/57/570920457.db2.gz SRFDAWJCAMRPEL-CLCXKQKWSA-N 0 0 398.576 4.996 50 0 GJAARN CCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC ZINC000016308334 570921921 /nfs/dbraw/zinc/92/19/21/570921921.db2.gz VELLBCZLEFQLCM-QGZVFWFLSA-N 0 0 399.878 4.601 50 0 GJAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc(C(F)(F)F)c1 ZINC000004589077 570923362 /nfs/dbraw/zinc/92/33/62/570923362.db2.gz BMLJLIOCVCJECL-ZROIWOOFSA-N 0 0 396.162 4.812 50 0 GJAARN Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)s1 ZINC000031951669 570927080 /nfs/dbraw/zinc/92/70/80/570927080.db2.gz BYMNOVJDXINBFN-FZKQIMNGSA-N 0 0 392.952 4.650 50 0 GJAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cc2ccccc2oc1=O ZINC000004063018 570928113 /nfs/dbraw/zinc/92/81/13/570928113.db2.gz ATJNTTAJBCUGKR-UHFFFAOYSA-N 0 0 399.431 4.717 50 0 GJAARN O=C1CSC(N2N=C3C(=Cc4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)=N1 ZINC000051330511 570929148 /nfs/dbraw/zinc/92/91/48/570929148.db2.gz WEYCYEKZTKUHIW-CRQYIDQLSA-N 0 0 387.508 4.912 50 0 GJAARN O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccc(Cl)cc1 ZINC000001117659 570931322 /nfs/dbraw/zinc/93/13/22/570931322.db2.gz SCGPPWQVJDVKTN-UHFFFAOYSA-N 0 0 396.668 4.565 50 0 GJAARN Cc1ccc(C)c(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 ZINC000012628693 570931523 /nfs/dbraw/zinc/93/15/23/570931523.db2.gz NPGIAZNXUUXGPY-JOCHJYFZSA-N 0 0 383.495 4.904 50 0 GJAARN C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)c1nc2ccccc2n1C(F)F ZINC000046834872 570934692 /nfs/dbraw/zinc/93/46/92/570934692.db2.gz GPOKYSTUQZUGPI-SECBINFHSA-N 0 0 388.399 4.541 50 0 GJAARN CCCOc1c(Cl)cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OC ZINC000002081640 570934758 /nfs/dbraw/zinc/93/47/58/570934758.db2.gz HGJZFVNVRGOLJW-MHWRWJLKSA-N 0 0 389.810 4.621 50 0 GJAARN Cn1c(=N)n(CC(=O)c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000334157559 570934845 /nfs/dbraw/zinc/93/48/45/570934845.db2.gz LHUUYLXWKFEXPX-UHFFFAOYSA-N 0 0 394.689 4.816 50 0 GJAARN Cc1c(C(=O)OCc2cccc(C(F)(F)F)c2)nnn1-c1cccc(Cl)c1 ZINC000046914196 570936526 /nfs/dbraw/zinc/93/65/26/570936526.db2.gz SLINBNAWPIZLKK-UHFFFAOYSA-N 0 0 395.768 4.605 50 0 GJAARN COC(=O)c1c(Nc2cc(OC)ccc2OC)onc1-c1ccc(Cl)cc1 ZINC000046914144 570936540 /nfs/dbraw/zinc/93/65/40/570936540.db2.gz MITDANJIPKTHAO-UHFFFAOYSA-N 0 0 388.807 4.542 50 0 GJAARN Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)[C@@H](F)C(F)(F)F)n1 ZINC000032925683 570938209 /nfs/dbraw/zinc/93/82/09/570938209.db2.gz HKAYQCXSWPNJTM-AWEZNQCLSA-N 0 0 378.272 4.514 50 0 GJAARN O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)ccc1Cl ZINC000032930319 570944714 /nfs/dbraw/zinc/94/47/14/570944714.db2.gz CCWQEEANZVLODT-UHFFFAOYSA-N 0 0 387.266 4.897 50 0 GJAARN CCn1c(SCc2cccc(OC)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000002370695 570947142 /nfs/dbraw/zinc/94/71/42/570947142.db2.gz GSXVSIZFOMXJFQ-UHFFFAOYSA-N 0 0 386.542 4.658 50 0 GJAARN CCOc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 ZINC000032935065 570947163 /nfs/dbraw/zinc/94/71/63/570947163.db2.gz UJUMSGNEQRGXPK-IBGZPJMESA-N 0 0 387.277 4.545 50 0 GJAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 ZINC000033326104 570949629 /nfs/dbraw/zinc/94/96/29/570949629.db2.gz IMXLBYAXGGMWGK-KRWDZBQOSA-N 0 0 397.475 4.518 50 0 GJAARN C[C@H](NC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000043759729 570949855 /nfs/dbraw/zinc/94/98/55/570949855.db2.gz GWVPTHDAQLEMFV-BLMSOEDDSA-N 0 0 385.389 4.782 50 0 GJAARN Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)oc2c1C(=O)CC(C)(C)C2 ZINC000047247964 570950059 /nfs/dbraw/zinc/95/00/59/570950059.db2.gz YTAFZXQMXJKUBU-NRFANRHFSA-N 0 0 388.467 4.658 50 0 GJAARN CCCCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000002110893 570950385 /nfs/dbraw/zinc/95/03/85/570950385.db2.gz CHWCCVSKHCMVIW-ZXYASIKESA-N 0 0 376.500 4.503 50 0 biogenic GJAARN Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)s1 ZINC000033288148 570955630 /nfs/dbraw/zinc/95/56/30/570955630.db2.gz PIWXFVIWAVSECD-UHFFFAOYSA-N 0 0 389.480 4.625 50 0 GJAARN Cc1nc(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)c(C)c2)no1 ZINC000004742109 570956476 /nfs/dbraw/zinc/95/64/76/570956476.db2.gz ODWVDSJLGRHAJJ-ZDUSSCGKSA-N 0 0 385.851 4.721 50 0 GJAARN Cc1ccc(-c2nc(C3CCN(C(=O)c4cc(C)cc(C)c4)CC3)no2)cc1 ZINC000033281817 570957319 /nfs/dbraw/zinc/95/73/19/570957319.db2.gz KCSHFLXUOXKLBY-UHFFFAOYSA-N 0 0 375.472 4.682 50 0 GJAARN Cc1cccc(C(=O)N2c3ccccc3N3C(c4c(C)cc(C)cc4C)=NON23)c1 ZINC000004746465 570960330 /nfs/dbraw/zinc/96/03/30/570960330.db2.gz VEUHPJGEKKKSPK-UHFFFAOYSA-N 0 0 398.466 4.826 50 0 GJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)o1 ZINC000033290152 570961245 /nfs/dbraw/zinc/96/12/45/570961245.db2.gz OUIOJRNHBRKKBD-UHFFFAOYSA-N 0 0 396.559 4.683 50 0 GJAARN Cc1cccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 ZINC000007595112 570961949 /nfs/dbraw/zinc/96/19/49/570961949.db2.gz JBVJMGRIECOZBG-UHFFFAOYSA-N 0 0 399.878 4.514 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2s1 ZINC000033298840 570962868 /nfs/dbraw/zinc/96/28/68/570962868.db2.gz LIMXWKXXQJHESZ-UHFFFAOYSA-N 0 0 382.507 4.657 50 0 GJAARN Cc1cc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n[nH]1 ZINC000047555242 570964384 /nfs/dbraw/zinc/96/43/84/570964384.db2.gz BKSBEGGBSMEOLL-UHFFFAOYSA-N 0 0 394.504 4.641 50 0 GJAARN C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)c1cc(F)ccc1F ZINC000106587558 570965998 /nfs/dbraw/zinc/96/59/98/570965998.db2.gz YBCSAVLFTBMDPO-SNVBAGLBSA-N 0 0 379.819 4.562 50 0 GJAARN c1csc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000106617385 570966065 /nfs/dbraw/zinc/96/60/65/570966065.db2.gz KHSLOHXNPCVGOQ-VGOFRKELSA-N 0 0 390.464 4.762 50 0 GJAARN CC(C)c1cc(C(=O)N2CCc3ccccc32)nn1-c1nc2ccccc2s1 ZINC000012223601 570967421 /nfs/dbraw/zinc/96/74/21/570967421.db2.gz JMPGKPPHSIDIKD-UHFFFAOYSA-N 0 0 388.496 4.808 50 0 GJAARN CCOc1ccccc1NC(=O)Nc1ccc(Nc2cc(OC)nc(C)n2)cc1 ZINC000012225705 570968044 /nfs/dbraw/zinc/96/80/44/570968044.db2.gz OYVRCOXBELCANS-UHFFFAOYSA-N 0 0 393.447 4.580 50 0 GJAARN O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](/C=C\c1ccccc1)Nc1ccccc1-2 ZINC000106922741 570968736 /nfs/dbraw/zinc/96/87/36/570968736.db2.gz NTZHBGGNRGJLQX-SDQNTSPESA-N 0 0 396.425 4.749 50 0 GJAARN O=C(CSc1ccc(F)cc1)NCc1ccc(C(=O)c2ccsc2)s1 ZINC000211084251 570969600 /nfs/dbraw/zinc/96/96/00/570969600.db2.gz ROCVBSHKGVJNSU-UHFFFAOYSA-N 0 0 391.514 4.588 50 0 GJAARN O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1Br ZINC000004166959 570970472 /nfs/dbraw/zinc/97/04/72/570970472.db2.gz MOXQAUGRFVIJKN-UHFFFAOYSA-N 0 0 387.302 4.545 50 0 GJAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1cccc(F)c1 ZINC000033312626 570971159 /nfs/dbraw/zinc/97/11/59/570971159.db2.gz BQCZSHJRSCWGQH-GFCCVEGCSA-N 0 0 384.480 4.627 50 0 GJAARN CSc1ccccc1NC(=O)c1c(C)sc2ncnc(N3CCCCC3)c21 ZINC000033312616 570971383 /nfs/dbraw/zinc/97/13/83/570971383.db2.gz HNYUSOYIWVBGKY-UHFFFAOYSA-N 0 0 398.557 4.964 50 0 GJAARN Cc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)ccc1F ZINC000107146156 570971411 /nfs/dbraw/zinc/97/14/11/570971411.db2.gz PRLSLMJCXSPJPU-UHFFFAOYSA-N 0 0 398.747 4.639 50 0 GJAARN CCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc43)ccc12 ZINC000002147940 570972102 /nfs/dbraw/zinc/97/21/02/570972102.db2.gz FQMIJDNRACLYHC-UHFFFAOYSA-N 0 0 389.451 4.807 50 0 biogenic GJAARN Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000033318334 570973466 /nfs/dbraw/zinc/97/34/66/570973466.db2.gz DXVYQARKEHIZPD-UHFFFAOYSA-N 0 0 387.487 4.690 50 0 GJAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(C)cc1 ZINC000004571509 570978266 /nfs/dbraw/zinc/97/82/66/570978266.db2.gz SETXYRQKEFIYTR-XMMPIXPASA-N 0 0 393.531 4.654 50 0 GJAARN Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@@H]1CCCCc2ccccc21 ZINC000170644058 570980656 /nfs/dbraw/zinc/98/06/56/570980656.db2.gz MJCUSGJQKROARO-LJQANCHMSA-N 0 0 379.460 4.541 50 0 GJAARN O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)Nc1c(F)cccc1F ZINC000585147867 570980809 /nfs/dbraw/zinc/98/08/09/570980809.db2.gz DVPDTRVDDUHIFK-LBPRGKRZSA-N 0 0 380.441 4.610 50 0 GJAARN O=C(N[C@H](c1cccs1)C1CCOCC1)c1cc2cc(F)ccc2s1 ZINC000585149385 570983119 /nfs/dbraw/zinc/98/31/19/570983119.db2.gz NAJOACDTTNLMHQ-SFHVURJKSA-N 0 0 375.490 5.000 50 0 GJAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000044979129 570985459 /nfs/dbraw/zinc/98/54/59/570985459.db2.gz XCSIMNWWEXAJGB-INIZCTEOSA-N 0 0 389.858 4.510 50 0 GJAARN Cc1nc(NC(=O)Cc2ccccc2)sc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033331347 570987686 /nfs/dbraw/zinc/98/76/86/570987686.db2.gz KHWMHKSTZDOTTL-UHFFFAOYSA-N 0 0 390.468 4.658 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000012745287 570988600 /nfs/dbraw/zinc/98/86/00/570988600.db2.gz AAGUKNKLPRLUBH-UHFFFAOYSA-N 0 0 388.876 4.945 50 0 GJAARN Clc1ccccc1-c1nnc2sc(-c3cccc(Br)c3)nn21 ZINC000045208963 570988931 /nfs/dbraw/zinc/98/89/31/570988931.db2.gz BLPKYIVNUYVDAH-UHFFFAOYSA-N 0 0 391.681 4.936 50 0 GJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)c(Cl)c1 ZINC000004785333 570989089 /nfs/dbraw/zinc/98/90/89/570989089.db2.gz 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CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc4ccccc43)oc2c1 ZINC000000651797 212169939 /nfs/dbraw/zinc/16/99/39/212169939.db2.gz TVJLHZICTJPRMD-LCUIJRPUSA-N 0 0 385.467 4.764 50 0 GJAARN O=Cc1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12 ZINC000000638270 212168815 /nfs/dbraw/zinc/16/88/15/212168815.db2.gz LIDHRXSMOWVZRD-UHFFFAOYSA-N 0 0 378.653 4.949 50 0 GJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccccc1C ZINC000000637791 212167591 /nfs/dbraw/zinc/16/75/91/212167591.db2.gz XUPFAJUPRLLHMG-UHFFFAOYSA-N 0 0 395.480 4.918 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(Oc2ccccc2)c1 ZINC000009112001 212162370 /nfs/dbraw/zinc/16/23/70/212162370.db2.gz NVNMKDNQHYZBGN-UHFFFAOYSA-N 0 0 386.451 4.967 50 0 GJAARN CCc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 ZINC000009131260 212162454 /nfs/dbraw/zinc/16/24/54/212162454.db2.gz GGTGAAIBSQSACO-QGZVFWFLSA-N 0 0 391.496 4.626 50 0 GJAARN Cc1ccc(-c2ccc3c(N)c(C(=O)N4C[C@@H](C)C[C@H](C)C4)sc3n2)cc1 ZINC000167255952 212161218 /nfs/dbraw/zinc/16/12/18/212161218.db2.gz FFYWQIOZKCMNJI-GJZGRUSLSA-N 0 0 379.529 4.972 50 0 GJAARN COc1ccc(/C=C(/c2nc(C)cs2)c2nc3ccccc3n2C)cc1O ZINC000096891596 212155943 /nfs/dbraw/zinc/15/59/43/212155943.db2.gz GBZYZQNVVRTZFB-XNTDXEJSSA-N 0 0 377.469 4.641 50 0 GJAARN COc1cccc2cc(-c3cc(=O)oc4ccc(OC(=O)C5CC5)cc43)oc21 ZINC000004586185 212146317 /nfs/dbraw/zinc/14/63/17/212146317.db2.gz CYRKQMSPQJEKLS-UHFFFAOYSA-N 0 0 376.364 4.530 50 0 biogenic GJAARN COc1ccc(C(=O)Oc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1OC ZINC000004247234 212145842 /nfs/dbraw/zinc/14/58/42/212145842.db2.gz BJVKPUYFKOHLDX-UHFFFAOYSA-N 0 0 398.411 4.543 50 0 GJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 ZINC000263617633 212141954 /nfs/dbraw/zinc/14/19/54/212141954.db2.gz OUMXJJUOOVVTTJ-KRWDZBQOSA-N 0 0 396.809 4.664 50 0 GJAARN Fc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 ZINC000263617732 212141429 /nfs/dbraw/zinc/14/14/29/212141429.db2.gz PJNIYWHJZLVEEV-GOSISDBHSA-N 0 0 396.809 4.664 50 0 GJAARN CC(C)[C@H](C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)n1cccc1 ZINC000263588783 212141207 /nfs/dbraw/zinc/14/12/07/212141207.db2.gz YGUQQTRXBKWQGO-CQSZACIVSA-N 0 0 383.395 4.832 50 0 GJAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000253497721 212137142 /nfs/dbraw/zinc/13/71/42/212137142.db2.gz ITYPNQSEEGEJEL-JRDOGUOFSA-N 0 0 390.564 4.673 50 0 GJAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@]4(C)CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497722 212137536 /nfs/dbraw/zinc/13/75/36/212137536.db2.gz ITYPNQSEEGEJEL-MOFNORTLSA-N 0 0 390.564 4.673 50 0 GJAARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c2c1[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000253405729 212135936 /nfs/dbraw/zinc/13/59/36/212135936.db2.gz IKRXILKJBRMUDZ-IBGZPJMESA-N 0 0 398.414 4.915 50 0 biogenic GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(O)cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245238028 212134573 /nfs/dbraw/zinc/13/45/73/212134573.db2.gz CYSQSVAGOLJPOX-NEWJYFPISA-N 0 0 395.458 4.635 50 0 GJAARN O=C(CCn1ccc2ccccc21)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000334160834 212107197 /nfs/dbraw/zinc/10/71/97/212107197.db2.gz NFLOOEZCGAFMFT-XMMPIXPASA-N 0 0 394.478 4.814 50 0 GJAARN CSc1ccc(-c2csc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2)cc1 ZINC000328600065 212082197 /nfs/dbraw/zinc/08/21/97/212082197.db2.gz VKKVAGNYLTWSHK-INIZCTEOSA-N 0 0 392.546 4.840 50 0 GJAARN COc1ccc2[nH]cc(CCn3c(=O)c4ccccc4nc3-c3ccccc3)c2c1 ZINC000005274205 209122408 /nfs/dbraw/zinc/12/24/08/209122408.db2.gz HWIINPRCPLPIPY-UHFFFAOYSA-N 0 0 395.462 4.796 50 0 GJAARN Cc1cccc(C[C@H](C)CC(=O)Nc2ccc(I)cc2)c1 ZINC000071405974 209111089 /nfs/dbraw/zinc/11/10/89/209111089.db2.gz LVSPGULOOACMJT-AWEZNQCLSA-N 0 0 393.268 4.807 50 0 GJAARN Cc1csc(Oc2ccc(NC(=O)c3n[nH]c4ccc(C)cc43)cc2F)n1 ZINC000328591436 206230274 /nfs/dbraw/zinc/23/02/74/206230274.db2.gz VCOSWSNGXLXJEH-UHFFFAOYSA-N 0 0 382.420 4.820 50 0 GJAARN CCc1ccc2oc(C(=O)Nc3cccc(S(=O)(=O)C(F)F)c3)c(C)c2c1 ZINC000334162148 206256113 /nfs/dbraw/zinc/25/61/13/206256113.db2.gz KVIULJLUGDVXEB-UHFFFAOYSA-N 0 0 393.411 4.552 50 0 GJAARN COc1cccc(-c2nsc(NC(=O)c3cc(Cl)ccc3Cl)n2)c1 ZINC000102911018 206251237 /nfs/dbraw/zinc/25/12/37/206251237.db2.gz UEWGMAFVSIHJCI-UHFFFAOYSA-N 0 0 380.256 4.773 50 0 GJAARN CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)n1cccc1)c1nc2ccccc2[nH]1 ZINC000334160732 206253791 /nfs/dbraw/zinc/25/37/91/206253791.db2.gz LETXEFIBVVVPKP-SNRMKQJTSA-N 0 0 384.549 4.562 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000036395105 206264064 /nfs/dbraw/zinc/26/40/64/206264064.db2.gz SJJYNMSRRBDJBZ-DKSSEZFCSA-N 0 0 396.911 4.574 50 0 GJAARN Cc1oc2c(ccc3c2CN(Cc2ccccn2)CO3)c(=O)c1-c1ccccc1 ZINC000054313351 206278682 /nfs/dbraw/zinc/27/86/82/206278682.db2.gz MTQJQSWQUPQXDI-UHFFFAOYSA-N 0 0 384.435 4.516 50 0 biogenic GJAARN COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1 ZINC000239593135 206280025 /nfs/dbraw/zinc/28/00/25/206280025.db2.gz DQSDXVARSBYISS-LBPRGKRZSA-N 0 0 388.261 4.565 50 0 GJAARN CCc1c(OCC(=O)Nc2cccc3ccccc32)c(=O)ccn1CCC(C)C ZINC000263587873 206288914 /nfs/dbraw/zinc/28/89/14/206288914.db2.gz MDLYSJYBURCBFS-UHFFFAOYSA-N 0 0 392.499 4.628 50 0 GJAARN COC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3)cc21 ZINC000000623953 206290867 /nfs/dbraw/zinc/29/08/67/206290867.db2.gz IJJDQIWXMXOXIG-UHFFFAOYSA-N 0 0 389.201 4.510 50 0 GJAARN COc1ccc(-c2cc(C(=O)OCc3ccco3)c3ccccc3n2)cc1OC ZINC000001000381 206291047 /nfs/dbraw/zinc/29/10/47/206291047.db2.gz DMXOKHJLBHVKEW-UHFFFAOYSA-N 0 0 389.407 4.869 50 0 biogenic GJAARN Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NC[C@H]2CCCO2)cc1 ZINC000001447665 206291210 /nfs/dbraw/zinc/29/12/10/206291210.db2.gz UCZGDKZOAXORRK-LJQANCHMSA-N 0 0 388.446 4.818 50 0 GJAARN COc1ccc(-c2noc(-c3cccn3Cc3ccccc3C)n2)cc1OC ZINC000263619498 206291292 /nfs/dbraw/zinc/29/12/92/206291292.db2.gz YXMQHPFUFXYVOS-UHFFFAOYSA-N 0 0 375.428 4.579 50 0 GJAARN COc1ccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)cc1OC ZINC000015729355 206296242 /nfs/dbraw/zinc/29/62/42/206296242.db2.gz LWHIVEQCPYCPBI-UHFFFAOYSA-N 0 0 395.455 4.974 50 0 GJAARN CCOc1c2cc(C(=O)OC)ccc2oc1-c1coc2ccc(C(=O)OC)cc12 ZINC000016740612 206297353 /nfs/dbraw/zinc/29/73/53/206297353.db2.gz GJYKLKJFVZEHCX-UHFFFAOYSA-N 0 0 394.379 4.818 50 0 biogenic GJAARN Cc1nn(C)c(Cl)c1/C=C\C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000096401773 206300777 /nfs/dbraw/zinc/30/07/77/206300777.db2.gz BMHGFBAOSMFTHG-YAINUAMHSA-N 0 0 375.875 4.582 50 0 GJAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1cnn(Cc2ccccc2Cl)c1 ZINC000096931048 206302201 /nfs/dbraw/zinc/30/22/01/206302201.db2.gz JFOHEQQVJCIRBW-GIJQJNRQSA-N 0 0 398.249 4.583 50 0 GJAARN CC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000009164698 206306597 /nfs/dbraw/zinc/30/65/97/206306597.db2.gz YFVDBPHHRODQMA-UHFFFAOYSA-N 0 0 384.907 4.847 50 0 GJAARN CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 ZINC000009137466 206306920 /nfs/dbraw/zinc/30/69/20/206306920.db2.gz FGWYWMPZXJAKBJ-UHFFFAOYSA-N 0 0 380.488 4.661 50 0 GJAARN O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(=O)c1ccccc1)c1ccco1 ZINC000000631496 206309453 /nfs/dbraw/zinc/30/94/53/206309453.db2.gz ROSIOVJMTFPOKI-GOSISDBHSA-N 0 0 389.238 4.637 50 0 GJAARN CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000628936 206309564 /nfs/dbraw/zinc/30/95/64/206309564.db2.gz MTQVEYDTVBFUJZ-UHFFFAOYSA-N 0 0 393.295 4.698 50 0 GJAARN CCSc1ccc2nc(-c3ccc(I)cc3)cn2c1 ZINC000000633513 206310500 /nfs/dbraw/zinc/31/05/00/206310500.db2.gz UGMIPRCCTPFMNU-UHFFFAOYSA-N 0 0 380.254 4.718 50 0 GJAARN Brc1cc(Br)c(Br)cc1Br ZINC000000638920 206311035 /nfs/dbraw/zinc/31/10/35/206311035.db2.gz QCKHVNQHBOGZER-UHFFFAOYSA-N 0 0 393.698 4.737 50 0 GJAARN COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1Cl ZINC000000641801 206311269 /nfs/dbraw/zinc/31/12/69/206311269.db2.gz FEJFCMNMVCCEMO-UHFFFAOYSA-N 0 0 393.295 4.840 50 0 GJAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000000648658 206311849 /nfs/dbraw/zinc/31/18/49/206311849.db2.gz FMKNCMJYVMQASZ-UHFFFAOYSA-N 0 0 382.467 4.868 50 0 GJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1 ZINC000000649872 206312341 /nfs/dbraw/zinc/31/23/41/206312341.db2.gz AFPAZKLLBZGFHK-UHFFFAOYSA-N 0 0 386.908 4.658 50 0 GJAARN COc1cccc(C(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)c1 ZINC000000661347 206312655 /nfs/dbraw/zinc/31/26/55/206312655.db2.gz LEBKXNJLDQALON-UHFFFAOYSA-N 0 0 390.464 4.794 50 0 GJAARN Cc1cc(F)ccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000000661148 206313294 /nfs/dbraw/zinc/31/32/94/206313294.db2.gz QGRUCVADMOKNOA-UHFFFAOYSA-N 0 0 378.432 4.640 50 0 GJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 ZINC000000658128 206313713 /nfs/dbraw/zinc/31/37/13/206313713.db2.gz MOWWRHVSTOOEOG-OAHLLOKOSA-N 0 0 386.542 4.657 50 0 GJAARN Cc1ccccc1C(=O)NC(=S)Nc1c(C)cc(Br)cc1C ZINC000000669811 206314214 /nfs/dbraw/zinc/31/42/14/206314214.db2.gz OATXHOMUSPOYPO-UHFFFAOYSA-N 0 0 377.307 4.501 50 0 GJAARN COc1ccc(-c2nc(NCCc3ccc(OC)c(OC)c3)sc2C)cc1 ZINC000000667838 206314822 /nfs/dbraw/zinc/31/48/22/206314822.db2.gz CMGQYPBGGYFNOP-UHFFFAOYSA-N 0 0 384.501 4.799 50 0 GJAARN COC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 ZINC000000677540 206315062 /nfs/dbraw/zinc/31/50/62/206315062.db2.gz UHQSIQGEHJXZEZ-ZANVPECISA-N 0 0 388.316 4.553 50 0 GJAARN COc1cccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 ZINC000000674717 206315640 /nfs/dbraw/zinc/31/56/40/206315640.db2.gz OCKJSKGCHDDCQJ-UHFFFAOYSA-N 0 0 392.293 4.907 50 0 GJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(C(F)(F)F)c1)CCC3 ZINC000000705862 206317769 /nfs/dbraw/zinc/31/77/69/206317769.db2.gz KFYYMKJMBVLJNL-UHFFFAOYSA-N 0 0 377.391 4.638 50 0 GJAARN CC(=O)CSc1nc2scc(-c3ccc(C)o3)c2c(=O)n1-c1ccccc1 ZINC000000719621 206319000 /nfs/dbraw/zinc/31/90/00/206319000.db2.gz CYHZOQWGHBXPCW-UHFFFAOYSA-N 0 0 396.493 4.697 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CC[C@H](C)C2 ZINC000000715716 206319670 /nfs/dbraw/zinc/31/96/70/206319670.db2.gz UAZVEPLHXAFYAZ-JTQLQIEISA-N 0 0 379.428 4.580 50 0 GJAARN COc1ccc(N[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000000808669 206322684 /nfs/dbraw/zinc/32/26/84/206322684.db2.gz 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/nfs/dbraw/zinc/32/45/02/206324502.db2.gz JYFNCZIZBCERDI-UHFFFAOYSA-N 0 0 389.495 4.585 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000843790 206326295 /nfs/dbraw/zinc/32/62/95/206326295.db2.gz KHTNDSSAHWDSJF-JTQLQIEISA-N 0 0 383.662 4.638 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1Br ZINC000000834727 206326732 /nfs/dbraw/zinc/32/67/32/206326732.db2.gz KOHUBAPPFGLMLS-UHFFFAOYSA-N 0 0 382.279 4.556 50 0 GJAARN COc1ccccc1CNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000854704 206327598 /nfs/dbraw/zinc/32/75/98/206327598.db2.gz MUYNFYRRGZQVIF-UHFFFAOYSA-N 0 0 391.254 4.895 50 0 GJAARN Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc3c4c(cccc42)CC3)cc1 ZINC000000855047 206327686 /nfs/dbraw/zinc/32/76/86/206327686.db2.gz IWQFVVUFLZSCCZ-JOCHJYFZSA-N 0 0 395.549 4.683 50 0 GJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1 ZINC000009625377 206334142 /nfs/dbraw/zinc/33/41/42/206334142.db2.gz SDNBICDWUODTMX-UHFFFAOYSA-N 0 0 394.500 4.894 50 0 GJAARN 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O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccco1 ZINC000001212786 206368107 /nfs/dbraw/zinc/36/81/07/206368107.db2.gz CMMDLOHSMNJHBA-UHFFFAOYSA-N 0 0 397.843 4.868 50 0 GJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccccc1I ZINC000001228886 206368823 /nfs/dbraw/zinc/36/88/23/206368823.db2.gz PGEZUAIOFQHRKT-UHFFFAOYSA-N 0 0 399.231 4.795 50 0 GJAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1cccc(F)c1 ZINC000001249017 206370188 /nfs/dbraw/zinc/37/01/88/206370188.db2.gz OEGZOGOBQFASDL-UHFFFAOYSA-N 0 0 391.518 4.700 50 0 GJAARN CCCOC(=O)c1cccc(Nc2ncnc3ccc(Br)cc32)c1 ZINC000001778612 206391066 /nfs/dbraw/zinc/39/10/66/206391066.db2.gz STRDJFLGBASYPX-UHFFFAOYSA-N 0 0 386.249 4.703 50 0 GJAARN CCCOc1ccc(-c2csc(NC(=O)COc3ccccc3C)n2)cc1 ZINC000001916367 206394612 /nfs/dbraw/zinc/39/46/12/206394612.db2.gz VNBRMEPKQBLGSZ-UHFFFAOYSA-N 0 0 382.485 4.925 50 0 GJAARN Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3Cl)n2c2ccccc12 ZINC000001924444 206394710 /nfs/dbraw/zinc/39/47/10/206394710.db2.gz TZXZUUTXCZTSTF-ZDUSSCGKSA-N 0 0 396.903 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ZINC000015681399 207055150 /nfs/dbraw/zinc/05/51/50/207055150.db2.gz OLZUMJXAGFBHPS-SFHVURJKSA-N 0 0 384.483 4.771 50 0 GJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1Cc1cccc(F)c1 ZINC000015680333 207055171 /nfs/dbraw/zinc/05/51/71/207055171.db2.gz KLEHFKPHOBWRCN-UHFFFAOYSA-N 0 0 388.464 4.642 50 0 GJAARN CCCCn1nc(SC)n2c1nc1c(c2=O)C(CC)(CC)Cc2ccccc2-1 ZINC000015839066 207063617 /nfs/dbraw/zinc/06/36/17/207063617.db2.gz PGSDCUBSOOEVHO-UHFFFAOYSA-N 0 0 396.560 4.694 50 0 GJAARN C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000015832073 207063933 /nfs/dbraw/zinc/06/39/33/207063933.db2.gz LYDOLFCJMZLRLZ-AWEZNQCLSA-N 0 0 384.863 4.655 50 0 GJAARN COc1ccc(CC(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)cc1 ZINC000015863584 207064842 /nfs/dbraw/zinc/06/48/42/207064842.db2.gz MKQBFQDCMVIKJS-UHFFFAOYSA-N 0 0 399.494 4.846 50 0 GJAARN CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1cccc(C)c1)c1ccccc1 ZINC000015940918 207068928 /nfs/dbraw/zinc/06/89/28/207068928.db2.gz IKNBBSWXWYRAOD-XMMPIXPASA-N 0 0 386.495 4.796 50 0 GJAARN Cc1cccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)c1C ZINC000015734745 207058836 /nfs/dbraw/zinc/05/88/36/207058836.db2.gz ZPDQLBXEQNTDEB-UHFFFAOYSA-N 0 0 392.528 4.677 50 0 GJAARN Cc1c(C[NH2+]Cc2cccs2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000015777002 207061438 /nfs/dbraw/zinc/06/14/38/207061438.db2.gz MXUYOKQXKYHPSJ-UHFFFAOYSA-N 0 0 382.529 4.820 50 0 GJAARN O=C(CSc1nc2ccccc2s1)N[C@H]1CCSc2ccc(F)cc21 ZINC000016110443 207073468 /nfs/dbraw/zinc/07/34/68/207073468.db2.gz GMJRUTOEIAMXQV-ZDUSSCGKSA-N 0 0 390.530 4.881 50 0 GJAARN CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(-c4ccccc4)cc3)oc21 ZINC000017130862 207085633 /nfs/dbraw/zinc/08/56/33/207085633.db2.gz YQVZIWWCMIKZDC-LCUIJRPUSA-N 0 0 384.435 4.830 50 0 GJAARN Cc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1 ZINC000017135390 207085942 /nfs/dbraw/zinc/08/59/42/207085942.db2.gz IKWOPIQOTHNSQF-UHFFFAOYSA-N 0 0 376.464 4.547 50 0 GJAARN Fc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200389 207086264 /nfs/dbraw/zinc/08/62/64/207086264.db2.gz OCRXAYBBQHVOJI-UHFFFAOYSA-N 0 0 388.450 4.689 50 0 GJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CC3CCCC3)cc2)n1 ZINC000017013035 207081707 /nfs/dbraw/zinc/08/17/07/207081707.db2.gz PSESPPHEEBURMM-UHFFFAOYSA-N 0 0 379.508 4.648 50 0 GJAARN COC(=O)c1cc(C)sc1NC(=S)Nc1cc(C(C)(C)C)ccc1O ZINC000017077460 207082280 /nfs/dbraw/zinc/08/22/80/207082280.db2.gz ALZLFFQZZLYQDI-UHFFFAOYSA-N 0 0 378.519 4.655 50 0 GJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(N)=O)C1 ZINC000017080031 207084057 /nfs/dbraw/zinc/08/40/57/207084057.db2.gz MRDAKJCJZCSCQE-CYBMUJFWSA-N 0 0 391.581 4.842 50 0 GJAARN Cc1cc(C)c2nc(Nc3nc(-c4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2c1 ZINC000017832035 207090445 /nfs/dbraw/zinc/09/04/45/207090445.db2.gz WYQPNUOOJOEWDT-UHFFFAOYSA-N 0 0 391.862 4.702 50 0 GJAARN O=C(Oc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000018115308 207092532 /nfs/dbraw/zinc/09/25/32/207092532.db2.gz DLDZDPWRDUJTEJ-UHFFFAOYSA-N 0 0 384.284 4.513 50 0 GJAARN CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 ZINC000017247874 207087811 /nfs/dbraw/zinc/08/78/11/207087811.db2.gz YUDRHXUEHBDJBL-UHFFFAOYSA-N 0 0 376.378 4.647 50 0 GJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)N(Cc1ccccc1F)C1CC1 ZINC000018956709 207099328 /nfs/dbraw/zinc/09/93/28/207099328.db2.gz ZSSSGCPXFLPJCP-UHFFFAOYSA-N 0 0 389.883 4.639 50 0 GJAARN CC(C)(C)N[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl ZINC000019315931 207114209 /nfs/dbraw/zinc/11/42/09/207114209.db2.gz GRNHCOSBGGDGMJ-AWEZNQCLSA-N 0 0 379.759 4.798 50 0 GJAARN C[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000019600721 207144517 /nfs/dbraw/zinc/14/45/17/207144517.db2.gz HWWQNMJUGMHYOM-SFHVURJKSA-N 0 0 392.543 4.816 50 0 GJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccccc2)CO1 ZINC000019882445 207168055 /nfs/dbraw/zinc/16/80/55/207168055.db2.gz DWGORMXXHWHMFW-UHFFFAOYSA-N 0 0 383.875 4.794 50 0 GJAARN CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NC[C@@H]1CCCO1)n2C ZINC000019894340 207168381 /nfs/dbraw/zinc/16/83/81/207168381.db2.gz HDKJMDQOPNYABV-SFHVURJKSA-N 0 0 396.918 4.970 50 0 GJAARN CCCC[C@@H](CC)CNC(=O)/C(=C\c1ccc(OCC)cc1)n1ccccc1=O ZINC000019809069 207162536 /nfs/dbraw/zinc/16/25/36/207162536.db2.gz ODOCTFIQKHRJAD-ACXJOVJBSA-N 0 0 396.531 4.578 50 0 GJAARN c1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)nc1 ZINC000019810735 207162875 /nfs/dbraw/zinc/16/28/75/207162875.db2.gz MMQMBUPFCYDOMY-RUZDIDTESA-N 0 0 381.479 4.646 50 0 GJAARN COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000019833817 207164295 /nfs/dbraw/zinc/16/42/95/207164295.db2.gz ALTPZJDOUFZYFT-SIKLNZKXSA-N 0 0 391.858 4.986 50 0 GJAARN Cc1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)cc1 ZINC000019827359 207164875 /nfs/dbraw/zinc/16/48/75/207164875.db2.gz ZGDOQDUJGKSEQT-UHFFFAOYSA-N 0 0 392.875 4.872 50 0 GJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cc(F)ccc3F)c12 ZINC000020283096 207185656 /nfs/dbraw/zinc/18/56/56/207185656.db2.gz CVGUMZXQRICEJL-UHFFFAOYSA-N 0 0 378.382 4.568 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1)c1ccccc1 ZINC000020509691 207199495 /nfs/dbraw/zinc/19/94/95/207199495.db2.gz OEODLKJIVNYVCD-IBGZPJMESA-N 0 0 389.842 4.909 50 0 GJAARN Cc1ccc([C@@H](CC(=O)NC2CCCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000020561788 207203504 /nfs/dbraw/zinc/20/35/04/207203504.db2.gz RMMFHQQGEKXXTA-HSZRJFAPSA-N 0 0 390.527 4.921 50 0 GJAARN Cc1ccc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3ccc(C)cc3C)n2)c(C)c1 ZINC000020617295 207207246 /nfs/dbraw/zinc/20/72/46/207207246.db2.gz HREWOCLEQWONHE-SFHVURJKSA-N 0 0 390.487 4.569 50 0 GJAARN CN(Cc1csc(-c2ccccc2)n1)Cc1nc(CCc2ccccc2)no1 ZINC000020780511 207214482 /nfs/dbraw/zinc/21/44/82/207214482.db2.gz DZGLFHAOOHGREV-UHFFFAOYSA-N 0 0 390.512 4.610 50 0 GJAARN COc1cc([C@@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)ccc1O ZINC000020851381 207215466 /nfs/dbraw/zinc/21/54/66/207215466.db2.gz VEOGJBJZTAQPHQ-AWEZNQCLSA-N 0 0 398.256 4.791 50 0 GJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccccc2OC)cc1 ZINC000020898677 207217559 /nfs/dbraw/zinc/21/75/59/207217559.db2.gz VGFSKXSCBAYPEG-NRFANRHFSA-N 0 0 393.512 4.526 50 0 GJAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3)n2)cc1 ZINC000020899972 207217970 /nfs/dbraw/zinc/21/79/70/207217970.db2.gz ASLNGDVKVVAENM-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN O=C(Nc1ccccc1Cl)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980257 207221210 /nfs/dbraw/zinc/22/12/10/207221210.db2.gz DSJCKOHLRAXSBN-UHFFFAOYSA-N 0 0 380.810 4.708 50 0 GJAARN COc1cccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)c1 ZINC000020978875 207221540 /nfs/dbraw/zinc/22/15/40/207221540.db2.gz JEFNBGMRMYPUEJ-UHFFFAOYSA-N 0 0 386.473 4.583 50 0 GJAARN COc1cc(OC)c(NC(=O)NCCc2csc3c2CCCC3)cc1Cl ZINC000021088150 207225914 /nfs/dbraw/zinc/22/59/14/207225914.db2.gz YVJHVKIWZCCERK-UHFFFAOYSA-N 0 0 394.924 4.662 50 0 GJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c(Cl)c1 ZINC000021104393 207226061 /nfs/dbraw/zinc/22/60/61/207226061.db2.gz WDPLRRNHOPTKDE-HXUWFJFHSA-N 0 0 381.838 4.949 50 0 GJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Br)cc2)n1-c1ccccc1 ZINC000021108345 207226145 /nfs/dbraw/zinc/22/61/45/207226145.db2.gz AMCVXHRUIUUJQA-SFHVURJKSA-N 0 0 380.245 4.615 50 0 GJAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)CCc2ccccc2)cc1 ZINC000021155474 207226821 /nfs/dbraw/zinc/22/68/21/207226821.db2.gz AFWOYHQSYOAGQG-UHFFFAOYSA-N 0 0 398.510 4.546 50 0 GJAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c(-c4ccccc4)csc32)cc1OC ZINC000021157614 207226995 /nfs/dbraw/zinc/22/69/95/207226995.db2.gz OQHQRQDIVOFLRM-OAHLLOKOSA-N 0 0 395.480 4.915 50 0 GJAARN Cc1cc(-n2ccnc(NC[C@H](C)c3ccccc3)c2=O)ccc1Br ZINC000021537019 207231445 /nfs/dbraw/zinc/23/14/45/207231445.db2.gz YADDLSHHQHFJSW-HNNXBMFYSA-N 0 0 398.304 4.519 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000021625106 207233204 /nfs/dbraw/zinc/23/32/04/207233204.db2.gz VACMCYHOGPVMTB-OAQYLSRUSA-N 0 0 395.890 4.571 50 0 GJAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)s1 ZINC000021716344 207235184 /nfs/dbraw/zinc/23/51/84/207235184.db2.gz XHXUEFVIJOJYHU-UHFFFAOYSA-N 0 0 394.544 4.726 50 0 GJAARN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)on2)cc1OC ZINC000021719924 207236808 /nfs/dbraw/zinc/23/68/08/207236808.db2.gz WVOHSESDEVPNHJ-GOSISDBHSA-N 0 0 396.491 4.542 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 ZINC000021788014 207237394 /nfs/dbraw/zinc/23/73/94/207237394.db2.gz YVUWHWUZESVQEM-GOSISDBHSA-N 0 0 387.867 4.748 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)no2)cc1 ZINC000021800585 207237482 /nfs/dbraw/zinc/23/74/82/207237482.db2.gz SDGUPVQNRDVJCB-INIZCTEOSA-N 0 0 379.460 4.883 50 0 GJAARN Cc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)c1 ZINC000021787687 207237677 /nfs/dbraw/zinc/23/76/77/207237677.db2.gz GAJZFFPQLZFGJT-UHFFFAOYSA-N 0 0 385.423 4.730 50 0 GJAARN Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)n2)s1 ZINC000021806082 207237823 /nfs/dbraw/zinc/23/78/23/207237823.db2.gz DLLNQHIOFBVHHY-UHFFFAOYSA-N 0 0 397.481 4.551 50 0 GJAARN COc1ccc(-n2c(C)c(C)c3c4nc(-c5cccc(C)c5)nn4cnc32)cc1 ZINC000021801326 207238030 /nfs/dbraw/zinc/23/80/30/207238030.db2.gz XIBWKFIEUMIGIR-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)cc(N(C)C)n1 ZINC000021795403 207238506 /nfs/dbraw/zinc/23/85/06/207238506.db2.gz CHFKWCCSWVZGFA-UHFFFAOYSA-N 0 0 390.491 4.855 50 0 GJAARN Cc1cc(Cl)ccc1Nc1nc(Nc2ccc(F)cc2)nc2c1cnn2C ZINC000021873446 207240079 /nfs/dbraw/zinc/24/00/79/207240079.db2.gz HUFXHBUCWSCXTR-UHFFFAOYSA-N 0 0 382.830 4.951 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)cc1 ZINC000021890517 207241084 /nfs/dbraw/zinc/24/10/84/207241084.db2.gz DHMJUDZEJGJCDN-MRXNPFEDSA-N 0 0 389.455 4.763 50 0 GJAARN O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000022088226 207245928 /nfs/dbraw/zinc/24/59/28/207245928.db2.gz VUJJATLOYKAHNI-UHFFFAOYSA-N 0 0 387.361 4.512 50 0 GJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)nc1 ZINC000022326944 207252048 /nfs/dbraw/zinc/25/20/48/207252048.db2.gz VZSDAGLFSOILKE-UHFFFAOYSA-N 0 0 396.878 4.562 50 0 GJAARN O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1cccc(Cl)c1 ZINC000022458428 207253281 /nfs/dbraw/zinc/25/32/81/207253281.db2.gz MQXINQMLECCTNY-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3cccs3)no2)c1 ZINC000022459700 207253381 /nfs/dbraw/zinc/25/33/81/207253381.db2.gz RFNFNYCTECAMHN-UHFFFAOYSA-N 0 0 377.425 4.726 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021944501 207243443 /nfs/dbraw/zinc/24/34/43/207243443.db2.gz RFHKSKJCJBOCKP-UHFFFAOYSA-N 0 0 386.499 4.988 50 0 biogenic GJAARN CC(=O)N1N=C(c2cccc3ccccc32)O[C@H]1c1cc(C)nc2ccccc21 ZINC000021941370 207243601 /nfs/dbraw/zinc/24/36/01/207243601.db2.gz QLHWSPBTBQJDTG-DEOSSOPVSA-N 0 0 381.435 4.936 50 0 GJAARN COc1ccc(CN(C)C(=O)c2cccnc2Sc2ccccc2)c(OC)c1 ZINC000022505464 207255375 /nfs/dbraw/zinc/25/53/75/207255375.db2.gz PPBZHCRHVFTSCE-UHFFFAOYSA-N 0 0 394.496 4.522 50 0 GJAARN Cc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022502188 207255561 /nfs/dbraw/zinc/25/55/61/207255561.db2.gz WGWIVGQXOLGXMF-UHFFFAOYSA-N 0 0 381.304 4.730 50 0 GJAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000022596794 207256381 /nfs/dbraw/zinc/25/63/81/207256381.db2.gz IMQDKOPQBUXYTH-UHFFFAOYSA-N 0 0 386.451 4.619 50 0 GJAARN CC[C@H](C)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(Cl)c1 ZINC000022651040 207257760 /nfs/dbraw/zinc/25/77/60/207257760.db2.gz YDMXJDIAIQSRNM-QKKBWIMNSA-N 0 0 387.907 4.877 50 0 GJAARN Cc1sc2nc(-c3ccccn3)nc(NCCCO)c2c1-c1ccccc1 ZINC000022796935 207260948 /nfs/dbraw/zinc/26/09/48/207260948.db2.gz KWOWJFNIJQWAFT-UHFFFAOYSA-N 0 0 376.485 4.523 50 0 GJAARN CC(C)c1ccc(CN2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000022802662 207261273 /nfs/dbraw/zinc/26/12/73/207261273.db2.gz MCMBNVLGFJEKHO-KRWDZBQOSA-N 0 0 396.560 4.800 50 0 GJAARN CCC(CC)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000023318590 207273513 /nfs/dbraw/zinc/27/35/13/207273513.db2.gz CFOMYKRVFFCWGR-UHFFFAOYSA-N 0 0 376.456 4.797 50 0 GJAARN COc1cc(OC)cc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)c1 ZINC000023332553 207276112 /nfs/dbraw/zinc/27/61/12/207276112.db2.gz RWZRZWDFKGBYJA-HSZRJFAPSA-N 0 0 391.442 4.631 50 0 GJAARN Cc1noc(C(C)C)c1C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000023012535 207267556 /nfs/dbraw/zinc/26/75/56/207267556.db2.gz COJZNVLYDKZKQR-UHFFFAOYSA-N 0 0 382.489 4.917 50 0 GJAARN CCOc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000023012150 207267731 /nfs/dbraw/zinc/26/77/31/207267731.db2.gz JZGQWYMDTGXDDX-UHFFFAOYSA-N 0 0 375.428 4.982 50 0 GJAARN CN(Cc1ccc(Cl)s1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000023841088 207282691 /nfs/dbraw/zinc/28/26/91/207282691.db2.gz VJASNHRGRPNNDO-UHFFFAOYSA-N 0 0 391.953 4.615 50 0 GJAARN COc1cccc(CN(C)Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)c1 ZINC000012208315 207286287 /nfs/dbraw/zinc/28/62/87/207286287.db2.gz BCTWPWMZGUHHIE-UHFFFAOYSA-N 0 0 380.488 4.916 50 0 GJAARN COc1ccc([C@@H](CNC(=O)Cc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000023573146 207279893 /nfs/dbraw/zinc/27/98/93/207279893.db2.gz UTHRXVHSYWWDKU-JOCHJYFZSA-N 0 0 384.479 4.667 50 0 GJAARN c1cn(-c2ccc(CNc3ncnc4sc(-c5ccccc5)cc43)cn2)cn1 ZINC000025043712 207298644 /nfs/dbraw/zinc/29/86/44/207298644.db2.gz CKVBVLIBYHXMEM-UHFFFAOYSA-N 0 0 384.468 4.551 50 0 GJAARN CC(=O)c1ccc(-c2ccc(C(=O)NCCOc3ccc(Cl)cc3)o2)cc1 ZINC000024275777 207291024 /nfs/dbraw/zinc/29/10/24/207291024.db2.gz QOSRROTXWPRAID-UHFFFAOYSA-N 0 0 383.831 4.611 50 0 GJAARN O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccs1)Cc1cccs1 ZINC000024463825 207292506 /nfs/dbraw/zinc/29/25/06/207292506.db2.gz BUZJGTGQGYKGDO-SOFGYWHQSA-N 0 0 383.494 4.781 50 0 GJAARN O=C(Nc1cccc(-c2nnco2)c1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000024741695 207294371 /nfs/dbraw/zinc/29/43/71/207294371.db2.gz NSWXULBLWIRWCH-UHFFFAOYSA-N 0 0 399.454 4.579 50 0 GJAARN Cc1csc(=O)n1CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000024770065 207294940 /nfs/dbraw/zinc/29/49/40/207294940.db2.gz ABIFMYTZXJCIIK-UHFFFAOYSA-N 0 0 392.402 4.543 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C3CC3)c3cnn(C(C)C)c3n2)cc1 ZINC000024715970 207295122 /nfs/dbraw/zinc/29/51/22/207295122.db2.gz VMRMQSVGVUGXSJ-MRXNPFEDSA-N 0 0 376.504 4.858 50 0 GJAARN O=C(c1cccc(CSc2cc(Cl)ccc2Cl)c1)N1CCOCC1 ZINC000025969626 207307661 /nfs/dbraw/zinc/30/76/61/207307661.db2.gz AEPWSSMYNWANDR-UHFFFAOYSA-N 0 0 382.312 4.758 50 0 GJAARN CCOc1ccccc1NC(=O)N1CCC(Cn2c(C)nc3ccccc32)CC1 ZINC000038536090 207308406 /nfs/dbraw/zinc/30/84/06/207308406.db2.gz VTIGDBZTRYJPBO-UHFFFAOYSA-N 0 0 392.503 4.688 50 0 GJAARN CCOc1cc2c(cc1NC(=O)Cc1nc(-c3cccs3)oc1C)O[C@H](C)C2 ZINC000025073480 207300657 /nfs/dbraw/zinc/30/06/57/207300657.db2.gz KVFDEXJLQHWEHO-GFCCVEGCSA-N 0 0 398.484 4.615 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2cc3ccccc3o2)cc1OC ZINC000025617110 207304879 /nfs/dbraw/zinc/30/48/79/207304879.db2.gz HBZXCCGHAMTTIK-IBGZPJMESA-N 0 0 379.456 4.746 50 0 GJAARN CC(=O)Nc1ccc(-c2ccsc2)cc1NC(=O)NCCc1ccccc1 ZINC000038678900 207314701 /nfs/dbraw/zinc/31/47/01/207314701.db2.gz DAVOYKCAQICRRY-UHFFFAOYSA-N 0 0 379.485 4.738 50 0 GJAARN O=C(Nc1ccccc1NC(=O)C1(c2cccs2)CCCC1)c1ccccn1 ZINC000038678768 207314795 /nfs/dbraw/zinc/31/47/95/207314795.db2.gz DZIYYZIWQLTDTE-UHFFFAOYSA-N 0 0 391.496 4.846 50 0 GJAARN Cc1c2cc(F)ccc2oc1C(=O)N(Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000028250963 207337905 /nfs/dbraw/zinc/33/79/05/207337905.db2.gz BAVAWPVFPKLAIS-KRWDZBQOSA-N 0 0 385.410 4.841 50 0 GJAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028293748 207339072 /nfs/dbraw/zinc/33/90/72/207339072.db2.gz HTJFTBKDTQRZPB-HNNXBMFYSA-N 0 0 384.838 4.875 50 0 GJAARN C[C@@H](Cc1ccccc1Cl)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000040112105 207340870 /nfs/dbraw/zinc/34/08/70/207340870.db2.gz JQSANMWMOBZXSW-LBPRGKRZSA-N 0 0 389.883 4.688 50 0 GJAARN O=C(NCCc1cccs1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000040145050 207349433 /nfs/dbraw/zinc/34/94/33/207349433.db2.gz YWTIVYVTLOSDDO-UHFFFAOYSA-N 0 0 383.698 4.618 50 0 GJAARN O=C(c1sc2ccccc2c1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029115139 207355416 /nfs/dbraw/zinc/35/54/16/207355416.db2.gz IOHVMHXCZKAVCP-OAHLLOKOSA-N 0 0 375.852 4.908 50 0 GJAARN Cc1nc(C2(NC(=O)CCCSc3ccc(Cl)cc3)CCCCC2)no1 ZINC000029058221 207356679 /nfs/dbraw/zinc/35/66/79/207356679.db2.gz GSMDVVGFQMBKFK-UHFFFAOYSA-N 0 0 393.940 4.880 50 0 GJAARN CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCc2ccccc21 ZINC000029258782 207357327 /nfs/dbraw/zinc/35/73/27/207357327.db2.gz DZRHNNZLEFKGKK-LJQANCHMSA-N 0 0 385.891 4.580 50 0 GJAARN Cc1occc1-c1nnc(SCc2nc(C(C)C)no2)n1-c1ccccc1 ZINC000029141072 207357852 /nfs/dbraw/zinc/35/78/52/207357852.db2.gz ADAITLHJAZAWJF-UHFFFAOYSA-N 0 0 381.461 4.634 50 0 GJAARN COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cn1 ZINC000029461497 207362415 /nfs/dbraw/zinc/36/24/15/207362415.db2.gz IYJSXONBDKTUCI-UHFFFAOYSA-N 0 0 389.386 4.804 50 0 GJAARN Cc1noc(-c2ccc(C(=O)Nc3ccc(OCC(C)C)c(Cl)c3)cc2)n1 ZINC000030187835 207370093 /nfs/dbraw/zinc/37/00/93/207370093.db2.gz YBMLENUZCLKUGH-UHFFFAOYSA-N 0 0 385.851 4.986 50 0 GJAARN COc1ccc(CNC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)cc1OC ZINC000030991214 207379686 /nfs/dbraw/zinc/37/96/86/207379686.db2.gz OKSMUGFHYUSGAE-OAQYLSRUSA-N 0 0 396.512 4.663 50 0 GJAARN Cc1cc(NC(=O)[C@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)no1 ZINC000031423924 207382461 /nfs/dbraw/zinc/38/24/61/207382461.db2.gz JWEXADVOSQOKAG-NSHDSACASA-N 0 0 377.853 4.552 50 0 GJAARN COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000031697025 207385273 /nfs/dbraw/zinc/38/52/73/207385273.db2.gz FJFNOWLXEIVDJJ-STQMWFEESA-N 0 0 382.287 4.785 50 0 GJAARN Cc1nccc(-c2cccc(NC(=O)COc3ccccc3C(C)(C)C)c2)n1 ZINC000031801936 207387117 /nfs/dbraw/zinc/38/71/17/207387117.db2.gz FGPUXPBPVLEDLU-UHFFFAOYSA-N 0 0 375.472 4.767 50 0 GJAARN CCOc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OCc1cccnc1 ZINC000032062922 207389050 /nfs/dbraw/zinc/38/90/50/207389050.db2.gz JPSBAHXNXLURGY-UHFFFAOYSA-N 0 0 392.455 4.629 50 0 GJAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000032072879 207389465 /nfs/dbraw/zinc/38/94/65/207389465.db2.gz HNJNQJBYPMWPBZ-UHFFFAOYSA-N 0 0 393.830 4.733 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000032197690 207395650 /nfs/dbraw/zinc/39/56/50/207395650.db2.gz HUSIFSIWYXSHFJ-UHFFFAOYSA-N 0 0 389.480 4.971 50 0 GJAARN CC(=O)N(c1nc(/C=C/C(=O)N([C@@H](C)C2CC2)C2CC2)cs1)c1ccccc1 ZINC000032827448 207411927 /nfs/dbraw/zinc/41/19/27/207411927.db2.gz GILZLYJKOJXXRT-VOMSXAGXSA-N 0 0 395.528 4.630 50 0 GJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000032854810 207412840 /nfs/dbraw/zinc/41/28/40/207412840.db2.gz FIWXLAISUMZYIF-UHFFFAOYSA-N 0 0 395.455 4.511 50 0 GJAARN Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)ccc1Cl ZINC000032623276 207399420 /nfs/dbraw/zinc/39/94/20/207399420.db2.gz WTNYSPKUZUBQPB-LLVKDONJSA-N 0 0 392.242 4.758 50 0 GJAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3c(C)cc(C)cc3Cl)on2)cc1 ZINC000032912281 207419773 /nfs/dbraw/zinc/41/97/73/207419773.db2.gz RSNXIFSDKNIJEB-UHFFFAOYSA-N 0 0 398.846 4.716 50 0 GJAARN O=C(Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1)c1cccs1 ZINC000032961081 207425652 /nfs/dbraw/zinc/42/56/52/207425652.db2.gz QVNWWXTTYFYEGT-UHFFFAOYSA-N 0 0 379.466 4.862 50 0 GJAARN CN1c2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2Oc2ccccc2C1=O ZINC000033170920 207443101 /nfs/dbraw/zinc/44/31/01/207443101.db2.gz KBQFGPSUDARTAL-UHFFFAOYSA-N 0 0 383.407 4.803 50 0 GJAARN CCOc1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1 ZINC000033262482 207445994 /nfs/dbraw/zinc/44/59/94/207445994.db2.gz TZRHRDLQYIZNRB-UHFFFAOYSA-N 0 0 390.468 4.885 50 0 GJAARN CCOc1cccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000033267196 207447830 /nfs/dbraw/zinc/44/78/30/207447830.db2.gz GGFUYTSSACUCMM-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN CCc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc3c(c2)OCCO3)s1 ZINC000033312245 207452484 /nfs/dbraw/zinc/45/24/84/207452484.db2.gz SPJMIPVKOCKFOH-UHFFFAOYSA-N 0 0 395.484 4.781 50 0 GJAARN Cc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000033326012 207455324 /nfs/dbraw/zinc/45/53/24/207455324.db2.gz MUJPZGBJOCDXMN-GOSISDBHSA-N 0 0 393.512 4.687 50 0 GJAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1 ZINC000034717189 207473585 /nfs/dbraw/zinc/47/35/85/207473585.db2.gz DVBGWWUKJGKIIK-UHFFFAOYSA-N 0 0 382.460 4.668 50 0 GJAARN CCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)c1ccc(Cl)cc1 ZINC000034794077 207474735 /nfs/dbraw/zinc/47/47/35/207474735.db2.gz AHYCJSLASSYKSY-UHFFFAOYSA-N 0 0 385.851 4.562 50 0 GJAARN CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000034695614 207472030 /nfs/dbraw/zinc/47/20/30/207472030.db2.gz OVHWWAJOMVJMJN-SFHVURJKSA-N 0 0 390.405 4.820 50 0 GJAARN CCCC(=O)N(Cc1cc(-c2cccc(OC)c2)on1)Cc1ccc(F)cc1 ZINC000034922275 207479706 /nfs/dbraw/zinc/47/97/06/207479706.db2.gz WJGGGFQASLTVMV-UHFFFAOYSA-N 0 0 382.435 4.818 50 0 GJAARN C=Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1 ZINC000035478008 207491048 /nfs/dbraw/zinc/49/10/48/207491048.db2.gz GMHIRLVDBGDSSY-UHFFFAOYSA-N 0 0 394.474 4.936 50 0 GJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000035530345 207494685 /nfs/dbraw/zinc/49/46/85/207494685.db2.gz FYRONZSOGZNVDJ-UHFFFAOYSA-N 0 0 393.531 4.562 50 0 GJAARN COc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc(F)cc2)c1OC ZINC000036347953 207522963 /nfs/dbraw/zinc/52/29/63/207522963.db2.gz WIIMBPWVIPLWDT-JOCHJYFZSA-N 0 0 380.463 4.640 50 0 GJAARN CCc1cc(C(=O)NCc2ccccc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621741 207534204 /nfs/dbraw/zinc/53/42/04/207534204.db2.gz AZXZNJRZNVZGTP-UHFFFAOYSA-N 0 0 396.494 4.790 50 0 GJAARN COc1ccc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000036248567 207518574 /nfs/dbraw/zinc/51/85/74/207518574.db2.gz BFMSKMPCIDWUNY-KRWDZBQOSA-N 0 0 397.496 4.660 50 0 GJAARN Cc1ccc(C(=O)N2CCC[C@@H](OCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000036315233 207521035 /nfs/dbraw/zinc/52/10/35/207521035.db2.gz FHITZQGXIKKDJO-LJQANCHMSA-N 0 0 377.406 4.835 50 0 GJAARN COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O ZINC000036635955 207536834 /nfs/dbraw/zinc/53/68/34/207536834.db2.gz AUEHXPLGVMEBOR-NRFANRHFSA-N 0 0 391.398 4.541 50 0 GJAARN COc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC000040049814 207570593 /nfs/dbraw/zinc/57/05/93/207570593.db2.gz QHNHIQKODJMIHH-UHFFFAOYSA-N 0 0 379.843 4.510 50 0 GJAARN Cc1cc2nc(Sc3nnc(C)n3-c3ccc(C)cc3)c3ccccc3n2n1 ZINC000040071539 207572349 /nfs/dbraw/zinc/57/23/49/207572349.db2.gz LHDJPHINPGRRTM-UHFFFAOYSA-N 0 0 386.484 4.540 50 0 GJAARN Cc1ccc(-c2csc3[nH]c(C(Cl)=Cc4csnn4)nc(=O)c23)cc1 ZINC000040139728 207581898 /nfs/dbraw/zinc/58/18/98/207581898.db2.gz WUUJFPVIRANSMA-MLPAPPSSSA-N 0 0 386.889 4.961 50 0 GJAARN CC(C)(C)[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccs1 ZINC000040150615 207585465 /nfs/dbraw/zinc/58/54/65/207585465.db2.gz ZKXCAFPASUFKAX-SFHVURJKSA-N 0 0 385.533 4.893 50 0 GJAARN O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000040150618 207585576 /nfs/dbraw/zinc/58/55/76/207585576.db2.gz PEBBERSXKVNRLY-LJQANCHMSA-N 0 0 383.879 4.601 50 0 GJAARN COc1ccc(Br)cc1[C@H]1CC(=O)Nc2c1ncn2-c1ccccc1 ZINC000040284981 207592681 /nfs/dbraw/zinc/59/26/81/207592681.db2.gz AKFANNAAEHGRQF-OAHLLOKOSA-N 0 0 398.260 4.767 50 0 GJAARN CCNC(=O)[C@@H](C)N(c1nc(-c2ccc(C)cc2)cs1)c1ccccc1OC ZINC000040388773 207595762 /nfs/dbraw/zinc/59/57/62/207595762.db2.gz NEZAZTZSNYIXHB-MRXNPFEDSA-N 0 0 395.528 4.790 50 0 GJAARN CC(C)(C)OC(=O)Nc1cnc(-c2ccccc2)cc1I ZINC000044137743 207632297 /nfs/dbraw/zinc/63/22/97/207632297.db2.gz SRMHVFZNJSVRCQ-UHFFFAOYSA-N 0 0 396.228 4.700 50 0 GJAARN O=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1 ZINC000048458363 207702745 /nfs/dbraw/zinc/70/27/45/207702745.db2.gz DLHDSHMLJZJUPT-UHFFFAOYSA-N 0 0 392.023 4.850 50 0 GJAARN O=C(CSc1ccc(Cl)nn1)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000053711653 207725737 /nfs/dbraw/zinc/72/57/37/207725737.db2.gz ISLBGUSVCZFCIC-UHFFFAOYSA-N 0 0 396.903 4.555 50 0 GJAARN Cc1cccc(CSCC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000058225627 207771809 /nfs/dbraw/zinc/77/18/09/207771809.db2.gz ZKWIZDXWEYSAMJ-UHFFFAOYSA-N 0 0 394.540 4.974 50 0 GJAARN Cc1ccccc1SCC(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000058003074 207760645 /nfs/dbraw/zinc/76/06/45/207760645.db2.gz QHHLJNHJJIIBEZ-IBGZPJMESA-N 0 0 381.501 4.651 50 0 GJAARN CCCCCNC(=O)c1cccc(-c2cc(Oc3ccc(OC)cc3)ncn2)c1 ZINC000064578372 207804604 /nfs/dbraw/zinc/80/46/04/207804604.db2.gz FRYKNYJVQXDVNB-UHFFFAOYSA-N 0 0 391.471 4.865 50 0 biogenic GJAARN O=C(NC1CCCC1)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747422 207807476 /nfs/dbraw/zinc/80/74/76/207807476.db2.gz LRXQGAOHBIMSOT-HNNXBMFYSA-N 0 0 394.397 4.545 50 0 GJAARN COc1ccc(CNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)cc1 ZINC000064676869 207807749 /nfs/dbraw/zinc/80/77/49/207807749.db2.gz MXYWRXQGKDOMJF-UHFFFAOYSA-N 0 0 376.391 4.558 50 0 GJAARN CC(=O)Nc1cc(NC(=O)c2cccnc2SC(F)(F)F)ccc1Cl ZINC000063338076 207795052 /nfs/dbraw/zinc/79/50/52/207795052.db2.gz NGMNDCGDLQLJDG-UHFFFAOYSA-N 0 0 389.786 4.558 50 0 GJAARN COc1ccc(Cc2nc3ccc(C(=O)NCc4cccc(C)c4)cc3o2)cc1 ZINC000064968427 207823249 /nfs/dbraw/zinc/82/32/49/207823249.db2.gz MMDUYOKOFNFDLG-UHFFFAOYSA-N 0 0 386.451 4.666 50 0 GJAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)Nc1cccc(Cl)c1 ZINC000065031421 207829033 /nfs/dbraw/zinc/82/90/33/207829033.db2.gz VCRXQHUGNKUCLS-UHFFFAOYSA-N 0 0 389.842 4.968 50 0 GJAARN CCc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(OC)cc3)cn12 ZINC000065079264 207832848 /nfs/dbraw/zinc/83/28/48/207832848.db2.gz IKZKUMYWTKTUBB-UHFFFAOYSA-N 0 0 391.496 4.815 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccccc3C)CC2)cc1C ZINC000064847229 207815109 /nfs/dbraw/zinc/81/51/09/207815109.db2.gz UHVAMRYIUCHLMT-UHFFFAOYSA-N 0 0 393.531 4.562 50 0 GJAARN Cc1nc2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc2n(C(C)C)c1=O ZINC000064890379 207817466 /nfs/dbraw/zinc/81/74/66/207817466.db2.gz GKSIBFPLICGAMF-UHFFFAOYSA-N 0 0 380.835 4.656 50 0 GJAARN O=C(c1csc(-c2ccccn2)n1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000066017889 207875585 /nfs/dbraw/zinc/87/55/85/207875585.db2.gz ZVBXHPUCZUBNGH-UHFFFAOYSA-N 0 0 387.867 4.802 50 0 GJAARN O=C(Cn1cnc(-c2nc(-c3ccccc3)cs2)c1)Nc1ccc(F)cc1F ZINC000065250482 207852928 /nfs/dbraw/zinc/85/29/28/207852928.db2.gz WGOZWGDUDWQLMN-UHFFFAOYSA-N 0 0 396.422 4.591 50 0 GJAARN CCOC(=O)c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000065323340 207862849 /nfs/dbraw/zinc/86/28/49/207862849.db2.gz PNGFGEFBFUOMLA-UHFFFAOYSA-N 0 0 392.846 4.970 50 0 GJAARN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000065330704 207865695 /nfs/dbraw/zinc/86/56/95/207865695.db2.gz GULJNKHCUMESBK-CYBMUJFWSA-N 0 0 386.908 4.508 50 0 GJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000065532001 207874326 /nfs/dbraw/zinc/87/43/26/207874326.db2.gz VKODFOPMEHCURP-UHFFFAOYSA-N 0 0 382.410 4.942 50 0 GJAARN COc1ccccc1CNc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc21 ZINC000067261384 207885245 /nfs/dbraw/zinc/88/52/45/207885245.db2.gz HQOCDLJVBPDHDX-UHFFFAOYSA-N 0 0 399.429 4.704 50 0 GJAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)nc1 ZINC000067296529 207886803 /nfs/dbraw/zinc/88/68/03/207886803.db2.gz AMPGMERVFUNOIB-ROMGYVFFSA-N 0 0 391.377 4.899 50 0 GJAARN CCOCCOc1cccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)c1 ZINC000067319182 207888638 /nfs/dbraw/zinc/88/86/38/207888638.db2.gz SIWNCOQSGIEAHU-XMMPIXPASA-N 0 0 389.495 4.930 50 0 GJAARN Cc1cc(C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c(C)o1 ZINC000067562592 207894441 /nfs/dbraw/zinc/89/44/41/207894441.db2.gz WSVOEWCEFACZTB-UHFFFAOYSA-N 0 0 397.858 4.957 50 0 GJAARN Cc1c(CNC(=O)/C=C/c2cccs2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090642888 207924622 /nfs/dbraw/zinc/92/46/22/207924622.db2.gz FPWWQGKJBWSZSL-CMDGGOBGSA-N 0 0 397.500 4.901 50 0 GJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(CSCc2ccco2)CC1 ZINC000090608405 207925241 /nfs/dbraw/zinc/92/52/41/207925241.db2.gz WQERLNHXOXOGHR-UHFFFAOYSA-N 0 0 399.434 4.964 50 0 GJAARN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000070013174 207931256 /nfs/dbraw/zinc/93/12/56/207931256.db2.gz OWQVHNQAXLZHSI-GASCZTMLSA-N 0 0 388.439 4.576 50 0 GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccccc2Cl)cc1 ZINC000072328992 207995617 /nfs/dbraw/zinc/99/56/17/207995617.db2.gz KJMCXFVDDBKYJS-UHFFFAOYSA-N 0 0 383.879 4.839 50 0 GJAARN O=C1C[C@@H](c2cc(C(F)(F)F)ccc2F)c2cnn(Cc3ccco3)c2N1 ZINC000072403953 208016810 /nfs/dbraw/zinc/01/68/10/208016810.db2.gz MQTYFHJEDLFSGE-LBPRGKRZSA-N 0 0 379.313 4.806 50 0 GJAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCOCC2)cc1 ZINC000072441996 208026478 /nfs/dbraw/zinc/02/64/78/208026478.db2.gz QIVUKJDYRGWSLL-UHFFFAOYSA-N 0 0 386.451 4.671 50 0 GJAARN Nc1c(C(=O)c2cccs2)sc2c1[C@@H](c1ccccc1Cl)CC(=O)N2 ZINC000085397628 208100746 /nfs/dbraw/zinc/10/07/46/208100746.db2.gz DTLBMMFEYYRNJC-SNVBAGLBSA-N 0 0 388.901 4.750 50 0 GJAARN O=C(Nc1cc(Br)ccc1NC1CC1)c1cccc2cccnc21 ZINC000078968547 208065950 /nfs/dbraw/zinc/06/59/50/208065950.db2.gz CKKWVEYYWURPJA-UHFFFAOYSA-N 0 0 382.261 4.824 50 0 GJAARN CCc1cc(N[C@@H](C)c2ccc(-n3ccnc3C)cc2)nc(-c2ccccn2)n1 ZINC000079046629 208070984 /nfs/dbraw/zinc/07/09/84/208070984.db2.gz QBOSFYMYJHQOPO-INIZCTEOSA-N 0 0 384.487 4.768 50 0 GJAARN O=C(CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1N1CCCC1=O ZINC000079493127 208074419 /nfs/dbraw/zinc/07/44/19/208074419.db2.gz AKYPSACTZNPPRR-UHFFFAOYSA-N 0 0 395.890 4.910 50 0 GJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2O3)cc1 ZINC000079492807 208074532 /nfs/dbraw/zinc/07/45/32/208074532.db2.gz OMQXPILLGSQPRK-UHFFFAOYSA-N 0 0 389.411 4.863 50 0 GJAARN O=C(NCc1ccc(Br)s1)C1(c2ccccc2F)CCCC1 ZINC000084501852 208092005 /nfs/dbraw/zinc/09/20/05/208092005.db2.gz CFCAHTHESBUKBX-UHFFFAOYSA-N 0 0 382.298 4.778 50 0 GJAARN Cc1ccc2nc(C)cc(C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2c1 ZINC000089657506 208106790 /nfs/dbraw/zinc/10/67/90/208106790.db2.gz GCQANJQBPGDOKZ-FCHUYYIVSA-N 0 0 378.447 4.641 50 0 GJAARN O=C(N[C@H](CCCO)c1ccccc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000089826208 208110123 /nfs/dbraw/zinc/11/01/23/208110123.db2.gz MMZSDAKWUXKTFY-GUDVDZBRSA-N 0 0 378.299 4.727 50 0 GJAARN COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccc3ccccc32)cc1 ZINC000089904826 208110652 /nfs/dbraw/zinc/11/06/52/208110652.db2.gz XEZKLEQJEFTEFZ-LADGPHEKSA-N 0 0 390.483 4.752 50 0 GJAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1Cl ZINC000089929736 208112526 /nfs/dbraw/zinc/11/25/26/208112526.db2.gz SBHSZCFQSJWHBB-XOKHGSTOSA-N 0 0 386.879 4.690 50 0 GJAARN COc1ccc(CN(C)C(=O)c2[nH]c3c(c2C)c(C)ccc3C)c2cccnc12 ZINC000091381028 208116620 /nfs/dbraw/zinc/11/66/20/208116620.db2.gz HBJDNFUXZFDKKA-UHFFFAOYSA-N 0 0 387.483 4.922 50 0 GJAARN Cc1nc(C(C)C)sc1C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000091409972 208117867 /nfs/dbraw/zinc/11/78/67/208117867.db2.gz RDRJTMMPVCLZNB-UHFFFAOYSA-N 0 0 379.529 4.855 50 0 GJAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000091986823 208144822 /nfs/dbraw/zinc/14/48/22/208144822.db2.gz OLLPJRRONFSFAE-IBGZPJMESA-N 0 0 375.516 4.692 50 0 GJAARN Cc1csc(-c2ccc(NC(=O)N3CCC[C@@H]3c3c(C)n[nH]c3C)cc2)n1 ZINC000092734723 208150094 /nfs/dbraw/zinc/15/00/94/208150094.db2.gz FNUQCCQGWPEKNH-QGZVFWFLSA-N 0 0 381.505 4.827 50 0 GJAARN COCc1nc(C(=O)OCCNc2c(C(C)C)cccc2C(C)C)cs1 ZINC000095450769 208183783 /nfs/dbraw/zinc/18/37/83/208183783.db2.gz PXWCQIPMBRQXLQ-UHFFFAOYSA-N 0 0 376.522 4.805 50 0 GJAARN CC(C)c1nc2cc(NC(=O)c3cn(C(C)C)c(=O)c4ccccc34)ccc2[nH]1 ZINC000095472815 208190741 /nfs/dbraw/zinc/19/07/41/208190741.db2.gz LAUGXODQANDDSX-UHFFFAOYSA-N 0 0 388.471 4.834 50 0 GJAARN Cc1nc(C)c(-c2nn3c(nnc3-c3cccc(Cl)c3Cl)s2)s1 ZINC000095474160 208192926 /nfs/dbraw/zinc/19/29/26/208192926.db2.gz PURXYUBOWQZQKR-UHFFFAOYSA-N 0 0 382.301 4.900 50 0 GJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000095950556 208241503 /nfs/dbraw/zinc/24/15/03/208241503.db2.gz JZHSYFZRUYDIDA-KBPBESRZSA-N 0 0 384.398 4.971 50 0 GJAARN CN(CCCc1nccn1C)C(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000095511626 208214071 /nfs/dbraw/zinc/21/40/71/208214071.db2.gz KQLDCDAENOGHPW-NRFANRHFSA-N 0 0 395.934 4.687 50 0 GJAARN O=C(OC1CCCC1)c1ccc(NC(=O)N2CCC[C@H]2c2nccs2)cc1 ZINC000095530088 208228633 /nfs/dbraw/zinc/22/86/33/208228633.db2.gz QBSNICKTOAHEBV-KRWDZBQOSA-N 0 0 385.489 4.612 50 0 GJAARN CC(C)c1nnc([C@H](C)NC(=O)Nc2ccc(OCc3cccs3)cc2)o1 ZINC000095529809 208231001 /nfs/dbraw/zinc/23/10/01/208231001.db2.gz NFMLYNQLBJNFAE-ZDUSSCGKSA-N 0 0 386.477 4.716 50 0 GJAARN O=C(NCCCC[C@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000096141653 208272418 /nfs/dbraw/zinc/27/24/18/208272418.db2.gz MWHRDPBWCAHDAQ-SFHVURJKSA-N 0 0 378.476 4.701 50 0 GJAARN O=C(Nc1cc(F)c(Cl)cc1Cl)N1CCC[C@H]1c1nc(C2CC2)no1 ZINC000096149609 208276897 /nfs/dbraw/zinc/27/68/97/208276897.db2.gz WHBUUGSTUQDTDL-ZDUSSCGKSA-N 0 0 385.226 4.762 50 0 GJAARN CSCc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)ccc1F ZINC000095963027 208245649 /nfs/dbraw/zinc/24/56/49/208245649.db2.gz LKPOVFWGDJWOJL-UHFFFAOYSA-N 0 0 395.459 4.588 50 0 GJAARN COCc1nc2scc(-c3ccccc3)c2c(NC[C@@H](O)c2cccs2)n1 ZINC000095960600 208246298 /nfs/dbraw/zinc/24/62/98/208246298.db2.gz VONAPHSCVMUKJL-OAHLLOKOSA-N 0 0 397.525 4.712 50 0 GJAARN O=C(Nc1cccc(C(=O)Nc2cc(Cl)c(Cl)cn2)c1)c1cccs1 ZINC000095962663 208246666 /nfs/dbraw/zinc/24/66/66/208246666.db2.gz JWIYTPBWEKYABO-UHFFFAOYSA-N 0 0 392.267 4.955 50 0 GJAARN C[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000095964571 208247409 /nfs/dbraw/zinc/24/74/09/208247409.db2.gz JUZCITXSXCOEAS-CQSZACIVSA-N 0 0 385.483 4.708 50 0 GJAARN CCOc1ccccc1-c1csc(NC(=O)c2ncccc2C(F)(F)F)n1 ZINC000095983273 208248982 /nfs/dbraw/zinc/24/89/82/208248982.db2.gz IMLXFDHSVLTRJQ-UHFFFAOYSA-N 0 0 393.390 4.875 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cc(C)nc3ccccc32)c1 ZINC000095982835 208249151 /nfs/dbraw/zinc/24/91/51/208249151.db2.gz KCTPWXSLUUUATN-OAQYLSRUSA-N 0 0 391.471 4.929 50 0 GJAARN Cc1nc(-c2cccc(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)c2)no1 ZINC000095991396 208250153 /nfs/dbraw/zinc/25/01/53/208250153.db2.gz CFIIYEORQLBMEJ-UHFFFAOYSA-N 0 0 397.394 4.501 50 0 GJAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H]3/C=C/c3ccccc3)c2)n1 ZINC000096002285 208250460 /nfs/dbraw/zinc/25/04/60/208250460.db2.gz UFGHLSDGAOFDGW-XIQMRYHBSA-N 0 0 385.511 4.866 50 0 GJAARN Cc1cccc([C@H]2CCCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)c1 ZINC000096139847 208270567 /nfs/dbraw/zinc/27/05/67/208270567.db2.gz SVZXVRPCVHNZSG-IBGZPJMESA-N 0 0 377.488 4.533 50 0 GJAARN Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)c(C)s2)on1 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/nfs/dbraw/zinc/64/51/35/220645135.db2.gz QWPZLTSFZNCCIH-SFHVURJKSA-N 0 0 383.854 4.781 50 0 GJAARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCSc2ccccc21 ZINC000003447366 220645405 /nfs/dbraw/zinc/64/54/05/220645405.db2.gz SFMUYAVJPPZXKZ-UHFFFAOYSA-N 0 0 393.839 4.660 50 0 GJAARN Cc1cc2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)n2c2ccccc12 ZINC000003444928 220645558 /nfs/dbraw/zinc/64/55/58/220645558.db2.gz LFJMXQPIUICDNX-MRXNPFEDSA-N 0 0 394.544 4.678 50 0 GJAARN Cc1ccc(C(c2ccc(C)o2)c2cc(I)ccc2O)o1 ZINC000003846754 220667690 /nfs/dbraw/zinc/66/76/90/220667690.db2.gz RIQILYVCSSYOQI-UHFFFAOYSA-N 0 0 394.208 4.980 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1 ZINC000004070199 220676655 /nfs/dbraw/zinc/67/66/55/220676655.db2.gz WNFHFWVSEQNLLD-UHFFFAOYSA-N 0 0 383.292 4.771 50 0 GJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccc(F)cc1 ZINC000004119960 220683859 /nfs/dbraw/zinc/68/38/59/220683859.db2.gz ZXAVOMDWMGWCQC-UHFFFAOYSA-N 0 0 382.382 4.590 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)cc1OC ZINC000004146215 220686890 /nfs/dbraw/zinc/68/68/90/220686890.db2.gz IGTAVZAPGLHBIZ-LJQANCHMSA-N 0 0 378.472 4.908 50 0 GJAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000004554891 220731078 /nfs/dbraw/zinc/73/10/78/220731078.db2.gz FDJCLIHDJDUXGL-SANMLTNESA-N 0 0 399.490 4.961 50 0 GJAARN CCc1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000004664060 220743736 /nfs/dbraw/zinc/74/37/36/220743736.db2.gz XRTKIJAFSRNGKC-UHFFFAOYSA-N 0 0 397.544 4.831 50 0 GJAARN Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1F ZINC000004675819 220745516 /nfs/dbraw/zinc/74/55/16/220745516.db2.gz LXFAZXIBUIMJCD-JOCHJYFZSA-N 0 0 390.458 4.895 50 0 GJAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000004687412 220748145 /nfs/dbraw/zinc/74/81/45/220748145.db2.gz KHRAYCHTBYSOOO-XDHOZWIPSA-N 0 0 384.476 4.687 50 0 GJAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(N)=O)c(N)c32)cc1 ZINC000004746770 220760178 /nfs/dbraw/zinc/76/01/78/220760178.db2.gz SOOWZYPHALBGQG-UHFFFAOYSA-N 0 0 389.480 4.628 50 0 GJAARN CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 ZINC000004794581 220766202 /nfs/dbraw/zinc/76/62/02/220766202.db2.gz XFCXFYZMWWZMQD-GOSISDBHSA-N 0 0 396.531 4.895 50 0 GJAARN COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl ZINC000004842254 220773331 /nfs/dbraw/zinc/77/33/31/220773331.db2.gz RCYKISKQAAQNHH-NSHDSACASA-N 0 0 384.259 4.725 50 0 GJAARN Cc1ccc(N2CCN(C(=O)c3cc4cc5ccc(C)cc5nc4o3)C[C@@H]2C)cc1 ZINC000004906300 220788384 /nfs/dbraw/zinc/78/83/84/220788384.db2.gz NJWIURRXBGJOMF-SFHVURJKSA-N 0 0 399.494 4.949 50 0 GJAARN O=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccs1 ZINC000040196975 209093809 /nfs/dbraw/zinc/09/38/09/209093809.db2.gz QEDYMCJLTOTUNW-UHFFFAOYSA-N 0 0 399.878 4.869 50 0 GJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1 ZINC000004936801 220795625 /nfs/dbraw/zinc/79/56/25/220795625.db2.gz DZFAXJYQTMTBSV-UHFFFAOYSA-N 0 0 383.447 4.680 50 0 GJAARN Cc1nn2c(nc(C)c(CCC(=O)NC3CCCCC3)c2C)c1-c1ccccc1 ZINC000004935778 220796035 /nfs/dbraw/zinc/79/60/35/220796035.db2.gz QNTROSKQYIBYDS-UHFFFAOYSA-N 0 0 390.531 4.703 50 0 GJAARN Cc1cccc(OCc2nnc3sc(-c4csc5c4CCCC5)nn23)c1 ZINC000005032343 220816132 /nfs/dbraw/zinc/81/61/32/220816132.db2.gz YECXWDRTYBQBRM-UHFFFAOYSA-N 0 0 382.514 4.681 50 0 GJAARN COc1ccc(Cn2cccc2C2=N[C@@H](CSCc3ccccc3)CO2)cc1 ZINC000004970846 220802447 /nfs/dbraw/zinc/80/24/47/220802447.db2.gz QAFLTJNHJDPOKT-HXUWFJFHSA-N 0 0 392.524 4.624 50 0 GJAARN CCCCc1ccc(NC(=O)CN2c3ccccc3S[C@@H](C)CC2=O)cc1 ZINC000005052281 220820677 /nfs/dbraw/zinc/82/06/77/220820677.db2.gz FJHIXOBRGADUTN-INIZCTEOSA-N 0 0 382.529 4.885 50 0 GJAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1C ZINC000005210423 220844294 /nfs/dbraw/zinc/84/42/94/220844294.db2.gz SMZBVPJICZPPJY-OAHLLOKOSA-N 0 0 399.516 4.646 50 0 GJAARN Cc1sc2nc(C)nc(SCC(=O)Nc3cc(C(C)(C)C)no3)c2c1C ZINC000005320036 220857532 /nfs/dbraw/zinc/85/75/32/220857532.db2.gz OZWBMPRPLIJKJJ-UHFFFAOYSA-N 0 0 390.534 4.633 50 0 GJAARN CCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(OCC)c1OCC ZINC000005457797 220873148 /nfs/dbraw/zinc/87/31/48/220873148.db2.gz FHWBKNJWUAOJFH-CQSZACIVSA-N 0 0 375.440 4.513 50 0 GJAARN Cc1cc(C)cc(NC(=O)COc2ccc3c(c2)oc(=O)c2c3CCCCC2)c1 ZINC000005546998 220881823 /nfs/dbraw/zinc/88/18/23/220881823.db2.gz JDUGYLJTVFZWQV-UHFFFAOYSA-N 0 0 391.467 4.696 50 0 GJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1CCc1ccccc1 ZINC000005576695 220884635 /nfs/dbraw/zinc/88/46/35/220884635.db2.gz CINZTHPTYVAVOF-JOCHJYFZSA-N 0 0 399.421 4.720 50 0 GJAARN COc1ccc2nc(NC(=O)CSc3ccc4ccccc4n3)sc2c1 ZINC000005627584 220888979 /nfs/dbraw/zinc/88/89/79/220888979.db2.gz ZYPFUTKWYUAYHF-UHFFFAOYSA-N 0 0 381.482 4.584 50 0 GJAARN COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccsc2)C3)cc1 ZINC000299793939 209091709 /nfs/dbraw/zinc/09/17/09/209091709.db2.gz IUBLQGYRAYUVOF-UHFFFAOYSA-N 0 0 381.497 4.827 50 0 GJAARN COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2-c2ccccc2F)cc1 ZINC000005638231 220890139 /nfs/dbraw/zinc/89/01/39/220890139.db2.gz SOUWDQHFQNJTLC-LJQANCHMSA-N 0 0 397.475 4.686 50 0 GJAARN Cc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005669063 220891259 /nfs/dbraw/zinc/89/12/59/220891259.db2.gz WLUIWLPQESOHOZ-SFHVURJKSA-N 0 0 389.451 4.611 50 0 GJAARN Cc1c(Cc2ccccc2)sc(NC(=O)c2ccccc2Cl)c1C(N)=O ZINC000005724577 220894902 /nfs/dbraw/zinc/89/49/02/220894902.db2.gz KSKNCJZEYPLMDQ-UHFFFAOYSA-N 0 0 384.888 4.652 50 0 GJAARN CCCc1ccc(-c2ccc(C(=O)Nc3nnc(SCC)s3)cc2)nc1 ZINC000006204939 220923777 /nfs/dbraw/zinc/92/37/77/220923777.db2.gz DPTWKSZYATVCTB-UHFFFAOYSA-N 0 0 384.530 4.917 50 0 GJAARN CCCn1c(C(=O)NCc2ccccc2)cc2sc(Br)cc21 ZINC000096280388 209014133 /nfs/dbraw/zinc/01/41/33/209014133.db2.gz ZHRDFVVMPXFKPA-UHFFFAOYSA-N 0 0 377.307 4.805 50 0 GJAARN COc1ccc(Br)c(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000006289016 220927408 /nfs/dbraw/zinc/92/74/08/220927408.db2.gz HOWVSTVUBNHYSM-UHFFFAOYSA-N 0 0 396.284 4.977 50 0 GJAARN O=C(Nc1ccccc1F)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096102979 209009554 /nfs/dbraw/zinc/00/95/54/209009554.db2.gz LUMWLHWJPZRSMH-UHFFFAOYSA-N 0 0 389.390 4.506 50 0 GJAARN CC[C@H](C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1OC ZINC000006082126 220919476 /nfs/dbraw/zinc/91/94/76/220919476.db2.gz MKOPKTTXCYJJDX-HNNXBMFYSA-N 0 0 396.516 4.520 50 0 GJAARN CSc1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000006112892 220920450 /nfs/dbraw/zinc/92/04/50/220920450.db2.gz JHGHHNHLIJWXGE-UHFFFAOYSA-N 0 0 387.555 4.633 50 0 GJAARN CC(C)OC(=O)COc1ccc2occ(-c3ccc4c(c3)OCCCO4)c2c1 ZINC000096222180 209011871 /nfs/dbraw/zinc/01/18/71/209011871.db2.gz IFRITNUUYUEXDI-UHFFFAOYSA-N 0 0 382.412 4.592 50 0 biogenic GJAARN CCCn1c(C(=O)NCc2ccccc2)cc2scc(Br)c21 ZINC000096280434 209013137 /nfs/dbraw/zinc/01/31/37/209013137.db2.gz LFSQBWAWKQLQPT-UHFFFAOYSA-N 0 0 377.307 4.805 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000006128554 220921863 /nfs/dbraw/zinc/92/18/63/220921863.db2.gz PUXTWGKXUOGIQH-UHFFFAOYSA-N 0 0 388.496 4.909 50 0 GJAARN CO[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)c1cccc(F)c1 ZINC000096388255 209016739 /nfs/dbraw/zinc/01/67/39/209016739.db2.gz CMKWVCMKJTZOGX-QHCPKHFHSA-N 0 0 377.459 4.852 50 0 GJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]2C1 ZINC000239038742 209017269 /nfs/dbraw/zinc/01/72/69/209017269.db2.gz DVKDIXUNHPLEDU-HVETUWLQSA-N 0 0 391.511 5.702 50 0 GJAARN CCCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 ZINC000239339152 209017497 /nfs/dbraw/zinc/01/74/97/209017497.db2.gz LTIVTGJEFRJVGB-ZRGWGRIASA-N 0 0 382.533 5.164 50 0 GJAARN Brc1ccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 ZINC000242389394 209021677 /nfs/dbraw/zinc/02/16/77/209021677.db2.gz ZWTXGXGBQLPFIR-OAHLLOKOSA-N 0 0 387.306 4.704 50 0 GJAARN COc1ccccc1/C=C\c1nn2c(CSc3ccccc3)nnc2s1 ZINC000097466827 209014989 /nfs/dbraw/zinc/01/49/89/209014989.db2.gz VKCKZZOLWBQCIY-QXMHVHEDSA-N 0 0 380.498 4.657 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc3ncccc32)s1 ZINC000006553144 220940976 /nfs/dbraw/zinc/94/09/76/220940976.db2.gz XEWZBAOXXYHLSC-UHFFFAOYSA-N 0 0 377.444 4.987 50 0 GJAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccc(F)cc2)C(=O)NC(C)(C)C)C1 ZINC000006695159 220951669 /nfs/dbraw/zinc/95/16/69/220951669.db2.gz NMZZDFGBWCEJFV-IBGZPJMESA-N 0 0 397.494 4.637 50 0 GJAARN Cc1ccccc1CSc1ncc(Cl)c(C(=O)NCc2ccccc2)n1 ZINC000006748155 220956755 /nfs/dbraw/zinc/95/67/55/220956755.db2.gz MCFRGLBJIIDKED-UHFFFAOYSA-N 0 0 383.904 4.661 50 0 GJAARN Cc1ccc(-c2nc(OC(C)C)nn2-c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000006775525 220960535 /nfs/dbraw/zinc/96/05/35/220960535.db2.gz WDXMDDPDHNTQTG-UHFFFAOYSA-N 0 0 378.476 4.624 50 0 GJAARN Cc1nn([C@@H](C)C(=O)Nc2cccc(Cl)c2)c(=O)c2c3ccccc3sc21 ZINC000006799066 220963434 /nfs/dbraw/zinc/96/34/34/220963434.db2.gz AYDLWLNSRXENKG-LBPRGKRZSA-N 0 0 397.887 4.773 50 0 GJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cccc(NC(C)=O)c1 ZINC000006851145 220971100 /nfs/dbraw/zinc/97/11/00/220971100.db2.gz NWGFETBZTBZOHR-UHFFFAOYSA-N 0 0 394.496 4.558 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1Br ZINC000006847055 220971382 /nfs/dbraw/zinc/97/13/82/220971382.db2.gz TVSMFAVULHKADZ-UHFFFAOYSA-N 0 0 395.303 4.895 50 0 GJAARN O=C(Cc1ccccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000007407286 220995880 /nfs/dbraw/zinc/99/58/80/220995880.db2.gz PQBCKCOAFGKEOM-UHFFFAOYSA-N 0 0 380.879 4.506 50 0 GJAARN Cc1cccc(NC(=O)CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)c1C ZINC000007454825 220997657 /nfs/dbraw/zinc/99/76/57/220997657.db2.gz CLCZIROOMVQMNY-UHFFFAOYSA-N 0 0 383.879 4.682 50 0 GJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc2c(c1)OCO2 ZINC000007640768 221004921 /nfs/dbraw/zinc/00/49/21/221004921.db2.gz AIJUMQJSFVCKAF-KRWDZBQOSA-N 0 0 388.467 4.541 50 0 GJAARN CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000007758379 221009751 /nfs/dbraw/zinc/00/97/51/221009751.db2.gz YLIKTQYKWGYYJT-QFIPXVFZSA-N 0 0 391.423 4.656 50 0 GJAARN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000007781327 221011480 /nfs/dbraw/zinc/01/14/80/221011480.db2.gz SMNAPGXKLDFRHI-UHFFFAOYSA-N 0 0 386.448 4.756 50 0 GJAARN O=C(Nc1nc(SC23CC4CC(CC(C4)C2)C3)ns1)c1cccs1 ZINC000007871167 221014625 /nfs/dbraw/zinc/01/46/25/221014625.db2.gz QTFYIUIEGTUWJX-UHFFFAOYSA-N 0 0 377.560 4.913 50 0 GJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(Cl)s1 ZINC000007990455 221022156 /nfs/dbraw/zinc/02/21/56/221022156.db2.gz SDNJAPXLXAARND-UHFFFAOYSA-N 0 0 389.889 4.662 50 0 GJAARN CC1(C)N=C(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2N1 ZINC000008023583 221023553 /nfs/dbraw/zinc/02/35/53/221023553.db2.gz LZQZEALHSQYPKK-UHFFFAOYSA-N 0 0 393.434 4.986 50 0 GJAARN Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000008020115 221024023 /nfs/dbraw/zinc/02/40/23/221024023.db2.gz XVQZALZVUFSEIT-UHFFFAOYSA-N 0 0 395.422 4.636 50 0 GJAARN CC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1C ZINC000008042048 221024670 /nfs/dbraw/zinc/02/46/70/221024670.db2.gz POEVORQMVVALED-UHFFFAOYSA-N 0 0 379.485 4.973 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(CN2CCCC2=O)c1 ZINC000008071458 221025673 /nfs/dbraw/zinc/02/56/73/221025673.db2.gz IWGCWAGPVYMFSU-UHFFFAOYSA-N 0 0 386.451 4.854 50 0 GJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000008074059 221026128 /nfs/dbraw/zinc/02/61/28/221026128.db2.gz KRUXQQHUBVJTQV-QFIPXVFZSA-N 0 0 392.499 4.580 50 0 GJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1 ZINC000008071089 221026445 /nfs/dbraw/zinc/02/64/45/221026445.db2.gz YQCLUDWOMMAMEI-UHFFFAOYSA-N 0 0 392.480 4.750 50 0 GJAARN COc1cccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000008115191 221027151 /nfs/dbraw/zinc/02/71/51/221027151.db2.gz NUMAZWIXGBCVMR-BREAQWACSA-N 0 0 375.493 4.944 50 0 GJAARN O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008093854 221027439 /nfs/dbraw/zinc/02/74/39/221027439.db2.gz JFHVQSRKJQMHHX-INIZCTEOSA-N 0 0 388.496 4.502 50 0 GJAARN Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c1 ZINC000008097525 221027479 /nfs/dbraw/zinc/02/74/79/221027479.db2.gz JMDFXFGJPKVDJF-UHFFFAOYSA-N 0 0 378.497 4.889 50 0 GJAARN Cc1ccccc1-n1cnnc1SCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008157218 221028764 /nfs/dbraw/zinc/02/87/64/221028764.db2.gz QTMDNNXLPWDQHJ-UHFFFAOYSA-N 0 0 387.892 4.683 50 0 GJAARN CC(C)[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1cccs1 ZINC000008157289 221029088 /nfs/dbraw/zinc/02/90/88/221029088.db2.gz FCIQTLCYCURYCO-LJQANCHMSA-N 0 0 396.541 4.735 50 0 GJAARN C[C@H]1CCN(C(=O)CSc2ncnc3ccccc32)c2ccccc2S1 ZINC000008188674 221030475 /nfs/dbraw/zinc/03/04/75/221030475.db2.gz CCESRZQPNVPEEW-AWEZNQCLSA-N 0 0 381.526 4.639 50 0 GJAARN CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1OC ZINC000008230388 221031604 /nfs/dbraw/zinc/03/16/04/221031604.db2.gz UVEQVKWZXXXWEJ-UHFFFAOYSA-N 0 0 394.475 4.549 50 0 GJAARN COc1ccccc1/C=C/C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000008215264 221032287 /nfs/dbraw/zinc/03/22/87/221032287.db2.gz BAHAXAWHEQRWRA-VAWYXSNFSA-N 0 0 387.395 4.657 50 0 GJAARN CC(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 ZINC000008312899 221035586 /nfs/dbraw/zinc/03/55/86/221035586.db2.gz LTJFKQGPJLPLSF-UHFFFAOYSA-N 0 0 377.469 4.784 50 0 GJAARN C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl ZINC000008303645 221035850 /nfs/dbraw/zinc/03/58/50/221035850.db2.gz UCKVKVKBDAKANO-CYBMUJFWSA-N 0 0 391.298 4.607 50 0 GJAARN COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1F ZINC000008308583 221036333 /nfs/dbraw/zinc/03/63/33/221036333.db2.gz IHDDGKSNSBCYHX-QGZVFWFLSA-N 0 0 392.474 4.960 50 0 GJAARN COc1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2)c(OC)c1 ZINC000008327678 221036979 /nfs/dbraw/zinc/03/69/79/221036979.db2.gz YCWOXGONURVJQA-UHFFFAOYSA-N 0 0 377.440 4.768 50 0 GJAARN C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008323932 221037183 /nfs/dbraw/zinc/03/71/83/221037183.db2.gz ZVGURUXJSPHWTJ-OAHLLOKOSA-N 0 0 393.516 4.575 50 0 GJAARN Cc1cc(CSc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)no1 ZINC000008394392 221039355 /nfs/dbraw/zinc/03/93/55/221039355.db2.gz YJTWOGOFBJAZRF-UHFFFAOYSA-N 0 0 391.496 4.729 50 0 GJAARN O=c1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000007900929 221015810 /nfs/dbraw/zinc/01/58/10/221015810.db2.gz RKHJKQOCOWWYKD-GOEBONIOSA-N 0 0 397.519 4.803 50 0 GJAARN C[C@H]1CCc2ccccc2N1Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 ZINC000007988692 221021201 /nfs/dbraw/zinc/02/12/01/221021201.db2.gz GPIUIJAZYMLEGC-ZDUSSCGKSA-N 0 0 398.919 4.785 50 0 GJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000007989154 221021555 /nfs/dbraw/zinc/02/15/55/221021555.db2.gz KSVDXCKYKDMAIU-CQSZACIVSA-N 0 0 375.403 4.775 50 0 GJAARN CC(C)CCN1c2ccc(NC(=O)c3cccs3)cc2OCC(C)(C)C1=O ZINC000008959277 221065434 /nfs/dbraw/zinc/06/54/34/221065434.db2.gz DOMGJBLIFOPKKD-UHFFFAOYSA-N 0 0 386.517 4.798 50 0 GJAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc4c3O[C@@H](C)[C@@H]4C)o2)cc1 ZINC000008484560 221042511 /nfs/dbraw/zinc/04/25/11/221042511.db2.gz NEGOAZFXMXXYHU-IHRRRGAJSA-N 0 0 394.427 4.548 50 0 GJAARN CCOc1ccc(OC(=O)c2cn(-c3ccc(C)cc3)c(=O)c3ccccc23)cc1 ZINC000008600267 221045383 /nfs/dbraw/zinc/04/53/83/221045383.db2.gz ZKUIHZBEYBCSAY-UHFFFAOYSA-N 0 0 399.446 4.917 50 0 GJAARN O=C(c1cccc(Cl)c1)n1nc(-c2ccco2)nc1NCc1cccs1 ZINC000008612624 221046901 /nfs/dbraw/zinc/04/69/01/221046901.db2.gz HKYUXGUTTBOMFX-UHFFFAOYSA-N 0 0 384.848 4.554 50 0 GJAARN CCc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000008688115 221049991 /nfs/dbraw/zinc/04/99/91/221049991.db2.gz JHYVTHYQWGTUHI-UHFFFAOYSA-N 0 0 378.303 4.910 50 0 GJAARN Cc1ccoc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000008710419 221050222 /nfs/dbraw/zinc/05/02/22/221050222.db2.gz CAPBUJYUZZDVEI-HXUWFJFHSA-N 0 0 387.483 4.697 50 0 GJAARN CCOc1ccccc1-c1nc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs1 ZINC000008733878 221052197 /nfs/dbraw/zinc/05/21/97/221052197.db2.gz XOGGTUBGYJBYIB-UHFFFAOYSA-N 0 0 396.556 4.836 50 0 GJAARN CCN(CC)c1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)o2)cc1 ZINC000008725187 221052704 /nfs/dbraw/zinc/05/27/04/221052704.db2.gz JACXNWYHIOYCOG-UHFFFAOYSA-N 0 0 393.516 4.831 50 0 GJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Br)ccc1Cl ZINC000008752135 221055272 /nfs/dbraw/zinc/05/52/72/221055272.db2.gz RGMKQBMXMXFFBC-UHFFFAOYSA-N 0 0 382.641 4.516 50 0 GJAARN CCC(=O)Oc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 ZINC000008764742 221056798 /nfs/dbraw/zinc/05/67/98/221056798.db2.gz ZNOCMZFLGYRJQR-UHFFFAOYSA-N 0 0 378.424 4.879 50 0 biogenic GJAARN Cc1oc2c(cc3c(C)c(CCC(=O)Nc4ccccn4)c(=O)oc3c2C)c1C ZINC000008765058 221057315 /nfs/dbraw/zinc/05/73/15/221057315.db2.gz UQRCMAHZFSGMAQ-UHFFFAOYSA-N 0 0 390.439 4.739 50 0 biogenic GJAARN O=C(CSc1nncn1-c1ccccc1)N(c1ccccc1)C1CCCCC1 ZINC000009127240 221070786 /nfs/dbraw/zinc/07/07/86/221070786.db2.gz CPEGDCDVFNMYKP-UHFFFAOYSA-N 0 0 392.528 4.725 50 0 GJAARN O=C(CSc1nnc(-c2ccco2)o1)c1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000009145983 221072151 /nfs/dbraw/zinc/07/21/51/221072151.db2.gz QFUCAFHMPRNVGM-GFCCVEGCSA-N 0 0 395.267 4.966 50 0 GJAARN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N(C)Cc3ccccc3)c2)on1 ZINC000009269174 221075895 /nfs/dbraw/zinc/07/58/95/221075895.db2.gz GXAXINKLYQIEMK-UHFFFAOYSA-N 0 0 384.501 4.594 50 0 GJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000009303424 221076830 /nfs/dbraw/zinc/07/68/30/221076830.db2.gz WKUMZSXDAZKWGK-FQEVSTJZSA-N 0 0 379.485 4.824 50 0 GJAARN O=C(NCCSc1ccc(Br)cc1)Nc1ccc(F)cc1F ZINC000009376984 221079575 /nfs/dbraw/zinc/07/95/75/221079575.db2.gz NAAMXJZPNIHQAH-UHFFFAOYSA-N 0 0 387.249 4.641 50 0 GJAARN C/C(=C/c1ccccc1)C(=O)Nc1nnc(CCCOc2ccccc2)s1 ZINC000009426491 221080320 /nfs/dbraw/zinc/08/03/20/221080320.db2.gz IYXZHVFQOBFJOE-NXVVXOECSA-N 0 0 379.485 4.592 50 0 GJAARN C[C@@H](C(=O)NC[C@H](O)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000009420418 221080456 /nfs/dbraw/zinc/08/04/56/221080456.db2.gz DVUPTRVSXBZMLM-PEBXRYMYSA-N 0 0 392.886 4.928 50 0 GJAARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3ccc(C)c(C)c3)cc2c1 ZINC000009461225 221081508 /nfs/dbraw/zinc/08/15/08/221081508.db2.gz GLLSOLQVQOFKGR-UHFFFAOYSA-N 0 0 397.478 4.695 50 0 GJAARN Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2)cc1 ZINC000009427745 221081510 /nfs/dbraw/zinc/08/15/10/221081510.db2.gz SSCXFZPZRWEFCA-UHFFFAOYSA-N 0 0 382.463 4.992 50 0 GJAARN COc1ccc2c(C)c(CCC(=O)Oc3ccc(Cl)cc3C)c(=O)oc2c1 ZINC000009513243 221082406 /nfs/dbraw/zinc/08/24/06/221082406.db2.gz IRCFNRFNYRYRQS-UHFFFAOYSA-N 0 0 386.831 4.610 50 0 GJAARN O=C(c1cc2c(c(Cl)c1)OCO2)N(Cc1ccco1)Cc1cccs1 ZINC000009512566 221083294 /nfs/dbraw/zinc/08/32/94/221083294.db2.gz SQJYTRRPICTYRS-UHFFFAOYSA-N 0 0 375.833 4.566 50 0 GJAARN CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(Cl)c3Cl)O2)cc1 ZINC000009586355 221086519 /nfs/dbraw/zinc/08/65/19/221086519.db2.gz DPMPPZAZKOBPFA-GOSISDBHSA-N 0 0 379.243 4.631 50 0 GJAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2C)cc1 ZINC000009019574 221068166 /nfs/dbraw/zinc/06/81/66/221068166.db2.gz JXLPALKLHFKMEI-UHFFFAOYSA-N 0 0 398.462 4.692 50 0 GJAARN COc1ccc2cc(CNC(=O)N(C)Cc3ccc(SC)cc3)ccc2c1 ZINC000010495065 221104122 /nfs/dbraw/zinc/10/41/22/221104122.db2.gz VSOXCWOCFMCTDW-UHFFFAOYSA-N 0 0 380.513 4.912 50 0 GJAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H](c1cccs1)c1ccccc1 ZINC000010490594 221104153 /nfs/dbraw/zinc/10/41/53/221104153.db2.gz CHLAUTJMAWCLDG-HXUWFJFHSA-N 0 0 399.899 4.621 50 0 GJAARN COc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1F ZINC000010694860 221106148 /nfs/dbraw/zinc/10/61/48/221106148.db2.gz QJFWTUYFQLMBKX-LJQANCHMSA-N 0 0 388.442 4.878 50 0 GJAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000010643060 221106548 /nfs/dbraw/zinc/10/65/48/221106548.db2.gz IIJFSFJKYYSPJC-KNQAVFIVSA-N 0 0 390.870 4.672 50 0 GJAARN Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000010898534 221108191 /nfs/dbraw/zinc/10/81/91/221108191.db2.gz ZUJMEJVHSDYDBT-UHFFFAOYSA-N 0 0 394.525 4.638 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2sccc2C1 ZINC000010923898 221109284 /nfs/dbraw/zinc/10/92/84/221109284.db2.gz NGBFVMFRZKTPBP-UHFFFAOYSA-N 0 0 376.840 4.703 50 0 GJAARN COc1ccc(-c2c(C)nn3c2ncc2c3C[C@@H](c3ccc(C)cc3)CC2=O)cc1 ZINC000009698375 221090499 /nfs/dbraw/zinc/09/04/99/221090499.db2.gz ZKSFBMXODUAUHI-LJQANCHMSA-N 0 0 397.478 4.934 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)NCc1cccn1Cc1ccccc1C ZINC000009724024 221090909 /nfs/dbraw/zinc/09/09/09/221090909.db2.gz KNPNBHSVNRIKLL-UHFFFAOYSA-N 0 0 383.879 4.829 50 0 GJAARN COc1cccc(Cn2c(C)c(C[NH2+][C@@H](C)c3ccccc3)c(C(=O)[O-])c2C)c1 ZINC000009747319 221091515 /nfs/dbraw/zinc/09/15/15/221091515.db2.gz UWADPAPPBAZWPB-INIZCTEOSA-N 0 0 392.499 4.711 50 0 GJAARN C[C@@H]1CCc2sc(-c3nnc(SCc4nnsc4Cl)o3)cc2C1 ZINC000009882188 221093806 /nfs/dbraw/zinc/09/38/06/221093806.db2.gz PPVQSLVZVREYGN-SSDOTTSWSA-N 0 0 384.939 4.720 50 0 GJAARN CCOC(=O)Nc1ccc2c(CSCc3cccc(F)c3)cc(=O)oc2c1 ZINC000010023931 221096328 /nfs/dbraw/zinc/09/63/28/221096328.db2.gz YAVZTMDULMLPDK-UHFFFAOYSA-N 0 0 387.432 4.934 50 0 GJAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 ZINC000010025225 221096740 /nfs/dbraw/zinc/09/67/40/221096740.db2.gz CTXYRDVHIOYVCX-KRWDZBQOSA-N 0 0 387.508 4.965 50 0 GJAARN Fc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl ZINC000010213743 221098537 /nfs/dbraw/zinc/09/85/37/221098537.db2.gz PTLGZJYQBYNPDK-UHFFFAOYSA-N 0 0 384.846 4.752 50 0 GJAARN CCc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)cc1 ZINC000010213552 221098729 /nfs/dbraw/zinc/09/87/29/221098729.db2.gz SOHNLQCFILXJMX-UHFFFAOYSA-N 0 0 378.455 4.661 50 0 GJAARN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NOCc1ccccc1 ZINC000010319360 221100320 /nfs/dbraw/zinc/10/03/20/221100320.db2.gz GRORCSCSIIIHAP-UHFFFAOYSA-N 0 0 397.272 4.681 50 0 GJAARN CCOc1ccc(-c2nc(CN3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)cc1 ZINC000011773745 221124049 /nfs/dbraw/zinc/12/40/49/221124049.db2.gz BMTBVPMPNYZZID-LJQANCHMSA-N 0 0 384.520 4.876 50 0 GJAARN O=C(CCc1nnc(-c2ccccc2)o1)NCC1(c2ccccc2)CCCCC1 ZINC000011760596 221125246 /nfs/dbraw/zinc/12/52/46/221125246.db2.gz RAGWTGRHMWWKKT-UHFFFAOYSA-N 0 0 389.499 4.688 50 0 GJAARN COc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)sc2c1 ZINC000011807113 221125900 /nfs/dbraw/zinc/12/59/00/221125900.db2.gz LSDSXVDEYPKPRM-UHFFFAOYSA-N 0 0 397.431 4.670 50 0 GJAARN CN(Cc1ccsc1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000011815303 221127655 /nfs/dbraw/zinc/12/76/55/221127655.db2.gz XAIHRGRIASGPBB-UHFFFAOYSA-N 0 0 375.497 4.943 50 0 GJAARN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)C4CCC4)C3)c2)c1 ZINC000011838268 221130799 /nfs/dbraw/zinc/13/07/99/221130799.db2.gz WCWJMZITBWQCNT-NRFANRHFSA-N 0 0 376.500 4.639 50 0 GJAARN Cc1cccc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)c1 ZINC000011840831 221131227 /nfs/dbraw/zinc/13/12/27/221131227.db2.gz KMPQXFMDYWIYDU-UHFFFAOYSA-N 0 0 388.467 4.746 50 0 GJAARN CCCc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 ZINC000011870320 221133925 /nfs/dbraw/zinc/13/39/25/221133925.db2.gz HZJQDOSWUBXKFK-UHFFFAOYSA-N 0 0 380.517 4.897 50 0 GJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000011879741 221134755 /nfs/dbraw/zinc/13/47/55/221134755.db2.gz JGBNNUIXGYXZRD-OAQYLSRUSA-N 0 0 383.532 4.538 50 0 GJAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011217651 221113092 /nfs/dbraw/zinc/11/30/92/221113092.db2.gz OCXACCOAMVFZGJ-OAQYLSRUSA-N 0 0 381.435 4.821 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)nc2onc(C)c21 ZINC000011427350 221116481 /nfs/dbraw/zinc/11/64/81/221116481.db2.gz GKWJPMVZYWYNGP-UHFFFAOYSA-N 0 0 379.441 4.829 50 0 GJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000011614175 221118086 /nfs/dbraw/zinc/11/80/86/221118086.db2.gz DCKILVYOCHAQLX-VIFPVBQESA-N 0 0 376.692 4.787 50 0 GJAARN CCn1ccnc1CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011932989 221137259 /nfs/dbraw/zinc/13/72/59/221137259.db2.gz DBWARSPHBMXJPX-FQEVSTJZSA-N 0 0 381.907 4.737 50 0 GJAARN CCCC(=O)N1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000012002043 221141692 /nfs/dbraw/zinc/14/16/92/221141692.db2.gz HWMIUNYPJRDCSJ-UHFFFAOYSA-N 0 0 389.499 4.812 50 0 GJAARN CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012029762 221143405 /nfs/dbraw/zinc/14/34/05/221143405.db2.gz WKBZHHDPMVUYAP-LJQANCHMSA-N 0 0 389.499 4.668 50 0 GJAARN CSc1ccccc1C(=O)N1CCC(c2ccnc(-c3ccccc3)n2)CC1 ZINC000012037561 221145398 /nfs/dbraw/zinc/14/53/98/221145398.db2.gz INJFHSTZOOFQKI-UHFFFAOYSA-N 0 0 389.524 4.885 50 0 GJAARN COc1ccc(OC)c(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)c1 ZINC000012072819 221146341 /nfs/dbraw/zinc/14/63/41/221146341.db2.gz LMPBFQFMUMKPNJ-GOSISDBHSA-N 0 0 399.516 4.851 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000012111313 221150559 /nfs/dbraw/zinc/15/05/59/221150559.db2.gz NKSBWVGMIPKLFP-INIZCTEOSA-N 0 0 395.459 4.548 50 0 GJAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012112163 221150732 /nfs/dbraw/zinc/15/07/32/221150732.db2.gz HMBPEQCNAXBMKE-DEOSSOPVSA-N 0 0 383.507 4.581 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 ZINC000011914300 221135742 /nfs/dbraw/zinc/13/57/42/221135742.db2.gz UVUVNFXLUIGZGY-UHFFFAOYSA-N 0 0 399.468 4.517 50 0 GJAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 ZINC000011914570 221136484 /nfs/dbraw/zinc/13/64/84/221136484.db2.gz XTYVJASMNQMOQI-UHFFFAOYSA-N 0 0 393.439 4.619 50 0 GJAARN Cc1oc(-c2cc(F)cc(F)c2)nc1CN(C)Cc1ccc(-n2cccn2)cc1 ZINC000012315150 221179431 /nfs/dbraw/zinc/17/94/31/221179431.db2.gz CSUYDZJVQLGZMY-UHFFFAOYSA-N 0 0 394.425 4.746 50 0 GJAARN COC(=O)c1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000012176760 221162092 /nfs/dbraw/zinc/16/20/92/221162092.db2.gz YHMTUBBDKNVEOJ-UHFFFAOYSA-N 0 0 394.374 4.834 50 0 GJAARN Cc1ccccc1-c1cc(C(=O)Nc2nccs2)c2cnn(C(C)C)c2n1 ZINC000012227407 221170367 /nfs/dbraw/zinc/17/03/67/221170367.db2.gz SEMCLJVVPLANPL-UHFFFAOYSA-N 0 0 377.473 4.696 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000012225420 221170983 /nfs/dbraw/zinc/17/09/83/221170983.db2.gz YGKYZQJKEILNCT-UHFFFAOYSA-N 0 0 382.851 4.833 50 0 GJAARN CC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 ZINC000012274590 221174021 /nfs/dbraw/zinc/17/40/21/221174021.db2.gz QAKJEEUMYZRVEX-UHFFFAOYSA-N 0 0 384.229 4.580 50 0 GJAARN O=C(c1cscn1)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012430792 221191230 /nfs/dbraw/zinc/19/12/30/221191230.db2.gz HIMFRIDNGSVVAR-LJQANCHMSA-N 0 0 376.481 4.545 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCC[C@@H]2C)cc1 ZINC000012437885 221192941 /nfs/dbraw/zinc/19/29/41/221192941.db2.gz IDFRQUDXCNFELV-KRWDZBQOSA-N 0 0 380.513 4.755 50 0 GJAARN CCN(CC)c1c2cc(F)ccc2ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012437891 221193022 /nfs/dbraw/zinc/19/30/22/221193022.db2.gz FLLNPZQLQXCZHI-UHFFFAOYSA-N 0 0 392.883 4.706 50 0 GJAARN CC1(C)Cc2c(sc3nc(-c4ccc(Br)cc4)cn23)C(=O)C1 ZINC000012437763 221193306 /nfs/dbraw/zinc/19/33/06/221193306.db2.gz NTUMHAMLIYAQIZ-UHFFFAOYSA-N 0 0 375.291 4.980 50 0 GJAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4Cl)c3)cn2n1 ZINC000012441172 221195988 /nfs/dbraw/zinc/19/59/88/221195988.db2.gz IVCAAJWPEURENQ-UHFFFAOYSA-N 0 0 392.846 4.619 50 0 GJAARN O=C(c1csc2nc(-c3ccccc3)cn12)N1CCCC[C@@H]1c1cccnc1 ZINC000012447131 221196908 /nfs/dbraw/zinc/19/69/08/221196908.db2.gz QHNGBIDGNRPLPU-LJQANCHMSA-N 0 0 388.496 4.825 50 0 GJAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1C ZINC000012526182 221200830 /nfs/dbraw/zinc/20/08/30/221200830.db2.gz TYIGQCFAUQOOQZ-UHFFFAOYSA-N 0 0 398.484 4.566 50 0 GJAARN C[C@H](NC(=O)/C=C/c1ccc(OCc2cccnc2)cc1)c1ccc(F)cc1 ZINC000012527596 221202921 /nfs/dbraw/zinc/20/29/21/221202921.db2.gz NWUDFEKNFQMYGU-SDTVSMOJSA-N 0 0 376.431 4.690 50 0 GJAARN CCOc1ccc2oc(C(=O)Nc3nc(-c4cccnc4)cs3)c(C)c2c1 ZINC000012558587 221207680 /nfs/dbraw/zinc/20/76/80/221207680.db2.gz QCHCQOMUTXAANG-UHFFFAOYSA-N 0 0 379.441 4.911 50 0 GJAARN CC(=O)c1cccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000012579594 221209772 /nfs/dbraw/zinc/20/97/72/221209772.db2.gz ICTXIEVYZYLXAY-JOCHJYFZSA-N 0 0 379.500 4.771 50 0 GJAARN O=S(=O)(Cc1ccccc1Cl)Nc1cccc(/C=C/c2ccncc2)c1 ZINC000012375577 221186038 /nfs/dbraw/zinc/18/60/38/221186038.db2.gz NTCSTZJVKDXEKB-CMDGGOBGSA-N 0 0 384.888 4.847 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1F ZINC000012371685 221186570 /nfs/dbraw/zinc/18/65/70/221186570.db2.gz HEYYCMZEDDYGMW-HNNXBMFYSA-N 0 0 383.444 4.949 50 0 GJAARN CC1=C[C@H](C)[C@@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@@H](C)C1 ZINC000012384969 221187740 /nfs/dbraw/zinc/18/77/40/221187740.db2.gz GMXNCELBMADRND-NPPFBWRTSA-N 0 0 390.593 4.831 50 0 GJAARN CC1=C[C@H](C)[C@@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@H](C)C1 ZINC000012384968 221187843 /nfs/dbraw/zinc/18/78/43/221187843.db2.gz GMXNCELBMADRND-NJNPRVFISA-N 0 0 390.593 4.831 50 0 GJAARN O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000012387116 221187970 /nfs/dbraw/zinc/18/79/70/221187970.db2.gz SVCMJPBAHRVYKE-FQEVSTJZSA-N 0 0 394.490 4.860 50 0 GJAARN COC(=O)c1cc(-c2cccs2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012397219 221188901 /nfs/dbraw/zinc/18/89/01/221188901.db2.gz SSTOKTNUDFQLHI-UHFFFAOYSA-N 0 0 393.443 4.952 50 0 GJAARN Cc1nn(C)c(C)c1CN(Cc1nc(-c2cccc(Cl)c2)oc1C)C1CC1 ZINC000012595985 221213422 /nfs/dbraw/zinc/21/34/22/221213422.db2.gz WMDNLVZWUFDDAM-UHFFFAOYSA-N 0 0 384.911 4.818 50 0 GJAARN Cn1c(C[C@@H](NC(=O)c2ccc(F)cc2F)c2ccccc2)nc2ccccc21 ZINC000012627369 221215337 /nfs/dbraw/zinc/21/53/37/221215337.db2.gz LCYRZJKXGFXIQM-HXUWFJFHSA-N 0 0 391.421 4.565 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012622521 221216108 /nfs/dbraw/zinc/21/61/08/221216108.db2.gz WRRSZQOVPAWEMZ-AWEZNQCLSA-N 0 0 385.489 4.620 50 0 GJAARN O=S(=O)(/C=C/c1ccccc1)Nc1ccc(SCc2cccnc2)cc1 ZINC000012649394 221216732 /nfs/dbraw/zinc/21/67/32/221216732.db2.gz PZQRXCPGNMEFBC-WYMLVPIESA-N 0 0 382.510 4.787 50 0 GJAARN CCCO[C@H]1CCCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 ZINC000012702675 221219594 /nfs/dbraw/zinc/21/95/94/221219594.db2.gz GRKGKRSLNPKADM-FQEVSTJZSA-N 0 0 383.536 4.629 50 0 GJAARN CCn1c(SC[C@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012731987 221222840 /nfs/dbraw/zinc/22/28/40/221222840.db2.gz GRSKLKSXEQLDIT-OAHLLOKOSA-N 0 0 386.542 4.724 50 0 GJAARN CCOc1c(Br)cc(F)cc1NCC(=O)Nc1cc(C)ccc1C ZINC000012798587 221234098 /nfs/dbraw/zinc/23/40/98/221234098.db2.gz PNZOPBMMSKEWOW-UHFFFAOYSA-N 0 0 395.272 4.654 50 0 GJAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(C)cc3Cl)c12 ZINC000012741415 221223737 /nfs/dbraw/zinc/22/37/37/221223737.db2.gz IPUYFNJIVBZZFG-UHFFFAOYSA-N 0 0 380.835 4.751 50 0 GJAARN COc1ccc(CC(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1OC ZINC000012746014 221223858 /nfs/dbraw/zinc/22/38/58/221223858.db2.gz FMNUSYIGUGJPDL-UHFFFAOYSA-N 0 0 375.468 4.788 50 0 GJAARN COc1ccc(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000012753774 221225991 /nfs/dbraw/zinc/22/59/91/221225991.db2.gz PXDBWYMPGCUPPU-NRFANRHFSA-N 0 0 385.529 4.940 50 0 GJAARN Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c(C)c1 ZINC000012758902 221226763 /nfs/dbraw/zinc/22/67/63/221226763.db2.gz RTVUQOPKANDPRL-QHCPKHFHSA-N 0 0 376.525 4.951 50 0 GJAARN Cc1nn(C)c(C)c1CN(C(=O)c1oc2c(cc(C)cc2Cl)c1C)C1CC1 ZINC000012759737 221227328 /nfs/dbraw/zinc/22/73/28/221227328.db2.gz HREGLFJZSDUUIG-UHFFFAOYSA-N 0 0 385.895 4.858 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000012759867 221227407 /nfs/dbraw/zinc/22/74/07/221227407.db2.gz FDOCYTWQAADDHM-MZNJEOGPSA-N 0 0 384.479 4.981 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1 ZINC000012767055 221227756 /nfs/dbraw/zinc/22/77/56/221227756.db2.gz YDBJTLOWUIQGHO-UHFFFAOYSA-N 0 0 390.233 4.773 50 0 GJAARN COc1ccc(Br)c(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000012764731 221228142 /nfs/dbraw/zinc/22/81/42/221228142.db2.gz FANAWCGMLIOGGT-UHFFFAOYSA-N 0 0 396.310 4.609 50 0 GJAARN COCC(=O)N(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1 ZINC000012769296 221229244 /nfs/dbraw/zinc/22/92/44/221229244.db2.gz XBYIUZNCEMUWNF-UHFFFAOYSA-N 0 0 380.441 4.922 50 0 GJAARN CCc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000012791062 221233093 /nfs/dbraw/zinc/23/30/93/221233093.db2.gz CRCWSMCEYMSYQP-QZTJIDSGSA-N 0 0 394.515 4.670 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1cc(C)ccc1C(C)C ZINC000012902466 221243849 /nfs/dbraw/zinc/24/38/49/221243849.db2.gz NENDJNDRXGQMQM-UHFFFAOYSA-N 0 0 391.515 4.616 50 0 GJAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(Cl)c1Cl ZINC000012906252 221244007 /nfs/dbraw/zinc/24/40/07/221244007.db2.gz YLZWZHBXXVDEOE-UHFFFAOYSA-N 0 0 386.662 4.989 50 0 GJAARN COc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012813936 221235752 /nfs/dbraw/zinc/23/57/52/221235752.db2.gz MFCFIWXVAGWKRL-MRXNPFEDSA-N 0 0 386.300 4.528 50 0 GJAARN COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c2ccccc2)cc1 ZINC000012819021 221236078 /nfs/dbraw/zinc/23/60/78/221236078.db2.gz XRGANJYHLMWXIN-FCHUYYIVSA-N 0 0 393.870 4.558 50 0 GJAARN COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012813933 221236095 /nfs/dbraw/zinc/23/60/95/221236095.db2.gz MFCFIWXVAGWKRL-INIZCTEOSA-N 0 0 386.300 4.528 50 0 GJAARN COc1cccc(-c2nc(C(=O)Nc3cccc(SC)c3)cs2)c1OC ZINC000012824121 221237235 /nfs/dbraw/zinc/23/72/35/221237235.db2.gz PHQFZYQFSKVKDZ-UHFFFAOYSA-N 0 0 386.498 4.802 50 0 GJAARN Cc1nc(-c2ccccc2)c(C(=O)NCc2coc(-c3cccs3)n2)s1 ZINC000012853145 221238627 /nfs/dbraw/zinc/23/86/27/221238627.db2.gz DDRKEOJYSBDOLY-UHFFFAOYSA-N 0 0 381.482 4.765 50 0 GJAARN COc1ccc(CCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012855506 221238795 /nfs/dbraw/zinc/23/87/95/221238795.db2.gz AOFMOBWRZHWBGM-QHCPKHFHSA-N 0 0 377.509 4.864 50 0 GJAARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)cc(Cl)c1 ZINC000012871745 221240268 /nfs/dbraw/zinc/24/02/68/221240268.db2.gz ANLKLPITZBUQNR-UHFFFAOYSA-N 0 0 395.330 4.655 50 0 GJAARN CC(=O)c1ccc(SCC(=O)Nc2ccc(C)cc2Br)c(F)c1 ZINC000012885303 221241583 /nfs/dbraw/zinc/24/15/83/221241583.db2.gz MVVAHYGLTCLSDP-UHFFFAOYSA-N 0 0 396.281 4.830 50 0 GJAARN O=C(NCc1ccc(Cl)cc1Cl)c1cccc(OCc2cscn2)c1 ZINC000012889847 221242002 /nfs/dbraw/zinc/24/20/02/221242002.db2.gz GGLMJQCVZRSBBE-UHFFFAOYSA-N 0 0 393.295 4.959 50 0 GJAARN C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000012925034 221247397 /nfs/dbraw/zinc/24/73/97/221247397.db2.gz IALDNVGEUQYIAY-ZDUSSCGKSA-N 0 0 382.362 4.766 50 0 GJAARN O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000012930447 221247954 /nfs/dbraw/zinc/24/79/54/221247954.db2.gz IKSYCRFLRNPPST-HNNXBMFYSA-N 0 0 388.423 4.670 50 0 GJAARN Cc1cccc(C)c1NC(=O)CSCCOc1cccc(Br)c1 ZINC000012946789 221249846 /nfs/dbraw/zinc/24/98/46/221249846.db2.gz SZLFUVXLTIEFBE-UHFFFAOYSA-N 0 0 394.334 4.817 50 0 GJAARN COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC ZINC000012984514 221253106 /nfs/dbraw/zinc/25/31/06/221253106.db2.gz QAODIAIBWUKXDC-DPCFLFMUSA-N 0 0 394.496 4.690 50 0 GJAARN COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1Cc1ccccc1 ZINC000012998358 221254050 /nfs/dbraw/zinc/25/40/50/221254050.db2.gz FCACRECPTBEWQE-UHFFFAOYSA-N 0 0 377.440 4.556 50 0 GJAARN CC(=O)c1ccc(-c2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)o2)cc1 ZINC000012995403 221254211 /nfs/dbraw/zinc/25/42/11/221254211.db2.gz WQGHXFTYKBYFJM-UHFFFAOYSA-N 0 0 388.427 4.727 50 0 GJAARN COc1ccc(CN(C)Cn2nc(Nc3ccc(F)cc3)sc2=S)cc1 ZINC000012993632 221254453 /nfs/dbraw/zinc/25/44/53/221254453.db2.gz NDCTWYJKASIMCD-UHFFFAOYSA-N 0 0 390.509 4.655 50 0 GJAARN O=C(Cc1cccc(F)c1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000013000603 221255222 /nfs/dbraw/zinc/25/52/22/221255222.db2.gz WWCHTIXQKRCEKY-UHFFFAOYSA-N 0 0 398.869 4.645 50 0 GJAARN CCCc1noc(CCC(=O)Nc2ccc(Oc3ccc(OCC)cc3)cc2)n1 ZINC000012912310 221245360 /nfs/dbraw/zinc/24/53/60/221245360.db2.gz JUNMFBBNZYQSMB-UHFFFAOYSA-N 0 0 395.459 4.784 50 0 GJAARN Fc1ccc(NC(=S)Nc2ccn(Cc3ccccc3F)n2)cc1Cl ZINC000013330445 221265177 /nfs/dbraw/zinc/26/51/77/221265177.db2.gz NMEVXCQBBYALKW-UHFFFAOYSA-N 0 0 378.835 4.672 50 0 GJAARN COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000013320455 221265242 /nfs/dbraw/zinc/26/52/42/221265242.db2.gz JKTQWXNNJIXAAA-UHFFFAOYSA-N 0 0 388.773 4.698 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(N2CCCCC2)c2nonc21 ZINC000013328481 221265327 /nfs/dbraw/zinc/26/53/27/221265327.db2.gz ABVJVRQSEYVNKY-UHFFFAOYSA-N 0 0 389.818 4.650 50 0 GJAARN Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)NC(C)(C)C ZINC000013283367 221265585 /nfs/dbraw/zinc/26/55/85/221265585.db2.gz IQBQQKBWVQBXHC-UHFFFAOYSA-N 0 0 398.551 4.728 50 0 GJAARN Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1 ZINC000013009886 221256718 /nfs/dbraw/zinc/25/67/18/221256718.db2.gz TUROZZHZVSFURF-UHFFFAOYSA-N 0 0 399.458 4.667 50 0 GJAARN C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(OC(F)F)cc1 ZINC000013021212 221257476 /nfs/dbraw/zinc/25/74/76/221257476.db2.gz FCXSOVMTMVAGJH-NSHDSACASA-N 0 0 394.468 4.893 50 0 GJAARN O=C(N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1)c1ccccc1 ZINC000013365533 221267102 /nfs/dbraw/zinc/26/71/02/221267102.db2.gz LBKAVIIAGJSACU-IBGZPJMESA-N 0 0 389.842 4.909 50 0 GJAARN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000013595650 221277434 /nfs/dbraw/zinc/27/74/34/221277434.db2.gz ATKOVCAQZDGBOF-UHFFFAOYSA-N 0 0 399.556 4.729 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000013365735 221267238 /nfs/dbraw/zinc/26/72/38/221267238.db2.gz XHYVLRBSYILIIM-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1F ZINC000013370003 221267815 /nfs/dbraw/zinc/26/78/15/221267815.db2.gz NODSMZJCHWWLOM-MJGOQNOKSA-N 0 0 396.510 4.858 50 0 biogenic GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000013477687 221268904 /nfs/dbraw/zinc/26/89/04/221268904.db2.gz FMIVZCLVVSWWBS-JQBYJRRVSA-N 0 0 385.850 4.737 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C2CCCCC2)s1 ZINC000013571299 221274522 /nfs/dbraw/zinc/27/45/22/221274522.db2.gz GIMBPRQYMNGSIS-UHFFFAOYSA-N 0 0 386.304 4.910 50 0 GJAARN Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccnc2)c(C)c1 ZINC000013685926 221281027 /nfs/dbraw/zinc/28/10/27/221281027.db2.gz ZJSGQOZXSPXEAS-UHFFFAOYSA-N 0 0 397.478 4.695 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013694905 221281965 /nfs/dbraw/zinc/28/19/65/221281965.db2.gz KONBANVMCGJWCU-UHFFFAOYSA-N 0 0 396.899 4.786 50 0 GJAARN COc1ccc2[nH]cc(CCNC(=O)c3sc(-c4ccccc4)nc3C)c2c1 ZINC000013732664 221285568 /nfs/dbraw/zinc/28/55/68/221285568.db2.gz XHDWWZUWZASXGT-UHFFFAOYSA-N 0 0 391.496 4.581 50 0 GJAARN COc1ccc(Cl)cc1NC(=S)Nc1cc(Cl)c(OC)cc1OC ZINC000013736906 221287536 /nfs/dbraw/zinc/28/75/36/221287536.db2.gz IRUGROPYQAXJKC-UHFFFAOYSA-N 0 0 387.288 4.828 50 0 GJAARN CC(C)c1ccc([C@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000014095377 221298743 /nfs/dbraw/zinc/29/87/43/221298743.db2.gz ZIUXZLXKLQSIGH-QFIPXVFZSA-N 0 0 389.528 4.726 50 0 GJAARN COc1ccccc1[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000014125784 221299693 /nfs/dbraw/zinc/29/96/93/221299693.db2.gz YEUZFOULSCHQJU-CQSZACIVSA-N 0 0 380.469 4.500 50 0 GJAARN Cn1c(C[C@H](NC(=O)c2cccc(Cl)c2)c2ccccc2)nc2ccccc21 ZINC000014129774 221300109 /nfs/dbraw/zinc/30/01/09/221300109.db2.gz UIRVYNSPZSOFSA-FQEVSTJZSA-N 0 0 389.886 4.941 50 0 GJAARN CC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1 ZINC000014250453 221306777 /nfs/dbraw/zinc/30/67/77/221306777.db2.gz OFOMONJGQXPEFR-UHFFFAOYSA-N 0 0 385.876 4.598 50 0 GJAARN Cc1cnc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)s1 ZINC000014249271 221307304 /nfs/dbraw/zinc/30/73/04/221307304.db2.gz KFMRXZVILMDFLR-UHFFFAOYSA-N 0 0 384.848 4.803 50 0 GJAARN Cc1ccc2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2n1 ZINC000014358791 221308881 /nfs/dbraw/zinc/30/88/81/221308881.db2.gz GGLRKVSCVPYGGI-UHFFFAOYSA-N 0 0 385.261 4.632 50 0 GJAARN O=C(CCC(F)(F)F)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000014967425 221322306 /nfs/dbraw/zinc/32/23/06/221322306.db2.gz PHMJARJGAVYBEL-CYBMUJFWSA-N 0 0 389.826 4.831 50 0 GJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000014575058 221312647 /nfs/dbraw/zinc/31/26/47/221312647.db2.gz MFPTZLAOLYJONZ-GFCCVEGCSA-N 0 0 389.833 4.662 50 0 GJAARN O=C(Nc1ccc(F)cc1)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 ZINC000014609570 221313167 /nfs/dbraw/zinc/31/31/67/221313167.db2.gz IFTLYYYQRPJXGH-UHFFFAOYSA-N 0 0 392.821 4.979 50 0 GJAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3cccc(OC)c3)s2)c1C ZINC000014608849 221313512 /nfs/dbraw/zinc/31/35/12/221313512.db2.gz AVMHIOSJNHCCQZ-UHFFFAOYSA-N 0 0 398.532 4.858 50 0 GJAARN CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000014609715 221313662 /nfs/dbraw/zinc/31/36/62/221313662.db2.gz HFHPWLNEPGAAST-UHFFFAOYSA-N 0 0 386.430 4.888 50 0 GJAARN O=C(Nc1cccc(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609721 221313719 /nfs/dbraw/zinc/31/37/19/221313719.db2.gz LDMVCFSCDBCKIG-UHFFFAOYSA-N 0 0 392.821 4.979 50 0 GJAARN C[C@H](NC(=O)CSc1n[nH]c(-c2cccs2)n1)c1ccc2ccccc2c1 ZINC000015227772 221333845 /nfs/dbraw/zinc/33/38/45/221333845.db2.gz XTHYCNBCFFPJKZ-ZDUSSCGKSA-N 0 0 394.525 4.656 50 0 GJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1c(Cl)cccc1Cl ZINC000015227933 221334292 /nfs/dbraw/zinc/33/42/92/221334292.db2.gz NGCXWPOAOHCGSB-UHFFFAOYSA-N 0 0 385.301 4.571 50 0 GJAARN Cc1ccc(C(=O)N/C(=C/C=C\c2ccccc2)C(=O)NC2CCCCC2)cc1 ZINC000015356992 221335298 /nfs/dbraw/zinc/33/52/98/221335298.db2.gz GREVXJWOURTWRD-RTCKTPHJSA-N 0 0 388.511 4.771 50 0 GJAARN Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3cccs3)C2=O)c1C ZINC000015413632 221335874 /nfs/dbraw/zinc/33/58/74/221335874.db2.gz FWNSNJNJKLPDJD-NRFANRHFSA-N 0 0 394.471 4.625 50 0 GJAARN Cc1cc(-n2c(C)cc(C3=NNC(=Nc4cccc(Cl)c4)SC3)c2C)no1 ZINC000015452824 221336524 /nfs/dbraw/zinc/33/65/24/221336524.db2.gz PLHONSZRCIPMSS-UHFFFAOYSA-N 0 0 399.907 4.963 50 0 GJAARN Cc1c(C(=O)N2CCCCCCC2)sc2ncnc(NCc3ccco3)c12 ZINC000014993794 221324544 /nfs/dbraw/zinc/32/45/44/221324544.db2.gz AEOFDASOXTUIHH-UHFFFAOYSA-N 0 0 384.505 4.611 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCc1ccccc1C ZINC000015681444 221339714 /nfs/dbraw/zinc/33/97/14/221339714.db2.gz UPQZJQYCUHPITF-UHFFFAOYSA-N 0 0 384.483 4.518 50 0 GJAARN Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1cccc(Cl)c1C)n2C ZINC000015681822 221339946 /nfs/dbraw/zinc/33/99/46/221339946.db2.gz CMGYNLSPRLRRQL-UHFFFAOYSA-N 0 0 395.890 4.828 50 0 GJAARN CCCN(C(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)c1ccc(F)cc1 ZINC000015727527 221341140 /nfs/dbraw/zinc/34/11/40/221341140.db2.gz GNXBRGNFCUXOSG-UHFFFAOYSA-N 0 0 396.466 4.717 50 0 GJAARN CCN(Cc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1cccc(C)c1 ZINC000015731922 221342395 /nfs/dbraw/zinc/34/23/95/221342395.db2.gz WMUCETADLSNXTN-UHFFFAOYSA-N 0 0 382.533 4.534 50 0 GJAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000015774728 221345061 /nfs/dbraw/zinc/34/50/61/221345061.db2.gz PWUBIWGUUSNCAX-UHFFFAOYSA-N 0 0 386.455 4.534 50 0 GJAARN CC(=O)c1cccc(-n2c3c(c(SCc4cccc(C)c4)nc2=O)CCC3)c1 ZINC000015840543 221347964 /nfs/dbraw/zinc/34/79/64/221347964.db2.gz KYOWGBKAYAEDAR-UHFFFAOYSA-N 0 0 390.508 4.525 50 0 GJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc2nsnc2c1 ZINC000015841346 221347996 /nfs/dbraw/zinc/34/79/96/221347996.db2.gz MWYGHROHRCEWLE-UHFFFAOYSA-N 0 0 388.246 4.761 50 0 GJAARN CCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c2cccnc12 ZINC000015840819 221348251 /nfs/dbraw/zinc/34/82/51/221348251.db2.gz DFLRXBZTBNRGJO-UHFFFAOYSA-N 0 0 384.863 4.921 50 0 GJAARN CCc1ccc(OC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 ZINC000015964298 221353400 /nfs/dbraw/zinc/35/34/00/221353400.db2.gz XTUDIPQNMZWSFI-UHFFFAOYSA-N 0 0 383.469 4.538 50 0 GJAARN CCOC(=O)c1nc2c3ccccc3oc2c(NCc2cccc(Cl)c2)n1 ZINC000015869631 221351044 /nfs/dbraw/zinc/35/10/44/221351044.db2.gz ONQCOMLNGNHWQU-UHFFFAOYSA-N 0 0 381.819 4.818 50 0 GJAARN Cc1cc(C)cc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)c1 ZINC000015883050 221351367 /nfs/dbraw/zinc/35/13/67/221351367.db2.gz YJTOFVQTCPLDMQ-UHFFFAOYSA-N 0 0 384.838 4.558 50 0 GJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc2ccccc21 ZINC000015880950 221351472 /nfs/dbraw/zinc/35/14/72/221351472.db2.gz YEAZGNJBGAYQNJ-UHFFFAOYSA-N 0 0 387.464 4.730 50 0 GJAARN COc1ccc(CN(C)C(=S)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000016316473 221360616 /nfs/dbraw/zinc/36/06/16/221360616.db2.gz NXZOSGJLEZKGQU-UHFFFAOYSA-N 0 0 384.423 4.551 50 0 GJAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016602284 221365951 /nfs/dbraw/zinc/36/59/51/221365951.db2.gz VJKJBJSNSYYODP-UHFFFAOYSA-N 0 0 377.271 4.872 50 0 GJAARN O=C(c1cc(-c2ccc(Cl)cc2)[nH]c1NC1CCCCC1)N1CCOCC1 ZINC000016626026 221366557 /nfs/dbraw/zinc/36/65/57/221366557.db2.gz GQTGXNSTLUFGDF-UHFFFAOYSA-N 0 0 387.911 4.552 50 0 GJAARN CCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3cc(OC)ccc3nc21 ZINC000017207544 221380896 /nfs/dbraw/zinc/38/08/96/221380896.db2.gz KVAQMROPHHVHLK-UHFFFAOYSA-N 0 0 394.862 4.909 50 0 GJAARN Cn1c(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc21 ZINC000016695597 221369748 /nfs/dbraw/zinc/36/97/48/221369748.db2.gz DAWQKBZBELSJSJ-UHFFFAOYSA-N 0 0 399.372 4.782 50 0 GJAARN CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000016750818 221371213 /nfs/dbraw/zinc/37/12/13/221371213.db2.gz WRSSLFQVFBNCOV-UHFFFAOYSA-N 0 0 375.803 4.903 50 0 GJAARN Cc1cccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000016837471 221372114 /nfs/dbraw/zinc/37/21/14/221372114.db2.gz YTTJVJCKYXUSEL-UHFFFAOYSA-N 0 0 384.479 4.769 50 0 GJAARN CC(=O)c1cccc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)c1 ZINC000016850364 221373352 /nfs/dbraw/zinc/37/33/52/221373352.db2.gz TUJADBOPQAACCQ-UHFFFAOYSA-N 0 0 385.876 4.924 50 0 GJAARN Cc1cc(C)cc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 ZINC000016899417 221373748 /nfs/dbraw/zinc/37/37/48/221373748.db2.gz LYDXPUAHZCHVFJ-MRXNPFEDSA-N 0 0 394.418 4.764 50 0 GJAARN COc1cc(C(=O)Nc2nnc(C(C)C)s2)cc(Cl)c1OCC(C)C ZINC000016965884 221374335 /nfs/dbraw/zinc/37/43/35/221374335.db2.gz LCMDQMBAHJSJKR-UHFFFAOYSA-N 0 0 383.901 4.611 50 0 GJAARN O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@H](c3ccccc3)C[C@@H]12 ZINC000016957224 221374426 /nfs/dbraw/zinc/37/44/26/221374426.db2.gz RCHDAULJZFKSGX-LAUBAEHRSA-N 0 0 393.914 4.957 50 0 GJAARN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(Br)c(C)c2)cc1 ZINC000017052450 221375826 /nfs/dbraw/zinc/37/58/26/221375826.db2.gz HSYYYQAOBPQOGB-UHFFFAOYSA-N 0 0 394.276 4.938 50 0 GJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(Cl)cc2)CCS3)cc1 ZINC000017051248 221375939 /nfs/dbraw/zinc/37/59/39/221375939.db2.gz OSCKXTQSESFUSH-UHFFFAOYSA-N 0 0 383.904 4.548 50 0 GJAARN Cc1ccc(NC(=O)COc2cccc3ccc(N4CCCC4)nc32)cc1Cl ZINC000017120598 221379308 /nfs/dbraw/zinc/37/93/08/221379308.db2.gz 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221458388 /nfs/dbraw/zinc/45/83/88/221458388.db2.gz BMYONHFHEWVUAJ-UHFFFAOYSA-N 0 0 386.498 4.538 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531139 221496036 /nfs/dbraw/zinc/49/60/36/221496036.db2.gz YZMGAKKATSXKLH-OAQYLSRUSA-N 0 0 390.870 4.546 50 0 GJAARN O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000020608008 221503315 /nfs/dbraw/zinc/50/33/15/221503315.db2.gz XKMIXZAQDNJISG-UHFFFAOYSA-N 0 0 381.354 4.614 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)cc1 ZINC000021108033 221526086 /nfs/dbraw/zinc/52/60/86/221526086.db2.gz RGMCWBHISAOEOB-IBGZPJMESA-N 0 0 394.272 4.924 50 0 GJAARN CN(Cc1ccccc1)C(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000020855967 221514106 /nfs/dbraw/zinc/51/41/06/221514106.db2.gz ACUJANHBGJMYEA-UHFFFAOYSA-N 0 0 379.460 4.713 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1C)SCC(=O)N2 ZINC000020891717 221515790 /nfs/dbraw/zinc/51/57/90/221515790.db2.gz KPWGBCZBXDIOEU-IBGZPJMESA-N 0 0 383.904 4.917 50 0 GJAARN 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/nfs/dbraw/zinc/00/34/53/222003453.db2.gz HYXDYMWBRWUIPD-OAHLLOKOSA-N 0 0 399.878 4.595 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364576 222006798 /nfs/dbraw/zinc/00/67/98/222006798.db2.gz OQJXXPDSHAYYTH-INIZCTEOSA-N 0 0 394.858 4.507 50 0 GJAARN COc1ccccc1[C@@H](C)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000053175087 222007539 /nfs/dbraw/zinc/00/75/39/222007539.db2.gz CWUXCWWBIHLQNU-LLVKDONJSA-N 0 0 386.801 4.657 50 0 GJAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2cccnc2)c1 ZINC000055211338 222018413 /nfs/dbraw/zinc/01/84/13/222018413.db2.gz DXAGOWNSRCYFEW-UHFFFAOYSA-N 0 0 384.483 4.575 50 0 GJAARN O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(Cn2ccccc2=O)o1 ZINC000055381391 222020969 /nfs/dbraw/zinc/02/09/69/222020969.db2.gz GGPQSEWFTCPAGQ-UHFFFAOYSA-N 0 0 386.407 4.534 50 0 GJAARN CCCCOc1ccccc1-c1cc2c(=O)n(Cc3cccc(C)c3)ccn2n1 ZINC000064977387 222092715 /nfs/dbraw/zinc/09/27/15/222092715.db2.gz FYENKPDOBHNAGU-UHFFFAOYSA-N 0 0 387.483 4.699 50 0 GJAARN CCc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000064990422 222093460 /nfs/dbraw/zinc/09/34/60/222093460.db2.gz JMANSAPNQVVOSB-UHFFFAOYSA-N 0 0 399.494 4.774 50 0 GJAARN Cc1ccc(C(=O)NCc2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1 ZINC000065005096 222094667 /nfs/dbraw/zinc/09/46/67/222094667.db2.gz NMQIXLWCECCIDD-UHFFFAOYSA-N 0 0 385.423 4.767 50 0 GJAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCc2ccc(Cl)cc2)n1 ZINC000065009990 222095212 /nfs/dbraw/zinc/09/52/12/222095212.db2.gz GWCXSGPDRRPCJI-UHFFFAOYSA-N 0 0 381.819 4.683 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)nnn2Cc1ccccc1 ZINC000065030535 222095984 /nfs/dbraw/zinc/09/59/84/222095984.db2.gz BBDSZNXWKBELIM-UHFFFAOYSA-N 0 0 396.372 4.751 50 0 GJAARN CCn1cc(-c2nc(C(=O)Nc3cc(F)ccc3F)cs2)c2cccnc21 ZINC000065241098 222113775 /nfs/dbraw/zinc/11/37/75/222113775.db2.gz MAGRGPDCESOMCK-UHFFFAOYSA-N 0 0 384.411 4.710 50 0 GJAARN CC(=O)c1ccc(NC(=O)CCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000065061257 222097620 /nfs/dbraw/zinc/09/76/20/222097620.db2.gz CVJMLKAYDMMTMQ-UHFFFAOYSA-N 0 0 383.451 4.775 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c(Cl)c1 ZINC000065085014 222099115 /nfs/dbraw/zinc/09/91/15/222099115.db2.gz PISBQZXBXFJUJH-UHFFFAOYSA-N 0 0 391.901 4.795 50 0 GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000065084729 222099177 /nfs/dbraw/zinc/09/91/77/222099177.db2.gz ZOVBTYHKEGUIBY-UHFFFAOYSA-N 0 0 380.875 4.936 50 0 GJAARN Cc1ccc(Oc2nccnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000065110952 222100502 /nfs/dbraw/zinc/10/05/02/222100502.db2.gz OOZSQILJIKDROK-UHFFFAOYSA-N 0 0 379.485 4.925 50 0 GJAARN COc1ccc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)c(OC)c1 ZINC000065098144 222100836 /nfs/dbraw/zinc/10/08/36/222100836.db2.gz IJHKFMDKEBZKJV-UHFFFAOYSA-N 0 0 379.441 4.853 50 0 GJAARN O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000065135747 222103716 /nfs/dbraw/zinc/10/37/16/222103716.db2.gz ILPZMEUDBCEXBN-OAHLLOKOSA-N 0 0 397.400 4.581 50 0 GJAARN O=C(c1ccc(F)cc1F)N1CCC[C@H](c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000065135640 222103827 /nfs/dbraw/zinc/10/38/27/222103827.db2.gz DJTZIDHRNAQFGH-HNNXBMFYSA-N 0 0 397.400 4.581 50 0 GJAARN Cc1ccc(F)c(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000065153705 222104839 /nfs/dbraw/zinc/10/48/39/222104839.db2.gz KKPGJQDHCDKSKH-UHFFFAOYSA-N 0 0 384.414 4.905 50 0 GJAARN COc1ccc(-c2ncccc2CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000065171183 222106123 /nfs/dbraw/zinc/10/61/23/222106123.db2.gz XUWDDBNFNRGAFA-UHFFFAOYSA-N 0 0 386.373 4.706 50 0 biogenic GJAARN COc1ccc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)cc1OC ZINC000065184727 222107236 /nfs/dbraw/zinc/10/72/36/222107236.db2.gz HKDICNFEIFFLFC-UHFFFAOYSA-N 0 0 387.436 4.604 50 0 GJAARN CCOc1ccccc1Nc1nc(C)c(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000065184670 222107358 /nfs/dbraw/zinc/10/73/58/222107358.db2.gz VPUCIIDVLOSVFN-UHFFFAOYSA-N 0 0 397.456 4.575 50 0 GJAARN CN(Cc1ccccc1NC(=O)Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000058023193 222037992 /nfs/dbraw/zinc/03/79/92/222037992.db2.gz SRVPGPDPZHMMGQ-UHFFFAOYSA-N 0 0 388.895 4.888 50 0 GJAARN Cc1cc(C)c(C(=O)CCCC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000058010259 222038228 /nfs/dbraw/zinc/03/82/28/222038228.db2.gz FQDZCYVXUBWQDE-JOCHJYFZSA-N 0 0 379.500 4.565 50 0 GJAARN O=C(Nc1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1)c1ccco1 ZINC000058156904 222041079 /nfs/dbraw/zinc/04/10/79/222041079.db2.gz LMFYSRQOAJNTRO-OAQYLSRUSA-N 0 0 386.451 4.824 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000058168038 222042442 /nfs/dbraw/zinc/04/24/42/222042442.db2.gz NTIJXKQDBZWNBR-UHFFFAOYSA-N 0 0 381.505 4.706 50 0 GJAARN Cc1nccn1CCCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000058392383 222050678 /nfs/dbraw/zinc/05/06/78/222050678.db2.gz ADMJRIGTJKRSCR-UHFFFAOYSA-N 0 0 380.517 4.613 50 0 GJAARN COc1ccc(-n2ccc(CNc3ncc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000058404430 222052115 /nfs/dbraw/zinc/05/21/15/222052115.db2.gz RILBQQKIWDQTBC-UHFFFAOYSA-N 0 0 382.773 4.560 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1c(F)cccc1F ZINC000058415838 222052653 /nfs/dbraw/zinc/05/26/53/222052653.db2.gz FQBUKQWSGSTKQM-UHFFFAOYSA-N 0 0 394.780 4.693 50 0 GJAARN Cc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 ZINC000058482497 222054678 /nfs/dbraw/zinc/05/46/78/222054678.db2.gz ZQBMEVXLMRTKKA-UHFFFAOYSA-N 0 0 396.494 4.613 50 0 GJAARN O=C(NC[C@]1(c2ccccc2)CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000065226132 222112501 /nfs/dbraw/zinc/11/25/01/222112501.db2.gz WEMJFRSFQWLTSD-FQEVSTJZSA-N 0 0 377.406 4.574 50 0 GJAARN CCn1cc(-c2cc(C(=O)N(C)C3CCCCCC3)c3ccccc3n2)cn1 ZINC000063856938 222068533 /nfs/dbraw/zinc/06/85/33/222068533.db2.gz WURWMHKJTCZOPT-UHFFFAOYSA-N 0 0 376.504 4.913 50 0 GJAARN CCN(C)C(=O)c1cc(-c2cnc(C(C)(C)C)nc2)nc2c(C)c(C)ccc12 ZINC000063856839 222069325 /nfs/dbraw/zinc/06/93/25/222069325.db2.gz MLQREYBPQGHIHK-UHFFFAOYSA-N 0 0 376.504 4.698 50 0 GJAARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCC[C@@H](C)C1 ZINC000063883768 222069404 /nfs/dbraw/zinc/06/94/04/222069404.db2.gz OOSOWFGDGLOFFZ-QGZVFWFLSA-N 0 0 376.504 4.860 50 0 GJAARN COc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2OC(C)C)cc1Cl ZINC000064439020 222070092 /nfs/dbraw/zinc/07/00/92/222070092.db2.gz OLQROVWQMAMBCO-UHFFFAOYSA-N 0 0 399.878 4.948 50 0 GJAARN Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c(Cl)c1 ZINC000064581027 222075551 /nfs/dbraw/zinc/07/55/51/222075551.db2.gz DLFSZKQGFHHOFC-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN CSc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)c1 ZINC000064658251 222075955 /nfs/dbraw/zinc/07/59/55/222075955.db2.gz GQKBKLOMYGLZIX-UHFFFAOYSA-N 0 0 395.553 4.889 50 0 GJAARN COc1ccccc1NC(=O)N1CCc2nc(-c3ccc(C)cc3)sc2C1 ZINC000064659969 222077061 /nfs/dbraw/zinc/07/70/61/222077061.db2.gz OKDBTRYSRMFNER-UHFFFAOYSA-N 0 0 379.485 4.717 50 0 GJAARN CCOC(=O)CC1=CC(SCc2cccc(OC)c2)=Nc2ccccc2N1 ZINC000064661310 222077656 /nfs/dbraw/zinc/07/76/56/222077656.db2.gz MFAQJKCVOGWLHM-UHFFFAOYSA-N 0 0 382.485 4.921 50 0 GJAARN CCc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(F)c4)c3N)n2)cc1 ZINC000064664535 222078061 /nfs/dbraw/zinc/07/80/61/222078061.db2.gz DJEFXNVPVLLVSV-UHFFFAOYSA-N 0 0 379.464 4.650 50 0 GJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2C)n1 ZINC000064747585 222080182 /nfs/dbraw/zinc/08/01/82/222080182.db2.gz AEEDFQYPSQFIMC-SFHVURJKSA-N 0 0 392.459 4.731 50 0 GJAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000064747447 222080972 /nfs/dbraw/zinc/08/09/72/222080972.db2.gz CCFGTVGNQOBGSR-QGZVFWFLSA-N 0 0 398.850 4.768 50 0 GJAARN CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C ZINC000064837551 222083463 /nfs/dbraw/zinc/08/34/63/222083463.db2.gz SBWZWPNNCGYCMQ-UHFFFAOYSA-N 0 0 384.501 4.938 50 0 GJAARN COc1ccc2c(c1)NC1(CCN(C(=O)CC3CCCCC3)CC1)c1cccn1-2 ZINC000064848272 222085442 /nfs/dbraw/zinc/08/54/42/222085442.db2.gz GAVLDBGBHILJKI-UHFFFAOYSA-N 0 0 393.531 4.700 50 0 biogenic GJAARN COc1ccc(NC(=O)c2sc(-c3cn(C)c4ncccc34)nc2C)c(C)c1 ZINC000065240863 222115239 /nfs/dbraw/zinc/11/52/39/222115239.db2.gz NOZOLGXAPUKZDB-UHFFFAOYSA-N 0 0 392.484 4.575 50 0 GJAARN O=C(Cn1cnc(-c2nc(-c3ccccc3)cs2)c1)Nc1cccc(Cl)c1 ZINC000065250481 222116780 /nfs/dbraw/zinc/11/67/80/222116780.db2.gz VLVBYZKFOZGZEK-UHFFFAOYSA-N 0 0 394.887 4.966 50 0 GJAARN COC(=O)c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000065322769 222123613 /nfs/dbraw/zinc/12/36/13/222123613.db2.gz FJPDHRYCUAUMRY-UHFFFAOYSA-N 0 0 378.819 4.580 50 0 GJAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2cnn(-c3ccc(F)cc3)c2N1 ZINC000065331500 222124683 /nfs/dbraw/zinc/12/46/83/222124683.db2.gz WEJOUOIIYMWJIY-HNNXBMFYSA-N 0 0 375.325 4.504 50 0 GJAARN CC(C)COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000065331510 222124796 /nfs/dbraw/zinc/12/47/96/222124796.db2.gz BDULHOPCGOUETO-IBGZPJMESA-N 0 0 379.435 4.520 50 0 GJAARN CCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1ccccc1-n1ccnc1 ZINC000065385712 222126092 /nfs/dbraw/zinc/12/60/92/222126092.db2.gz SCQBGQDEBUPDKD-UHFFFAOYSA-N 0 0 394.482 4.668 50 0 GJAARN CC[N@H+](C)C(C)(C)Cn1cnc(-c2ccccc2)c1-c1ccc(C(=O)[O-])cc1 ZINC000065406297 222127548 /nfs/dbraw/zinc/12/75/48/222127548.db2.gz KDRQTAFBNVTTAA-UHFFFAOYSA-N 0 0 377.488 4.646 50 0 GJAARN Cn1ccnc1Sc1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000065492030 222131051 /nfs/dbraw/zinc/13/10/51/222131051.db2.gz BZXYVYMSBOZABS-UHFFFAOYSA-N 0 0 379.272 4.525 50 0 GJAARN COc1cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)cc(Cl)c1O ZINC000065529963 222133592 /nfs/dbraw/zinc/13/35/92/222133592.db2.gz QFLFTNWZNNXIJW-MRXNPFEDSA-N 0 0 384.863 4.764 50 0 GJAARN Cc1c(C(=O)Nc2ccc3nc(C(C)C)sc3c2)cnn1-c1ccccn1 ZINC000066284174 222138852 /nfs/dbraw/zinc/13/88/52/222138852.db2.gz ATRHZOINIYVEFZ-UHFFFAOYSA-N 0 0 377.473 4.561 50 0 GJAARN Cc1ccc(Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1C ZINC000067258319 222141982 /nfs/dbraw/zinc/14/19/82/222141982.db2.gz WLXRPMYWFJWEHS-UHFFFAOYSA-N 0 0 396.899 4.532 50 0 GJAARN O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1C1CCCC1 ZINC000067259433 222142604 /nfs/dbraw/zinc/14/26/04/222142604.db2.gz SXCHFAZGMGFFEV-UHFFFAOYSA-N 0 0 380.469 4.533 50 0 GJAARN Fc1cc(F)cc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c1 ZINC000067262194 222143349 /nfs/dbraw/zinc/14/33/49/222143349.db2.gz GFIJGAIJVFTQIW-UHFFFAOYSA-N 0 0 387.393 4.835 50 0 GJAARN CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067293202 222143824 /nfs/dbraw/zinc/14/38/24/222143824.db2.gz ALWAQLZCBKONQH-BZZOAKBMSA-N 0 0 385.423 4.581 50 0 GJAARN O=C(c1cnc2ccc(F)cc2c1NCCc1cccs1)N1CCCCC1 ZINC000067288520 222143997 /nfs/dbraw/zinc/14/39/97/222143997.db2.gz KFBLAQKUWOYWDE-UHFFFAOYSA-N 0 0 383.492 4.716 50 0 GJAARN Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c(C)c1 ZINC000067297839 222144661 /nfs/dbraw/zinc/14/46/61/222144661.db2.gz IGIXTSTXGDQLCH-LCUIJRPUSA-N 0 0 399.450 4.943 50 0 GJAARN Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299167 222145518 /nfs/dbraw/zinc/14/55/18/222145518.db2.gz RQQPJNAQXDVTDW-BZZOAKBMSA-N 0 0 388.423 4.511 50 0 GJAARN COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 ZINC000067297391 222145524 /nfs/dbraw/zinc/14/55/24/222145524.db2.gz QYHBWACTJMYDQW-RWEWTDSWSA-N 0 0 398.418 4.704 50 0 GJAARN Cc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298234 222145676 /nfs/dbraw/zinc/14/56/76/222145676.db2.gz JCVUSJSBOKIQIU-NMWGTECJSA-N 0 0 395.415 4.527 50 0 GJAARN Fc1ccc(-c2n[nH]cc2Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)cc1 ZINC000067756317 222157612 /nfs/dbraw/zinc/15/76/12/222157612.db2.gz MDWIICAYOYRCQP-GOSISDBHSA-N 0 0 388.446 4.632 50 0 GJAARN Cc1ccc(-c2cc(O)c3c(c2)CN(c2nccc4occc42)CCO3)s1 ZINC000067821129 222161401 /nfs/dbraw/zinc/16/14/01/222161401.db2.gz DXCHBFSSEGOBGW-UHFFFAOYSA-N 0 0 378.453 4.969 50 0 GJAARN Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(Cc1cccc(F)c1)C2 ZINC000067921167 222168106 /nfs/dbraw/zinc/16/81/06/222168106.db2.gz UFOCAHDMBGGFGP-UHFFFAOYSA-N 0 0 384.838 4.641 50 0 GJAARN Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 ZINC000069417983 222172269 /nfs/dbraw/zinc/17/22/69/222172269.db2.gz ZFOKKBLFERDAES-GOEBONIOSA-N 0 0 378.925 4.934 50 0 GJAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000069419414 222172578 /nfs/dbraw/zinc/17/25/78/222172578.db2.gz LMYCUZCKDFPHST-HNNXBMFYSA-N 0 0 385.847 4.635 50 0 GJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)c(N2CCCC2=O)c1 ZINC000069926896 222174717 /nfs/dbraw/zinc/17/47/17/222174717.db2.gz XIPJVPUXYRGSBX-UHFFFAOYSA-N 0 0 389.430 4.575 50 0 GJAARN O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071752435 222191034 /nfs/dbraw/zinc/19/10/34/222191034.db2.gz NYGXMGCOZRRDGT-GOSISDBHSA-N 0 0 377.463 4.701 50 0 GJAARN Cc1nc2ccc3nc(NC(=O)Nc4ccc5c(c4)OCO5)sc3c2s1 ZINC000070655595 222177282 /nfs/dbraw/zinc/17/72/82/222177282.db2.gz DGWKIXNJBJTWTC-UHFFFAOYSA-N 0 0 384.442 4.587 50 0 GJAARN O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccc(O)c(Cl)c1)CC(=O)N2 ZINC000071281684 222178167 /nfs/dbraw/zinc/17/81/67/222178167.db2.gz DRSGLDCIQNWYNF-AWEZNQCLSA-N 0 0 389.883 4.944 50 0 GJAARN O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c21)Nc1cc(F)ccc1F ZINC000071328121 222182274 /nfs/dbraw/zinc/18/22/74/222182274.db2.gz HUQLGIFWMWPACB-UHFFFAOYSA-N 0 0 396.422 4.634 50 0 GJAARN Cc1cc(C(=O)N2CCc3onc(-c4cccc5ccccc54)c3C2)ccc1O ZINC000071419479 222183787 /nfs/dbraw/zinc/18/37/87/222183787.db2.gz UPOJUYICGQNKQF-UHFFFAOYSA-N 0 0 384.435 4.707 50 0 GJAARN Cc1nc(C(=O)N2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)c(C)o1 ZINC000071614821 222184855 /nfs/dbraw/zinc/18/48/55/222184855.db2.gz ALGNTFCZRLGFLH-INIZCTEOSA-N 0 0 380.410 4.795 50 0 GJAARN Cc1nc2cccc(C(=O)N3CCC[C@H](CCc4c(F)cccc4F)C3)c2[nH]1 ZINC000071613895 222185173 /nfs/dbraw/zinc/18/51/73/222185173.db2.gz VULWYDJXYHKLTF-OAHLLOKOSA-N 0 0 383.442 4.635 50 0 GJAARN COc1ccc2cc([C@@H]3CN(c4ccc(-c5ccccc5)nn4)CCO3)ccc2c1 ZINC000071751292 222192726 /nfs/dbraw/zinc/19/27/26/222192726.db2.gz BOXUAJQFAJWSKR-DEOSSOPVSA-N 0 0 397.478 4.883 50 0 GJAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1OC1CCCC1 ZINC000071805079 222198573 /nfs/dbraw/zinc/19/85/73/222198573.db2.gz DITVNVGWWMTAAW-UHFFFAOYSA-N 0 0 387.863 4.614 50 0 GJAARN FC(F)(F)c1cccc(CC[C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)c1 ZINC000072129766 222209370 /nfs/dbraw/zinc/20/93/70/222209370.db2.gz ZWCTWUXEHNGUKV-OAHLLOKOSA-N 0 0 379.426 4.811 50 0 GJAARN COc1cc(C(=O)Nc2cccc3c2ccn3CC(C)C)cc(OC)c1OC ZINC000072325850 222227243 /nfs/dbraw/zinc/22/72/43/222227243.db2.gz QKARJKOMYFONLT-UHFFFAOYSA-N 0 0 382.460 4.575 50 0 biogenic GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2cccc(OCC)c2)cc1 ZINC000072328984 222228902 /nfs/dbraw/zinc/22/89/02/222228902.db2.gz CKQNDCHPCPLTTQ-UHFFFAOYSA-N 0 0 393.487 4.584 50 0 GJAARN Cc1ccc(OCc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000072333569 222230835 /nfs/dbraw/zinc/23/08/35/222230835.db2.gz MBEYMZNFIJLINI-UHFFFAOYSA-N 0 0 380.517 4.541 50 0 GJAARN Cn1cc(CCCC(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000072405586 222255568 /nfs/dbraw/zinc/25/55/68/222255568.db2.gz LVKOHDZGLAJIQR-UHFFFAOYSA-N 0 0 376.485 4.658 50 0 GJAARN CN(C(=O)c1cccc(C(=O)N(C)c2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000089365229 222326804 /nfs/dbraw/zinc/32/68/04/222326804.db2.gz PWWUPVFEGPACAT-UHFFFAOYSA-N 0 0 380.394 4.518 50 0 GJAARN CCCCn1ccnc1C1CCN(C(=O)c2ccc3sc(C)nc3c2)CC1 ZINC000095501128 222333512 /nfs/dbraw/zinc/33/35/12/222333512.db2.gz OETVSLVPEHOTIF-UHFFFAOYSA-N 0 0 382.533 4.621 50 0 GJAARN COc1ccccc1OC1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000095499032 222334214 /nfs/dbraw/zinc/33/42/14/222334214.db2.gz PJIKZXOVURHCFA-UHFFFAOYSA-N 0 0 378.831 4.563 50 0 GJAARN Cc1cc(C)nc(CNC(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)n1 ZINC000095512341 222342736 /nfs/dbraw/zinc/34/27/36/222342736.db2.gz LBPHCJRIZSBTLF-HXUWFJFHSA-N 0 0 379.891 4.585 50 0 GJAARN O=C(CCSc1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000077200214 222276609 /nfs/dbraw/zinc/27/66/09/222276609.db2.gz MFCDGWBJAHJWJY-MOPGFXCFSA-N 0 0 398.528 4.845 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000077356058 222279930 /nfs/dbraw/zinc/27/99/30/222279930.db2.gz YCLPYXIGJBZULD-LJQANCHMSA-N 0 0 376.456 4.675 50 0 GJAARN O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccc(F)c1 ZINC000079068600 222301736 /nfs/dbraw/zinc/30/17/36/222301736.db2.gz FIZMPDHBHHGLIL-UHFFFAOYSA-N 0 0 393.805 4.635 50 0 GJAARN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ncnc4cc(F)c(F)cc43)cc2)n1 ZINC000079106168 222303470 /nfs/dbraw/zinc/30/34/70/222303470.db2.gz ATPQSAKLRPTWPJ-AWEZNQCLSA-N 0 0 379.414 4.884 50 0 GJAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)ccn2)C12CCCC2 ZINC000079484113 222305514 /nfs/dbraw/zinc/30/55/14/222305514.db2.gz HEIYTSXNVQYONC-DYESRHJHSA-N 0 0 391.515 4.679 50 0 GJAARN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 ZINC000079484749 222306108 /nfs/dbraw/zinc/30/61/08/222306108.db2.gz AODSSAYRPFBSJU-UHFFFAOYSA-N 0 0 395.875 4.511 50 0 GJAARN Cc1ccccc1C1(O)CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000084235207 222314158 /nfs/dbraw/zinc/31/41/58/222314158.db2.gz BQPZHAMUDLHPBW-UHFFFAOYSA-N 0 0 379.431 4.518 50 0 GJAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccnc(OCc2ccccc2)c1 ZINC000084541234 222315849 /nfs/dbraw/zinc/31/58/49/222315849.db2.gz XHEBZWBWMHCAON-IBGZPJMESA-N 0 0 394.471 4.767 50 0 GJAARN C=CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)cc1 ZINC000095947728 222362078 /nfs/dbraw/zinc/36/20/78/222362078.db2.gz COWDEQBGCOFKMH-UHFFFAOYSA-N 0 0 397.525 4.543 50 0 GJAARN COc1cccnc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000095961188 222365907 /nfs/dbraw/zinc/36/59/07/222365907.db2.gz RALUXNSYLMJJKE-UHFFFAOYSA-N 0 0 390.226 4.837 50 0 GJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000095962660 222365923 /nfs/dbraw/zinc/36/59/23/222365923.db2.gz GKELTFGPDXKIIO-UHFFFAOYSA-N 0 0 395.271 4.721 50 0 GJAARN Cc1ccc(-c2ocnc2C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1 ZINC000095961432 222366047 /nfs/dbraw/zinc/36/60/47/222366047.db2.gz JNLIJWMDJKVEJF-UHFFFAOYSA-N 0 0 398.422 4.550 50 0 GJAARN Cc1c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cnn1C1CCOCC1 ZINC000095980828 222367499 /nfs/dbraw/zinc/36/74/99/222367499.db2.gz OMTLFJUCWGBUSY-UHFFFAOYSA-N 0 0 396.516 4.536 50 0 GJAARN Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccncc4)c3C)sc2C)s1 ZINC000095976770 222367533 /nfs/dbraw/zinc/36/75/33/222367533.db2.gz XRWSNQQHCVAWPN-UHFFFAOYSA-N 0 0 395.513 4.630 50 0 GJAARN C[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096096131 222377945 /nfs/dbraw/zinc/37/79/45/222377945.db2.gz VGNOAVMWVOGINJ-NHAQELONSA-N 0 0 387.361 4.646 50 0 GJAARN CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc(OC)c2)no1 ZINC000096096045 222378779 /nfs/dbraw/zinc/37/87/79/222378779.db2.gz QGZLGJKUMYNYLR-QZLFRKKKSA-N 0 0 391.471 4.662 50 0 GJAARN O=C(CCSc1ccccc1)Nc1ccccc1Cc1nc(C2CC2)no1 ZINC000096119601 222384361 /nfs/dbraw/zinc/38/43/61/222384361.db2.gz YOHMFUXGRGBKOY-UHFFFAOYSA-N 0 0 379.485 4.659 50 0 GJAARN Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)cc1 ZINC000096137268 222386058 /nfs/dbraw/zinc/38/60/58/222386058.db2.gz UFVSFJIAELTSTH-JQIJEIRASA-N 0 0 378.497 4.588 50 0 GJAARN CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000096135680 222386632 /nfs/dbraw/zinc/38/66/32/222386632.db2.gz VEUXRBZPQSRDBY-NRFANRHFSA-N 0 0 384.476 4.910 50 0 GJAARN COCCn1ccc2ccc(C(=O)N[C@@H]3CCCc4c5ccccc5[nH]c43)cc21 ZINC000096230782 222402163 /nfs/dbraw/zinc/40/21/63/222402163.db2.gz UGNDAYKPQPHKLI-OAQYLSRUSA-N 0 0 387.483 4.576 50 0 GJAARN CCCCN(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC(C)(C)C ZINC000096293123 222410091 /nfs/dbraw/zinc/41/00/91/222410091.db2.gz LFIMXEMGALSHNU-UHFFFAOYSA-N 0 0 377.916 4.997 50 0 GJAARN CC[C@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccc(C)cc1 ZINC000096293459 222410434 /nfs/dbraw/zinc/41/04/34/222410434.db2.gz NEEWNEFJXUDKSV-KRWDZBQOSA-N 0 0 393.487 4.537 50 0 GJAARN CSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccccc1 ZINC000096399296 222419016 /nfs/dbraw/zinc/41/90/16/222419016.db2.gz OJPGYLIZOJHQQM-UHFFFAOYSA-N 0 0 392.528 4.583 50 0 GJAARN Cc1nc2cc(NC(=O)/C=C\c3cc(Br)ccc3F)ccc2o1 ZINC000096856810 222426632 /nfs/dbraw/zinc/42/66/32/222426632.db2.gz YWYMGDALZIXSJI-UQCOIBPSSA-N 0 0 375.197 4.690 50 0 GJAARN Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000098055053 222452901 /nfs/dbraw/zinc/45/29/01/222452901.db2.gz UJNYBXGQKTWQEY-SEYXRHQNSA-N 0 0 384.432 4.734 50 0 GJAARN Cc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3F)C2)cc1 ZINC000101352798 222470489 /nfs/dbraw/zinc/47/04/89/222470489.db2.gz PAFTYJKFWSEELQ-QGZVFWFLSA-N 0 0 385.240 4.544 50 0 GJAARN CCc1ccccc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@H]2C1=O ZINC000101946539 222477979 /nfs/dbraw/zinc/47/79/79/222477979.db2.gz DLNSQOWAZVNHRV-GOSISDBHSA-N 0 0 389.499 4.724 50 0 GJAARN COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1F ZINC000189690087 222565246 /nfs/dbraw/zinc/56/52/46/222565246.db2.gz HSOVBADBSKLYQP-HXUWFJFHSA-N 0 0 393.462 4.521 50 0 GJAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008164872 533914180 /nfs/dbraw/zinc/91/41/80/533914180.db2.gz GMDOQTXLFZVGNI-HSZRJFAPSA-N 0 0 386.451 4.533 50 0 GJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012848644 534526780 /nfs/dbraw/zinc/52/67/80/534526780.db2.gz KIIMZWLVZJWSLC-UHFFFAOYSA-N 0 0 375.453 4.955 50 0 GJAARN COc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000003322668 523589054 /nfs/dbraw/zinc/58/90/54/523589054.db2.gz GKFJPKGACJNSLA-UHFFFAOYSA-N 0 0 387.391 4.543 50 0 GJAARN Cc1c2ccc3ccccc3c2oc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000006994745 525968342 /nfs/dbraw/zinc/96/83/42/525968342.db2.gz UIZOUDXTUNLENV-UHFFFAOYSA-N 0 0 394.377 4.541 50 0 GJAARN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095496751 526674971 /nfs/dbraw/zinc/67/49/71/526674971.db2.gz FJUBETPPFOJTPD-KRWDZBQOSA-N 0 0 386.565 4.591 50 0 GJAARN O=C(/C=C/c1ccc(F)cc1)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000003321735 527611445 /nfs/dbraw/zinc/61/14/45/527611445.db2.gz MXAOGONJYWMHAA-NTCAYCPXSA-N 0 0 375.399 4.688 50 0 GJAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@H](c2c(F)cccc2Cl)S1 ZINC000095473334 528153648 /nfs/dbraw/zinc/15/36/48/528153648.db2.gz SXFWPEVNQABUMC-HNNXBMFYSA-N 0 0 381.860 4.619 50 0 GJAARN CCCCc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1 ZINC000051316224 535090688 /nfs/dbraw/zinc/09/06/88/535090688.db2.gz ADXUKBXUMIGSQG-UHFFFAOYSA-N 0 0 394.515 4.691 50 0 GJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1 ZINC000065023620 536189152 /nfs/dbraw/zinc/18/91/52/536189152.db2.gz VUYIRWXZZSAYEJ-HXUWFJFHSA-N 0 0 386.499 4.561 50 0 GJAARN O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(F)cc3)sc2n1 ZINC000005020529 560200446 /nfs/dbraw/zinc/20/04/46/560200446.db2.gz IWFKQTWYILKFGE-UHFFFAOYSA-N 0 0 376.412 4.899 50 0 in-vitro GJAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000019731603 570211532 /nfs/dbraw/zinc/21/15/32/570211532.db2.gz ONIBPRJWWZXPDC-INIZCTEOSA-N 0 0 392.524 4.757 50 0 GJAARN COc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000048004710 570216664 /nfs/dbraw/zinc/21/66/64/570216664.db2.gz SFGLSVJULWRHML-UHFFFAOYSA-N 0 0 386.451 4.524 50 0 GJAARN O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1 ZINC000000681038 570216744 /nfs/dbraw/zinc/21/67/44/570216744.db2.gz GSAJWCXFQZRTDJ-UHFFFAOYSA-N 0 0 391.427 4.761 50 0 GJAARN Cc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C)ccn3)ccc2Cl)c1 ZINC000000683224 570217465 /nfs/dbraw/zinc/21/74/65/570217465.db2.gz UMNRKCUQOZQBKN-UHFFFAOYSA-N 0 0 379.847 4.856 50 0 GJAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000000703871 570218554 /nfs/dbraw/zinc/21/85/54/570218554.db2.gz LECSKXCHCMEDJO-HXUWFJFHSA-N 0 0 381.479 4.914 50 0 GJAARN Fc1ccc(F)c([C@@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)c1 ZINC000019789047 570219162 /nfs/dbraw/zinc/21/91/62/570219162.db2.gz LVGAMXBAAISRSS-HSZRJFAPSA-N 0 0 392.453 4.680 50 0 GJAARN O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000044017970 570219580 /nfs/dbraw/zinc/21/95/80/570219580.db2.gz DRYZFZVTXYFFCQ-INIZCTEOSA-N 0 0 390.365 4.831 50 0 GJAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccccc1OC(F)(F)F ZINC000048237607 570222299 /nfs/dbraw/zinc/22/22/99/570222299.db2.gz YOTRYACASMJLLM-UKTHLTGXSA-N 0 0 392.402 4.918 50 0 GJAARN CC(=O)c1ccc(OCC(=O)Nc2nc3c(cccc3C(F)(F)F)s2)cc1 ZINC000012813309 570226972 /nfs/dbraw/zinc/22/69/72/570226972.db2.gz KSFYBKNIRLZFKW-UHFFFAOYSA-N 0 0 394.374 4.535 50 0 GJAARN Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCc1ccc(F)cc1)CO3 ZINC000019882491 570227459 /nfs/dbraw/zinc/22/74/59/570227459.db2.gz DHLDFEZMXGRKSE-UHFFFAOYSA-N 0 0 387.838 4.597 50 0 GJAARN Cc1c(C(=O)OC(C)C)sc2ncn(Cc3cccc4ccccc43)c(=O)c12 ZINC000000958749 570231819 /nfs/dbraw/zinc/23/18/19/570231819.db2.gz BGFYUUCFAGONEO-UHFFFAOYSA-N 0 0 392.480 4.533 50 0 GJAARN CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000004816840 570234445 /nfs/dbraw/zinc/23/44/45/570234445.db2.gz UISBEHVYNZPYSL-RBUKOAKNSA-N 0 0 380.879 4.655 50 0 GJAARN COc1ccc2[nH]c(C(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)cc2c1OC ZINC000048314680 570235313 /nfs/dbraw/zinc/23/53/13/570235313.db2.gz XWGVUKAKTQMNHT-XJKSGUPXSA-N 0 0 394.471 4.706 50 0 GJAARN Cc1cnc2c(cccc2S(=O)(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000048324502 570235731 /nfs/dbraw/zinc/23/57/31/570235731.db2.gz CFCRAYFREVCEOP-OAHLLOKOSA-N 0 0 384.526 4.623 50 0 GJAARN Cc1sc2ncnc(NCC(=O)OCc3cccc4ccccc43)c2c1C ZINC000006082762 570238667 /nfs/dbraw/zinc/23/86/67/570238667.db2.gz GFMLNELZMOUJHU-UHFFFAOYSA-N 0 0 377.469 4.617 50 0 GJAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000006083177 570238685 /nfs/dbraw/zinc/23/86/85/570238685.db2.gz UUBIWTRDKKNPDD-UHFFFAOYSA-N 0 0 379.363 4.947 50 0 GJAARN C[C@H](NC(=O)CSc1ncnc2sccc21)C12CC3CC(CC(C3)C1)C2 ZINC000006083360 570239243 /nfs/dbraw/zinc/23/92/43/570239243.db2.gz OFZONIUTVYGVRV-PGBBXINNSA-N 0 0 387.574 4.505 50 0 GJAARN O=C(CCn1ccc2c1cccc2Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000247760735 570240091 /nfs/dbraw/zinc/24/00/91/570240091.db2.gz HEFQERFZEROYCF-HXUWFJFHSA-N 0 0 392.890 4.925 50 0 GJAARN O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)cc1 ZINC000006093321 570242275 /nfs/dbraw/zinc/24/22/75/570242275.db2.gz YUYJNBGRDSVIDK-UHFFFAOYSA-N 0 0 389.889 4.517 50 0 GJAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000006097338 570242682 /nfs/dbraw/zinc/24/26/82/570242682.db2.gz KTBJMFIQLPITNO-IBGZPJMESA-N 0 0 396.491 4.616 50 0 GJAARN Cc1ccc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1C ZINC000026034049 570244461 /nfs/dbraw/zinc/24/44/61/570244461.db2.gz JJRDHXNKDJXBQM-UHFFFAOYSA-N 0 0 387.505 4.516 50 0 GJAARN 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C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 ZINC000072303762 570260890 /nfs/dbraw/zinc/26/08/90/570260890.db2.gz OIBYELHHFAHYQV-AWEZNQCLSA-N 0 0 391.899 4.807 50 0 GJAARN O=C(c1ccc(Br)cc1)N1CCC[C@@H](COCc2ccccc2)C1 ZINC000049031495 570261246 /nfs/dbraw/zinc/26/12/46/570261246.db2.gz ONKFBOMRAICSMB-QGZVFWFLSA-N 0 0 388.305 4.518 50 0 GJAARN Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)c(C)c1 ZINC000049003585 570261780 /nfs/dbraw/zinc/26/17/80/570261780.db2.gz TYEZGQFLFDPWGN-UHFFFAOYSA-N 0 0 397.482 4.815 50 0 GJAARN CSc1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)c1 ZINC000049004613 570262018 /nfs/dbraw/zinc/26/20/18/570262018.db2.gz ILTRMEBZCGQXKC-UHFFFAOYSA-N 0 0 378.501 4.640 50 0 GJAARN Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000043037421 570262016 /nfs/dbraw/zinc/26/20/16/570262016.db2.gz BWJSFLQCQPPZPH-ZWKOTPCHSA-N 0 0 378.472 4.618 50 0 GJAARN COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc32)cc1Cl ZINC000049004547 570262111 /nfs/dbraw/zinc/26/21/11/570262111.db2.gz 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/nfs/dbraw/zinc/28/00/73/570280073.db2.gz KSLIXIYMLFMXEJ-UHFFFAOYSA-N 0 0 391.681 4.936 50 0 GJAARN Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCC3 ZINC000002363506 570284292 /nfs/dbraw/zinc/28/42/92/570284292.db2.gz CKFGLQPMRBFSES-UHFFFAOYSA-N 0 0 389.480 4.557 50 0 GJAARN COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000002415085 570286290 /nfs/dbraw/zinc/28/62/90/570286290.db2.gz HMDPIJFQSCMDNC-LLVKDONJSA-N 0 0 392.238 4.842 50 0 GJAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(O)c1)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000101996678 570286432 /nfs/dbraw/zinc/28/64/32/570286432.db2.gz MSMNYVHIMRGVNV-NVPYSNMXSA-N 0 0 395.458 4.635 50 0 GJAARN O=C1C[C@@H](c2ccccc2Cl)Cc2nc(N3CCc4ccccc43)ncc21 ZINC000002435015 570287049 /nfs/dbraw/zinc/28/70/49/570287049.db2.gz PWUCEIORIXZWDQ-HNNXBMFYSA-N 0 0 375.859 4.737 50 0 GJAARN CC(C)Oc1ccccc1/C=C1/N=C(c2ccccc2Br)OC1=O ZINC000000662854 570287184 /nfs/dbraw/zinc/28/71/84/570287184.db2.gz GUTQFYHNXZYLLH-LFIBNONCSA-N 0 0 386.245 4.581 50 0 GJAARN 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570292297 /nfs/dbraw/zinc/29/22/97/570292297.db2.gz YQNNYEPRLDKKAN-UHFFFAOYSA-N 0 0 385.423 4.521 50 0 GJAARN O=C(Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1Cl)c1cccs1 ZINC000012918323 570293343 /nfs/dbraw/zinc/29/33/43/570293343.db2.gz ZRBDDKKTMCANNR-UHFFFAOYSA-N 0 0 396.899 4.852 50 0 GJAARN CCOP(=O)(OCC)C(NC(=O)c1ccccc1Cl)=C(Cl)Cl ZINC000002674919 570294880 /nfs/dbraw/zinc/29/48/80/570294880.db2.gz JOPLKFJTZLCHBK-UHFFFAOYSA-N 0 0 386.599 4.940 50 0 GJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000021787131 570295906 /nfs/dbraw/zinc/29/59/06/570295906.db2.gz HCQGDMYRSYTJCW-IBGZPJMESA-N 0 0 385.870 4.951 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCc1cccnc1)c1ccccc1 ZINC000021819354 570297046 /nfs/dbraw/zinc/29/70/46/570297046.db2.gz PBZATMMOEOQGOH-LJQANCHMSA-N 0 0 385.389 4.570 50 0 GJAARN Cc1ncsc1C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000043269421 570297089 /nfs/dbraw/zinc/29/70/89/570297089.db2.gz CMGBUAKGJTWYCS-UHFFFAOYSA-N 0 0 394.319 4.898 50 0 GJAARN CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000021822072 570297303 /nfs/dbraw/zinc/29/73/03/570297303.db2.gz QASVJOXNEUBZKY-UHFFFAOYSA-N 0 0 395.915 4.937 50 0 GJAARN CCCOC(=O)c1cc(N2C(=O)c3cccc4cccc(c43)C2=O)ccc1Cl ZINC000002740185 570297325 /nfs/dbraw/zinc/29/73/25/570297325.db2.gz GWEUQVQXBKHXOI-UHFFFAOYSA-N 0 0 393.826 4.861 50 0 GJAARN CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC000002738837 570297331 /nfs/dbraw/zinc/29/73/31/570297331.db2.gz MHUDUEGGINDYGC-CYBMUJFWSA-N 0 0 387.501 4.701 50 0 GJAARN CC(=O)N[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCCC1 ZINC000021843817 570297413 /nfs/dbraw/zinc/29/74/13/570297413.db2.gz ZABNMZUQQSNHPC-HXUWFJFHSA-N 0 0 393.512 4.597 50 0 GJAARN CC(C)c1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 ZINC000012928501 570298658 /nfs/dbraw/zinc/29/86/58/570298658.db2.gz BIDRMQWRNZZBCO-LBPRGKRZSA-N 0 0 398.513 4.807 50 0 GJAARN CC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012929850 570298901 /nfs/dbraw/zinc/29/89/01/570298901.db2.gz UUAZCULHTPOZIS-HSZRJFAPSA-N 0 0 390.508 4.537 50 0 GJAARN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3cc(C)ccc3C)c(=O)oc2c1 ZINC000012929148 570298931 /nfs/dbraw/zinc/29/89/31/570298931.db2.gz QSLRPANJGNBGJN-KRWDZBQOSA-N 0 0 393.483 4.537 50 0 GJAARN COc1cc(-c2nc(C(=O)NCc3ccccc3)cs2)ccc1OCC(C)C ZINC000034712605 570303522 /nfs/dbraw/zinc/30/35/22/570303522.db2.gz GTWMLOYJMIEVBD-UHFFFAOYSA-N 0 0 396.512 4.784 50 0 GJAARN O=S(=O)(Oc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000002813180 570304471 /nfs/dbraw/zinc/30/44/71/570304471.db2.gz KCISBEBLENDEAT-UHFFFAOYSA-N 0 0 389.270 4.884 50 0 GJAARN COc1ccc(C2(CNC(=O)c3ccccc3C(F)(F)F)CCCC2)cc1 ZINC000021691315 570305890 /nfs/dbraw/zinc/30/58/90/570305890.db2.gz ASILQJHUQVXTKH-UHFFFAOYSA-N 0 0 377.406 4.956 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000002837699 570306428 /nfs/dbraw/zinc/30/64/28/570306428.db2.gz QRYLPADMWJAXLI-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000002843694 570307397 /nfs/dbraw/zinc/30/73/97/570307397.db2.gz FVXSYGFMACEWJH-ROUUACIJSA-N 0 0 399.940 4.861 50 0 GJAARN O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)N1CCCc2ccccc21 ZINC000002847271 570308035 /nfs/dbraw/zinc/30/80/35/570308035.db2.gz DTXYMQJLZWEPNY-UHFFFAOYSA-N 0 0 394.474 4.852 50 0 GJAARN NC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000002846360 570308089 /nfs/dbraw/zinc/30/80/89/570308089.db2.gz NLYQVLWTAIQIGK-UHFFFAOYSA-N 0 0 394.949 4.500 50 0 GJAARN Cc1cccc(N2CCN(C(=S)Nc3cccc4ccccc43)CC2)c1C ZINC000002855982 570309729 /nfs/dbraw/zinc/30/97/29/570309729.db2.gz QPNJQIBNVLOIQF-UHFFFAOYSA-N 0 0 375.541 4.976 50 0 GJAARN COc1cc(C)c(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1OC ZINC000024832063 570310764 /nfs/dbraw/zinc/31/07/64/570310764.db2.gz BCMNFUDQLCRGED-CMDGGOBGSA-N 0 0 382.847 4.866 50 0 GJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1cccc(Cl)c1Cl ZINC000002869540 570313559 /nfs/dbraw/zinc/31/35/59/570313559.db2.gz BDQNONPYFPNJBU-UHFFFAOYSA-N 0 0 379.272 4.509 50 0 GJAARN CCC(=O)c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000016093255 570315903 /nfs/dbraw/zinc/31/59/03/570315903.db2.gz UYZUGSSJIKGNFM-UHFFFAOYSA-N 0 0 392.782 4.719 50 0 GJAARN Cc1cc(C)n(-c2ccc(=S)n(CN(C)Cc3ccc(C(C)C)cc3)n2)n1 ZINC000012944607 570316239 /nfs/dbraw/zinc/31/62/39/570316239.db2.gz UNNOXGIMKSVKGW-UHFFFAOYSA-N 0 0 381.549 4.628 50 0 GJAARN CCCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)c2ccccc12 ZINC000002884158 570316357 /nfs/dbraw/zinc/31/63/57/570316357.db2.gz ZFZYDKQTRVRGNQ-UHFFFAOYSA-N 0 0 380.469 4.605 50 0 GJAARN O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1Cl ZINC000022458388 570317248 /nfs/dbraw/zinc/31/72/48/570317248.db2.gz ZVQWHKDUHNTORJ-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4Cl)o3)CCCCC2)no1 ZINC000012948244 570317300 /nfs/dbraw/zinc/31/73/00/570317300.db2.gz VOKIMLOVHXAYTC-UHFFFAOYSA-N 0 0 385.851 4.881 50 0 GJAARN COc1cccc(OCCCCOc2ccc(I)cc2)c1 ZINC000002904600 570317684 /nfs/dbraw/zinc/31/76/84/570317684.db2.gz XUQJMMWQSFFMPJ-UHFFFAOYSA-N 0 0 398.240 4.538 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000002916248 570318224 /nfs/dbraw/zinc/31/82/24/570318224.db2.gz BHTWLOLQXIJKDU-JTQLQIEISA-N 0 0 383.662 4.638 50 0 GJAARN Cc1cccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)c1C ZINC000010843823 570318349 /nfs/dbraw/zinc/31/83/49/570318349.db2.gz RGOOHYNZSHCTEQ-UHFFFAOYSA-N 0 0 391.437 4.973 50 0 GJAARN CCCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000002927870 570318433 /nfs/dbraw/zinc/31/84/33/570318433.db2.gz XZSAOUAUKSXMRI-IBGZPJMESA-N 0 0 394.500 4.943 50 0 GJAARN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1 ZINC000002950531 570319461 /nfs/dbraw/zinc/31/94/61/570319461.db2.gz VUVFSZNFPHRRFC-UHFFFAOYSA-N 0 0 394.427 4.582 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccncc2)cs1 ZINC000006189070 570319558 /nfs/dbraw/zinc/31/95/58/570319558.db2.gz PPBVPEKGAFRKDM-UHFFFAOYSA-N 0 0 380.256 4.529 50 0 GJAARN COc1ccc(-c2nc(COC(=O)CCc3ccsc3)cs2)cc1OC ZINC000024867382 570319608 /nfs/dbraw/zinc/31/96/08/570319608.db2.gz NVDSBZWWKUDFHR-UHFFFAOYSA-N 0 0 389.498 4.565 50 0 GJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccccc1SC(F)F ZINC000011672104 570320006 /nfs/dbraw/zinc/32/00/06/570320006.db2.gz NGBHGEUMNHFYLR-UHFFFAOYSA-N 0 0 398.485 4.579 50 0 GJAARN CCOC(=O)[C@H](CC)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002959400 570320201 /nfs/dbraw/zinc/32/02/01/570320201.db2.gz FXAQSRVPSOCYOW-FQEVSTJZSA-N 0 0 394.467 4.721 50 0 biogenic GJAARN COc1ccc(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000002977711 570321652 /nfs/dbraw/zinc/32/16/52/570321652.db2.gz NCRNIMJYNKSLKS-UHFFFAOYSA-N 0 0 390.465 4.622 50 0 GJAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000002980740 570322125 /nfs/dbraw/zinc/32/21/25/570322125.db2.gz LPRPIOHKPMRQSS-UHFFFAOYSA-N 0 0 397.725 4.846 50 0 GJAARN Cc1ccc(CSCCNC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000002980719 570322190 /nfs/dbraw/zinc/32/21/90/570322190.db2.gz YVHOMAYMNHSESL-UHFFFAOYSA-N 0 0 379.978 4.931 50 0 GJAARN CCCCc1nnc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)s1 ZINC000022573663 570322328 /nfs/dbraw/zinc/32/23/28/570322328.db2.gz SJISGMTUIKYNFM-UHFFFAOYSA-N 0 0 386.525 4.582 50 0 GJAARN CCCc1sc(N2CCN(C(=O)c3ccccc3)CC2)nc1-c1ccccc1 ZINC000002997958 570324920 /nfs/dbraw/zinc/32/49/20/570324920.db2.gz SDLUFCXKHIFTQF-UHFFFAOYSA-N 0 0 391.540 4.725 50 0 GJAARN Cc1cc(CSc2ncccc2C(=O)Nc2nc3c(cccc3C)s2)no1 ZINC000026365617 570325637 /nfs/dbraw/zinc/32/56/37/570325637.db2.gz VBWBFWNJUWTVAC-UHFFFAOYSA-N 0 0 396.497 4.841 50 0 GJAARN Cn1c(SCc2ccc(Br)cc2F)nnc1-c1ccccc1F ZINC000007235690 570326627 /nfs/dbraw/zinc/32/66/27/570326627.db2.gz VCKUORVVGJNVMK-UHFFFAOYSA-N 0 0 396.260 4.815 50 0 GJAARN CCCCSc1nnc(NC(=O)c2cc(Br)cs2)s1 ZINC000011690092 570328114 /nfs/dbraw/zinc/32/81/14/570328114.db2.gz CHGILCHGFNDSRZ-UHFFFAOYSA-N 0 0 378.342 4.507 50 0 GJAARN O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1Cc1ccccc1 ZINC000003109940 570328944 /nfs/dbraw/zinc/32/89/44/570328944.db2.gz APZDUZOMSZRDJA-UHFFFAOYSA-N 0 0 391.268 4.874 50 0 GJAARN Cc1cc(F)ccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 ZINC000022843336 570330990 /nfs/dbraw/zinc/33/09/90/570330990.db2.gz LNVZRDTXLWBRSM-UHFFFAOYSA-N 0 0 381.519 4.648 50 0 GJAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 ZINC000003182827 570331601 /nfs/dbraw/zinc/33/16/01/570331601.db2.gz LWWNPLIIXRJOOG-UHFFFAOYSA-N 0 0 376.243 4.505 50 0 GJAARN COc1ccc(OC)c(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 ZINC000007328984 570332319 /nfs/dbraw/zinc/33/23/19/570332319.db2.gz DPMVMPNSVWVJEL-UHFFFAOYSA-N 0 0 381.501 4.513 50 0 GJAARN CC(C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833704 570335512 /nfs/dbraw/zinc/33/55/12/570335512.db2.gz OFMXNDFIIJFSGT-UHFFFAOYSA-N 0 0 390.874 4.855 50 0 GJAARN CC(C)[C@@H](C)NC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833451 570335538 /nfs/dbraw/zinc/33/55/38/570335538.db2.gz SNINQNXJKOILQR-CQSZACIVSA-N 0 0 382.483 4.607 50 0 GJAARN CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)Cc1ccc(OC)cc1 ZINC000034794698 570336888 /nfs/dbraw/zinc/33/68/88/570336888.db2.gz RXCFRHAWFYNMLL-UHFFFAOYSA-N 0 0 383.879 4.872 50 0 GJAARN Cc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)c1ccc(F)cc1F ZINC000034795479 570337307 /nfs/dbraw/zinc/33/73/07/570337307.db2.gz KEVAVQYMPPTPCT-UHFFFAOYSA-N 0 0 381.304 4.934 50 0 GJAARN CS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)ccc1Cl ZINC000022972852 570339645 /nfs/dbraw/zinc/33/96/45/570339645.db2.gz MACBCFFWOSKTBI-UHFFFAOYSA-N 0 0 397.883 4.567 50 0 GJAARN O=C(CSc1ccccc1)Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000034909276 570340535 /nfs/dbraw/zinc/34/05/35/570340535.db2.gz HNFMEKQXZVBNAL-UHFFFAOYSA-N 0 0 378.284 4.910 50 0 GJAARN CCCSc1nnc2c(n1)O[C@@H](/C=C\c1cccs1)Nc1ccccc1-2 ZINC000034859887 570342005 /nfs/dbraw/zinc/34/20/05/570342005.db2.gz ADFWUSWYOMGNBV-YDZSZYSISA-N 0 0 382.514 4.946 50 0 GJAARN O=C(Nc1ccccc1)N[C@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948864 570343536 /nfs/dbraw/zinc/34/35/36/570343536.db2.gz MEMPLPJFBILTGP-HXUWFJFHSA-N 0 0 392.430 4.530 50 0 GJAARN CCCc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000006221566 570343858 /nfs/dbraw/zinc/34/38/58/570343858.db2.gz IEOLDFOYGFOAGO-UHFFFAOYSA-N 0 0 379.485 4.973 50 0 GJAARN CCCOc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000006235213 570345456 /nfs/dbraw/zinc/34/54/56/570345456.db2.gz TYNSNCXDRHHMPW-UHFFFAOYSA-N 0 0 396.468 4.622 50 0 GJAARN Cn1c2ccccc2c2c1CCN(C(=O)Nc1cccc(Br)c1)C2 ZINC000034928392 570345905 /nfs/dbraw/zinc/34/59/05/570345905.db2.gz VYSZHXDPWAGBGC-UHFFFAOYSA-N 0 0 384.277 4.531 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)N[C@H](c3cccs3)c3ccccc3)c2C)no1 ZINC000023184478 570347890 /nfs/dbraw/zinc/34/78/90/570347890.db2.gz NJGALSVEZFGREO-NRFANRHFSA-N 0 0 391.496 4.971 50 0 GJAARN Cc1cc(-n2c(C)cc(C(=O)N[C@@H](c3cccs3)c3ccccc3)c2C)no1 ZINC000023184480 570347976 /nfs/dbraw/zinc/34/79/76/570347976.db2.gz NJGALSVEZFGREO-OAQYLSRUSA-N 0 0 391.496 4.971 50 0 GJAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2F)cc1 ZINC000023186242 570348348 /nfs/dbraw/zinc/34/83/48/570348348.db2.gz 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570358590 /nfs/dbraw/zinc/35/85/90/570358590.db2.gz NDOUCZODARKCJE-UHFFFAOYSA-N 0 0 392.846 4.801 50 0 GJAARN Cc1ccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 ZINC000008134731 570359273 /nfs/dbraw/zinc/35/92/73/570359273.db2.gz ZXKXLPSIFGSZFJ-FQEVSTJZSA-N 0 0 377.513 4.601 50 0 GJAARN CCc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)s1 ZINC000008157149 570359775 /nfs/dbraw/zinc/35/97/75/570359775.db2.gz UMGWNXRDIZXGOC-UHFFFAOYSA-N 0 0 390.468 4.983 50 0 GJAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)N1CCCCC1 ZINC000004905054 570360957 /nfs/dbraw/zinc/36/09/57/570360957.db2.gz WAOBIURVVBFCFB-UHFFFAOYSA-N 0 0 391.515 4.625 50 0 GJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC)no2)cc1OCC ZINC000035453478 570362695 /nfs/dbraw/zinc/36/26/95/570362695.db2.gz QMGSUUFXDAXKJK-UHFFFAOYSA-N 0 0 378.432 4.571 50 0 GJAARN O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000004910752 570363089 /nfs/dbraw/zinc/36/30/89/570363089.db2.gz KEMLBAYBVPTAIX-INIZCTEOSA-N 0 0 386.814 4.898 50 0 GJAARN 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COc1ccc(Br)cc1/C=C\c1nc2ccc(Cl)cc2c(=O)o1 ZINC000004953432 570419936 /nfs/dbraw/zinc/41/99/36/570419936.db2.gz ZFEDFEYKUPNMEH-UQCOIBPSSA-N 0 0 392.636 4.783 50 0 GJAARN COc1cc(CO)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000004978085 570421330 /nfs/dbraw/zinc/42/13/30/570421330.db2.gz QSPKIRLBNWSZKF-UHFFFAOYSA-N 0 0 392.076 4.836 50 0 GJAARN C[C@H](C[C@H](O)c1cccs1)NC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000122326570 570421069 /nfs/dbraw/zinc/42/10/69/570421069.db2.gz UDIOIHXCIPIDDH-BEFAXECRSA-N 0 0 394.496 4.613 50 0 GJAARN COc1ccccc1N[C@H](C)C(=O)NN=C/C(C)=C\c1ccc(C(C)C)cc1 ZINC000005130943 570422934 /nfs/dbraw/zinc/42/29/34/570422934.db2.gz RGKVWTHIZAAOFT-UAPSCVLSSA-N 0 0 379.504 4.825 50 0 GJAARN O=C(NCCn1c2ccccc2nc1-c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000032950740 570423928 /nfs/dbraw/zinc/42/39/28/570423928.db2.gz ODQOUSYEVZMZQK-UHFFFAOYSA-N 0 0 392.409 4.803 50 0 GJAARN C[C@@H]1CCC[C@@H](C)N1c1nnc(NC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000005135358 570424129 /nfs/dbraw/zinc/42/41/29/570424129.db2.gz 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/nfs/dbraw/zinc/77/32/83/570773283.db2.gz MFQXKDUEFHFUNW-UHFFFAOYSA-N 0 0 375.451 4.831 50 0 GJAARN CC(=O)N1N=C(c2cccnc2)O[C@H]1c1cc(-c2ccccc2)nc2ccccc21 ZINC000021941422 570773473 /nfs/dbraw/zinc/77/34/73/570773473.db2.gz XMBZYMMFJJYPGF-DEOSSOPVSA-N 0 0 394.434 4.536 50 0 GJAARN Cc1ccc2cc(CN(C(=O)c3cccnc3)c3cc(C)ccc3C)c(=O)[nH]c2c1 ZINC000013685948 570774336 /nfs/dbraw/zinc/77/43/36/570774336.db2.gz MCPXQEBHIUTAMG-UHFFFAOYSA-N 0 0 397.478 4.695 50 0 GJAARN Clc1ccc(OCc2nn3c(nnc3-c3cc4ccccc4[nH]3)s2)cc1 ZINC000013689468 570775170 /nfs/dbraw/zinc/77/51/70/570775170.db2.gz BRGMRXBTKDMQOD-UHFFFAOYSA-N 0 0 381.848 4.567 50 0 GJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCC2)C1)c1ccccc1Cl ZINC000013689303 570775253 /nfs/dbraw/zinc/77/52/53/570775253.db2.gz NFAIOQBFRHFGMF-UHFFFAOYSA-N 0 0 394.906 4.700 50 0 GJAARN COc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3C)n2)cc1OC ZINC000067341590 570779352 /nfs/dbraw/zinc/77/93/52/570779352.db2.gz OOLLUMKERHWJDX-UHFFFAOYSA-N 0 0 396.447 4.523 50 0 GJAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O ZINC000007087444 570784006 /nfs/dbraw/zinc/78/40/06/570784006.db2.gz XZTNALNZTSOERV-SFHVURJKSA-N 0 0 395.311 4.553 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccc(F)c1 ZINC000013758762 570785807 /nfs/dbraw/zinc/78/58/07/570785807.db2.gz BCKNYLRTWVRYAH-KIFXHHALSA-N 0 0 397.490 4.733 50 0 GJAARN COc1ccccc1Oc1ncccc1CNC(=O)c1c(F)cccc1Cl ZINC000067676042 570785984 /nfs/dbraw/zinc/78/59/84/570785984.db2.gz BBVFFBAZVJEBQD-UHFFFAOYSA-N 0 0 386.810 4.605 50 0 GJAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000032741185 570786651 /nfs/dbraw/zinc/78/66/51/570786651.db2.gz IYIROXFVCWODOM-UHFFFAOYSA-N 0 0 398.459 4.649 50 0 GJAARN Cc1nnc(SCc2nc(-c3cccc(Cl)c3)no2)n1Cc1ccccc1 ZINC000007112679 570792335 /nfs/dbraw/zinc/79/23/35/570792335.db2.gz XODBDQGVSAAWGQ-UHFFFAOYSA-N 0 0 397.891 4.631 50 0 GJAARN COc1ccc(OC)c(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)c1 ZINC000036704627 570792696 /nfs/dbraw/zinc/79/26/96/570792696.db2.gz XJHSCSKPDUZBIA-UHFFFAOYSA-N 0 0 389.864 4.810 50 0 GJAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067894403 570796314 /nfs/dbraw/zinc/79/63/14/570796314.db2.gz RARJGJRIBMIFAY-SFHVURJKSA-N 0 0 382.467 4.645 50 0 GJAARN CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000005672289 570796648 /nfs/dbraw/zinc/79/66/48/570796648.db2.gz YCUWAWFNJCXWSM-UNOMPAQXSA-N 0 0 383.469 4.639 50 0 GJAARN CCc1cc2c(CSc3nnc(-c4ccc(C)cc4)o3)cc(=O)oc2cc1O ZINC000005864366 570798429 /nfs/dbraw/zinc/79/84/29/570798429.db2.gz FNWSDRKJBQRWHP-UHFFFAOYSA-N 0 0 394.452 4.712 50 0 GJAARN CCOc1nc(-c2ccccc2)c(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000005875012 570800178 /nfs/dbraw/zinc/80/01/78/570800178.db2.gz GQVYNAFCFGUUPD-UHFFFAOYSA-N 0 0 379.890 4.695 50 0 GJAARN Cc1cccc(-n2ncc3c2ncn(Cc2ccc(Cl)cc2Cl)c3=O)c1C ZINC000004479238 570801624 /nfs/dbraw/zinc/80/16/24/570801624.db2.gz FHPQURHCYCKZEY-UHFFFAOYSA-N 0 0 399.281 4.554 50 0 GJAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078943 570805268 /nfs/dbraw/zinc/80/52/68/570805268.db2.gz JCDIJZVKOBLYEZ-UHFFFAOYSA-N 0 0 380.517 4.777 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000005934705 570805473 /nfs/dbraw/zinc/80/54/73/570805473.db2.gz ZMPBPHFAVDMVHB-INIZCTEOSA-N 0 0 389.455 4.876 50 0 GJAARN COc1ccc(CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 ZINC000036722712 570805578 /nfs/dbraw/zinc/80/55/78/570805578.db2.gz HLAWUFWVAMNENJ-CYBMUJFWSA-N 0 0 375.419 4.642 50 0 GJAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)o1 ZINC000007167442 570809229 /nfs/dbraw/zinc/80/92/29/570809229.db2.gz UPVUIFIMCUFNDP-VIFPVBQESA-N 0 0 381.816 4.550 50 0 GJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)[C@H]1c1cccc(Cl)c1 ZINC000034927658 570810184 /nfs/dbraw/zinc/81/01/84/570810184.db2.gz GXMPIPJYNYQVAX-LEWJYISDSA-N 0 0 396.918 4.699 50 0 GJAARN CC(=O)Nc1ccc(-n2c(/C=C\c3ccccc3F)nc3ccccc3c2=O)cc1 ZINC000004659603 570810195 /nfs/dbraw/zinc/81/01/95/570810195.db2.gz JHDMTBWEKARLRY-GDNBJRDFSA-N 0 0 399.425 4.654 50 0 GJAARN CCOc1ccc(-n2c(/C=C/c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 ZINC000004659553 570810224 /nfs/dbraw/zinc/81/02/24/570810224.db2.gz DYWKTMYSCRJIDV-LICLKQGHSA-N 0 0 398.462 4.963 50 0 GJAARN Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1C ZINC000007179600 570810542 /nfs/dbraw/zinc/81/05/42/570810542.db2.gz RTNOMVDTQPQQJK-AWEZNQCLSA-N 0 0 387.455 4.887 50 0 GJAARN CCCOc1ccc(OCCSCCC(=O)Nc2ccccc2OC)cc1 ZINC000032778744 570811686 /nfs/dbraw/zinc/81/16/86/570811686.db2.gz GELXLZOOZQEAIV-UHFFFAOYSA-N 0 0 389.517 4.625 50 0 GJAARN Cc1nc2ccccc2nc1CSCCC(=O)Nc1ccc(Cl)cc1F ZINC000032778717 570811688 /nfs/dbraw/zinc/81/16/88/570811688.db2.gz YTJIDEXAUWCLRW-UHFFFAOYSA-N 0 0 389.883 4.993 50 0 GJAARN Cc1cccc(C)c1NC(=O)CCCSCCC(=O)N1CCc2ccccc21 ZINC000032778699 570811721 /nfs/dbraw/zinc/81/17/21/570811721.db2.gz HTXZMANKWFKRHR-UHFFFAOYSA-N 0 0 396.556 4.735 50 0 GJAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c(C)c1 ZINC000005985579 570811774 /nfs/dbraw/zinc/81/17/74/570811774.db2.gz IZZCHKNBUKZHGE-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN CCc1ccc(C(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)cc1 ZINC000006006598 570813153 /nfs/dbraw/zinc/81/31/53/570813153.db2.gz LWHHXJPGYPAZAS-UHFFFAOYSA-N 0 0 387.892 4.575 50 0 GJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccccc1C ZINC000006035261 570815716 /nfs/dbraw/zinc/81/57/16/570815716.db2.gz FJIRGWRHPLCENA-UHFFFAOYSA-N 0 0 388.492 4.995 50 0 GJAARN COc1ccccc1-n1c(S[C@H]2CCCCC2=O)nnc1-c1cccs1 ZINC000006035890 570815968 /nfs/dbraw/zinc/81/59/68/570815968.db2.gz AGBNZYNKFACOCA-INIZCTEOSA-N 0 0 385.514 4.608 50 0 GJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000032795900 570816074 /nfs/dbraw/zinc/81/60/74/570816074.db2.gz UHZUTYGWQPXZBX-NRFANRHFSA-N 0 0 382.463 4.665 50 0 GJAARN COc1ccc(-c2nnc(SCCOc3ccccc3Cl)o2)cc1OC ZINC000006035641 570816190 /nfs/dbraw/zinc/81/61/90/570816190.db2.gz YTTGECNUBMIBSM-UHFFFAOYSA-N 0 0 392.864 4.578 50 0 GJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000007217805 570816794 /nfs/dbraw/zinc/81/67/94/570816794.db2.gz SXIGXEFTHXLWCI-OAHLLOKOSA-N 0 0 382.529 4.840 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007221835 570818060 /nfs/dbraw/zinc/81/80/60/570818060.db2.gz HVZXIZHEQSKSIZ-LJQANCHMSA-N 0 0 379.510 4.622 50 0 GJAARN CCCn1nnnc1CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000007241921 570818446 /nfs/dbraw/zinc/81/84/46/570818446.db2.gz QZWRKAPOKLZMQD-UHFFFAOYSA-N 0 0 388.547 4.556 50 0 GJAARN c1ccc(Cc2noc(CSc3ncnc4sc5c(c43)CCCC5)n2)cc1 ZINC000036844267 570818501 /nfs/dbraw/zinc/81/85/01/570818501.db2.gz WHLIXNBZOURTOP-UHFFFAOYSA-N 0 0 394.525 4.836 50 0 GJAARN CCOC(=O)c1c(NC(=O)c2cccc(OC(C)C)c2)sc2c1CCCC2 ZINC000004670507 570818498 /nfs/dbraw/zinc/81/84/98/570818498.db2.gz QLNYTSINOPTSDV-UHFFFAOYSA-N 0 0 387.501 4.843 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)N[C@@H](C)c3ccco3)cc12 ZINC000007244121 570818882 /nfs/dbraw/zinc/81/88/82/570818882.db2.gz OYZBOMXBELXFDZ-HNNXBMFYSA-N 0 0 379.485 4.847 50 0 GJAARN CCc1c(C(=O)Nc2ccc(F)c(F)c2F)cnn1-c1cccc(Cl)c1 ZINC000032796741 570818979 /nfs/dbraw/zinc/81/89/79/570818979.db2.gz ZJGKMUBKXWOBAS-UHFFFAOYSA-N 0 0 379.769 4.758 50 0 GJAARN O=C(NCCc1ccccc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130449 570821309 /nfs/dbraw/zinc/82/13/09/570821309.db2.gz PBGBZSPQFYEQOO-UHFFFAOYSA-N 0 0 395.462 4.908 50 0 biogenic GJAARN CC(C)OC(=O)c1ncoc1-c1ccccc1C(=O)NCCC1=CCCCC1 ZINC000033131151 570821997 /nfs/dbraw/zinc/82/19/97/570821997.db2.gz WTSWQISWZWPNEP-UHFFFAOYSA-N 0 0 382.460 4.527 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000033141898 570827671 /nfs/dbraw/zinc/82/76/71/570827671.db2.gz MDKJESKOAIQTIA-UHFFFAOYSA-N 0 0 395.871 4.661 50 0 GJAARN Cc1ccc(NC(=O)CC(C)(C)CC(=O)N2CCc3ccccc3C2)cc1Cl ZINC000004682641 570829667 /nfs/dbraw/zinc/82/96/67/570829667.db2.gz QZOBHBVPZQSMGI-UHFFFAOYSA-N 0 0 398.934 4.978 50 0 GJAARN Cc1noc2ncc(C(=O)N([C@@H](C)c3cccc(C(F)(F)F)c3)C3CC3)cc12 ZINC000065565263 570831300 /nfs/dbraw/zinc/83/13/00/570831300.db2.gz SZKPNFXZEYKQGL-LBPRGKRZSA-N 0 0 389.377 4.916 50 0 GJAARN Cc1ccc(-c2nc(C(=O)NCc3ccc(-c4csc(C)n4)o3)cs2)o1 ZINC000033162351 570831503 /nfs/dbraw/zinc/83/15/03/570831503.db2.gz SIOVDSFCIPYPHT-UHFFFAOYSA-N 0 0 385.470 4.666 50 0 GJAARN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3Cc3ccccc3)CC2=O)cc1 ZINC000007344650 570832363 /nfs/dbraw/zinc/83/23/63/570832363.db2.gz JCNHZWKXCFEUPN-QHCPKHFHSA-N 0 0 398.506 4.573 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000007360296 570833218 /nfs/dbraw/zinc/83/32/18/570833218.db2.gz IBNAOOBBLVCPNB-UHFFFAOYSA-N 0 0 395.528 4.582 50 0 GJAARN COc1nc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc2ccccc21 ZINC000065551898 570833779 /nfs/dbraw/zinc/83/37/79/570833779.db2.gz IYXCWDZOUFSLIB-UHFFFAOYSA-N 0 0 375.428 4.934 50 0 GJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3cccs3)c2n1 ZINC000007370867 570834648 /nfs/dbraw/zinc/83/46/48/570834648.db2.gz VATPSKPWWRUHBJ-UHFFFAOYSA-N 0 0 395.311 4.649 50 0 GJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000012536158 570836161 /nfs/dbraw/zinc/83/61/61/570836161.db2.gz LXMUGQLIRYPFKS-UHFFFAOYSA-N 0 0 398.484 4.630 50 0 GJAARN CCn1c2ccccc2nc(-c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)c1=O ZINC000033171720 570836205 /nfs/dbraw/zinc/83/62/05/570836205.db2.gz YLMLDDQXXBYOSH-UHFFFAOYSA-N 0 0 397.478 4.953 50 0 GJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(Cl)c3)c2c1 ZINC000033172489 570836998 /nfs/dbraw/zinc/83/69/98/570836998.db2.gz FUYKZXPRXAQXAB-UHFFFAOYSA-N 0 0 382.876 4.804 50 0 GJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccccc1 ZINC000033173681 570837505 /nfs/dbraw/zinc/83/75/05/570837505.db2.gz FQOTXRXKHJGQNQ-UHFFFAOYSA-N 0 0 396.390 4.724 50 0 GJAARN O=C(CSc1nnc(SCc2cccs2)s1)Nc1cccc(F)c1 ZINC000032823801 570838001 /nfs/dbraw/zinc/83/80/01/570838001.db2.gz TVSUKSAUEHLGPL-UHFFFAOYSA-N 0 0 397.547 4.762 50 0 GJAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)c1cccc(C(F)(F)F)c1 ZINC000007407841 570838066 /nfs/dbraw/zinc/83/80/66/570838066.db2.gz AXWFXRWJXDVYOE-UHFFFAOYSA-N 0 0 386.373 4.569 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)N3CCc4ccccc43)c(C)s2)sc1C ZINC000033169473 570838378 /nfs/dbraw/zinc/83/83/78/570838378.db2.gz MTYDNUKQTYSTCA-UHFFFAOYSA-N 0 0 390.555 4.548 50 0 GJAARN Cc1ccccc1OCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000012539725 570838686 /nfs/dbraw/zinc/83/86/86/570838686.db2.gz FGCHRVSUMLXSQY-KRWDZBQOSA-N 0 0 389.455 4.508 50 0 GJAARN CCCCc1ccc(NC(=O)CN2c3ccccc3N=C3CCC[C@H]3C2=O)cc1 ZINC000101945811 570838835 /nfs/dbraw/zinc/83/88/35/570838835.db2.gz NGTLYZKMLNYZTC-LJQANCHMSA-N 0 0 389.499 4.887 50 0 GJAARN COc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1Br ZINC000032825906 570839814 /nfs/dbraw/zinc/83/98/14/570839814.db2.gz WUHQEQHCLYIBBT-UHFFFAOYSA-N 0 0 381.320 4.937 50 0 GJAARN Cc1cccc2c1C(=O)N[C@H](c1csc(COc3ccc(Cl)cc3)n1)N2 ZINC000060523422 570840507 /nfs/dbraw/zinc/84/05/07/570840507.db2.gz RQUVIDXRFPYJIL-GOSISDBHSA-N 0 0 385.876 4.538 50 0 GJAARN Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000012540736 570841550 /nfs/dbraw/zinc/84/15/50/570841550.db2.gz GIMJNPTZUNTSFJ-UHFFFAOYSA-N 0 0 378.394 4.632 50 0 GJAARN C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 ZINC000012540613 570841584 /nfs/dbraw/zinc/84/15/84/570841584.db2.gz HIXLSIOBMOBCPU-KRWDZBQOSA-N 0 0 387.508 4.995 50 0 GJAARN Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)sc2c1 ZINC000007424662 570841743 /nfs/dbraw/zinc/84/17/43/570841743.db2.gz ONKFISLOYGPFEC-UHFFFAOYSA-N 0 0 394.475 4.677 50 0 GJAARN COc1ccc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000012541402 570842064 /nfs/dbraw/zinc/84/20/64/570842064.db2.gz VNCYXCTYXDUEFR-UHFFFAOYSA-N 0 0 377.469 4.643 50 0 GJAARN Cc1ccsc1-c1nc(CN(C)Cc2cc(-c3cccnc3)no2)c(C)o1 ZINC000071712172 570843253 /nfs/dbraw/zinc/84/32/53/570843253.db2.gz HHRHSLBHDBTGBJ-UHFFFAOYSA-N 0 0 380.473 4.702 50 0 GJAARN O=C(Nc1ccc(Cl)cc1C(=O)NCc1ccc(Cl)cc1)c1ccco1 ZINC000004699582 570843708 /nfs/dbraw/zinc/84/37/08/570843708.db2.gz QTJYFVVGOBDHIA-UHFFFAOYSA-N 0 0 389.238 4.769 50 0 GJAARN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 ZINC000007456068 570844958 /nfs/dbraw/zinc/84/49/58/570844958.db2.gz HEWDYDFBHNKSHM-CYBMUJFWSA-N 0 0 386.908 4.861 50 0 GJAARN COc1cc([C@@H](C)NC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(C)C ZINC000032831196 570845012 /nfs/dbraw/zinc/84/50/12/570845012.db2.gz RAOUGTPZXFEQGD-OAHLLOKOSA-N 0 0 384.476 4.815 50 0 GJAARN CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C(F)F)cc1 ZINC000012544526 570845428 /nfs/dbraw/zinc/84/54/28/570845428.db2.gz LJIAREPHQDSVFA-NSHDSACASA-N 0 0 389.427 4.753 50 0 GJAARN CCCn1c2ccccc2nc1NC(=O)c1sc2nc(C)nc(C)c2c1C ZINC000012544650 570845466 /nfs/dbraw/zinc/84/54/66/570845466.db2.gz FQJHKVLFSOQHGI-UHFFFAOYSA-N 0 0 379.489 4.629 50 0 GJAARN O=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccco1)c1ccccc1 ZINC000032837024 570846365 /nfs/dbraw/zinc/84/63/65/570846365.db2.gz RNFHLDVTNXTRSO-UHFFFAOYSA-N 0 0 379.441 4.557 50 0 GJAARN CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 ZINC000032837464 570846726 /nfs/dbraw/zinc/84/67/26/570846726.db2.gz XXRBUULHDBXVRJ-CYBMUJFWSA-N 0 0 390.530 4.704 50 0 GJAARN COc1ccc(-c2nnc([C@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000012547439 570850371 /nfs/dbraw/zinc/85/03/71/570850371.db2.gz HRPVVXRCGXYMQC-INIZCTEOSA-N 0 0 378.476 4.909 50 0 GJAARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000032842050 570850586 /nfs/dbraw/zinc/85/05/86/570850586.db2.gz LIHYMYFIKGYBMJ-MRXNPFEDSA-N 0 0 391.496 4.808 50 0 GJAARN CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071774595 570852654 /nfs/dbraw/zinc/85/26/54/570852654.db2.gz ULXWEQFGOSUSAN-LJQANCHMSA-N 0 0 385.527 4.726 50 0 GJAARN Cc1cc(NC(=O)COC(=O)c2cccc3ccccc32)ccc1Br ZINC000003301359 570853573 /nfs/dbraw/zinc/85/35/73/570853573.db2.gz KLNZAAXURHLIDI-UHFFFAOYSA-N 0 0 398.256 4.706 50 0 GJAARN O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1 ZINC000003301704 570853785 /nfs/dbraw/zinc/85/37/85/570853785.db2.gz MEPMMKQCQSIQNR-UHFFFAOYSA-N 0 0 391.254 4.589 50 0 GJAARN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000007492006 570854348 /nfs/dbraw/zinc/85/43/48/570854348.db2.gz PXAIIVVYRVRSHZ-UHFFFAOYSA-N 0 0 383.498 4.559 50 0 GJAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1F)O[C@H](C)C2 ZINC000032854024 570854868 /nfs/dbraw/zinc/85/48/68/570854868.db2.gz GLJIJKKUWKARNG-VXGBXAGGSA-N 0 0 392.858 4.640 50 0 GJAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1F ZINC000003319170 570855913 /nfs/dbraw/zinc/85/59/13/570855913.db2.gz ITPULLKABSYQEP-UHFFFAOYSA-N 0 0 381.787 4.628 50 0 GJAARN CCC1=Nc2cc(C(=O)N(C)CC(OC)OC)ccc2Sc2ccc(C)cc21 ZINC000004712598 570858402 /nfs/dbraw/zinc/85/84/02/570858402.db2.gz DTZYLHLYTAGFCK-UHFFFAOYSA-N 0 0 398.528 4.681 50 0 GJAARN Cc1cccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cc(F)cc(F)c3)C2)c1 ZINC000102711850 570859895 /nfs/dbraw/zinc/85/98/95/570859895.db2.gz ZVBHQDYEAMGLJX-SZNDQCEHSA-N 0 0 392.409 4.930 50 0 GJAARN Cc1cccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(F)cc(F)c3)C2)c1 ZINC000102711857 570859984 /nfs/dbraw/zinc/85/99/84/570859984.db2.gz ZVBHQDYEAMGLJX-SPLOXXLWSA-N 0 0 392.409 4.930 50 0 GJAARN Clc1cccc(-c2nc3c(c(NCc4nnc(C5CC5)o4)n2)CCCC3)c1 ZINC000170601960 570860297 /nfs/dbraw/zinc/86/02/97/570860297.db2.gz GTTNBKODGPBNPH-UHFFFAOYSA-N 0 0 381.867 4.548 50 0 GJAARN CCOc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000007510274 570861080 /nfs/dbraw/zinc/86/10/80/570861080.db2.gz GPTLCGUZMDQLIV-UHFFFAOYSA-N 0 0 378.215 4.694 50 0 GJAARN CCc1nc(-c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)no1 ZINC000033254231 570862177 /nfs/dbraw/zinc/86/21/77/570862177.db2.gz FEOYHXSQFBCCSF-UHFFFAOYSA-N 0 0 386.249 4.622 50 0 GJAARN Cc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1C ZINC000033255266 570862861 /nfs/dbraw/zinc/86/28/61/570862861.db2.gz PPGMZVBWKPSJTG-UHFFFAOYSA-N 0 0 394.450 4.904 50 0 GJAARN CC(=O)Nc1cccc(-c2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)c1 ZINC000033255414 570863035 /nfs/dbraw/zinc/86/30/35/570863035.db2.gz NYHWNUMTSQBXRJ-UHFFFAOYSA-N 0 0 376.460 4.598 50 0 GJAARN Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccccc2C)cc1 ZINC000044086778 570863394 /nfs/dbraw/zinc/86/33/94/570863394.db2.gz HIXGPZKOYDYQMQ-UHFFFAOYSA-N 0 0 391.540 4.871 50 0 GJAARN Cc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3Br)cc2)no1 ZINC000033257377 570863994 /nfs/dbraw/zinc/86/39/94/570863994.db2.gz OIJHHVNSTNYHDZ-UHFFFAOYSA-N 0 0 387.237 4.760 50 0 GJAARN O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1cc(F)c(F)c(F)c1F ZINC000170609291 570865664 /nfs/dbraw/zinc/86/56/64/570865664.db2.gz FCAUQZBRIACISJ-UHFFFAOYSA-N 0 0 393.123 4.555 50 0 GJAARN CCc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc32)cc1 ZINC000044169664 570867989 /nfs/dbraw/zinc/86/79/89/570867989.db2.gz ZJKRLOJKLABGRQ-UHFFFAOYSA-N 0 0 377.513 4.730 50 0 GJAARN O=C(CCSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1F ZINC000032871008 570869679 /nfs/dbraw/zinc/86/96/79/570869679.db2.gz UTSZQFUZONQQQK-UHFFFAOYSA-N 0 0 392.456 4.681 50 0 GJAARN COc1cccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)c(Cl)nc21 ZINC000170612427 570870168 /nfs/dbraw/zinc/87/01/68/570870168.db2.gz DFZKZKMSJFMVGF-GOSISDBHSA-N 0 0 397.837 4.734 50 0 GJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(I)c1 ZINC000005714102 570870378 /nfs/dbraw/zinc/87/03/78/570870378.db2.gz GGRFCFZBRLCSFE-UHFFFAOYSA-N 0 0 391.130 4.562 50 0 GJAARN CCCCC[C@@H](C)NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 ZINC000007535423 570871362 /nfs/dbraw/zinc/87/13/62/570871362.db2.gz WZMNOOMNDLYLBF-GFCCVEGCSA-N 0 0 382.530 4.598 50 0 GJAARN Cc1cc(C)c(C)c(C(=O)COC(=O)c2ccc(Br)cc2)c1C ZINC000003508828 570873797 /nfs/dbraw/zinc/87/37/97/570873797.db2.gz GQJSATUXXWZZLG-UHFFFAOYSA-N 0 0 375.262 4.722 50 0 GJAARN CC(=O)c1c[nH]c(C(=O)O[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000170617295 570875923 /nfs/dbraw/zinc/87/59/23/570875923.db2.gz CVDJOKXOAQNYIT-ZDUSSCGKSA-N 0 0 379.256 4.697 50 0 GJAARN Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(Br)c3)C2)o1 ZINC000170620062 570876433 /nfs/dbraw/zinc/87/64/33/570876433.db2.gz APXHCAYXLJOPKZ-INIZCTEOSA-N 0 0 399.244 4.935 50 0 GJAARN COc1ccc(Cc2noc(-c3c(C)onc3-c3ccccc3Cl)n2)cc1 ZINC000003583811 570877398 /nfs/dbraw/zinc/87/73/98/570877398.db2.gz ISWGHIUWKCLANN-UHFFFAOYSA-N 0 0 381.819 4.953 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000103142725 570877724 /nfs/dbraw/zinc/87/77/24/570877724.db2.gz AEYUOUOTMARILI-JKIFEVAISA-N 0 0 384.442 4.755 50 0 GJAARN O=C([C@@H]1Cc2ccccc2S1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000032878867 570879879 /nfs/dbraw/zinc/87/98/79/570879879.db2.gz URRBRWCWKUUXII-KXBFYZLASA-N 0 0 396.537 4.525 50 0 GJAARN CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn21 ZINC000103340350 570881578 /nfs/dbraw/zinc/88/15/78/570881578.db2.gz XCCJPFKLRPRRQO-UHFFFAOYSA-N 0 0 398.677 4.937 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c(C)c1 ZINC000003665016 570882176 /nfs/dbraw/zinc/88/21/76/570882176.db2.gz BWPSWSYDZNAMBH-JOCHJYFZSA-N 0 0 388.467 4.642 50 0 biogenic GJAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c(C)c1 ZINC000003665017 570882191 /nfs/dbraw/zinc/88/21/91/570882191.db2.gz BWPSWSYDZNAMBH-QFIPXVFZSA-N 0 0 388.467 4.642 50 0 biogenic GJAARN CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC[C@H](CC)C2 ZINC000004558281 570882184 /nfs/dbraw/zinc/88/21/84/570882184.db2.gz KKRNCEFKOCIBFM-ZDUSSCGKSA-N 0 0 387.501 4.701 50 0 GJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccccc3Cl)c2)C1 ZINC000033264269 570883171 /nfs/dbraw/zinc/88/31/71/570883171.db2.gz OVUDOYYLJHUCKD-GOSISDBHSA-N 0 0 399.922 4.890 50 0 GJAARN CCOc1ccccc1CNC(=O)c1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000033264741 570883644 /nfs/dbraw/zinc/88/36/44/570883644.db2.gz KHNMPSYGSJAVFN-UHFFFAOYSA-N 0 0 399.494 4.677 50 0 GJAARN Cc1noc(C)c1[C@H](C)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000170626607 570883876 /nfs/dbraw/zinc/88/38/76/570883876.db2.gz DNNAXRUEYFWVMZ-VIFPVBQESA-N 0 0 395.406 4.925 50 0 GJAARN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cnc(-c2ccccc2F)s1 ZINC000170630994 570884169 /nfs/dbraw/zinc/88/41/69/570884169.db2.gz PTLFHXHFVYZXCW-SUMWQHHRSA-N 0 0 376.497 4.520 50 0 GJAARN C[C@@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000009884143 570886537 /nfs/dbraw/zinc/88/65/37/570886537.db2.gz BSBYDQNCADDDRY-QGZVFWFLSA-N 0 0 399.450 4.660 50 0 GJAARN CCn1c2ccccc2nc1SCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000012600709 570886723 /nfs/dbraw/zinc/88/67/23/570886723.db2.gz KACAGAZGDWINEV-UHFFFAOYSA-N 0 0 381.545 4.976 50 0 GJAARN Cc1c2ccccc2sc1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000032898948 570888547 /nfs/dbraw/zinc/88/85/47/570888547.db2.gz UJSNBMDNNYWZLC-UHFFFAOYSA-N 0 0 379.481 4.650 50 0 GJAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000010220111 570892284 /nfs/dbraw/zinc/89/22/84/570892284.db2.gz BFVVRDPOKHGKQH-UHFFFAOYSA-N 0 0 375.447 4.694 50 0 GJAARN CCN(C(=O)c1cccc(-n2ccnc2SC)c1)[C@@H]1CCCc2cccnc21 ZINC000097105103 570894262 /nfs/dbraw/zinc/89/42/62/570894262.db2.gz MIYVRKGWVGXEDY-LJQANCHMSA-N 0 0 392.528 4.529 50 0 GJAARN O=C(NCCC1=CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000004572938 570897626 /nfs/dbraw/zinc/89/76/26/570897626.db2.gz JXCVTHIOXDXKIK-SILNSSARSA-N 0 0 380.513 4.526 50 0 GJAARN CCCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000097139076 570897630 /nfs/dbraw/zinc/89/76/30/570897630.db2.gz AYFCEIZMTYFWBS-HNNXBMFYSA-N 0 0 397.910 4.825 50 0 GJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(F)cc1F ZINC000014796147 570900464 /nfs/dbraw/zinc/90/04/64/570900464.db2.gz WQUFZVUVWIREIQ-UHFFFAOYSA-N 0 0 375.806 4.732 50 0 GJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)CSc1nc2ccccc2s1 ZINC000032902671 570900718 /nfs/dbraw/zinc/90/07/18/570900718.db2.gz BMNINZBDQPXVTL-QGZVFWFLSA-N 0 0 385.558 4.871 50 0 GJAARN Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCc3sccc3C2)n1 ZINC000032902875 570901105 /nfs/dbraw/zinc/90/11/05/570901105.db2.gz SACLKQXORMHLPX-UHFFFAOYSA-N 0 0 395.553 4.646 50 0 GJAARN CC(=O)c1ccc(O[C@H](C)C(=O)Oc2ccc(Br)cc2Cl)cc1 ZINC000015656768 570901145 /nfs/dbraw/zinc/90/11/45/570901145.db2.gz LZSIZMUQIUNFOJ-LLVKDONJSA-N 0 0 397.652 4.678 50 0 GJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc2c(cccc2C)s1 ZINC000032905831 570906300 /nfs/dbraw/zinc/90/63/00/570906300.db2.gz QESVOPYQCCQDMP-UHFFFAOYSA-N 0 0 396.497 4.937 50 0 GJAARN C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O ZINC000004027829 570907547 /nfs/dbraw/zinc/90/75/47/570907547.db2.gz GWXDJKCRYNAAKC-RIQJQHKOSA-N 0 0 396.502 4.593 50 0 biogenic GJAARN CCc1c(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cnn1-c1ccccn1 ZINC000097212522 570908351 /nfs/dbraw/zinc/90/83/51/570908351.db2.gz HTAZDGMDFIKMTE-UHFFFAOYSA-N 0 0 395.513 4.575 50 0 GJAARN C[C@H](C(=O)N1CCCC[C@H]1c1cccnc1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000263585421 570908348 /nfs/dbraw/zinc/90/83/48/570908348.db2.gz IJGOCTCQILJHKZ-HARLFGEKSA-N 0 0 390.527 4.851 50 0 biogenic GJAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1ccccc1F ZINC000032910555 570911844 /nfs/dbraw/zinc/91/18/44/570911844.db2.gz JYYRHAKHOXXOPA-FQEVSTJZSA-N 0 0 385.479 4.621 50 0 GJAARN CC(=O)c1ccc(-c2cccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)nc1 ZINC000534651050 570913616 /nfs/dbraw/zinc/91/36/16/570913616.db2.gz CANYGIXMNGFDNA-HYBUGGRVSA-N 0 0 376.500 4.992 50 0 GJAARN CSc1ccc(-c2nnc(NC(=O)Cc3cccc4ccccc43)o2)cc1 ZINC000004585621 570914686 /nfs/dbraw/zinc/91/46/86/570914686.db2.gz ANAVIXNMLGVLJE-UHFFFAOYSA-N 0 0 375.453 4.793 50 0 GJAARN CC(C)(C)c1ccc(O)c(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 ZINC000024583904 570915465 /nfs/dbraw/zinc/91/54/65/570915465.db2.gz DJXIZOCEPQXRAX-UHFFFAOYSA-N 0 0 385.464 4.929 50 0 GJAARN CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000016890740 570916621 /nfs/dbraw/zinc/91/66/21/570916621.db2.gz XQQOFHNANMPROS-UHFFFAOYSA-N 0 0 386.860 4.928 50 0 GJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000004585436 570916768 /nfs/dbraw/zinc/91/67/68/570916768.db2.gz YZWHOAQJDNAXHR-UHFFFAOYSA-N 0 0 389.842 4.600 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)N1CCCC1 ZINC000004588355 570922851 /nfs/dbraw/zinc/92/28/51/570922851.db2.gz FMETUSSVMCACEX-CQSZACIVSA-N 0 0 381.476 4.539 50 0 GJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 ZINC000017013556 570924038 /nfs/dbraw/zinc/92/40/38/570924038.db2.gz FRLMYLIVVHCZAW-UHFFFAOYSA-N 0 0 381.867 4.500 50 0 GJAARN Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012042 570924150 /nfs/dbraw/zinc/92/41/50/570924150.db2.gz IVQUUAVFQFQQSR-UHFFFAOYSA-N 0 0 386.527 4.608 50 0 GJAARN O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Br)cc2F)S1 ZINC000004050221 570925478 /nfs/dbraw/zinc/92/54/78/570925478.db2.gz LZJWFTRBKBDIFT-AUWJEWJLSA-N 0 0 394.221 4.704 50 0 GJAARN CC[C@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1 ZINC000004062236 570927735 /nfs/dbraw/zinc/92/77/35/570927735.db2.gz WRQQONOQAKKASU-AWEZNQCLSA-N 0 0 396.541 4.583 50 0 GJAARN O=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000004072428 570929519 /nfs/dbraw/zinc/92/95/19/570929519.db2.gz LYBBDBCJBOWEGY-UHFFFAOYSA-N 0 0 380.256 4.529 50 0 GJAARN CSCC[C@H](NC(=O)Cc1cccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000006506197 570930605 /nfs/dbraw/zinc/93/06/05/570930605.db2.gz OBXHSEDDPNOUBY-NRFANRHFSA-N 0 0 389.524 4.869 50 0 GJAARN O=C(CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccs1 ZINC000003330708 570934745 /nfs/dbraw/zinc/93/47/45/570934745.db2.gz ORFJTTUTTPQOTO-UHFFFAOYSA-N 0 0 380.252 4.928 50 0 GJAARN Cc1nc2cc(NC(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)ccc2o1 ZINC000032924473 570935821 /nfs/dbraw/zinc/93/58/21/570935821.db2.gz KZUNCILBBZJMPD-UHFFFAOYSA-N 0 0 387.439 4.979 50 0 GJAARN O=C(NCCn1c2ncccc2nc1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000046913564 570936055 /nfs/dbraw/zinc/93/60/55/570936055.db2.gz PGPHOKQEANEWFA-UHFFFAOYSA-N 0 0 391.862 4.573 50 0 GJAARN C[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1cccnc1 ZINC000032928342 570940838 /nfs/dbraw/zinc/94/08/38/570940838.db2.gz IZFYQIDATNYXDA-CYBMUJFWSA-N 0 0 398.260 4.522 50 0 GJAARN Cc1nc2cccnc2n1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1C ZINC000032932011 570946484 /nfs/dbraw/zinc/94/64/84/570946484.db2.gz ZDPWUQHCTDOIKV-NRFANRHFSA-N 0 0 396.494 4.845 50 0 GJAARN CC(C)c1cc(C(=O)NCc2ccccc2Cn2ccnc2)c2ccccc2n1 ZINC000025666223 570948395 /nfs/dbraw/zinc/94/83/95/570948395.db2.gz IIECVRMCURNJCU-UHFFFAOYSA-N 0 0 384.483 4.533 50 0 GJAARN O=C(NCc1ccccc1F)N[C@H](COc1ccccc1F)c1ccccc1 ZINC000032937013 570948698 /nfs/dbraw/zinc/94/86/98/570948698.db2.gz XMVWUKAYXIZCEI-HXUWFJFHSA-N 0 0 382.410 4.584 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccccc2OC)C1C(=O)OCC ZINC000004735582 570949872 /nfs/dbraw/zinc/94/98/72/570949872.db2.gz QMGCHOHRMBHISJ-OAQYLSRUSA-N 0 0 391.471 4.677 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(C)cc2)C1C(=O)OCC ZINC000004735552 570949893 /nfs/dbraw/zinc/94/98/93/570949893.db2.gz JWMYMVGHCHBMOA-OAQYLSRUSA-N 0 0 375.472 4.977 50 0 GJAARN CC1(C)Oc2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2O1 ZINC000047254746 570951288 /nfs/dbraw/zinc/95/12/88/570951288.db2.gz KOECJNDFBXBODG-HNNXBMFYSA-N 0 0 385.485 4.717 50 0 GJAARN COc1ccc(-c2nc(C)nc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 ZINC000001278798 570952566 /nfs/dbraw/zinc/95/25/66/570952566.db2.gz DEZVJKUSCGECGV-UHFFFAOYSA-N 0 0 381.379 4.617 50 0 GJAARN CSc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1 ZINC000033278088 570952656 /nfs/dbraw/zinc/95/26/56/570952656.db2.gz JCYYAIFPFQTJOG-UHFFFAOYSA-N 0 0 380.498 4.937 50 0 GJAARN CCc1cccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)c1 ZINC000002117225 570952879 /nfs/dbraw/zinc/95/28/79/570952879.db2.gz UZBPSQJKESDHBH-UHFFFAOYSA-N 0 0 375.468 4.899 50 0 biogenic GJAARN COc1ccc(OC)c(/C=C2\CCC/C(=C/c3cc(OC)ccc3OC)C2=O)c1 ZINC000000984260 570953187 /nfs/dbraw/zinc/95/31/87/570953187.db2.gz JCWLEVUCPKGMBT-RFTYBOQRSA-N 0 0 394.467 4.941 50 0 GJAARN O=C(CSc1nccnc1Sc1ccccc1)Nc1cc(F)ccc1F ZINC000033288873 570955992 /nfs/dbraw/zinc/95/59/92/570955992.db2.gz DWGLHDUECQYYFQ-UHFFFAOYSA-N 0 0 389.452 4.637 50 0 GJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C)s2)n1 ZINC000033289978 570960855 /nfs/dbraw/zinc/96/08/55/570960855.db2.gz SWQYWKOUUJDVCP-UHFFFAOYSA-N 0 0 378.544 4.906 50 0 GJAARN Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[nH]2)cc1Cl ZINC000012169036 570961044 /nfs/dbraw/zinc/96/10/44/570961044.db2.gz CANKUMKEXWHADB-UHFFFAOYSA-N 0 0 386.810 4.719 50 0 GJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(Cl)c3)c2c1 ZINC000033298726 570962558 /nfs/dbraw/zinc/96/25/58/570962558.db2.gz KRLITZHMRFWJFV-UHFFFAOYSA-N 0 0 398.875 4.504 50 0 GJAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1 ZINC000012700444 570966472 /nfs/dbraw/zinc/96/64/72/570966472.db2.gz HLTOAUZHUUFJEX-ZDUSSCGKSA-N 0 0 398.919 4.917 50 0 GJAARN CCc1ccc([C@@H]2C[C@@H](C)CCN2c2cc(C)nc3nc(C(F)(F)F)nn32)o1 ZINC000083825427 570966857 /nfs/dbraw/zinc/96/68/57/570966857.db2.gz YYSFDVBAEGICJS-FZMZJTMJSA-N 0 0 393.413 4.585 50 0 GJAARN O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cnccn1 ZINC000208011502 570967151 /nfs/dbraw/zinc/96/71/51/570967151.db2.gz BMIUSETZPKWAIU-UHFFFAOYSA-N 0 0 376.416 4.659 50 0 GJAARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(Br)cc1 ZINC000004757812 570967729 /nfs/dbraw/zinc/96/77/29/570967729.db2.gz UDQFEMVZNROMPZ-QPEQYQDCSA-N 0 0 379.051 4.704 50 0 GJAARN O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000004166828 570970185 /nfs/dbraw/zinc/97/01/85/570970185.db2.gz ZTAUJEFOCXSJLI-UHFFFAOYSA-N 0 0 399.324 4.595 50 0 GJAARN CCOc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ns1 ZINC000004167353 570970485 /nfs/dbraw/zinc/97/04/85/570970485.db2.gz ZWGXYVDTIAGIQL-UHFFFAOYSA-N 0 0 385.514 4.643 50 0 GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cc(C)ccc1C ZINC000033312564 570971804 /nfs/dbraw/zinc/97/18/04/570971804.db2.gz JCGVCHUCJMWSMW-UHFFFAOYSA-N 0 0 380.517 4.859 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000033318335 570973482 /nfs/dbraw/zinc/97/34/82/570973482.db2.gz HZBBYVRRUQENBP-UHFFFAOYSA-N 0 0 387.487 4.690 50 0 GJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000033317647 570973729 /nfs/dbraw/zinc/97/37/29/570973729.db2.gz PFWHDTFPJMISQR-LJQANCHMSA-N 0 0 397.906 4.842 50 0 GJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)CCn1ccnc1 ZINC000019300456 570974145 /nfs/dbraw/zinc/97/41/45/570974145.db2.gz UXVJIYSHIUVJCX-UHFFFAOYSA-N 0 0 388.471 4.771 50 0 GJAARN CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(SC)cc3)NC(=O)CN21 ZINC000002159998 570974904 /nfs/dbraw/zinc/97/49/04/570974904.db2.gz LZNUWSICCOASJN-MDRMPYQZSA-N 0 0 378.541 4.608 50 0 biogenic GJAARN O=C(COc1ccccc1-c1noc(-c2cccc3ccccc32)n1)N1CCCC1 ZINC000033325111 570979494 /nfs/dbraw/zinc/97/94/94/570979494.db2.gz VZZCDCHKRARCKL-UHFFFAOYSA-N 0 0 399.450 4.558 50 0 GJAARN Cc1c(-c2nnc(SCCOc3ccccc3)s2)sc(=S)n1C ZINC000524735591 570981562 /nfs/dbraw/zinc/98/15/62/570981562.db2.gz MDSSOASQPFRFOZ-UHFFFAOYSA-N 0 0 381.573 4.814 50 0 GJAARN O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc(F)cc1Cl ZINC000585148315 570981786 /nfs/dbraw/zinc/98/17/86/570981786.db2.gz YEBGNSFVQFQBNT-CYBMUJFWSA-N 0 0 381.881 4.733 50 0 GJAARN O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 ZINC000585148952 570982718 /nfs/dbraw/zinc/98/27/18/570982718.db2.gz MWOUTCJDYHQCOF-FQEVSTJZSA-N 0 0 375.493 4.980 50 0 GJAARN C[C@H](Oc1ccc(Cl)cc1Cl)c1ccnn1S(=O)(=O)c1ccccc1 ZINC000001402525 570982791 /nfs/dbraw/zinc/98/27/91/570982791.db2.gz HEJFANYCHUZBEM-LBPRGKRZSA-N 0 0 397.283 4.567 50 0 GJAARN Cc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1 ZINC000001405014 570982807 /nfs/dbraw/zinc/98/28/07/570982807.db2.gz GKUIVBHZINAZJN-UHFFFAOYSA-N 0 0 378.432 4.679 50 0 GJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1C ZINC000004776870 570984939 /nfs/dbraw/zinc/98/49/39/570984939.db2.gz RKNLOWKQWUWLQF-UHFFFAOYSA-N 0 0 388.423 4.829 50 0 GJAARN CC(=O)N[C@H](CC(=O)N(c1ccc(C)cn1)C1CCCCC1)c1ccc(C)cc1 ZINC000108203087 570985620 /nfs/dbraw/zinc/98/56/20/570985620.db2.gz AXTNLXZNAIUZQD-JOCHJYFZSA-N 0 0 393.531 4.632 50 0 GJAARN O=c1c2ccsc2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000012742731 570986983 /nfs/dbraw/zinc/98/69/83/570986983.db2.gz LQMQEKMHUOJFJW-UHFFFAOYSA-N 0 0 393.415 4.649 50 0 GJAARN C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000045261117 570989500 /nfs/dbraw/zinc/98/95/00/570989500.db2.gz TXQDELCVFOGXQW-GFCCVEGCSA-N 0 0 395.833 4.542 50 0 GJAARN CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1Cl ZINC000012748024 570991981 /nfs/dbraw/zinc/99/19/81/570991981.db2.gz FNUOXTSBTSGUDF-UHFFFAOYSA-N 0 0 377.878 4.736 50 0 GJAARN Cc1nc2ccccc2nc1COC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000084057550 570992095 /nfs/dbraw/zinc/99/20/95/570992095.db2.gz GPTSFZFNRGZGRU-CABCVRRESA-N 0 0 386.373 4.804 50 0 GJAARN CCOC(=O)CN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)CC(C)C ZINC000004796343 570993997 /nfs/dbraw/zinc/99/39/97/570993997.db2.gz AFXDHVFIHRERGS-UHFFFAOYSA-N 0 0 396.453 4.576 50 0 GJAARN C[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)S(=O)(=O)c1ccc(F)cc1 ZINC000084069917 570995137 /nfs/dbraw/zinc/99/51/37/570995137.db2.gz PWOSODLDYNOCBW-ZDUSSCGKSA-N 0 0 397.427 4.526 50 0 GJAARN CCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21 ZINC000002194532 570995349 /nfs/dbraw/zinc/99/53/49/570995349.db2.gz XKRCETBXKONAMT-UHFFFAOYSA-N 0 0 388.471 4.730 50 0 GJAARN Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1C[C@@H]1CCCO1 ZINC000004808888 570997118 /nfs/dbraw/zinc/99/71/18/570997118.db2.gz RAKMUQMPQJZMHI-AWEZNQCLSA-N 0 0 382.287 4.852 50 0 GJAARN Cc1cc(C[C@@H](C)NC(=O)Cc2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000084105212 570998432 /nfs/dbraw/zinc/99/84/32/570998432.db2.gz AKXPRNZNEKIGKF-GOSISDBHSA-N 0 0 383.495 4.624 50 0 GJAARN CCCc1cc(=O)[nH]c(SCc2nc(-c3cccc(Cl)c3)oc2C)n1 ZINC000045924660 571001799 /nfs/dbraw/zinc/00/17/99/571001799.db2.gz MGARXYSWQXXKJH-UHFFFAOYSA-N 0 0 375.881 4.632 50 0 GJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000045928087 571002197 /nfs/dbraw/zinc/00/21/97/571002197.db2.gz VAGNVXGLSKCMKM-QFIPXVFZSA-N 0 0 389.426 4.887 50 0 GJAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000002203257 571002345 /nfs/dbraw/zinc/00/23/45/571002345.db2.gz ZDZUIENABYZUAG-LJQANCHMSA-N 0 0 396.468 4.725 50 0 GJAARN O=C(CSc1ncc(-c2ccc(Br)cc2)o1)N1CCCCCC1 ZINC000045943257 571004675 /nfs/dbraw/zinc/00/46/75/571004675.db2.gz OEJJYBVHKMSWDG-UHFFFAOYSA-N 0 0 395.322 4.599 50 0 GJAARN Cc1ccc(-c2c3cnc4ccc(C)cc4c3sc2C(=O)NC[C@H](C)O)cc1 ZINC000045943786 571005216 /nfs/dbraw/zinc/00/52/16/571005216.db2.gz PJHLFPQGIYIKGO-HNNXBMFYSA-N 0 0 390.508 4.844 50 0 GJAARN CC[C@@H](C(=O)NCC(C)C)n1c(Cc2ccccc2)nc2cc(C)c(C)cc21 ZINC000037398814 571006506 /nfs/dbraw/zinc/00/65/06/571006506.db2.gz JKAORIMTNAYZBK-NRFANRHFSA-N 0 0 377.532 4.967 50 0 GJAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000045967287 571008191 /nfs/dbraw/zinc/00/81/91/571008191.db2.gz QTRADFKUKZPUNG-UHFFFAOYSA-N 0 0 375.350 4.526 50 0 GJAARN CCC(CC)N(CC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000091440275 571008257 /nfs/dbraw/zinc/00/82/57/571008257.db2.gz MARUYLUIDZDSDA-UHFFFAOYSA-N 0 0 387.505 4.822 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)[nH]n2)s1 ZINC000084205715 571009486 /nfs/dbraw/zinc/00/94/86/571009486.db2.gz STVAGWGZXYLTNO-UHFFFAOYSA-N 0 0 379.407 4.738 50 0 GJAARN Cc1ccc(NC(=O)CN2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1C ZINC000037426034 571010942 /nfs/dbraw/zinc/01/09/42/571010942.db2.gz XZBFVUDHBMCKGC-HSZRJFAPSA-N 0 0 393.918 4.802 50 0 GJAARN O=C(Cc1ccc(F)cc1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000046004976 571011188 /nfs/dbraw/zinc/01/11/88/571011188.db2.gz ITOQEEJRGKXYKE-UHFFFAOYSA-N 0 0 394.446 4.858 50 0 GJAARN COCc1nc2scc(-c3ccccc3)c2c(NCc2csc(C)n2)n1 ZINC000084274818 571011694 /nfs/dbraw/zinc/01/16/94/571011694.db2.gz CVZIEIPRFSEZEV-UHFFFAOYSA-N 0 0 382.514 4.882 50 0 GJAARN CCOC(=O)CC1(NC(=O)N2CCC[C@H]2c2ccccc2Cl)CCCCC1 ZINC000046018648 571012120 /nfs/dbraw/zinc/01/21/20/571012120.db2.gz WJQBGSUKFUVCJW-SFHVURJKSA-N 0 0 392.927 4.843 50 0 GJAARN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000084313994 571012639 /nfs/dbraw/zinc/01/26/39/571012639.db2.gz LKQCOWBKCHDLRP-GOSISDBHSA-N 0 0 387.405 4.960 50 0 GJAARN Cn1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc2ccccc21 ZINC000084313909 571012746 /nfs/dbraw/zinc/01/27/46/571012746.db2.gz ZLNFQFLBOQTVGE-UHFFFAOYSA-N 0 0 393.830 4.929 50 0 GJAARN O=C(c1cc(C2CC2)n[nH]1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000084341436 571014132 /nfs/dbraw/zinc/01/41/32/571014132.db2.gz UOWOSMHCGJAQLU-UHFFFAOYSA-N 0 0 376.287 4.914 50 0 GJAARN CCOc1ccccc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O ZINC000007671958 571014307 /nfs/dbraw/zinc/01/43/07/571014307.db2.gz BVPOTYXDRPUVCE-UHFFFAOYSA-N 0 0 382.510 4.942 50 0 GJAARN Cc1ccc(CN(C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c(C)c1 ZINC000007674426 571014700 /nfs/dbraw/zinc/01/47/00/571014700.db2.gz DIVRBVSMYFKNOO-UHFFFAOYSA-N 0 0 389.524 4.900 50 0 GJAARN CN(C(=O)CSCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000012765619 571015574 /nfs/dbraw/zinc/01/55/74/571015574.db2.gz JNSLEGDRDWJZOI-UHFFFAOYSA-N 0 0 396.556 4.816 50 0 GJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000046056227 571015952 /nfs/dbraw/zinc/01/59/52/571015952.db2.gz JPYAPMBCKVAYJB-CYBMUJFWSA-N 0 0 380.517 4.583 50 0 GJAARN Cc1nn(-c2cccc(F)c2)c2c1[C@H](C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056528 571016579 /nfs/dbraw/zinc/01/65/79/571016579.db2.gz ZMRJASMHCIZYEZ-HXUWFJFHSA-N 0 0 399.425 4.782 50 0 GJAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C(O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046056759 571016692 /nfs/dbraw/zinc/01/66/92/571016692.db2.gz XGJSNTRISBNGMJ-FQEVSTJZSA-N 0 0 387.483 4.723 50 0 GJAARN Fc1ccc([C@H]2CN(C(=S)Nc3ccc(SC(F)F)cc3)CCO2)cc1 ZINC000084393630 571016946 /nfs/dbraw/zinc/01/69/46/571016946.db2.gz JEOJWWOUVIMKJG-MRXNPFEDSA-N 0 0 398.475 4.911 50 0 GJAARN O=S(=O)(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccs1 ZINC000084501831 571019648 /nfs/dbraw/zinc/01/96/48/571019648.db2.gz RNBURZOEUIYIRM-QGZVFWFLSA-N 0 0 381.881 4.609 50 0 GJAARN S=C(Nc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019594255 571020335 /nfs/dbraw/zinc/02/03/35/571020335.db2.gz IKCLESDMCSMYBE-UHFFFAOYSA-N 0 0 387.552 4.791 50 0 GJAARN FC(F)(F)c1cccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)c1 ZINC000046078122 571020673 /nfs/dbraw/zinc/02/06/73/571020673.db2.gz HXKNCIKHSYZLSP-UHFFFAOYSA-N 0 0 387.409 4.953 50 0 GJAARN Nc1c(Cl)cc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1Cl ZINC000084541475 571022771 /nfs/dbraw/zinc/02/27/71/571022771.db2.gz CSDXVLDUVRKJRZ-UHFFFAOYSA-N 0 0 392.311 4.804 50 0 GJAARN CC(C)COC1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000084544373 571022797 /nfs/dbraw/zinc/02/27/97/571022797.db2.gz YQPKBKPFEUZHJL-UHFFFAOYSA-N 0 0 380.941 4.546 50 0 GJAARN Cc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(F)c(F)c2)s1 ZINC000037525981 571026049 /nfs/dbraw/zinc/02/60/49/571026049.db2.gz CUYGBJFICUGCLG-UHFFFAOYSA-N 0 0 397.450 4.663 50 0 GJAARN CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)c1 ZINC000012773903 571027563 /nfs/dbraw/zinc/02/75/63/571027563.db2.gz ROZCJVNVOITUAG-UHFFFAOYSA-N 0 0 389.386 4.792 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NC(C)C ZINC000037546958 571029627 /nfs/dbraw/zinc/02/96/27/571029627.db2.gz MITALSQXPYHPPD-UHFFFAOYSA-N 0 0 399.441 4.708 50 0 GJAARN CCNC(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccccc1C ZINC000037547205 571029676 /nfs/dbraw/zinc/02/96/76/571029676.db2.gz LNGNPVJNAVTRCQ-UHFFFAOYSA-N 0 0 377.488 4.659 50 0 GJAARN COc1ccc2c(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)coc2c1 ZINC000007742983 571030488 /nfs/dbraw/zinc/03/04/88/571030488.db2.gz AMRHBVYVSQCAAL-UHFFFAOYSA-N 0 0 396.443 4.809 50 0 GJAARN C[C@@H]1CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccccc2)O1 ZINC000084714128 571032332 /nfs/dbraw/zinc/03/23/32/571032332.db2.gz XHUSSOFEBLKTHW-CXAGYDPISA-N 0 0 396.434 4.744 50 0 GJAARN CCCCn1c2ccc(C(F)(F)F)cc2nc1S[C@@H]1CCCCNC1=O ZINC000011419164 571033740 /nfs/dbraw/zinc/03/37/40/571033740.db2.gz TUZKKINZEQSUOM-OAHLLOKOSA-N 0 0 385.455 4.616 50 0 GJAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007775568 571035310 /nfs/dbraw/zinc/03/53/10/571035310.db2.gz NEWWZLXDGGZSFK-UHFFFAOYSA-N 0 0 388.496 4.706 50 0 GJAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007775865 571035317 /nfs/dbraw/zinc/03/53/17/571035317.db2.gz GCDKBCDZVNUGEO-MRXNPFEDSA-N 0 0 388.496 4.706 50 0 GJAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)o2)cc1 ZINC000195237505 571036527 /nfs/dbraw/zinc/03/65/27/571036527.db2.gz XLVUKCDHZGQRQW-COWPFQIUSA-N 0 0 387.545 4.591 50 0 GJAARN COc1ccc(-c2nc(S[C@@H](C)c3c(F)cccc3F)n[nH]2)c(OC)c1 ZINC000066006181 571038154 /nfs/dbraw/zinc/03/81/54/571038154.db2.gz QPPXPFHSFICRPC-JTQLQIEISA-N 0 0 377.416 4.620 50 0 GJAARN Cc1ccc(-n2ccnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000011424722 571045313 /nfs/dbraw/zinc/04/53/13/571045313.db2.gz ZXIMVPSNBJOZFP-HNNXBMFYSA-N 0 0 376.485 4.579 50 0 GJAARN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCCC[C@H]1c1nccs1 ZINC000151619860 571046406 /nfs/dbraw/zinc/04/64/06/571046406.db2.gz RVPRHYKLBBCRBE-AWEZNQCLSA-N 0 0 391.345 4.507 50 0 GJAARN Cc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004815008 571047724 /nfs/dbraw/zinc/04/77/24/571047724.db2.gz CHFJRHLYPSIIJZ-XZOQPEGZSA-N 0 0 394.478 4.968 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(Nc2ccccc2)s1 ZINC000011541384 571095714 /nfs/dbraw/zinc/09/57/14/571095714.db2.gz QRKKUPGKEKNDFN-DZGCQCFKSA-N 0 0 376.551 4.553 50 0 GJAARN CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 ZINC000011541382 571095771 /nfs/dbraw/zinc/09/57/71/571095771.db2.gz QRKKUPGKEKNDFN-UKRRQHHQSA-N 0 0 376.551 4.553 50 0 GJAARN C=C1C[C@H]2[C@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004024890 581091591 /nfs/dbraw/zinc/09/15/91/581091591.db2.gz YCDZXIYKJHQMIG-JQBUYCCYSA-N 0 0 384.516 4.575 50 0 biogenic GJAARN C=C1C[C@H]2[C@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004024887 581091696 /nfs/dbraw/zinc/09/16/96/581091696.db2.gz YCDZXIYKJHQMIG-YLNXRLNMSA-N 0 0 384.516 4.575 50 0 biogenic GJAARN O=C(N1CCS[C@H](c2ccccc2F)CC1)C1(c2ccccc2)CCOCC1 ZINC000219112766 222592397 /nfs/dbraw/zinc/59/23/97/222592397.db2.gz VBHWTQZSZBWBPW-NRFANRHFSA-N 0 0 399.531 4.581 50 0 GJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000023272845 230910873 /nfs/dbraw/zinc/91/08/73/230910873.db2.gz JOWPVKBQXHHMOD-ZDUSSCGKSA-N 0 0 390.270 4.644 50 0 GJAARN C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000024614687 230912825 /nfs/dbraw/zinc/91/28/25/230912825.db2.gz XKMTVPZKCIHBRK-LBPRGKRZSA-N 0 0 380.271 4.575 50 0 GJAARN O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1OC(F)F ZINC000057663091 230938090 /nfs/dbraw/zinc/93/80/90/230938090.db2.gz LXQGNWMORPODES-UHFFFAOYSA-N 0 0 379.366 4.879 50 0 GJAARN O=C(NCCC1=CCCCC1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919302 230947521 /nfs/dbraw/zinc/94/75/21/230947521.db2.gz NSDFNDSZWJORBR-UHFFFAOYSA-N 0 0 390.462 4.694 50 0 GJAARN O=C(OCc1csc(-c2ccsc2)n1)c1cc(O)c2ccccc2c1O ZINC000095349032 230974480 /nfs/dbraw/zinc/97/44/80/230974480.db2.gz FRICIGLFESWVON-UHFFFAOYSA-N 0 0 383.450 4.793 50 0 GJAARN O=S(=O)(c1ccc(F)c(F)c1)c1cnc2cc(F)c(Cl)cc2c1Cl ZINC000232314116 231037514 /nfs/dbraw/zinc/03/75/14/231037514.db2.gz SZSWVQVBYXPKNL-UHFFFAOYSA-N 0 0 392.185 4.792 50 0 GJAARN Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccncc2C(F)(F)F)c(C)c1 ZINC000408515198 231048775 /nfs/dbraw/zinc/04/87/75/231048775.db2.gz DOKHQJZJLCMGQZ-UHFFFAOYSA-N 0 0 392.421 4.695 50 0 GJAARN CCn1nc(C)c([C@H](C)NC(=O)N(Cc2cccnc2)C2CCCCC2)c1C ZINC000426396685 231214028 /nfs/dbraw/zinc/21/40/28/231214028.db2.gz WLXBFBDBCDMBSH-INIZCTEOSA-N 0 0 383.540 4.520 50 0 GJAARN Cc1cccc2cc(C(=O)N(Cc3ccncc3)C[C@@H](O)c3ccccc3)oc21 ZINC000426361425 231208964 /nfs/dbraw/zinc/20/89/64/231208964.db2.gz VCDIFUWBGGGNRH-OAQYLSRUSA-N 0 0 386.451 4.512 50 0 GJAARN COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000426593669 231245454 /nfs/dbraw/zinc/24/54/54/231245454.db2.gz JPXFVCIXPCGXBA-QFIPXVFZSA-N 0 0 380.532 4.841 50 0 GJAARN O=C(N[C@@H](c1cccnc1)C1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225618841 222686757 /nfs/dbraw/zinc/68/67/57/222686757.db2.gz NEZYJERPMHGCGS-OAQYLSRUSA-N 0 0 398.934 4.831 50 0 GJAARN O=S(=O)(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 ZINC000002067707 212263766 /nfs/dbraw/zinc/26/37/66/212263766.db2.gz BTTFPBRLPBLVNA-UHFFFAOYSA-N 0 0 396.855 4.718 50 0 GJAARN COc1cc(CNC(=O)c2cc(Cl)ccc2Cl)ccc1OC(F)F ZINC000010441115 212257088 /nfs/dbraw/zinc/25/70/88/212257088.db2.gz FNUGXTDZJUILEQ-UHFFFAOYSA-N 0 0 376.186 4.533 50 0 GJAARN Clc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCOCC2)c1 ZINC000001447626 212246794 /nfs/dbraw/zinc/24/67/94/212246794.db2.gz DVJGGMORWMEKGG-UHFFFAOYSA-N 0 0 390.874 4.578 50 0 GJAARN COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000010226124 212239040 /nfs/dbraw/zinc/23/90/40/212239040.db2.gz OJQBBARAXJIIFP-QGZVFWFLSA-N 0 0 379.287 4.778 50 0 GJAARN O=C(NCCc1c[nH]c2ccccc12)c1cc2cc(Br)ccc2o1 ZINC000010146685 212237658 /nfs/dbraw/zinc/23/76/58/212237658.db2.gz DZUTZEFZLRZROQ-UHFFFAOYSA-N 0 0 383.245 4.649 50 0 biogenic GJAARN Cc1ccccc1S(=O)(=O)Cc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000001388651 212241311 /nfs/dbraw/zinc/24/13/11/212241311.db2.gz DLFWDWNUCMVJKU-UHFFFAOYSA-N 0 0 390.460 4.946 50 0 GJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC(=O)N1Cc1ccccc1Cl ZINC000001389863 212241225 /nfs/dbraw/zinc/24/12/25/212241225.db2.gz NIKPNPZWLLKONU-MRXNPFEDSA-N 0 0 397.689 4.777 50 0 GJAARN N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000001275072 212234173 /nfs/dbraw/zinc/23/41/73/212234173.db2.gz XOEQHQLIMFIEKC-HNNXBMFYSA-N 0 0 380.300 4.911 50 0 GJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C)n1)CCCC3 ZINC000001244087 212233029 /nfs/dbraw/zinc/23/30/29/212233029.db2.gz IREZASRRBZBJIP-UHFFFAOYSA-N 0 0 383.542 4.918 50 0 GJAARN CCCc1ccc(OCc2nnc(NC(=O)Nc3ccccc3OC)s2)cc1 ZINC000001261115 212231917 /nfs/dbraw/zinc/23/19/17/212231917.db2.gz DNALJFXBZKZYDE-UHFFFAOYSA-N 0 0 398.488 4.722 50 0 GJAARN Cc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000001218491 212231328 /nfs/dbraw/zinc/23/13/28/212231328.db2.gz IEVVYTRTUMDCHQ-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000001217206 212230498 /nfs/dbraw/zinc/23/04/98/212230498.db2.gz MBCGUKUGAFBTFZ-UHFFFAOYSA-N 0 0 391.267 4.748 50 0 GJAARN Cc1ccc(Cn2c3ccccc3nc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001208836 212229892 /nfs/dbraw/zinc/22/98/92/212229892.db2.gz VUXRDJVCYPQEJF-UHFFFAOYSA-N 0 0 375.859 4.721 50 0 GJAARN CCN(CC)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C)C2 ZINC000001211771 212229627 /nfs/dbraw/zinc/22/96/27/212229627.db2.gz PHCIOXNZDYMXSV-ZDUSSCGKSA-N 0 0 388.508 4.746 50 0 GJAARN Cc1cccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C2(C)C)c1 ZINC000001208803 212229109 /nfs/dbraw/zinc/22/91/09/212229109.db2.gz PTGOQHOXBMAXHG-UHFFFAOYSA-N 0 0 384.479 4.967 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000001205556 212228779 /nfs/dbraw/zinc/22/87/79/212228779.db2.gz GWLGRAOSYOKFLG-UHFFFAOYSA-N 0 0 377.831 4.901 50 0 GJAARN Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000001204012 212227855 /nfs/dbraw/zinc/22/78/55/212227855.db2.gz MHTBSWXRIIHADW-UHFFFAOYSA-N 0 0 376.387 4.960 50 0 GJAARN Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc3ccccc32)cc1 ZINC000001185155 212227342 /nfs/dbraw/zinc/22/73/42/212227342.db2.gz KXPFYCDKHRNKFA-QHCPKHFHSA-N 0 0 384.435 4.792 50 0 GJAARN Nc1nc(C(Cl)(Cl)Cl)nc(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000001184288 212227382 /nfs/dbraw/zinc/22/73/82/212227382.db2.gz ZMPVBMOJNMVZOY-UHFFFAOYSA-N 0 0 392.673 4.784 50 0 GJAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CCCC3)n2)cc1OC ZINC000001188479 212226933 /nfs/dbraw/zinc/22/69/33/212226933.db2.gz YMQNMOBTRHEVFD-UHFFFAOYSA-N 0 0 375.472 4.736 50 0 GJAARN COc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 ZINC000001186081 212226984 /nfs/dbraw/zinc/22/69/84/212226984.db2.gz IADGIOSGGLIXEK-UHFFFAOYSA-N 0 0 392.846 4.643 50 0 GJAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccs1 ZINC000001186259 212227025 /nfs/dbraw/zinc/22/70/25/212227025.db2.gz YVARGRCTOPFTAT-UHFFFAOYSA-N 0 0 397.456 4.822 50 0 GJAARN O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(Cc2ccncc2)cc1 ZINC000001188118 212227110 /nfs/dbraw/zinc/22/71/10/212227110.db2.gz LXPWEQDDHLUAKR-UHFFFAOYSA-N 0 0 383.234 4.780 50 0 GJAARN O=C(NC(=S)Nc1ccc(Br)c2ccccc12)c1cccs1 ZINC000001177935 212226103 /nfs/dbraw/zinc/22/61/03/212226103.db2.gz MOFZMLOYMMZUOY-UHFFFAOYSA-N 0 0 391.315 4.791 50 0 GJAARN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(I)cc1 ZINC000001169704 212225183 /nfs/dbraw/zinc/22/51/83/212225183.db2.gz ZJJJBIPWZKQQOE-UHFFFAOYSA-N 0 0 383.229 4.742 50 0 GJAARN O=C(Nc1nnc(CSCc2ccc(F)cc2)s1)Nc1ccccc1F ZINC000001168642 212225333 /nfs/dbraw/zinc/22/53/33/212225333.db2.gz SGLPTWCLFAKOPL-UHFFFAOYSA-N 0 0 392.456 4.894 50 0 GJAARN COc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000001166886 212225026 /nfs/dbraw/zinc/22/50/26/212225026.db2.gz CWZFMRMYAIUKRB-UHFFFAOYSA-N 0 0 378.428 4.916 50 0 GJAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1Cl ZINC000001169053 212224513 /nfs/dbraw/zinc/22/45/13/212224513.db2.gz VXGJQSHEYUGQEH-UHFFFAOYSA-N 0 0 375.049 4.773 50 0 GJAARN Cc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000001158852 212224234 /nfs/dbraw/zinc/22/42/34/212224234.db2.gz RAMRHFGTWHMGPU-QGZVFWFLSA-N 0 0 390.270 4.568 50 0 GJAARN O=S(=O)(Nc1ccc(Br)cc1F)c1c(Cl)cccc1Cl ZINC000001135154 212222367 /nfs/dbraw/zinc/22/23/67/212222367.db2.gz VUDLGKMUOKOMQN-UHFFFAOYSA-N 0 0 399.068 4.696 50 0 GJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000001128217 212221155 /nfs/dbraw/zinc/22/11/55/212221155.db2.gz YDNQWVQHOZJNLQ-UHFFFAOYSA-N 0 0 377.054 4.880 50 0 GJAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)c4ccco4)ccc32)cc1 ZINC000001103111 212216194 /nfs/dbraw/zinc/21/61/94/212216194.db2.gz FWBABBDQPYVCNH-UHFFFAOYSA-N 0 0 389.407 4.962 50 0 biogenic GJAARN COc1ccc(NC(=O)NC2c3ccccc3Oc3ccccc32)cc1OC ZINC000001088835 212216239 /nfs/dbraw/zinc/21/62/39/212216239.db2.gz NLTIABUNOSLYPY-UHFFFAOYSA-N 0 0 376.412 4.721 50 0 GJAARN Nc1nc2n(n1)[C@H](c1cccc(Cl)c1)C[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000001114992 212219082 /nfs/dbraw/zinc/21/90/82/212219082.db2.gz WMKHFSUZWHEKSL-GJZGRUSLSA-N 0 0 394.693 4.967 50 0 GJAARN Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Br)s1 ZINC000001102195 212216080 /nfs/dbraw/zinc/21/60/80/212216080.db2.gz IYFCDPGFJXSAIK-UHFFFAOYSA-N 0 0 380.292 4.524 50 0 GJAARN O=C(Nc1ccccn1)c1c2c(sc1NC(=O)c1ccccc1)CCCCC2 ZINC000001081678 212215643 /nfs/dbraw/zinc/21/56/43/212215643.db2.gz DWALMTZTPJNLJA-UHFFFAOYSA-N 0 0 391.496 4.917 50 0 GJAARN CSc1c2ccccc2n(C)c1CC(=O)Nc1cccc(Br)c1 ZINC000001080865 212215681 /nfs/dbraw/zinc/21/56/81/212215681.db2.gz OOIBXRPEEYLCKH-UHFFFAOYSA-N 0 0 389.318 4.844 50 0 GJAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc2ccccc12 ZINC000001084850 212215719 /nfs/dbraw/zinc/21/57/19/212215719.db2.gz JVDKZFYHJQKUOW-PDGQHHTCSA-N 0 0 378.225 4.947 50 0 GJAARN Fc1cccc(F)c1CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000001080689 212215319 /nfs/dbraw/zinc/21/53/19/212215319.db2.gz SYXUNISZGBAHRX-UHFFFAOYSA-N 0 0 380.423 4.900 50 0 GJAARN CCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1C(F)(F)F ZINC000001084430 212215062 /nfs/dbraw/zinc/21/50/62/212215062.db2.gz UDXRCULMWYBXQF-UHFFFAOYSA-N 0 0 397.194 4.729 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000001070687 212214069 /nfs/dbraw/zinc/21/40/69/212214069.db2.gz YECAPNMUMGYCOV-UHFFFAOYSA-N 0 0 380.757 4.531 50 0 GJAARN O=C1c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C(=O)N1Cc1ccccc1 ZINC000001061771 212212527 /nfs/dbraw/zinc/21/25/27/212212527.db2.gz XJQHZDGXRKJOHY-UHFFFAOYSA-N 0 0 388.810 4.944 50 0 GJAARN Fc1ccc(OCCc2nc(-c3ccc(C4SCCS4)cc3)no2)cc1 ZINC000001039052 212208924 /nfs/dbraw/zinc/20/89/24/212208924.db2.gz KTPVURVKHSXMJW-UHFFFAOYSA-N 0 0 388.489 4.976 50 0 GJAARN O=C(CSc1nccc(-c2cccs2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000001032532 212206958 /nfs/dbraw/zinc/20/69/58/212206958.db2.gz 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ZINC000000977589 212201048 /nfs/dbraw/zinc/20/10/48/212201048.db2.gz KMEIGMGYLCGTAM-UHFFFAOYSA-N 0 0 397.725 4.846 50 0 GJAARN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000000970033 212201112 /nfs/dbraw/zinc/20/11/12/212201112.db2.gz KCBQWAVHXWGPIZ-UHFFFAOYSA-N 0 0 387.483 4.561 50 0 GJAARN CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(C(=O)OC)c1 ZINC000000954339 212200063 /nfs/dbraw/zinc/20/00/63/212200063.db2.gz OHYBJPRHSWYTKN-UHFFFAOYSA-N 0 0 384.819 4.595 50 0 GJAARN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1F ZINC000000944902 212198942 /nfs/dbraw/zinc/19/89/42/212198942.db2.gz YUMBQNYQRJAWTR-UHFFFAOYSA-N 0 0 380.257 4.903 50 0 GJAARN CCN1c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)c3cccc(c23)C1=O ZINC000000947133 212198343 /nfs/dbraw/zinc/19/83/43/212198343.db2.gz PRGGUNAULIQBLZ-UHFFFAOYSA-N 0 0 388.320 4.629 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1Br ZINC000000943931 212197053 /nfs/dbraw/zinc/19/70/53/212197053.db2.gz WXBYMEOMUFNHAL-VQHVLOKHSA-N 0 0 389.274 4.719 50 0 GJAARN Cc1cc(C)c2nc(C(F)(F)F)nc(NCc3ccc4c(c3)OCO4)c2c1 ZINC000000937300 212196866 /nfs/dbraw/zinc/19/68/66/212196866.db2.gz WBHJEIIQCOFANB-UHFFFAOYSA-N 0 0 375.350 4.606 50 0 GJAARN CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(C)cc1 ZINC000000866302 212192096 /nfs/dbraw/zinc/19/20/96/212192096.db2.gz KYOAQPADFBFYIN-UHFFFAOYSA-N 0 0 383.513 4.774 50 0 GJAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1OC ZINC000000849038 212188939 /nfs/dbraw/zinc/18/89/39/212188939.db2.gz IOKJCTLLTFMVMY-UHFFFAOYSA-N 0 0 392.386 4.903 50 0 GJAARN Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000000803511 212182296 /nfs/dbraw/zinc/18/22/96/212182296.db2.gz AYDAMERZVGNUCC-UHFFFAOYSA-N 0 0 378.428 4.880 50 0 GJAARN CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 ZINC000000752707 212180099 /nfs/dbraw/zinc/18/00/99/212180099.db2.gz BFEJPJQXAUWNQH-UHFFFAOYSA-N 0 0 397.496 4.951 50 0 GJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000000831478 212186737 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CC1(C)COC(c2cc3ccc2CCc2ccc(cc2Br)CC3)=N1 ZINC000000719504 212178007 /nfs/dbraw/zinc/17/80/07/212178007.db2.gz ZDZJVJSKZYICMA-UHFFFAOYSA-N 0 0 384.317 4.888 50 0 GJAARN COc1cc(SC)ccc1C(=O)Nc1cccc(CCc2ccccn2)c1 ZINC000000709340 212177158 /nfs/dbraw/zinc/17/71/58/212177158.db2.gz BPWDEUDZHJZAPT-UHFFFAOYSA-N 0 0 378.497 4.850 50 0 GJAARN CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000706474 212175830 /nfs/dbraw/zinc/17/58/30/212175830.db2.gz ZWTIHMWHBJYSPJ-OAQYLSRUSA-N 0 0 378.472 4.734 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccccc2)cc1 ZINC000000752924 212179344 /nfs/dbraw/zinc/17/93/44/212179344.db2.gz ZTLNOKXJDVWHOR-UHFFFAOYSA-N 0 0 384.435 4.905 50 0 GJAARN CC(=O)n1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c2ccccc21 ZINC000000656856 212171525 /nfs/dbraw/zinc/17/15/25/212171525.db2.gz XARHZZOCHBTSGH-MOSHPQCFSA-N 0 0 386.451 4.943 50 0 GJAARN CCCc1cc(C(=O)OC)c(NC(=O)c2ccc(OCC(C)C)cc2)s1 ZINC000000659214 212171150 /nfs/dbraw/zinc/17/11/50/212171150.db2.gz 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ZINC000000643377 212168894 /nfs/dbraw/zinc/16/88/94/212168894.db2.gz QFHQXZHJEIZKGG-UHFFFAOYSA-N 0 0 380.831 4.853 50 0 GJAARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 ZINC000000645883 212168746 /nfs/dbraw/zinc/16/87/46/212168746.db2.gz XHPSFJKYJWDBMO-UHFFFAOYSA-N 0 0 386.498 4.558 50 0 GJAARN O=C(Nc1c2ncccc2oc1C(=O)Nc1ccc(F)cc1)c1cccs1 ZINC000009108463 212162725 /nfs/dbraw/zinc/16/27/25/212162725.db2.gz NFDMKQDAHZXBID-UHFFFAOYSA-N 0 0 381.388 4.533 50 0 GJAARN C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@@H]2O ZINC000105365888 212158674 /nfs/dbraw/zinc/15/86/74/212158674.db2.gz GWXDJKCRYNAAKC-IJEZIDCYSA-N 0 0 396.502 4.593 50 0 biogenic GJAARN C=CC(=O)Nc1cc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)ccc1F ZINC000152566320 212160496 /nfs/dbraw/zinc/16/04/96/212160496.db2.gz KCKDOYOGKMIESP-UHFFFAOYSA-N 0 0 392.434 4.512 50 0 GJAARN CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)C3CC3)ccc2c1=O ZINC000002434467 212146520 /nfs/dbraw/zinc/14/65/20/212146520.db2.gz BKTWCDQWXFPPLV-UHFFFAOYSA-N 0 0 380.396 4.608 50 0 biogenic GJAARN CCCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCC)cc2O)cc1 ZINC000017919855 212150078 /nfs/dbraw/zinc/15/00/78/212150078.db2.gz BQNYKFQPAGGIRM-UHFFFAOYSA-N 0 0 396.443 4.849 50 0 GJAARN COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccco4)cc3c2C)c1 ZINC000015729449 212149775 /nfs/dbraw/zinc/14/97/75/212149775.db2.gz IJVLPXWJQXKLDF-UHFFFAOYSA-N 0 0 375.380 4.826 50 0 GJAARN O=C(Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)c1cccnc1 ZINC000012391455 212149614 /nfs/dbraw/zinc/14/96/14/212149614.db2.gz ZXQCMVWNWFAAFS-UHFFFAOYSA-N 0 0 376.799 4.761 50 0 GJAARN CCOC(=O)c1c(C)oc2ccc(O[C@@H](C(=O)OCC)c3ccccc3)cc21 ZINC000001155757 212144987 /nfs/dbraw/zinc/14/49/87/212144987.db2.gz AFMSVNRTDPELSQ-HXUWFJFHSA-N 0 0 382.412 4.601 50 0 GJAARN COc1cccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1 ZINC000001448029 212144409 /nfs/dbraw/zinc/14/44/09/212144409.db2.gz YNIKJNNWQMMNPO-UHFFFAOYSA-N 0 0 394.404 4.875 50 0 GJAARN CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000257173716 212139581 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Cc1ccc2[nH]cc(CCNC(=O)COc3ccc(Cl)cc3Cl)c2c1 ZINC000002326944 206410363 /nfs/dbraw/zinc/41/03/63/206410363.db2.gz ONPVDYKEAOTPAG-UHFFFAOYSA-N 0 0 377.271 4.521 50 0 GJAARN Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 ZINC000002369666 206412235 /nfs/dbraw/zinc/41/22/35/206412235.db2.gz JNKPCIXBACFHNG-UHFFFAOYSA-N 0 0 375.453 4.717 50 0 aggregator GJAARN Cn1nc(SCC(=O)N2c3ccccc3CCc3ccccc32)sc1=S ZINC000002365964 206412381 /nfs/dbraw/zinc/41/23/81/206412381.db2.gz VCNCLXGVQJSTTM-UHFFFAOYSA-N 0 0 399.566 4.767 50 0 GJAARN Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002432982 206416799 /nfs/dbraw/zinc/41/67/99/206416799.db2.gz LZDQVJJPJLMKHX-SFHVURJKSA-N 0 0 388.448 4.616 50 0 GJAARN Cc1cc(C)c2c(nn3c2nc(C)cc3Nc2ccc(Br)cc2)n1 ZINC000002438065 206417031 /nfs/dbraw/zinc/41/70/31/206417031.db2.gz YUGOMBVFPJFTJB-UHFFFAOYSA-N 0 0 382.265 4.709 50 0 GJAARN CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000002762320 206433707 /nfs/dbraw/zinc/43/37/07/206433707.db2.gz 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206469890 /nfs/dbraw/zinc/46/98/90/206469890.db2.gz GNYIFNWDUWEAMH-UHFFFAOYSA-N 0 0 391.414 4.773 50 0 GJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000003335733 206472102 /nfs/dbraw/zinc/47/21/02/206472102.db2.gz IUPLGCYENAPOID-JTQLQIEISA-N 0 0 386.826 4.824 50 0 GJAARN O=C(Nc1cc(C(=O)N2CCc3ccccc32)ccc1Cl)c1cccs1 ZINC000003400227 206476674 /nfs/dbraw/zinc/47/66/74/206476674.db2.gz SQAWSVOLCZCMLV-UHFFFAOYSA-N 0 0 382.872 4.857 50 0 GJAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(Cl)cc2)N1C1CCCC1 ZINC000003039026 206454375 /nfs/dbraw/zinc/45/43/75/206454375.db2.gz RXLVJTRUPKEFGE-OAQYLSRUSA-N 0 0 388.939 4.717 50 0 GJAARN CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000003263740 206464839 /nfs/dbraw/zinc/46/48/39/206464839.db2.gz QGZSILIJHSKUTF-UHFFFAOYSA-N 0 0 375.424 4.548 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)CN(C)Cc1c(F)cccc1Cl ZINC000003433277 206479072 /nfs/dbraw/zinc/47/90/72/206479072.db2.gz KSSUCDBGDJZHIF-UHFFFAOYSA-N 0 0 385.266 4.520 50 0 GJAARN Cc1ccccc1Nc1nnc(SCC(=O)NCCC2=CCCCC2)s1 ZINC000003292419 206468262 /nfs/dbraw/zinc/46/82/62/206468262.db2.gz LFAIALDGXDAIRN-UHFFFAOYSA-N 0 0 388.562 4.689 50 0 GJAARN CCOCc1c2ccccc2oc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000003544402 206486597 /nfs/dbraw/zinc/48/65/97/206486597.db2.gz WBGHTGBDFCTTRE-UHFFFAOYSA-N 0 0 378.833 4.724 50 0 GJAARN O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)N1CCCCC1 ZINC000003581566 206487824 /nfs/dbraw/zinc/48/78/24/206487824.db2.gz ACEJAYCQGNVBFB-UHFFFAOYSA-N 0 0 382.504 4.933 50 0 GJAARN CCCC(=O)OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC ZINC000003443629 206480356 /nfs/dbraw/zinc/48/03/56/206480356.db2.gz FKQHJGUHPQKYFH-UHFFFAOYSA-N 0 0 377.440 4.922 50 0 GJAARN Cc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000004033503 206500303 /nfs/dbraw/zinc/50/03/03/206500303.db2.gz LUQNPBJCAPZKRJ-JOCHJYFZSA-N 0 0 395.506 4.909 50 0 GJAARN COc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 ZINC000004145549 206504099 /nfs/dbraw/zinc/50/40/99/206504099.db2.gz HPEGPYJPJMOEDB-UHFFFAOYSA-N 0 0 388.496 4.939 50 0 GJAARN COc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000004509255 206525280 /nfs/dbraw/zinc/52/52/80/206525280.db2.gz PPYYQIHHJRWFDU-KRWDZBQOSA-N 0 0 398.850 4.768 50 0 GJAARN COc1ccc(NC(=O)CCCCCCCCCC[C@@H]2COCCO2)cc1 ZINC000004577758 206531939 /nfs/dbraw/zinc/53/19/39/206531939.db2.gz XYOKDQCCBRNXQN-OAQYLSRUSA-N 0 0 377.525 4.950 50 0 GJAARN COc1ccc(C2=N/C(=C/C(C)=C/c3ccccc3)C(=O)O2)cc1Br ZINC000004590415 206533535 /nfs/dbraw/zinc/53/35/35/206533535.db2.gz JPGAYTGKMNFSFV-YAXRHUFXSA-N 0 0 398.256 4.749 50 0 GJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000004696101 206543835 /nfs/dbraw/zinc/54/38/35/206543835.db2.gz PMMDWJASKGXYKU-DEOSSOPVSA-N 0 0 396.446 4.950 50 0 GJAARN CC1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000004898774 206568139 /nfs/dbraw/zinc/56/81/39/206568139.db2.gz VKTWDLFLRPZANP-UHFFFAOYSA-N 0 0 396.445 4.873 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3cc4cc5ccc(C)cc5nc4o3)C[C@@H]2C)c1 ZINC000004906731 206569283 /nfs/dbraw/zinc/56/92/83/206569283.db2.gz YSGSTDXTHATKDZ-SFHVURJKSA-N 0 0 399.494 4.949 50 0 GJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCc2ccccc21 ZINC000004935511 206572959 /nfs/dbraw/zinc/57/29/59/206572959.db2.gz VRUCMCYZBCYUIR-UHFFFAOYSA-N 0 0 396.494 4.535 50 0 GJAARN CC1=NN(C2(CNC(=O)c3ccccc3)CCCCC2)[C@@H](c2ccccc2)C1 ZINC000004770882 206553505 /nfs/dbraw/zinc/55/35/05/206553505.db2.gz ZPEYJZCTFQHDPP-JOCHJYFZSA-N 0 0 375.516 4.942 50 0 GJAARN C[C@H](CCc1ccco1)NC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005034038 206586290 /nfs/dbraw/zinc/58/62/90/206586290.db2.gz KARLYZSGZJXDIP-CYBMUJFWSA-N 0 0 397.475 4.785 50 0 GJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 ZINC000005099428 206591228 /nfs/dbraw/zinc/59/12/28/206591228.db2.gz CCLWOWCIGYHRKC-UHFFFAOYSA-N 0 0 376.481 4.902 50 0 GJAARN COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1 ZINC000004937703 206574307 /nfs/dbraw/zinc/57/43/07/206574307.db2.gz DQMBNAPJCJKNOY-FCQUAONHSA-N 0 0 391.448 4.507 50 0 GJAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)NCc1ccccc1 ZINC000005288159 206604608 /nfs/dbraw/zinc/60/46/08/206604608.db2.gz WAAMRRSMZCYBCU-UHFFFAOYSA-N 0 0 391.521 4.767 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(C)c(C)n1CC(C)C ZINC000005152041 206594963 /nfs/dbraw/zinc/59/49/63/206594963.db2.gz RHEZSBOYPMOAJK-AWEZNQCLSA-N 0 0 395.956 4.937 50 0 GJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000005249027 206601339 /nfs/dbraw/zinc/60/13/39/206601339.db2.gz RJKLPBDHQWLTAC-UHFFFAOYSA-N 0 0 387.679 4.649 50 0 GJAARN CSc1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000005508002 206615914 /nfs/dbraw/zinc/61/59/14/206615914.db2.gz RLKSOJHRIAVQCG-UHFFFAOYSA-N 0 0 377.465 4.657 50 0 GJAARN COc1ccc(Oc2cc(C[S@@](=O)c3ccc(Cl)cc3)nc(C)n2)cc1 ZINC000005423497 206611020 /nfs/dbraw/zinc/61/10/20/206611020.db2.gz WMHXTLKDPNZPLY-SANMLTNESA-N 0 0 388.876 4.547 50 0 GJAARN CC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)nc1-c1ccccc1 ZINC000005607464 206621816 /nfs/dbraw/zinc/62/18/16/206621816.db2.gz HDARXGRBWSKTBQ-HNNXBMFYSA-N 0 0 380.469 4.727 50 0 GJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccncc2)N1 ZINC000005525738 206618121 /nfs/dbraw/zinc/61/81/21/206618121.db2.gz CSEBDOFFWLWJNL-FQEVSTJZSA-N 0 0 384.464 4.614 50 0 GJAARN Cc1cc(C(=O)COC(=O)c2c(F)cccc2Cl)c(C)n1Cc1ccco1 ZINC000005872235 206630681 /nfs/dbraw/zinc/63/06/81/206630681.db2.gz CDPBQLHLQDIJFU-UHFFFAOYSA-N 0 0 389.810 4.578 50 0 GJAARN Cc1nc(C)c(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)s1 ZINC000006367070 206648851 /nfs/dbraw/zinc/64/88/51/206648851.db2.gz FVJVQVFCAOEQFD-NRFANRHFSA-N 0 0 399.443 4.864 50 0 GJAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000006399156 206650330 /nfs/dbraw/zinc/65/03/30/206650330.db2.gz MWSWUTDFJGUFHS-QGZVFWFLSA-N 0 0 394.902 4.609 50 0 GJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)CC(C)C ZINC000006708778 206664307 /nfs/dbraw/zinc/66/43/07/206664307.db2.gz PEGORBDBWXQAJS-UHFFFAOYSA-N 0 0 389.584 4.768 50 0 GJAARN CCc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccco3)cc2)c1 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/nfs/dbraw/zinc/16/66/53/207166653.db2.gz WOMIDKJXTXRRGF-UHFFFAOYSA-N 0 0 382.895 4.695 50 0 GJAARN Cc1ccc(C(=O)N[C@@H](N(C)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000019799957 207162704 /nfs/dbraw/zinc/16/27/04/207162704.db2.gz ZGCTYGCYACCXTO-KRWDZBQOSA-N 0 0 385.722 4.553 50 0 GJAARN CCc1cccc(NC(=O)[C@H](CC)n2nc(-c3cc(C)ccc3C)ccc2=O)c1 ZINC000020095638 207177259 /nfs/dbraw/zinc/17/72/59/207177259.db2.gz QJCAPCLBBWOQEB-QFIPXVFZSA-N 0 0 389.499 4.679 50 0 GJAARN CC(=O)Nc1ccc(/C=C/c2cnc(/C=C/c3ccc(NC(C)=O)cc3)cn2)cc1 ZINC000020096655 207177506 /nfs/dbraw/zinc/17/75/06/207177506.db2.gz IFANLULNTZRKKN-FNCQTZNRSA-N 0 0 398.466 4.734 50 0 GJAARN Cc1cc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)n2)c(C)s1 ZINC000020015024 207172561 /nfs/dbraw/zinc/17/25/61/207172561.db2.gz KIKRRDLXFLNJGE-UHFFFAOYSA-N 0 0 382.466 4.847 50 0 GJAARN Cc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000020149626 207180304 /nfs/dbraw/zinc/18/03/04/207180304.db2.gz WXSAXWOVVXRQKS-CCEZHUSRSA-N 0 0 386.495 4.535 50 0 GJAARN CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c1 ZINC000020294423 207187392 /nfs/dbraw/zinc/18/73/92/207187392.db2.gz ALQBDZIRJZXUPV-UHFFFAOYSA-N 0 0 380.423 4.534 50 0 GJAARN Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC[C@H](C)C3)c2c1 ZINC000020380811 207189316 /nfs/dbraw/zinc/18/93/16/207189316.db2.gz AXZCIJAQRJLCOW-KRWDZBQOSA-N 0 0 380.513 4.612 50 0 GJAARN Cc1ccnc(NC(=O)c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)c1 ZINC000020426664 207191232 /nfs/dbraw/zinc/19/12/32/207191232.db2.gz URGVAYHXZIKVGA-CQSZACIVSA-N 0 0 378.272 4.514 50 0 GJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C[C@H](C)c1ccccc1)CO2 ZINC000020502147 207199346 /nfs/dbraw/zinc/19/93/46/207199346.db2.gz GIOFOOIUXPGYSL-HNNXBMFYSA-N 0 0 375.468 4.546 50 0 GJAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2cccc(F)c2)CO1 ZINC000020480077 207195915 /nfs/dbraw/zinc/19/59/15/207195915.db2.gz QWRRRRNDEGGMBF-UHFFFAOYSA-N 0 0 387.838 4.543 50 0 GJAARN COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2nc(C(C)C)cs2)C1 ZINC000020513615 207199764 /nfs/dbraw/zinc/19/97/64/207199764.db2.gz VSWBCVLNKXGGDX-AWEZNQCLSA-N 0 0 376.497 4.509 50 0 GJAARN COC(=O)c1sccc1NC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020557511 207202906 /nfs/dbraw/zinc/20/29/06/207202906.db2.gz XOGMQEAPYJNOBC-UHFFFAOYSA-N 0 0 391.539 4.701 50 0 GJAARN CSc1ccc(CCNc2ncnc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000020574509 207204629 /nfs/dbraw/zinc/20/46/29/207204629.db2.gz WLYOPUVXGNBCRJ-UHFFFAOYSA-N 0 0 380.448 4.800 50 0 GJAARN COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2onc(-c3ccccc3)c21 ZINC000020605868 207205483 /nfs/dbraw/zinc/20/54/83/207205483.db2.gz UELLHPTVFOZECX-UHFFFAOYSA-N 0 0 396.349 4.945 50 0 GJAARN O=C(NC1CCCCC1)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000020864167 207216226 /nfs/dbraw/zinc/21/62/26/207216226.db2.gz VOMOKPBINPCHPN-UHFFFAOYSA-N 0 0 383.492 4.862 50 0 GJAARN Cc1cc2nc(Cl)c(C(=O)Nc3ccc(Br)cc3)nc2cc1C ZINC000020854257 207217199 /nfs/dbraw/zinc/21/71/99/207217199.db2.gz FZRGWUUPJPQOIV-UHFFFAOYSA-N 0 0 390.668 4.915 50 0 GJAARN CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)OC(C)C)cc1 ZINC000020890300 207217999 /nfs/dbraw/zinc/21/79/99/207217999.db2.gz RUJDQMVENBZOFU-UHFFFAOYSA-N 0 0 386.517 4.557 50 0 GJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccs1)SCC(=O)N2 ZINC000020891104 207218031 /nfs/dbraw/zinc/21/80/31/207218031.db2.gz DEZAKAMUSJXSAB-INIZCTEOSA-N 0 0 398.538 4.627 50 0 GJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(Cl)cc2)cc1 ZINC000020892189 207218137 /nfs/dbraw/zinc/21/81/37/207218137.db2.gz XVHDZVZAUKPPPB-IBGZPJMESA-N 0 0 399.903 4.617 50 0 GJAARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000020892176 207218429 /nfs/dbraw/zinc/21/84/29/207218429.db2.gz SPZPJJNWMCMVAV-IBGZPJMESA-N 0 0 383.904 4.917 50 0 GJAARN COc1cccc(-n2cc(C(=O)N(C)c3cccc(C)c3)c3ccccc3c2=O)c1 ZINC000020904519 207218868 /nfs/dbraw/zinc/21/88/68/207218868.db2.gz CDFIDMRFGSXIRR-UHFFFAOYSA-N 0 0 398.462 4.584 50 0 GJAARN Cc1cccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCc2ccccc2)c1 ZINC000021362274 207230522 /nfs/dbraw/zinc/23/05/22/207230522.db2.gz VZACDGNJIPYACG-UHFFFAOYSA-N 0 0 383.451 4.659 50 0 GJAARN CCOc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2-n2cccc2)cc1 ZINC000020979811 207221129 /nfs/dbraw/zinc/22/11/29/207221129.db2.gz IQNKPHPVLMRKMQ-UHFFFAOYSA-N 0 0 386.455 4.622 50 0 GJAARN Cc1cc(-n2ccnc(NCCC3=CCCCC3)c2=O)ccc1Br ZINC000021537013 207230976 /nfs/dbraw/zinc/23/09/76/207230976.db2.gz ZBBIPJIWIMOMAN-UHFFFAOYSA-N 0 0 388.309 4.606 50 0 GJAARN CC(=O)N1N=C(c2ccccc2)O[C@H]1CCCOc1ccc(Cl)cc1Cl ZINC000021091746 207225836 /nfs/dbraw/zinc/22/58/36/207225836.db2.gz RGFCPYYDQMLTJV-SFHVURJKSA-N 0 0 393.270 4.719 50 0 GJAARN COc1ccc(CSc2nc3ccncc3n2Cc2ccc(OC)cc2)cc1 ZINC000021162351 207226952 /nfs/dbraw/zinc/22/69/52/207226952.db2.gz DJYPAYVIFRGORU-UHFFFAOYSA-N 0 0 391.496 4.789 50 0 GJAARN C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)c1nc2ccccc2c(=O)[nH]1 ZINC000021332124 207228072 /nfs/dbraw/zinc/22/80/72/207228072.db2.gz OCRJTTDMUWQCRP-LLVKDONJSA-N 0 0 398.538 4.753 50 0 GJAARN O=C(CSc1nc2ccc(F)cc2c(-c2ccccc2)n1)N1CCCCC1 ZINC000021172478 207228731 /nfs/dbraw/zinc/22/87/31/207228731.db2.gz UDMCMXMAMNUNGL-UHFFFAOYSA-N 0 0 381.476 4.541 50 0 GJAARN Cc1ccc2[nH]c(C(=O)NCCC(C)C)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021361981 207229473 /nfs/dbraw/zinc/22/94/73/207229473.db2.gz NTIGSOLESGCJBS-UHFFFAOYSA-N 0 0 381.451 4.644 50 0 GJAARN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1cccc(Cl)c1)SCC(=O)N2 ZINC000021525029 207231215 /nfs/dbraw/zinc/23/12/15/207231215.db2.gz HMNAQAWHPRDIHU-LJQANCHMSA-N 0 0 383.904 4.917 50 0 GJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000021557466 207232037 /nfs/dbraw/zinc/23/20/37/207232037.db2.gz SROSGLFGQDFPTI-XOBRGWDASA-N 0 0 398.890 4.718 50 0 GJAARN CCn1c(SCc2ccccc2F)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723317 207236143 /nfs/dbraw/zinc/23/61/43/207236143.db2.gz DQEVBNGMWWEZFS-UHFFFAOYSA-N 0 0 385.464 4.558 50 0 GJAARN COc1ccc(Br)cc1CN1CCC[C@@H]1c1cc(C(C)C)on1 ZINC000021720135 207236816 /nfs/dbraw/zinc/23/68/16/207236816.db2.gz AEPTWVBWKCEDGW-MRXNPFEDSA-N 0 0 379.298 4.906 50 0 GJAARN CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000021787534 207236946 /nfs/dbraw/zinc/23/69/46/207236946.db2.gz PWVUUQSMYFSZLK-OAQYLSRUSA-N 0 0 397.906 4.842 50 0 GJAARN Cc1ccccc1-c1nc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)no1 ZINC000021806646 207237992 /nfs/dbraw/zinc/23/79/92/207237992.db2.gz GPEGMFCPIGESER-CQSZACIVSA-N 0 0 385.851 4.721 50 0 GJAARN COc1ccccc1-c1nc2c3c(C)c(C)n(-c4cccc(C)c4)c3ncn2n1 ZINC000021801147 207238307 /nfs/dbraw/zinc/23/83/07/207238307.db2.gz PFVWINBXFPHWEY-UHFFFAOYSA-N 0 0 383.455 4.669 50 0 GJAARN Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(Cl)cc3)c2c1C ZINC000021872630 207240065 /nfs/dbraw/zinc/24/00/65/207240065.db2.gz QLEDOGWMSJXLCZ-UHFFFAOYSA-N 0 0 389.908 4.586 50 0 GJAARN Cc1ccccc1CNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000021886335 207241329 /nfs/dbraw/zinc/24/13/29/207241329.db2.gz MVTZRPRUDHQOJO-UHFFFAOYSA-N 0 0 375.453 4.704 50 0 GJAARN O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1ccccc1Cl ZINC000022458382 207253573 /nfs/dbraw/zinc/25/35/73/207253573.db2.gz UOZUKXIGWUFRDO-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000021914874 207242533 /nfs/dbraw/zinc/24/25/33/207242533.db2.gz FOMQTVRFLUIUHG-UHFFFAOYSA-N 0 0 386.455 4.582 50 0 GJAARN COc1ccc(CN(C(=O)c2sc(-c3ccccc3)nc2C)C2CC2)cc1 ZINC000021936590 207243839 /nfs/dbraw/zinc/24/38/39/207243839.db2.gz WULCDGNJKHHRKN-UHFFFAOYSA-N 0 0 378.497 4.932 50 0 GJAARN CCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000022490797 207255167 /nfs/dbraw/zinc/25/51/67/207255167.db2.gz ASYUSBIOEXGSHD-UHFFFAOYSA-N 0 0 386.499 4.561 50 0 GJAARN C[C@@H]1CCCCN1c1c2cc(F)ccc2ncc1S(=O)(=O)c1ccccc1 ZINC000022573704 207256509 /nfs/dbraw/zinc/25/65/09/207256509.db2.gz MDIBCBNKYZFEGK-OAHLLOKOSA-N 0 0 384.476 4.586 50 0 GJAARN O=C(c1ccc(F)c(F)c1F)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000022670833 207259326 /nfs/dbraw/zinc/25/93/26/207259326.db2.gz NVMXXXJCIMQGRG-UHFFFAOYSA-N 0 0 398.428 4.990 50 0 GJAARN CC(C)OCCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000022673575 207259790 /nfs/dbraw/zinc/25/97/90/207259790.db2.gz HAHYDNWCKTWIRH-UHFFFAOYSA-N 0 0 397.906 4.942 50 0 GJAARN O=C1CCCN1c1ccc(Nc2nc(-c3ccncc3)nc3ccccc32)cc1 ZINC000023078361 207269053 /nfs/dbraw/zinc/26/90/53/207269053.db2.gz FHZPKBKYKUWWNY-UHFFFAOYSA-N 0 0 381.439 4.562 50 0 GJAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C3 ZINC000023311872 207273338 /nfs/dbraw/zinc/27/33/38/207273338.db2.gz AVHSHTXBJRYCDL-LLVKDONJSA-N 0 0 392.808 4.834 50 0 GJAARN O=C(NCc1c(F)cccc1Cl)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000023325402 207273366 /nfs/dbraw/zinc/27/33/66/207273366.db2.gz XWQLNUDZQHJLDC-UHFFFAOYSA-N 0 0 389.835 4.866 50 0 GJAARN COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1F ZINC000023331347 207273376 /nfs/dbraw/zinc/27/33/76/207273376.db2.gz NUQORNIEQRUESY-UHFFFAOYSA-N 0 0 394.833 4.913 50 0 GJAARN Cc1ccc(-n2ncc(C(=O)N(C)Cc3ccsc3)c2C(F)(F)F)cc1 ZINC000022991043 207267269 /nfs/dbraw/zinc/26/72/69/207267269.db2.gz ZKMWZRODUUDHBR-UHFFFAOYSA-N 0 0 379.407 4.533 50 0 GJAARN C[C@@H]1c2ccsc2CCN1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000023909075 207283878 /nfs/dbraw/zinc/28/38/78/207283878.db2.gz OOJCVQWYSOEMTP-CYBMUJFWSA-N 0 0 393.537 4.832 50 0 GJAARN O=c1c2ccccc2sn1CN1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000023882176 207284676 /nfs/dbraw/zinc/28/46/76/207284676.db2.gz GSVCOPTWXCENET-MRXNPFEDSA-N 0 0 381.526 4.857 50 0 GJAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)CCn1ccnc1C ZINC000012304668 207287971 /nfs/dbraw/zinc/28/79/71/207287971.db2.gz UFKOJYPBAZALQT-UHFFFAOYSA-N 0 0 386.499 4.954 50 0 GJAARN COc1cccc(OC)c1-c1nc2ccc(-c3ccc4c(c3)OCO4)cc2o1 ZINC000023446330 207278355 /nfs/dbraw/zinc/27/83/55/207278355.db2.gz DQGUFJJDDOGESS-UHFFFAOYSA-N 0 0 375.380 4.908 50 0 GJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)NOCc4ccccc4)cc3)o2)c1 ZINC000025039597 207298663 /nfs/dbraw/zinc/29/86/63/207298663.db2.gz LLDINCPUCREMDV-UHFFFAOYSA-N 0 0 385.423 4.574 50 0 GJAARN OC[C@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)Cc1ccco1 ZINC000024205957 207288490 /nfs/dbraw/zinc/28/84/90/207288490.db2.gz CVFSTMALWUKXCD-ZDUSSCGKSA-N 0 0 399.903 4.868 50 0 GJAARN Cc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024353118 207290855 /nfs/dbraw/zinc/29/08/55/207290855.db2.gz SWNIDUBNUNDPTK-UHFFFAOYSA-N 0 0 381.304 4.730 50 0 GJAARN C[C@@H]1Sc2ccc(C(=O)N3CC[C@H](C)Sc4ccccc43)cc2NC1=O ZINC000024584831 207291528 /nfs/dbraw/zinc/29/15/28/207291528.db2.gz CRUVAIRCCBPSNP-STQMWFEESA-N 0 0 384.526 4.650 50 0 GJAARN Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000024482072 207292039 /nfs/dbraw/zinc/29/20/39/207292039.db2.gz CMVTXQWJVOGSTK-FQEVSTJZSA-N 0 0 387.527 4.677 50 0 GJAARN CNC(=O)c1cccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1 ZINC000024832232 207296888 /nfs/dbraw/zinc/29/68/88/207296888.db2.gz BAHYKLHMKRPXRN-UHFFFAOYSA-N 0 0 379.485 4.545 50 0 GJAARN O=C(NCCc1cccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000025842630 207307697 /nfs/dbraw/zinc/30/76/97/207307697.db2.gz FJVDNVBTAXCONJ-UHFFFAOYSA-N 0 0 399.825 4.579 50 0 GJAARN Cc1sc2nc(CN3CCOCC3)nc(Nc3cc(C)ccc3C)c2c1C ZINC000025285431 207303053 /nfs/dbraw/zinc/30/30/53/207303053.db2.gz LCZPKDBRTUALOV-UHFFFAOYSA-N 0 0 382.533 4.501 50 0 GJAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000025712354 207305301 /nfs/dbraw/zinc/30/53/01/207305301.db2.gz OLAFRNLROZEEQY-NRFANRHFSA-N 0 0 396.922 4.681 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000026686028 207317599 /nfs/dbraw/zinc/31/75/99/207317599.db2.gz MTAMROLKEKCICA-UHFFFAOYSA-N 0 0 390.270 4.808 50 0 GJAARN CCN(C(=O)c1ccc(OCc2cscn2)cc1)c1nc2ccccc2s1 ZINC000026908033 207320821 /nfs/dbraw/zinc/32/08/21/207320821.db2.gz GFWMKSALHRUKRX-UHFFFAOYSA-N 0 0 395.509 4.999 50 0 GJAARN CCOc1ccc(CN(C)C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000026528096 207314659 /nfs/dbraw/zinc/31/46/59/207314659.db2.gz YUBGPAMNKPWMDB-UHFFFAOYSA-N 0 0 378.925 4.672 50 0 GJAARN COc1ccc(OC)c(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)c1 ZINC000027604213 207329390 /nfs/dbraw/zinc/32/93/90/207329390.db2.gz GCBIATXWAGVGJG-UHFFFAOYSA-N 0 0 399.878 4.572 50 0 GJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1 ZINC000027747376 207330336 /nfs/dbraw/zinc/33/03/36/207330336.db2.gz MEBXKGMWEJCMBS-UHFFFAOYSA-N 0 0 387.233 4.755 50 0 GJAARN Cc1ccsc1CN(Cc1ccco1)C(=O)c1cc(=O)c2cc(F)ccc2o1 ZINC000027989380 207333666 /nfs/dbraw/zinc/33/36/66/207333666.db2.gz ZFPXIOQJAGXPAE-UHFFFAOYSA-N 0 0 397.427 4.738 50 0 GJAARN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000027992628 207333961 /nfs/dbraw/zinc/33/39/61/207333961.db2.gz JCUGQFBDNLVEDJ-UHFFFAOYSA-N 0 0 387.302 4.545 50 0 GJAARN O=C(c1cc2ccccc2oc1=O)N(Cc1cccc(Cl)c1)c1ccccn1 ZINC000027581965 207327600 /nfs/dbraw/zinc/32/76/00/207327600.db2.gz CVEQWLGPNSWPIH-UHFFFAOYSA-N 0 0 390.826 4.688 50 0 GJAARN COc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1 ZINC000027662332 207328099 /nfs/dbraw/zinc/32/80/99/207328099.db2.gz FNWZIQFWLJLPRP-UHFFFAOYSA-N 0 0 397.272 4.700 50 0 GJAARN COc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)cc1F ZINC000039975533 207336821 /nfs/dbraw/zinc/33/68/21/207336821.db2.gz JEMOVODDYISIFL-UHFFFAOYSA-N 0 0 386.648 4.522 50 0 GJAARN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccccn3)no2)cc1 ZINC000028251679 207337378 /nfs/dbraw/zinc/33/73/78/207337378.db2.gz HUVMJZRUTAUTQG-UHFFFAOYSA-N 0 0 385.423 4.592 50 0 GJAARN COc1cc(/C=C/C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc(OC)c1 ZINC000040071053 207337700 /nfs/dbraw/zinc/33/77/00/207337700.db2.gz AVCLLBVCUJCEMG-YYVWFHOOSA-N 0 0 377.484 4.786 50 0 GJAARN Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1 ZINC000040086184 207338204 /nfs/dbraw/zinc/33/82/04/207338204.db2.gz JWKKFTWVBAXRPV-IBGZPJMESA-N 0 0 378.516 4.534 50 0 GJAARN CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1OC(F)F ZINC000028923903 207350874 /nfs/dbraw/zinc/35/08/74/207350874.db2.gz OPPIRUWQXNXRSZ-LJQANCHMSA-N 0 0 384.382 4.672 50 0 GJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2S[C@@H]2CCCCCC2=O)cc1F ZINC000029394300 207359947 /nfs/dbraw/zinc/35/99/47/207359947.db2.gz QTZHUIUTZYYJSG-HXUWFJFHSA-N 0 0 396.487 4.827 50 0 GJAARN Cc1noc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000031111607 207380070 /nfs/dbraw/zinc/38/00/70/207380070.db2.gz YQYDQYJLLDXUJH-UHFFFAOYSA-N 0 0 391.496 4.600 50 0 GJAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(Br)cc1 ZINC000031456262 207381369 /nfs/dbraw/zinc/38/13/69/207381369.db2.gz YJPBEBAAXSVYJU-UHFFFAOYSA-N 0 0 383.245 4.675 50 0 GJAARN O=C(Nc1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)c1)C1CC1 ZINC000031749185 207384166 /nfs/dbraw/zinc/38/41/66/207384166.db2.gz XNTWLFWOKPXUFV-UHFFFAOYSA-N 0 0 396.918 4.817 50 0 GJAARN Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2cccs2)no1 ZINC000031815198 207386002 /nfs/dbraw/zinc/38/60/02/207386002.db2.gz PJMDNOQPHFPURZ-UHFFFAOYSA-N 0 0 386.433 4.621 50 0 GJAARN Cc1cc(C)c2c(n1)sc1c2ncnc1SCC(=O)N(C)c1ccccc1 ZINC000032072457 207388842 /nfs/dbraw/zinc/38/88/42/207388842.db2.gz SFUSZDAHLNJDOR-UHFFFAOYSA-N 0 0 394.525 4.611 50 0 GJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1 ZINC000032073652 207390729 /nfs/dbraw/zinc/39/07/29/207390729.db2.gz KKQYINVBNMTYLW-INIZCTEOSA-N 0 0 380.835 4.683 50 0 GJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000032087676 207391482 /nfs/dbraw/zinc/39/14/82/207391482.db2.gz HLRLDTJDQQKSKC-SECBINFHSA-N 0 0 392.221 4.540 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)cc1 ZINC000032104589 207393232 /nfs/dbraw/zinc/39/32/32/207393232.db2.gz DBOYLYCFQJCMKY-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN CCCn1nnc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)n1 ZINC000032617125 207399565 /nfs/dbraw/zinc/39/95/65/207399565.db2.gz NUNSWIGTEOAAJG-UHFFFAOYSA-N 0 0 392.290 4.581 50 0 GJAARN C[C@@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc21)c1nnc2ccccn21 ZINC000032806469 207408577 /nfs/dbraw/zinc/40/85/77/207408577.db2.gz CFENZMYOLNGLOA-GFCCVEGCSA-N 0 0 390.447 4.713 50 0 GJAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NC4CCCC4)c3)n2)c1 ZINC000033130557 207439573 /nfs/dbraw/zinc/43/95/73/207439573.db2.gz CQVYZPFJUNOOHK-UHFFFAOYSA-N 0 0 389.455 4.617 50 0 GJAARN CCc1nc(-c2cc(S(=O)(=O)NCc3ccc(C)cc3)c(C)s2)cs1 ZINC000033308439 207453015 /nfs/dbraw/zinc/45/30/15/207453015.db2.gz CMLWLUHNCNMRGD-UHFFFAOYSA-N 0 0 392.571 4.529 50 0 GJAARN CC(C)NC(=O)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898920 207478312 /nfs/dbraw/zinc/47/83/12/207478312.db2.gz HPSQYIGDEWACMG-GOSISDBHSA-N 0 0 375.472 4.544 50 0 GJAARN Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)COCc2ccccc2)c1 ZINC000034915016 207480046 /nfs/dbraw/zinc/48/00/46/207480046.db2.gz AXQBZRJXBSVHLA-UHFFFAOYSA-N 0 0 385.467 4.773 50 0 GJAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1)c2NC(=O)COCc1ccccc1 ZINC000034913300 207480191 /nfs/dbraw/zinc/48/01/91/207480191.db2.gz KYKDSDRXVYGJTC-UHFFFAOYSA-N 0 0 389.430 4.604 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000035481175 207493658 /nfs/dbraw/zinc/49/36/58/207493658.db2.gz OHOYLNIGXMBMFV-UHFFFAOYSA-N 0 0 376.641 4.541 50 0 GJAARN Cc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1Cl ZINC000035529944 207494994 /nfs/dbraw/zinc/49/49/94/207494994.db2.gz MFTYEYCZKBTERC-UHFFFAOYSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1 ZINC000035684389 207499383 /nfs/dbraw/zinc/49/93/83/207499383.db2.gz BLXOWIYZTCOQJQ-KRWDZBQOSA-N 0 0 394.862 4.992 50 0 GJAARN CCOc1cc(CN2CCCn3cccc3[C@H]2c2ccc(F)cc2)ccc1O ZINC000036347653 207522920 /nfs/dbraw/zinc/52/29/20/207522920.db2.gz ZWTNFRYUYFWFRV-HSZRJFAPSA-N 0 0 380.463 4.727 50 0 GJAARN O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036359118 207525945 /nfs/dbraw/zinc/52/59/45/207525945.db2.gz UKJNJLQBZBSYET-QFIPXVFZSA-N 0 0 388.511 4.802 50 0 GJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccccc3Cl)c12 ZINC000036613707 207532563 /nfs/dbraw/zinc/53/25/63/207532563.db2.gz SIDMQLJXLLUWIX-UHFFFAOYSA-N 0 0 395.821 4.921 50 0 GJAARN CC(C)N(Cc1csc(COc2ccccc2)n1)C(=O)Cc1ccccc1 ZINC000036114481 207513656 /nfs/dbraw/zinc/51/36/56/207513656.db2.gz OZNYPEXXYMBGTM-UHFFFAOYSA-N 0 0 380.513 4.702 50 0 GJAARN CCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccco1 ZINC000036114260 207514137 /nfs/dbraw/zinc/51/41/37/207514137.db2.gz MWWXUKFJJRSQLA-UHFFFAOYSA-N 0 0 384.501 4.984 50 0 GJAARN O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000036246443 207518097 /nfs/dbraw/zinc/51/80/97/207518097.db2.gz DBFGBRVYGYEZFS-UHFFFAOYSA-N 0 0 375.852 4.875 50 0 GJAARN O=C(CCn1ccc2c1cccc2Br)Nc1ccc2[nH]ccc2c1 ZINC000040309820 207537434 /nfs/dbraw/zinc/53/74/34/207537434.db2.gz DISIHLOKXQLXNA-UHFFFAOYSA-N 0 0 382.261 4.914 50 0 biogenic GJAARN Cc1cccc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)[C@H]2C)c1 ZINC000037523266 207545031 /nfs/dbraw/zinc/54/50/31/207545031.db2.gz LMAMRQMLLBCVRP-LJQANCHMSA-N 0 0 384.479 4.540 50 0 GJAARN CC(C)NC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1 ZINC000037600586 207548345 /nfs/dbraw/zinc/54/83/45/207548345.db2.gz ONYYERALZWITAG-UHFFFAOYSA-N 0 0 392.524 4.662 50 0 GJAARN C[C@@](O)(CNC(=O)CSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000077184168 207554920 /nfs/dbraw/zinc/55/49/20/207554920.db2.gz CAWIQFUPXVNMGX-HSZRJFAPSA-N 0 0 395.499 4.609 50 0 GJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCC(C)C)o2)cc1 ZINC000039844141 207566272 /nfs/dbraw/zinc/56/62/72/207566272.db2.gz DZFIPEOHUUFJBK-UHFFFAOYSA-N 0 0 384.501 4.859 50 0 GJAARN Cc1nc2cc(NC(=O)c3sc(Cc4ccc(F)cc4)nc3C)ccc2o1 ZINC000040088904 207575535 /nfs/dbraw/zinc/57/55/35/207575535.db2.gz SLZZKEDKURIZEI-UHFFFAOYSA-N 0 0 381.432 4.883 50 0 GJAARN C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccncc1 ZINC000040143173 207586034 /nfs/dbraw/zinc/58/60/34/207586034.db2.gz GQNPXYOWDDQGIF-ZDUSSCGKSA-N 0 0 398.260 4.522 50 0 GJAARN Cc1sc2ncnc(Sc3ccccc3C(=O)NCC(F)(F)F)c2c1C ZINC000044196146 207634525 /nfs/dbraw/zinc/63/45/25/207634525.db2.gz GTTVTWVJTOXAGV-UHFFFAOYSA-N 0 0 397.447 4.751 50 0 GJAARN C[C@H](OC[C@H](O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 ZINC000045821578 207660848 /nfs/dbraw/zinc/66/08/48/207660848.db2.gz LTBPAROLKUYQDA-KBXCAEBGSA-N 0 0 381.859 4.592 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](C(=O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057866 207670687 /nfs/dbraw/zinc/67/06/87/207670687.db2.gz ACFPGFWWFVXADO-GOSISDBHSA-N 0 0 393.874 4.760 50 0 GJAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1 ZINC000046076475 207671991 /nfs/dbraw/zinc/67/19/91/207671991.db2.gz OOOIIZOPEQDQHE-QGZVFWFLSA-N 0 0 393.464 4.684 50 0 GJAARN C[C@@H](C(=O)Nc1ccc(SCc2cccnc2)cc1)n1cnc2ccccc21 ZINC000046673346 207677230 /nfs/dbraw/zinc/67/72/30/207677230.db2.gz GLPZSXDUJSKTFP-INIZCTEOSA-N 0 0 388.496 4.923 50 0 GJAARN Cc1ccccc1SCC(=O)N[C@@H](c1nc(-c2ccccc2)no1)C(C)C ZINC000058003072 207760564 /nfs/dbraw/zinc/76/05/64/207760564.db2.gz QHHLJNHJJIIBEZ-LJQANCHMSA-N 0 0 381.501 4.651 50 0 GJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000064747583 207807157 /nfs/dbraw/zinc/80/71/57/207807157.db2.gz NGAGYWXMYVTGPQ-SFHVURJKSA-N 0 0 392.459 4.731 50 0 GJAARN Cc1ccc(NC(=O)[C@H](C)n2c(=S)[nH]nc2-c2cccs2)c(Cl)c1 ZINC000064334397 207799581 /nfs/dbraw/zinc/79/95/81/207799581.db2.gz GVLFOKPQDMUYKJ-JTQLQIEISA-N 0 0 378.910 4.831 50 0 GJAARN CCOc1ccc(-n2nnc(-c3nc(-c4cc(C)ccc4C)cs3)c2N)cc1 ZINC000064948680 207821573 /nfs/dbraw/zinc/82/15/73/207821573.db2.gz OUEHLMKUHDXYFW-UHFFFAOYSA-N 0 0 391.500 4.656 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BAILEGBPOOVZDI-UHFFFAOYSA-N 0 0 380.513 4.707 50 0 GJAARN Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c(C)c1 ZINC000002644593 208504739 /nfs/dbraw/zinc/50/47/39/208504739.db2.gz ZRKWGKIFJBRAQM-UHFFFAOYSA-N 0 0 383.451 4.563 50 0 GJAARN O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccccc1)c1ccc(Cl)cc1 ZINC000002877427 208505687 /nfs/dbraw/zinc/50/56/87/208505687.db2.gz ZCZSDKGNECAPBF-QZTJIDSGSA-N 0 0 381.950 4.722 50 0 GJAARN O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304747 208540854 /nfs/dbraw/zinc/54/08/54/208540854.db2.gz ASBUYGRNYZMUIM-ZHACJKMWSA-N 0 0 377.494 4.999 50 0 GJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@@H]1c1cccnc1 ZINC000004329800 208544216 /nfs/dbraw/zinc/54/42/16/208544216.db2.gz HMIWULUVQLDELU-SFHVURJKSA-N 0 0 387.270 4.827 50 0 GJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3cc(C)cc(C)c3)co2)n1 ZINC000004518815 208545777 /nfs/dbraw/zinc/54/57/77/208545777.db2.gz SCYFGSHSFZMGTM-UHFFFAOYSA-N 0 0 387.482 4.533 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007159075 208686349 /nfs/dbraw/zinc/68/63/49/208686349.db2.gz MLIVWBIXKBKXMJ-NCJOGADSSA-N 0 0 391.559 4.883 50 0 GJAARN CCOc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OC ZINC000005558852 208672329 /nfs/dbraw/zinc/67/23/29/208672329.db2.gz AMDBUSGDGLYTAE-UHFFFAOYSA-N 0 0 384.657 4.762 50 0 GJAARN Cc1cccc(-n2ccnc2S[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1C ZINC000008725196 208698188 /nfs/dbraw/zinc/69/81/88/208698188.db2.gz WYKWGWCFKREAAR-OAHLLOKOSA-N 0 0 376.485 4.579 50 0 GJAARN Cc1coc(-c2cccc(NC(=O)c3cnn(-c4ccccn4)c3C(C)C)c2)n1 ZINC000154711185 208701647 /nfs/dbraw/zinc/70/16/47/208701647.db2.gz JQKDBHSSIBQYFS-UHFFFAOYSA-N 0 0 387.443 4.606 50 0 GJAARN O=C(c1ccc(Br)o1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008086345 208725369 /nfs/dbraw/zinc/72/53/69/208725369.db2.gz QDXYTQDDCYBWDK-UHFFFAOYSA-N 0 0 391.290 4.672 50 0 GJAARN COc1c(Br)cc(Cl)cc1NC(=O)COc1cccc(C)c1C ZINC000012975328 208779488 /nfs/dbraw/zinc/77/94/88/208779488.db2.gz OSFRLASHSSHHKF-UHFFFAOYSA-N 0 0 398.684 4.745 50 0 GJAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)csc2n1 ZINC000011769888 208764974 /nfs/dbraw/zinc/76/49/74/208764974.db2.gz XNWGVHNDFRDHBL-UHFFFAOYSA-N 0 0 394.431 4.515 50 0 GJAARN Cc1cc(SCC(=O)NCCc2cccs2)c(C)cc1Br ZINC000017909860 208800533 /nfs/dbraw/zinc/80/05/33/208800533.db2.gz XAVLDXYZQQXFBW-UHFFFAOYSA-N 0 0 384.364 4.578 50 0 GJAARN CC(C)n1ccc(C(=O)N(CCc2c[nH]c3ccccc23)C2CCCCC2)n1 ZINC000214973460 208818287 /nfs/dbraw/zinc/81/82/87/208818287.db2.gz UHJCJWFASAVXGA-UHFFFAOYSA-N 0 0 378.520 4.963 50 0 GJAARN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O ZINC000001008450 220473262 /nfs/dbraw/zinc/47/32/62/220473262.db2.gz OGYDCJFUXPSLAM-NCUBORBFSA-N 0 0 399.468 4.876 50 0 GJAARN Cc1sc2nc(C)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1C ZINC000001340327 220487619 /nfs/dbraw/zinc/48/76/19/220487619.db2.gz VAOUJWOMKMRDCE-NSHDSACASA-N 0 0 383.542 4.686 50 0 GJAARN Cc1ccc(NC(=O)CSc2nnc(-c3csc4c3CCCC4)o2)cc1 ZINC000001405208 220495404 /nfs/dbraw/zinc/49/54/04/220495404.db2.gz UVTFAUMKCBUWQR-UHFFFAOYSA-N 0 0 385.514 4.716 50 0 GJAARN C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000026040134 208892987 /nfs/dbraw/zinc/89/29/87/208892987.db2.gz GXAJHHJLVFPCCP-LBPRGKRZSA-N 0 0 396.493 4.505 50 0 GJAARN Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 ZINC000026741439 208907879 /nfs/dbraw/zinc/90/78/79/208907879.db2.gz CNGYVULDENODEZ-FLSMSTFGSA-N 0 0 391.490 4.776 50 0 GJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccccc1F)CC2 ZINC000002201934 220508402 /nfs/dbraw/zinc/50/84/02/220508402.db2.gz RCROUZKLHAAHNC-QHCPKHFHSA-N 0 0 391.442 4.631 50 0 GJAARN COc1ccc([C@@H]2CC(c3ccco3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000241401120 533139252 /nfs/dbraw/zinc/13/92/52/533139252.db2.gz NBIBXNDEQIQEAH-IBGZPJMESA-N 0 0 377.469 4.836 50 0 GJAARN Cc1ccc(-n2ncc3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc32)cc1 ZINC000002399421 220530298 /nfs/dbraw/zinc/53/02/98/220530298.db2.gz XACCXKPCWVIRNW-UHFFFAOYSA-N 0 0 395.253 4.745 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000002365195 220525624 /nfs/dbraw/zinc/52/56/24/220525624.db2.gz IGFDAXZZMFVXPP-UHFFFAOYSA-N 0 0 397.689 4.866 50 0 GJAARN Cc1cccn2c(NC(=O)Cc3noc4ccccc34)c(-c3ccccc3)nc12 ZINC000028251774 208943610 /nfs/dbraw/zinc/94/36/10/208943610.db2.gz WJRWKHDEBLASRF-UHFFFAOYSA-N 0 0 382.423 4.632 50 0 GJAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccc(C)c(C)c3)c2NC(=O)C(C)C)cc1 ZINC000002430240 220534295 /nfs/dbraw/zinc/53/42/95/220534295.db2.gz WRSFUTMXADSCHT-UHFFFAOYSA-N 0 0 389.499 4.728 50 0 GJAARN FC(F)(F)Oc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 ZINC000002543517 220542331 /nfs/dbraw/zinc/54/23/31/220542331.db2.gz ZXDPCUGKCAYSRY-UHFFFAOYSA-N 0 0 379.407 4.596 50 0 GJAARN CCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCC2 ZINC000002765914 220562807 /nfs/dbraw/zinc/56/28/07/220562807.db2.gz LTSFNISZXGJZCS-MDZDMXLPSA-N 0 0 393.867 4.858 50 0 GJAARN C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000002711478 220554432 /nfs/dbraw/zinc/55/44/32/220554432.db2.gz NOXUAPNIHXMEEW-MRXNPFEDSA-N 0 0 396.537 4.695 50 0 GJAARN CCOc1ccccc1-c1noc(CSCC(=O)Nc2c(C)cccc2C)n1 ZINC000031419276 208986943 /nfs/dbraw/zinc/98/69/43/208986943.db2.gz XPGBATBKWNHNKB-UHFFFAOYSA-N 0 0 397.500 4.624 50 0 GJAARN C[C@](CC(=O)NC[C@H]1CCCO1)(c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000032093653 208988000 /nfs/dbraw/zinc/98/80/00/208988000.db2.gz ZZCOGOSZHFZQDJ-VQIMIIECSA-N 0 0 397.462 4.758 50 0 GJAARN O=C(Nc1ccc(C(F)(F)F)cc1)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000002725243 220556026 /nfs/dbraw/zinc/55/60/26/220556026.db2.gz CEEBZZJLKACOHS-UHFFFAOYSA-N 0 0 392.255 4.514 50 0 GJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000002849559 220573048 /nfs/dbraw/zinc/57/30/48/220573048.db2.gz NRRQFFPAPSJUSF-ZIAGYGMSSA-N 0 0 382.342 4.915 50 0 GJAARN Cc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(Cl)cc2Cl)CO1 ZINC000061997659 209000650 /nfs/dbraw/zinc/00/06/50/209000650.db2.gz RUEISSBADOGWSW-UHFFFAOYSA-N 0 0 376.239 4.760 50 0 biogenic GJAARN O=C(CSc1ccc(F)cc1)N(CCc1ccccc1)Cc1ccccn1 ZINC000061974283 209000664 /nfs/dbraw/zinc/00/06/64/209000664.db2.gz KNWBIWZLWLKJFQ-UHFFFAOYSA-N 0 0 380.488 4.584 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)Nc1nnc(-c2cccc(SC)c2)o1 ZINC000062017488 209001263 /nfs/dbraw/zinc/00/12/63/209001263.db2.gz RKNWGCTZLNIAKJ-UHFFFAOYSA-N 0 0 390.852 4.765 50 0 GJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C)(C)c1cccc(C)c1 ZINC000060184605 209001376 /nfs/dbraw/zinc/00/13/76/209001376.db2.gz PKXUKANCKKBMJU-UHFFFAOYSA-N 0 0 381.907 4.850 50 0 GJAARN Fc1ccc(F)c(NC(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000002803084 220568073 /nfs/dbraw/zinc/56/80/73/220568073.db2.gz LLZKMFFZWBUCSU-UHFFFAOYSA-N 0 0 378.835 4.672 50 0 GJAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1 ZINC000058438978 208999041 /nfs/dbraw/zinc/99/90/41/208999041.db2.gz ULCYXSYAEGWPEO-ZWKOTPCHSA-N 0 0 391.487 4.612 50 0 GJAARN O=C(Oc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O)c1ccco1 ZINC000002979475 220592024 /nfs/dbraw/zinc/59/20/24/220592024.db2.gz IMNCHAHTVKUUDQ-QOBMTOCASA-N 0 0 385.375 4.508 50 0 GJAARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccccc1-c1ccccc1 ZINC000003329864 220628455 /nfs/dbraw/zinc/62/84/55/220628455.db2.gz KAPQQNBKAUCLFJ-UHFFFAOYSA-N 0 0 393.464 4.560 50 0 GJAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 ZINC000003445120 220644729 /nfs/dbraw/zinc/64/47/29/220644729.db2.gz XSYQNCCMPJIIMD-FZMZJTMJSA-N 0 0 397.566 4.589 50 0 GJAARN O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccccc1C(F)(F)F ZINC000004167267 220689058 /nfs/dbraw/zinc/68/90/58/220689058.db2.gz PKFAEXVNUCUQEL-UHFFFAOYSA-N 0 0 395.431 4.955 50 0 GJAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(F)cc1)c1nc3ccccc3nc12 ZINC000004185795 220691833 /nfs/dbraw/zinc/69/18/33/220691833.db2.gz IFLXSOWFCLCCJF-XZOQPEGZSA-N 0 0 375.447 4.737 50 0 GJAARN CC(C)(C)CC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000004354017 220709759 /nfs/dbraw/zinc/70/97/59/220709759.db2.gz BNWFFXNDQFAQJZ-UHFFFAOYSA-N 0 0 394.427 4.789 50 0 GJAARN Cc1cccc(Cc2c(C)nc(SCc3ccc(F)c(F)c3)n(C)c2=O)c1 ZINC000004506956 220723122 /nfs/dbraw/zinc/72/31/22/220723122.db2.gz UHWJPDVWZACVRE-UHFFFAOYSA-N 0 0 386.467 4.558 50 0 GJAARN CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000004505354 220723314 /nfs/dbraw/zinc/72/33/14/220723314.db2.gz WWSARTDSAOIXKL-CYBMUJFWSA-N 0 0 392.858 4.509 50 0 GJAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000004668806 220744510 /nfs/dbraw/zinc/74/45/10/220744510.db2.gz SDYCHGBTINTAHX-UHFFFAOYSA-N 0 0 389.274 4.783 50 0 GJAARN Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)CCc3ccccc3)c2)c1 ZINC000004631108 220741262 /nfs/dbraw/zinc/74/12/62/220741262.db2.gz CFUCSPHGLLJDLQ-UHFFFAOYSA-N 0 0 393.874 4.867 50 0 GJAARN COC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000004660610 220742583 /nfs/dbraw/zinc/74/25/83/220742583.db2.gz YHWZQEASWDHXEZ-UHFFFAOYSA-N 0 0 375.449 4.785 50 0 GJAARN Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(F)cc2)cc1 ZINC000004890669 220784120 /nfs/dbraw/zinc/78/41/20/220784120.db2.gz HQEXGCFIBOEOCF-UHFFFAOYSA-N 0 0 395.503 4.978 50 0 GJAARN CCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000004842591 220773399 /nfs/dbraw/zinc/77/33/99/220773399.db2.gz XVPFHVTUFSUNPV-UHFFFAOYSA-N 0 0 375.384 4.648 50 0 GJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)no2)c1 ZINC000004880793 220782406 /nfs/dbraw/zinc/78/24/06/220782406.db2.gz PZJIWLKMJJDPMB-UHFFFAOYSA-N 0 0 378.306 4.501 50 0 GJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCCC(=O)C2)cc1 ZINC000299804382 209093725 /nfs/dbraw/zinc/09/37/25/209093725.db2.gz ZBYCIYNNGUEAMV-GMAHTHKFSA-N 0 0 376.456 4.951 50 0 GJAARN COc1ccc(N2Cc3cccc(C(=O)Nc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000004935821 220795121 /nfs/dbraw/zinc/79/51/21/220795121.db2.gz HKJLWZJIAFXUKW-UHFFFAOYSA-N 0 0 392.842 4.761 50 0 GJAARN Cc1ccc2oc(=O)c3cc(C(=O)NCCc4ccc(Cl)cc4)sc3c2c1 ZINC000004939448 220795212 /nfs/dbraw/zinc/79/52/12/220795212.db2.gz KWJRQZAOWZOWFJ-UHFFFAOYSA-N 0 0 397.883 4.942 50 0 GJAARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@@H](C)C(C)C ZINC000004975638 220802875 /nfs/dbraw/zinc/80/28/75/220802875.db2.gz ALOOIXLXIAJIJK-KRWDZBQOSA-N 0 0 390.483 4.528 50 0 GJAARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1cccc(Cl)c1 ZINC000004986873 220806935 /nfs/dbraw/zinc/80/69/35/220806935.db2.gz UVAXTIYNBAMGML-SNVBAGLBSA-N 0 0 377.828 4.648 50 0 GJAARN CNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCCC2 ZINC000005055784 220821084 /nfs/dbraw/zinc/82/10/84/220821084.db2.gz WJBPVEHLVUNMKG-UHFFFAOYSA-N 0 0 396.434 4.648 50 0 GJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000005060115 220822213 /nfs/dbraw/zinc/82/22/13/220822213.db2.gz LZRYGHWKPJYPSW-SNVBAGLBSA-N 0 0 388.183 4.874 50 0 GJAARN COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 ZINC000005094682 220829325 /nfs/dbraw/zinc/82/93/25/220829325.db2.gz OCIQOIKYQNVNEG-IZZDOVSWSA-N 0 0 396.830 4.846 50 0 GJAARN COc1cccc(/C=C/C(=O)Nc2ccc(N3CCCCCC3)cc2)c1OC ZINC000005245106 220849811 /nfs/dbraw/zinc/84/98/11/220849811.db2.gz FDHIICWALTZCGG-XNTDXEJSSA-N 0 0 380.488 4.736 50 0 GJAARN CCCCC1CCC(C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)CC1 ZINC000005484571 220876665 /nfs/dbraw/zinc/87/66/65/220876665.db2.gz SKLUHPRRXCSPRL-UHFFFAOYSA-N 0 0 387.480 4.689 50 0 GJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(C)c1 ZINC000005500465 220877451 /nfs/dbraw/zinc/87/74/51/220877451.db2.gz NTQOWUAWEFHKSE-UHFFFAOYSA-N 0 0 380.517 4.621 50 0 GJAARN CCc1ccc([C@@H](NC(=O)COc2ccccc2OC)c2cccs2)cc1 ZINC000005406129 220867629 /nfs/dbraw/zinc/86/76/29/220867629.db2.gz HLPNNHLAWJLPIK-JOCHJYFZSA-N 0 0 381.497 4.604 50 0 GJAARN O=C(CSc1ccc(Br)cc1)Nc1nc2ccccc2s1 ZINC000005635634 220888086 /nfs/dbraw/zinc/88/80/86/220888086.db2.gz YOYGJKIUQUDPMP-UHFFFAOYSA-N 0 0 379.304 4.790 50 0 GJAARN COc1cccc([C@@H](C)N(C)C(=O)c2cccc(-c3nccn3C(C)C)c2)c1 ZINC000299793715 209091687 /nfs/dbraw/zinc/09/16/87/209091687.db2.gz IGKBKQGYBAHQNV-QGZVFWFLSA-N 0 0 377.488 4.973 50 0 GJAARN C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000005862408 220904263 /nfs/dbraw/zinc/90/42/63/220904263.db2.gz ALWMYYJPJUTOMP-QGZVFWFLSA-N 0 0 383.662 4.614 50 0 GJAARN CCC(=O)N1CCc2ccc(NC(=O)c3ccccc3SC(F)F)cc2C1 ZINC000096120186 209011113 /nfs/dbraw/zinc/01/11/13/209011113.db2.gz 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/nfs/dbraw/zinc/06/39/68/221063968.db2.gz RGDZMRZDNBIJIL-UHFFFAOYSA-N 0 0 384.520 4.672 50 0 GJAARN Cc1c(C[NH2+]Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932558 221064612 /nfs/dbraw/zinc/06/46/12/221064612.db2.gz UCUMYYIROFKMEU-UHFFFAOYSA-N 0 0 376.500 4.758 50 0 GJAARN Cc1cccc(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 ZINC000008959085 221065458 /nfs/dbraw/zinc/06/54/58/221065458.db2.gz AFFRYMPQFKPGDD-UHFFFAOYSA-N 0 0 394.515 4.584 50 0 GJAARN CCCN1c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000008959636 221065551 /nfs/dbraw/zinc/06/55/51/221065551.db2.gz QASKCOBLCFNXPE-UHFFFAOYSA-N 0 0 386.879 4.754 50 0 GJAARN CC(C)CN1c2ccc(NC(=O)CCc3ccccc3)cc2OCC(C)(C)C1=O ZINC000008959061 221065841 /nfs/dbraw/zinc/06/58/41/221065841.db2.gz OFWQZMCIMOLEMU-UHFFFAOYSA-N 0 0 394.515 4.666 50 0 GJAARN Cc1ccccc1-c1nc2cc(NC(=O)COc3ccc(F)cc3)ccc2o1 ZINC000008586595 221044535 /nfs/dbraw/zinc/04/45/35/221044535.db2.gz VUVCCUZYQGAMIS-UHFFFAOYSA-N 0 0 376.387 4.960 50 0 GJAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 ZINC000008606867 221045122 /nfs/dbraw/zinc/04/51/22/221045122.db2.gz YVLKCSHDPMZLOO-CQSZACIVSA-N 0 0 381.473 4.723 50 0 GJAARN Cc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1 ZINC000008592521 221045334 /nfs/dbraw/zinc/04/53/34/221045334.db2.gz XLBMJJDZGVWJKT-UHFFFAOYSA-N 0 0 396.490 4.909 50 0 GJAARN COc1ccc(OC)c(CNc2ncnc3onc(-c4ccc(Cl)cc4)c32)c1 ZINC000008603630 221045835 /nfs/dbraw/zinc/04/58/35/221045835.db2.gz AQJNWYYYZYHFIE-UHFFFAOYSA-N 0 0 396.834 4.568 50 0 GJAARN C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cn2ccccc2n1 ZINC000008707089 221050747 /nfs/dbraw/zinc/05/07/47/221050747.db2.gz XCIMFVMKBGGLTC-KRWDZBQOSA-N 0 0 375.497 4.669 50 0 GJAARN COc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1C1CCCC1)O[C@H](C)C2 ZINC000008719575 221051631 /nfs/dbraw/zinc/05/16/31/221051631.db2.gz RLKLHAXHWYTNJE-PEBXRYMYSA-N 0 0 378.472 4.528 50 0 GJAARN COc1ccc(-n2ccnc2S[C@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000008725358 221052236 /nfs/dbraw/zinc/05/22/36/221052236.db2.gz RZYXUAMLLUOHMX-CQSZACIVSA-N 0 0 378.457 4.784 50 0 GJAARN CCC[C@H](CNC(=O)CSc1ncccn1)c1ccc(Cl)cc1Cl ZINC000008728018 221052288 /nfs/dbraw/zinc/05/22/88/221052288.db2.gz IGRZFCQFNFULKH-GFCCVEGCSA-N 0 0 384.332 4.576 50 0 GJAARN O=C(NC1CC1)[C@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 ZINC000008725243 221052811 /nfs/dbraw/zinc/05/28/11/221052811.db2.gz GLGMPAVJAQJMPY-JOCHJYFZSA-N 0 0 382.467 4.662 50 0 GJAARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CCc2ccccc2C1 ZINC000009112197 221070353 /nfs/dbraw/zinc/07/03/53/221070353.db2.gz PGNBVQNOSWIQBZ-UHFFFAOYSA-N 0 0 389.480 4.824 50 0 GJAARN COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000009289675 221076688 /nfs/dbraw/zinc/07/66/88/221076688.db2.gz JKZRLKSZKVUXOJ-UHFFFAOYSA-N 0 0 394.283 4.697 50 0 GJAARN C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-n2ccnc2)cc1 ZINC000009338152 221077784 /nfs/dbraw/zinc/07/77/84/221077784.db2.gz MRZJGMMHIQGSET-KRWDZBQOSA-N 0 0 387.439 4.535 50 0 GJAARN CCOc1ccc([C@H]2CCCN2C(=O)CSc2ncnc3sccc32)cc1 ZINC000009366353 221079542 /nfs/dbraw/zinc/07/95/42/221079542.db2.gz XMLXYQLXGNFJAK-QGZVFWFLSA-N 0 0 399.541 4.546 50 0 GJAARN CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000009513710 221082853 /nfs/dbraw/zinc/08/28/53/221082853.db2.gz LHFPSJMPZKYFQA-AOMKIAJQSA-N 0 0 376.456 4.546 50 0 GJAARN O=C(Oc1ccccc1[C@@H]1Cc2nc3ccccc3n2C(=O)C1)c1ccccc1 ZINC000009517188 221084040 /nfs/dbraw/zinc/08/40/40/221084040.db2.gz UFJSLSGPCLQKMB-QGZVFWFLSA-N 0 0 382.419 4.626 50 0 GJAARN COc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc3nccnc32)cc1 ZINC000009074443 221068899 /nfs/dbraw/zinc/06/88/99/221068899.db2.gz XFCRTHYSEDZRPL-UHFFFAOYSA-N 0 0 378.823 4.569 50 0 GJAARN COc1cccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3NC(C)=O)cs2)c1 ZINC000009052837 221069542 /nfs/dbraw/zinc/06/95/42/221069542.db2.gz WRWDTBHCYXYBIF-UHFFFAOYSA-N 0 0 395.484 4.646 50 0 GJAARN CC[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 ZINC000010423567 221102304 /nfs/dbraw/zinc/10/23/04/221102304.db2.gz ITXHZFVUUWWCRZ-QGZVFWFLSA-N 0 0 387.842 4.729 50 0 GJAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)CCC2 ZINC000010922393 221109134 /nfs/dbraw/zinc/10/91/34/221109134.db2.gz PEMUYOSVTYQAAB-UHFFFAOYSA-N 0 0 383.854 4.773 50 0 GJAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(CCCc2ccccc2)s1 ZINC000009667433 221088645 /nfs/dbraw/zinc/08/86/45/221088645.db2.gz FOAZBFNXYVTKCQ-UHFFFAOYSA-N 0 0 387.892 4.628 50 0 GJAARN COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccs3)ccc2o1 ZINC000009660069 221089016 /nfs/dbraw/zinc/08/90/16/221089016.db2.gz ZDPUHJQTYDXISB-UHFFFAOYSA-N 0 0 377.421 4.782 50 0 GJAARN Cc1c(Cl)cccc1Nc1nnc(SCC(=O)N2CCCCCC2)s1 ZINC000009908948 221094615 /nfs/dbraw/zinc/09/46/15/221094615.db2.gz WMXXCAOZEQYTBF-UHFFFAOYSA-N 0 0 396.969 4.738 50 0 GJAARN Fc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)cc1 ZINC000010213677 221098458 /nfs/dbraw/zinc/09/84/58/221098458.db2.gz XYCRFFICHAJERR-UHFFFAOYSA-N 0 0 384.846 4.752 50 0 GJAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc1 ZINC000011813026 221125809 /nfs/dbraw/zinc/12/58/09/221125809.db2.gz TVBDSSQNKIUKHR-SFHVURJKSA-N 0 0 383.875 4.586 50 0 GJAARN Cc1ccc(N[C@@H]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3)C2)cc1C ZINC000011820910 221129790 /nfs/dbraw/zinc/12/97/90/221129790.db2.gz KYVIQYVUBMTTKK-OAQYLSRUSA-N 0 0 382.479 4.509 50 0 GJAARN O=C1S/C(=C\c2cccs2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F ZINC000011896900 221134576 /nfs/dbraw/zinc/13/45/76/221134576.db2.gz CLCMNTVAMHWLJQ-YWEYNIOJSA-N 0 0 391.342 4.680 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000011082606 221111185 /nfs/dbraw/zinc/11/11/85/221111185.db2.gz NRTFQTSDYFKHCF-UHFFFAOYSA-N 0 0 398.510 4.564 50 0 GJAARN C[C@H]1CN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)C[C@H](C)O1 ZINC000011560683 221117009 /nfs/dbraw/zinc/11/70/09/221117009.db2.gz DGEAQYMWAGSDAC-HOTGVXAUSA-N 0 0 380.463 4.542 50 0 GJAARN COc1cc(OC)c(NC(=O)Cc2csc(-c3cccs3)n2)cc1Cl ZINC000011602147 221117243 /nfs/dbraw/zinc/11/72/43/221117243.db2.gz SXRFUSQNUAPZSA-UHFFFAOYSA-N 0 0 394.905 4.723 50 0 GJAARN CCn1nccc1C(=O)N(Cc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000011696006 221122191 /nfs/dbraw/zinc/12/21/91/221122191.db2.gz MXSUPZFCYZARKY-UHFFFAOYSA-N 0 0 398.438 4.638 50 0 GJAARN O=C(Nc1ccc(SCc2cccc(C(F)(F)F)c2)nn1)c1ccco1 ZINC000011739281 221123437 /nfs/dbraw/zinc/12/34/37/221123437.db2.gz NMXRYOQFNWMDPQ-UHFFFAOYSA-N 0 0 379.363 4.633 50 0 GJAARN O=C(c1cc(COc2ccccc2)on1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000011933678 221137441 /nfs/dbraw/zinc/13/74/41/221137441.db2.gz LNUSMWFELDJYEE-NRFANRHFSA-N 0 0 380.419 4.760 50 0 GJAARN CCOC(=O)c1cnc(SC)nc1NC(c1ccccc1)c1ccccc1 ZINC000012016450 221143639 /nfs/dbraw/zinc/14/36/39/221143639.db2.gz QENQJTSMCLWTGR-UHFFFAOYSA-N 0 0 379.485 4.577 50 0 GJAARN Cc1c(Cc2ccccc2)sc(NC(=O)Cc2ccc(Cl)cc2)c1C(N)=O ZINC000012137729 221157034 /nfs/dbraw/zinc/15/70/34/221157034.db2.gz HXKHOGCFHDJCMR-UHFFFAOYSA-N 0 0 398.915 4.581 50 0 GJAARN CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)sc2c1 ZINC000011915052 221136109 /nfs/dbraw/zinc/13/61/09/221136109.db2.gz UPBAOWSYEDPNDF-UHFFFAOYSA-N 0 0 395.440 4.611 50 0 GJAARN Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)c1cccc(Cl)c1F)C2 ZINC000011909953 221136653 /nfs/dbraw/zinc/13/66/53/221136653.db2.gz OXENMWUDLZUEQF-HNNXBMFYSA-N 0 0 396.849 4.583 50 0 GJAARN CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1)CC3=O ZINC000012296438 221176716 /nfs/dbraw/zinc/17/67/16/221176716.db2.gz ZLUDFHBHGTZXNQ-GOSISDBHSA-N 0 0 378.424 4.769 50 0 biogenic GJAARN CCCc1ccc2oc(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)c(C)c2c1 ZINC000012320698 221180894 /nfs/dbraw/zinc/18/08/94/221180894.db2.gz SCJRWNWUOOHICR-HXUWFJFHSA-N 0 0 392.499 4.910 50 0 GJAARN Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCc1ccncc1 ZINC000012324238 221182162 /nfs/dbraw/zinc/18/21/62/221182162.db2.gz UGXHPMUFPXHVGD-UHFFFAOYSA-N 0 0 378.284 4.750 50 0 GJAARN COc1ccccc1Oc1ncccc1CNC(=O)c1ccccc1SC ZINC000012203320 221167403 /nfs/dbraw/zinc/16/74/03/221167403.db2.gz IRCXKYLTNQORET-UHFFFAOYSA-N 0 0 380.469 4.534 50 0 GJAARN Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000012227230 221170542 /nfs/dbraw/zinc/17/05/42/221170542.db2.gz PZBANDLJYDJGPX-UHFFFAOYSA-N 0 0 375.350 4.635 50 0 GJAARN CCCOc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(C)n1 ZINC000012225580 221170842 /nfs/dbraw/zinc/17/08/42/221170842.db2.gz SSIUQBVDAJWYJQ-UHFFFAOYSA-N 0 0 380.423 4.709 50 0 GJAARN Cc1nn(C)c(Cl)c1CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012438914 221195157 /nfs/dbraw/zinc/19/51/57/221195157.db2.gz DQFUZMYTDYOVQB-IBGZPJMESA-N 0 0 397.954 4.679 50 0 GJAARN Cc1cc(C)cc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)c1 ZINC000012444157 221196971 /nfs/dbraw/zinc/19/69/71/221196971.db2.gz CVPORINWONWMKC-UHFFFAOYSA-N 0 0 396.537 4.916 50 0 GJAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O ZINC000012463082 221198740 /nfs/dbraw/zinc/19/87/40/221198740.db2.gz DQTVULXYIJFHKA-HXUWFJFHSA-N 0 0 381.479 4.914 50 0 GJAARN O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccccc1C(F)(F)F ZINC000012527024 221202905 /nfs/dbraw/zinc/20/29/05/221202905.db2.gz WCCOSPOMAZWFEQ-UHFFFAOYSA-N 0 0 395.358 4.660 50 0 GJAARN C[C@H](SCc1ccc(Cl)cc1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012576803 221208371 /nfs/dbraw/zinc/20/83/71/221208371.db2.gz OURYRBWVTLHAOE-ZDUSSCGKSA-N 0 0 388.920 4.726 50 0 GJAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012577161 221209271 /nfs/dbraw/zinc/20/92/71/221209271.db2.gz GPZHXTKRRXYQAZ-ZGKFYVQTSA-N 0 0 385.389 4.959 50 0 GJAARN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000012578579 221210075 /nfs/dbraw/zinc/21/00/75/221210075.db2.gz QJOLMYCOYWFPMQ-UHFFFAOYSA-N 0 0 382.891 4.565 50 0 GJAARN CC(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1 ZINC000012385397 221187346 /nfs/dbraw/zinc/18/73/46/221187346.db2.gz SKAQCDRFNBJJAW-QGZVFWFLSA-N 0 0 396.874 4.513 50 0 GJAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000012396341 221188606 /nfs/dbraw/zinc/18/86/06/221188606.db2.gz DQHYDVUXIBEZMR-UHFFFAOYSA-N 0 0 395.406 4.619 50 0 GJAARN N[C@H](Cc1ccccc1)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000012418162 221189515 /nfs/dbraw/zinc/18/95/15/221189515.db2.gz WCXHOKYYRNPCHX-OAHLLOKOSA-N 0 0 380.300 4.911 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3F)o2)cs1 ZINC000012619772 221215294 /nfs/dbraw/zinc/21/52/94/221215294.db2.gz FITJULOYJHXEEI-UHFFFAOYSA-N 0 0 395.253 4.543 50 0 GJAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012628663 221215458 /nfs/dbraw/zinc/21/54/58/221215458.db2.gz CSTZGBYPTVLIEZ-QGZVFWFLSA-N 0 0 394.525 4.654 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)COc3cc(C(C)C)ccc3C)o2)cs1 ZINC000012618717 221215682 /nfs/dbraw/zinc/21/56/82/221215682.db2.gz AGSSWKVEGDGCRX-UHFFFAOYSA-N 0 0 384.501 4.839 50 0 GJAARN O=C1CCC[C@@H]1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000012635453 221216516 /nfs/dbraw/zinc/21/65/16/221216516.db2.gz OMTXARYPNRKILD-SFHVURJKSA-N 0 0 383.904 4.725 50 0 GJAARN Clc1ccc(OCc2nn3c(nnc3-c3cccs3)s2)c(Cl)c1 ZINC000012653730 221217084 /nfs/dbraw/zinc/21/70/84/221217084.db2.gz FQMYNXCYYHYMOZ-UHFFFAOYSA-N 0 0 383.285 4.800 50 0 GJAARN Cc1sc2nc(CN(C)Cc3ccc(C(F)(F)F)cc3)nc(N)c2c1C ZINC000012640246 221217334 /nfs/dbraw/zinc/21/73/34/221217334.db2.gz JQQKYIYWRUXTBK-UHFFFAOYSA-N 0 0 380.439 4.541 50 0 GJAARN COc1cccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc32)c1 ZINC000012659398 221217594 /nfs/dbraw/zinc/21/75/94/221217594.db2.gz UHFWBFXTHGEZMQ-CLCOLTQESA-N 0 0 387.391 4.775 50 0 biogenic GJAARN CC(=O)c1c(C)cc(C)c(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000012697886 221218624 /nfs/dbraw/zinc/21/86/24/221218624.db2.gz HGLRDHFSKYJEOR-UHFFFAOYSA-N 0 0 380.532 4.810 50 0 GJAARN O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCC[C@@H](c2ccccc2)C1 ZINC000012709133 221220139 /nfs/dbraw/zinc/22/01/39/221220139.db2.gz CBQVFGSPKRFXGE-MRXNPFEDSA-N 0 0 398.409 4.552 50 0 GJAARN Cc1cccc(-n2cc(CN(C)Cc3ccon3)c(-c3cccc(F)c3)n2)c1 ZINC000012715026 221220635 /nfs/dbraw/zinc/22/06/35/221220635.db2.gz BGQUJWKRSVLWFF-UHFFFAOYSA-N 0 0 376.435 4.607 50 0 GJAARN CCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccc(Cl)cc1 ZINC000012589373 221211460 /nfs/dbraw/zinc/21/14/60/221211460.db2.gz HDMYCUJOLSJZIK-UHFFFAOYSA-N 0 0 392.846 4.621 50 0 GJAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)CC(C)C)C3)cc2)c1 ZINC000012590468 221211509 /nfs/dbraw/zinc/21/15/09/221211509.db2.gz NSOLNPZTHBMFJK-HXUWFJFHSA-N 0 0 394.515 4.585 50 0 GJAARN O=C(Nc1nc2ccccc2s1)c1csc(COc2ccc(F)cc2)n1 ZINC000012800604 221233601 /nfs/dbraw/zinc/23/36/01/221233601.db2.gz PZESCKLIGUTLLO-UHFFFAOYSA-N 0 0 385.445 4.723 50 0 GJAARN c1cc(-c2nc(CN3CCN(c4nc5ccccc5s4)CC3)cs2)cs1 ZINC000012798207 221233901 /nfs/dbraw/zinc/23/39/01/221233901.db2.gz ORYPVZWSCRXYHU-UHFFFAOYSA-N 0 0 398.582 4.804 50 0 GJAARN COc1ccc(CN(CC(F)(F)F)C(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000012802474 221233926 /nfs/dbraw/zinc/23/39/26/221233926.db2.gz YYYNOYSNVVBXMT-UHFFFAOYSA-N 0 0 390.405 4.700 50 0 GJAARN COC(=O)c1ccc(C)c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 ZINC000012755322 221225729 /nfs/dbraw/zinc/22/57/29/221225729.db2.gz YGAFMBIOUWRDMG-ZDUSSCGKSA-N 0 0 376.456 4.640 50 0 GJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000012759862 221227197 /nfs/dbraw/zinc/22/71/97/221227197.db2.gz FDOCYTWQAADDHM-XDHUDOTRSA-N 0 0 384.479 4.981 50 0 GJAARN COc1ccc(-c2nc(C(=O)N3CCCc4cccc(F)c43)cs2)cc1OC ZINC000012772919 221228960 /nfs/dbraw/zinc/22/89/60/221228960.db2.gz UBDUBCCQTWJQSV-UHFFFAOYSA-N 0 0 398.459 4.559 50 0 GJAARN O=C(Cn1nnc2ccccc21)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012778223 221230209 /nfs/dbraw/zinc/23/02/09/221230209.db2.gz AOJNASKQNVZFSX-UHFFFAOYSA-N 0 0 378.819 4.516 50 0 GJAARN C[C@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc21)c1cccc(Cl)c1 ZINC000012784410 221231835 /nfs/dbraw/zinc/23/18/35/221231835.db2.gz KIEWVGOSZZTDLW-HNNXBMFYSA-N 0 0 395.890 4.834 50 0 GJAARN O=C(c1cnc2ccccc2n1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000012791279 221232585 /nfs/dbraw/zinc/23/25/85/221232585.db2.gz AOSAIMOFZLZPKX-IBGZPJMESA-N 0 0 377.494 4.541 50 0 GJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012793094 221232715 /nfs/dbraw/zinc/23/27/15/221232715.db2.gz KUDWUQRXASCUMA-MAUKXSAKSA-N 0 0 396.512 4.687 50 0 GJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000012796000 221233054 /nfs/dbraw/zinc/23/30/54/221233054.db2.gz SRJXYPXTLGNAEB-OAHLLOKOSA-N 0 0 386.289 4.532 50 0 GJAARN Cc1cc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)on1 ZINC000012797587 221233447 /nfs/dbraw/zinc/23/34/47/221233447.db2.gz YJKGBHPVHINTDL-AWEZNQCLSA-N 0 0 395.846 4.952 50 0 GJAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012814019 221235831 /nfs/dbraw/zinc/23/58/31/221235831.db2.gz JBYOUWGIULMHFA-UHFFFAOYSA-N 0 0 375.350 4.542 50 0 GJAARN COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3ncsc3c2)cc1 ZINC000012819083 221235926 /nfs/dbraw/zinc/23/59/26/221235926.db2.gz OGDWEHFPEGXEAR-UHFFFAOYSA-N 0 0 380.391 4.510 50 0 GJAARN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccc(C(C)=O)cc1 ZINC000012831111 221236887 /nfs/dbraw/zinc/23/68/87/221236887.db2.gz OLHLCQXKDUZLMC-UHFFFAOYSA-N 0 0 384.439 4.573 50 0 GJAARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000012857674 221238307 /nfs/dbraw/zinc/23/83/07/221238307.db2.gz QPSPFNNYCJUDBG-UHFFFAOYSA-N 0 0 386.499 4.966 50 0 GJAARN COc1cc(OC)c(NC(=O)CN(C)Cc2ccc3ccccc3c2)cc1Cl ZINC000012856697 221238455 /nfs/dbraw/zinc/23/84/55/221238455.db2.gz JZHUINMGQRCDCS-UHFFFAOYSA-N 0 0 398.890 4.581 50 0 GJAARN O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccn1 ZINC000012873660 221239761 /nfs/dbraw/zinc/23/97/61/221239761.db2.gz AZAWERJRJLFVOX-UHFFFAOYSA-N 0 0 385.448 4.688 50 0 GJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Br)cc1F ZINC000012886808 221241288 /nfs/dbraw/zinc/24/12/88/221241288.db2.gz IJZKMPWOSVRVEY-UHFFFAOYSA-N 0 0 392.253 4.667 50 0 GJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000012880197 221241687 /nfs/dbraw/zinc/24/16/87/221241687.db2.gz DJBXNRWJGDXHDA-QGPMSJSTSA-N 0 0 387.911 4.798 50 0 GJAARN COc1cc(OC)cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000012891767 221242456 /nfs/dbraw/zinc/24/24/56/221242456.db2.gz UDNOMWSNCLHOAK-IBGZPJMESA-N 0 0 385.510 4.615 50 0 GJAARN Cc1nc2sc3c(c2c(N2CCC([C@@H](O)c4ccccc4)CC2)n1)CCCC3 ZINC000012892677 221242659 /nfs/dbraw/zinc/24/26/59/221242659.db2.gz SLVFFAQMKWGIAS-NRFANRHFSA-N 0 0 393.556 4.829 50 0 GJAARN Cc1cc(=O)oc2c(C)c(OCc3nc(-c4cccc(Cl)c4)no3)ccc12 ZINC000012931292 221247949 /nfs/dbraw/zinc/24/79/49/221247949.db2.gz NMDBDVSBWCWURQ-UHFFFAOYSA-N 0 0 382.803 4.692 50 0 GJAARN Cc1sc2nc(C)nc(S[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)c2c1C ZINC000012933109 221248181 /nfs/dbraw/zinc/24/81/81/221248181.db2.gz KCGXOGYVOQPYAQ-WDBKCZKBSA-N 0 0 377.579 4.792 50 0 GJAARN CCOc1cccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)c1 ZINC000012949558 221250424 /nfs/dbraw/zinc/25/04/24/221250424.db2.gz YQLJAUKZMHEXKH-UHFFFAOYSA-N 0 0 383.451 4.626 50 0 GJAARN COc1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OC ZINC000012975469 221251441 /nfs/dbraw/zinc/25/14/41/221251441.db2.gz DKNVPEXZJRTFIX-RMKNXTFCSA-N 0 0 380.271 4.682 50 0 GJAARN CCOc1cc2ccccc2cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000012979018 221252086 /nfs/dbraw/zinc/25/20/86/221252086.db2.gz FNFWBPIBYWDGJS-UHFFFAOYSA-N 0 0 396.874 4.603 50 0 GJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012986644 221252739 /nfs/dbraw/zinc/25/27/39/221252739.db2.gz RAPAALIZPDCBPB-UHFFFAOYSA-N 0 0 396.874 4.886 50 0 GJAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000012995126 221254384 /nfs/dbraw/zinc/25/43/84/221254384.db2.gz BQQKZIHLAIJILV-UHFFFAOYSA-N 0 0 396.516 4.558 50 0 GJAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccccc2F)CC1 ZINC000013001829 221255567 /nfs/dbraw/zinc/25/55/67/221255567.db2.gz FUFLNGZPBNNXEJ-UHFFFAOYSA-N 0 0 398.865 4.697 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000013365743 221267142 /nfs/dbraw/zinc/26/71/42/221267142.db2.gz QCOXITHGBIHAPW-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc(Cl)c1 ZINC000013049342 221259248 /nfs/dbraw/zinc/25/92/48/221259248.db2.gz HYUWSJQXPFBMBN-AWEZNQCLSA-N 0 0 397.862 4.746 50 0 GJAARN Clc1ccc2nc(CSc3nnc(-c4c[nH]c5ccccc54)o3)cn2c1 ZINC000013124378 221262086 /nfs/dbraw/zinc/26/20/86/221262086.db2.gz OUDOYXWEHBGNAM-UHFFFAOYSA-N 0 0 381.848 4.811 50 0 GJAARN CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccs1 ZINC000013142847 221262994 /nfs/dbraw/zinc/26/29/94/221262994.db2.gz RPGASFVGBMBKCI-UCNVEGJOSA-N 0 0 385.529 4.655 50 0 GJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1Cl ZINC000013281930 221263616 /nfs/dbraw/zinc/26/36/16/221263616.db2.gz KRRJGDATKRSEBA-UHFFFAOYSA-N 0 0 396.697 4.710 50 0 GJAARN COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cnc(C)s4)C3)ccc2c1 ZINC000013593278 221275976 /nfs/dbraw/zinc/27/59/76/221275976.db2.gz KQFDPMQZRUTXPA-LJQANCHMSA-N 0 0 380.513 4.708 50 0 GJAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccs1 ZINC000013370023 221268287 /nfs/dbraw/zinc/26/82/87/221268287.db2.gz BVZCFGYVYNKNCZ-CVEARBPZSA-N 0 0 384.549 4.781 50 0 biogenic GJAARN COc1ccc([C@@H]2CCCN2C(=S)Nc2cccc(Cl)c2)cc1OC ZINC000013523948 221270424 /nfs/dbraw/zinc/27/04/24/221270424.db2.gz DVVWFVPALFABMJ-INIZCTEOSA-N 0 0 376.909 4.891 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000013550796 221273519 /nfs/dbraw/zinc/27/35/19/221273519.db2.gz VDSBLSFTRLNIAM-CYBMUJFWSA-N 0 0 381.819 4.686 50 0 GJAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000013807259 221288874 /nfs/dbraw/zinc/28/88/74/221288874.db2.gz WWQLNDMYYBVNLM-IAGOWNOFSA-N 0 0 377.488 4.612 50 0 GJAARN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C2CCCC2)CO4)cc1 ZINC000013718348 221284435 /nfs/dbraw/zinc/28/44/35/221284435.db2.gz SBEJFWIFMQCTDX-UHFFFAOYSA-N 0 0 377.440 4.563 50 0 GJAARN Brc1ccccc1-c1nn2c(nnc2-c2cc3ccccc3[nH]2)s1 ZINC000013733637 221285105 /nfs/dbraw/zinc/28/51/05/221285105.db2.gz DWZAGGLMPFDEJH-UHFFFAOYSA-N 0 0 396.273 4.764 50 0 GJAARN CC(C)c1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000013733293 221285818 /nfs/dbraw/zinc/28/58/18/221285818.db2.gz PLCHCETYHZPENT-ZDUSSCGKSA-N 0 0 385.851 4.919 50 0 GJAARN CCOCN(C(=O)CSc1nc2c(cccc2C)[nH]1)c1c(C)cccc1CC ZINC000013943930 221293636 /nfs/dbraw/zinc/29/36/36/221293636.db2.gz JMBWCKLDIRXWNV-UHFFFAOYSA-N 0 0 397.544 4.861 50 0 GJAARN C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000014186562 221302453 /nfs/dbraw/zinc/30/24/53/221302453.db2.gz LRRZPRCFYAOCRK-XXAPSYRMSA-N 0 0 377.532 4.526 50 0 GJAARN CC(=O)N(c1nc(COC(=O)c2ccsc2)cs1)c1ccc(C)cc1C ZINC000014202138 221304447 /nfs/dbraw/zinc/30/44/47/221304447.db2.gz CTAUZWZVFWXNPS-UHFFFAOYSA-N 0 0 386.498 4.863 50 0 GJAARN CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000014709762 221314245 /nfs/dbraw/zinc/31/42/45/221314245.db2.gz SPPOIFLRPRFWLG-UHFFFAOYSA-N 0 0 379.435 4.541 50 0 GJAARN O=C(OCc1coc(-c2ccccc2)n1)c1csc(NCc2ccccc2)n1 ZINC000015277835 221333625 /nfs/dbraw/zinc/33/36/25/221333625.db2.gz BPCLREANXDXJPW-UHFFFAOYSA-N 0 0 391.452 4.767 50 0 GJAARN Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3ccsc3)C2=O)c1C ZINC000015412721 221336475 /nfs/dbraw/zinc/33/64/75/221336475.db2.gz GBFQESYQEPFMKR-NRFANRHFSA-N 0 0 394.471 4.625 50 0 GJAARN COc1cc(Cl)c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000015010802 221326030 /nfs/dbraw/zinc/32/60/30/221326030.db2.gz HNIQKPOYUKKKKJ-MFOYZWKCSA-N 0 0 389.860 4.594 50 0 GJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000015609126 221337473 /nfs/dbraw/zinc/33/74/73/221337473.db2.gz BUUGUSCHWJTXRH-CYBMUJFWSA-N 0 0 376.909 4.599 50 0 GJAARN O=C(COc1ccc2oc3ccccc3c2c1)NCCc1c[nH]c2ccccc12 ZINC000015615979 221337603 /nfs/dbraw/zinc/33/76/03/221337603.db2.gz AGBNKILFOLMRGW-UHFFFAOYSA-N 0 0 384.435 4.805 50 0 GJAARN CCCOc1ccccc1NC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000015610908 221337819 /nfs/dbraw/zinc/33/78/19/221337819.db2.gz RJRPAHLECFCNRH-UHFFFAOYSA-N 0 0 394.265 4.507 50 0 GJAARN COc1ccc(C)cc1-c1csc(NC(=O)c2ccc3ccccc3n2)n1 ZINC000015637315 221337827 /nfs/dbraw/zinc/33/78/27/221337827.db2.gz PPZUNBQFWXECJN-UHFFFAOYSA-N 0 0 375.453 4.928 50 0 GJAARN COc1ccc(Cl)cc1CN(C)C(=O)Cc1csc(-c2cccs2)n1 ZINC000015642211 221337958 /nfs/dbraw/zinc/33/79/58/221337958.db2.gz ZEJUNKZYALMCLH-UHFFFAOYSA-N 0 0 392.933 4.735 50 0 GJAARN Cc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1NC(=O)c1ccco1 ZINC000015561934 221338032 /nfs/dbraw/zinc/33/80/32/221338032.db2.gz KCXJPUWMUNUEIW-CQSZACIVSA-N 0 0 382.847 4.985 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)Nc1c(C)cccc1C ZINC000015681627 221340247 /nfs/dbraw/zinc/34/02/47/221340247.db2.gz SQCUTNRIXCYECE-UHFFFAOYSA-N 0 0 388.446 4.980 50 0 GJAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000015739620 221343035 /nfs/dbraw/zinc/34/30/35/221343035.db2.gz BBAWUZGWBGNMAV-UHFFFAOYSA-N 0 0 388.773 4.733 50 0 GJAARN Cc1c(C[NH2+]CCCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776833 221345137 /nfs/dbraw/zinc/34/51/37/221345137.db2.gz KOCTZJCTWVIONC-UHFFFAOYSA-N 0 0 394.490 4.713 50 0 GJAARN CCCCSc1nn(C)c2nc3c(c(=O)n12)C(CC)(CC)Cc1ccccc1-3 ZINC000015839252 221346511 /nfs/dbraw/zinc/34/65/11/221346511.db2.gz MAZLXAISPUUXNI-UHFFFAOYSA-N 0 0 396.560 4.601 50 0 GJAARN CCCCn1nc(SCC)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839064 221346589 /nfs/dbraw/zinc/34/65/89/221346589.db2.gz LTNVCKKKICOERS-QFIPXVFZSA-N 0 0 396.560 4.694 50 0 GJAARN O=C(CSc1nccn1Cc1ccccc1Cl)Nc1cccc(Cl)c1 ZINC000015825556 221346969 /nfs/dbraw/zinc/34/69/69/221346969.db2.gz DSSGXACSZIOHHO-UHFFFAOYSA-N 0 0 392.311 4.969 50 0 GJAARN CCOc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cccc(OCC)c2O3)c1O ZINC000015830885 221347223 /nfs/dbraw/zinc/34/72/23/221347223.db2.gz CLFKSPGVOIXSEO-UHFFFAOYSA-N 0 0 396.468 4.632 50 0 GJAARN COc1cccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)c1 ZINC000015840564 221347566 /nfs/dbraw/zinc/34/75/66/221347566.db2.gz UCZCNIXZKJMXMN-UHFFFAOYSA-N 0 0 398.915 4.676 50 0 GJAARN CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c2cccnc12 ZINC000015840821 221347831 /nfs/dbraw/zinc/34/78/31/221347831.db2.gz WBFWADJOFSHKNV-UHFFFAOYSA-N 0 0 378.472 4.949 50 0 GJAARN CCOc1ccc(-n2c3c(c(SCc4ccccc4C)nc2=O)CCC3)cc1 ZINC000015840512 221348267 /nfs/dbraw/zinc/34/82/67/221348267.db2.gz FBSDXJGROOUMLO-UHFFFAOYSA-N 0 0 392.524 4.721 50 0 GJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2cccs2)c1C ZINC000015862462 221350399 /nfs/dbraw/zinc/35/03/99/221350399.db2.gz KDYNXERRXZELFX-UHFFFAOYSA-N 0 0 396.512 4.712 50 0 GJAARN COCc1c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)sc2cccc(F)c21 ZINC000016104310 221356954 /nfs/dbraw/zinc/35/69/54/221356954.db2.gz WNAJOVKJJUCBML-UHFFFAOYSA-N 0 0 395.358 4.761 50 0 GJAARN COc1ccc(Br)cc1CN(C)C(=S)Nc1c(C)cccc1C ZINC000016316639 221360361 /nfs/dbraw/zinc/36/03/61/221360361.db2.gz CCWQHOMKIQMAQO-UHFFFAOYSA-N 0 0 393.350 4.903 50 0 GJAARN CCNc1nc(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc21 ZINC000016397381 221361618 /nfs/dbraw/zinc/36/16/18/221361618.db2.gz IJTFHRFSEAFPEI-UHFFFAOYSA-N 0 0 377.469 4.769 50 0 GJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000016575632 221364540 /nfs/dbraw/zinc/36/45/40/221364540.db2.gz HROZXLIQBZYXCX-UHFFFAOYSA-N 0 0 390.418 4.599 50 0 GJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCc2ccc(C(C)C)cc2)c(C)c1 ZINC000017125786 221379605 /nfs/dbraw/zinc/37/96/05/221379605.db2.gz 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/nfs/dbraw/zinc/38/31/86/221383186.db2.gz CATMPNYYRHCCIS-UHFFFAOYSA-N 0 0 386.344 4.777 50 0 GJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCC)c1 ZINC000016806366 221371105 /nfs/dbraw/zinc/37/11/05/221371105.db2.gz OGZGKUMOWFVUQQ-FQEVSTJZSA-N 0 0 377.440 4.537 50 0 GJAARN COc1ccccc1NC(=O)CCc1csc2nc(-c3ccccc3)cn12 ZINC000016848764 221372126 /nfs/dbraw/zinc/37/21/26/221372126.db2.gz GAEIWAXAYSCGJE-UHFFFAOYSA-N 0 0 377.469 4.643 50 0 GJAARN CSc1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000016833012 221372856 /nfs/dbraw/zinc/37/28/56/221372856.db2.gz YKEWJVUIUUDQIB-UHFFFAOYSA-N 0 0 382.485 4.774 50 0 GJAARN Cc1c(C(=O)O[C@@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 ZINC000017080662 221378554 /nfs/dbraw/zinc/37/85/54/221378554.db2.gz VIGRJFNSOYZCGW-AVBTWRTFSA-N 0 0 394.515 4.647 50 0 GJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000017959862 221386233 /nfs/dbraw/zinc/38/62/33/221386233.db2.gz CXKPSMMIADRNEZ-KRWDZBQOSA-N 0 0 393.508 4.557 50 0 GJAARN CCc1ccc(Nc2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)s2)cc1 ZINC000018129566 221387375 /nfs/dbraw/zinc/38/73/75/221387375.db2.gz HFBJWDVSBOFMJM-OKILXGFUSA-N 0 0 390.578 4.726 50 0 GJAARN COc1ccc(-n2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCC2)cc1 ZINC000018121872 221387519 /nfs/dbraw/zinc/38/75/19/221387519.db2.gz OFXSZXIZTOWHLK-UHFFFAOYSA-N 0 0 390.508 4.939 50 0 GJAARN O=C(Nc1ccccc1)Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1 ZINC000019855226 221460128 /nfs/dbraw/zinc/46/01/28/221460128.db2.gz YESCEFNWTQBRKS-UHFFFAOYSA-N 0 0 383.455 4.701 50 0 GJAARN CCCn1nc(C)c2c1nc(-c1ccc3c(c1)OCCO3)cc2C(F)(F)F ZINC000020605162 221503149 /nfs/dbraw/zinc/50/31/49/221503149.db2.gz VBMUMSQWCXGCTH-UHFFFAOYSA-N 0 0 377.366 4.607 50 0 GJAARN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nn1C(C)C ZINC000020616304 221504606 /nfs/dbraw/zinc/50/46/06/221504606.db2.gz HKXHDJXNLHOSAZ-UHFFFAOYSA-N 0 0 379.489 4.734 50 0 GJAARN O=C(NCc1cccs1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020730451 221510725 /nfs/dbraw/zinc/51/07/25/221510725.db2.gz 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ZINC000046078826 132426169 /nfs/dbraw/zinc/42/61/69/132426169.db2.gz LUTPMLXWGVBNEU-OAHLLOKOSA-N 0 0 384.907 4.851 50 0 GJAARN CC(C)c1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 ZINC000049547031 132438364 /nfs/dbraw/zinc/43/83/64/132438364.db2.gz SHIRDUNJXYUWGL-GOSISDBHSA-N 0 0 378.497 4.771 50 0 GJAARN O=C(C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)N1CCCCCC1 ZINC000064663721 136157359 /nfs/dbraw/zinc/15/73/59/136157359.db2.gz YGYFKAJYJLMQRW-HXUWFJFHSA-N 0 0 398.934 4.900 50 0 GJAARN CCc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 ZINC000064872507 136158013 /nfs/dbraw/zinc/15/80/13/136158013.db2.gz NBAVJDFXJBCXPG-UHFFFAOYSA-N 0 0 386.499 4.561 50 0 GJAARN CSc1cccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)c1 ZINC000064929386 136158204 /nfs/dbraw/zinc/15/82/04/136158204.db2.gz HSOJLEQKKYHXGV-UHFFFAOYSA-N 0 0 390.512 4.862 50 0 GJAARN Cc1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000065075017 136159040 /nfs/dbraw/zinc/15/90/40/136159040.db2.gz OAWWZQFLDSQCKW-AREMUKBSSA-N 0 0 398.506 4.581 50 0 GJAARN Cc1ccc(NC(=O)CSc2cc(N3CCCC[C@@H]3C)ncn2)cc1Cl ZINC000065133552 136159443 /nfs/dbraw/zinc/15/94/43/136159443.db2.gz DAGXOSKTIHDWTH-AWEZNQCLSA-N 0 0 390.940 4.548 50 0 GJAARN CC(C)c1ccc(NC(=O)CSc2cc(N3CCCC[C@H]3C)ncn2)cc1 ZINC000065133445 136159512 /nfs/dbraw/zinc/15/95/12/136159512.db2.gz QFCVHHKLUGPTQE-MRXNPFEDSA-N 0 0 384.549 4.710 50 0 GJAARN Cc1cc(F)c2c(c1)CCCN2C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000065567665 136164177 /nfs/dbraw/zinc/16/41/77/136164177.db2.gz XCGOOTUYKZEOIM-UHFFFAOYSA-N 0 0 392.261 4.611 50 0 GJAARN CC1CCN(c2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc32)CC1 ZINC000067262679 136164537 /nfs/dbraw/zinc/16/45/37/136164537.db2.gz OWMXBPQVYKNVCL-UHFFFAOYSA-N 0 0 377.879 4.834 50 0 GJAARN c1c(-c2ccccc2)sc2ncnc(NC3CCN(c4ccccn4)CC3)c12 ZINC000071811023 136166755 /nfs/dbraw/zinc/16/67/55/136166755.db2.gz XWLIMCDVTHQURV-UHFFFAOYSA-N 0 0 387.512 4.834 50 0 GJAARN Cc1sc2nc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)c2c1C ZINC000095948979 136182609 /nfs/dbraw/zinc/18/26/09/136182609.db2.gz 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ZINC000177254106 136200948 /nfs/dbraw/zinc/20/09/48/136200948.db2.gz GBVSVJFHOUMKIY-UHFFFAOYSA-N 0 0 392.267 4.551 50 0 GJAARN Cc1nc(C(=O)Nc2cccc(C(C)C)c2)nn1-c1ccc(OC(F)F)cc1 ZINC000261490624 209080095 /nfs/dbraw/zinc/08/00/95/209080095.db2.gz QAQLWTUSPRNOOT-UHFFFAOYSA-N 0 0 386.402 4.553 50 0 GJAARN Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc32)n(C[C@H]2CCCO2)c1C ZINC000021569322 221534627 /nfs/dbraw/zinc/53/46/27/221534627.db2.gz YJOWYRVKZXUJQK-HZPDHXFCSA-N 0 0 383.517 4.524 50 0 GJAARN Cc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000022416101 221559665 /nfs/dbraw/zinc/55/96/65/221559665.db2.gz LHLPITAOYMOKFE-UHFFFAOYSA-N 0 0 377.391 4.708 50 0 GJAARN CCCCc1ccc(S(=O)(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000022625462 221565007 /nfs/dbraw/zinc/56/50/07/221565007.db2.gz FLXRFYKSBJBACL-UHFFFAOYSA-N 0 0 389.536 4.812 50 0 GJAARN Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000023142452 221585216 /nfs/dbraw/zinc/58/52/16/221585216.db2.gz OSMHEJRKCIDXCX-CQSZACIVSA-N 0 0 382.287 4.573 50 0 GJAARN Cc1noc(-c2ccccc2C)c1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000023306323 221590855 /nfs/dbraw/zinc/59/08/55/221590855.db2.gz LMGPVXUYEDKNTE-SFTDATJTSA-N 0 0 390.483 4.826 50 0 GJAARN C[C@H](OC(=O)c1cccnc1Oc1ccccc1)c1nnc(-c2ccccc2)o1 ZINC000023328653 221591767 /nfs/dbraw/zinc/59/17/67/221591767.db2.gz CZYIOLILYNCXJK-HNNXBMFYSA-N 0 0 387.395 4.842 50 0 GJAARN COc1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)c(OC)c1 ZINC000032902018 221745210 /nfs/dbraw/zinc/74/52/10/221745210.db2.gz ZOKKSSGNPLLTSW-UHFFFAOYSA-N 0 0 376.334 4.523 50 0 GJAARN Cc1nc2ccccc2nc1S[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000032931652 221752949 /nfs/dbraw/zinc/75/29/49/221752949.db2.gz WKJDWBGAOANOME-LBPRGKRZSA-N 0 0 380.498 4.667 50 0 GJAARN CCCCCn1nc(C(=O)N(C)Cc2ccccc2Cl)c2ccccc2c1=O ZINC000032962327 221757880 /nfs/dbraw/zinc/75/78/80/221757880.db2.gz HSCMXZXYOGVOQM-UHFFFAOYSA-N 0 0 397.906 4.512 50 0 GJAARN CCc1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1 ZINC000032996313 221760939 /nfs/dbraw/zinc/76/09/39/221760939.db2.gz 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/nfs/dbraw/zinc/80/93/88/221809388.db2.gz SNIBQLGJMMFHIS-UHFFFAOYSA-N 0 0 396.494 4.605 50 0 GJAARN CCCn1c(=O)[nH]c2cc(-c3noc([C@@H](C)Oc4cccc(Cl)c4)n3)ccc21 ZINC000035553419 221828585 /nfs/dbraw/zinc/82/85/85/221828585.db2.gz YMIFJUDSTMAXFH-GFCCVEGCSA-N 0 0 398.850 4.583 50 0 GJAARN Cc1ccn2c(c1)nc(-c1cccc(F)c1F)c2NC(=O)c1ccccc1F ZINC000035959443 221835126 /nfs/dbraw/zinc/83/51/26/221835126.db2.gz HMMBIKHNAPSMCX-UHFFFAOYSA-N 0 0 381.357 4.979 50 0 GJAARN O=C(c1ccccc1F)N1CCC[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314432 221849338 /nfs/dbraw/zinc/84/93/38/221849338.db2.gz KGEVACNFCTYMNK-INIZCTEOSA-N 0 0 381.369 4.666 50 0 GJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000036314485 221850634 /nfs/dbraw/zinc/85/06/34/221850634.db2.gz MDSSUQAGWUIBGD-HNNXBMFYSA-N 0 0 382.262 4.954 50 0 GJAARN COc1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2F)cc1OC ZINC000036357705 221853735 /nfs/dbraw/zinc/85/37/35/221853735.db2.gz YNTMLCYHFZVFCQ-UHFFFAOYSA-N 0 0 394.402 4.691 50 0 GJAARN O=C(NCCc1ccc(F)cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000036395272 221858826 /nfs/dbraw/zinc/85/88/26/221858826.db2.gz CMVMOELLVBBSNX-MSOLQXFVSA-N 0 0 380.488 4.844 50 0 GJAARN COc1ccccc1[C@H](C)N(C)C(=O)c1cc(-c2ccco2)nc2onc(C)c21 ZINC000036742228 221866542 /nfs/dbraw/zinc/86/65/42/221866542.db2.gz ZXEHKSQJANKEGP-AWEZNQCLSA-N 0 0 391.427 4.633 50 0 GJAARN CSc1ccccc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000038904692 221886802 /nfs/dbraw/zinc/88/68/02/221886802.db2.gz ZWHDSPHRIHBRHY-UHFFFAOYSA-N 0 0 397.475 4.617 50 0 GJAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1F)c1nc2ccccc2[nH]1 ZINC000039995500 221895938 /nfs/dbraw/zinc/89/59/38/221895938.db2.gz QQMBDTQSRCRIRS-MRXNPFEDSA-N 0 0 390.256 4.592 50 0 GJAARN Cc1csc(COc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 ZINC000056907702 222026728 /nfs/dbraw/zinc/02/67/28/222026728.db2.gz IFPQXDITGNMURC-MRXNPFEDSA-N 0 0 380.513 4.782 50 0 GJAARN CC(C)OCCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 ZINC000057176062 222029656 /nfs/dbraw/zinc/02/96/56/222029656.db2.gz GCXWRWDLHKUWOQ-UHFFFAOYSA-N 0 0 397.446 4.566 50 0 GJAARN CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000057273929 222030074 /nfs/dbraw/zinc/03/00/74/222030074.db2.gz QNKLLSFLQURNAM-HSZRJFAPSA-N 0 0 392.886 4.860 50 0 GJAARN O=C(Nc1ccccc1Br)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412309 222031386 /nfs/dbraw/zinc/03/13/86/222031386.db2.gz BQPOUNSJVGPVRK-UHFFFAOYSA-N 0 0 376.641 4.745 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]2)c(OC)c1 ZINC000057412989 222032138 /nfs/dbraw/zinc/03/21/38/222032138.db2.gz OSGPWUBEARJYIS-UHFFFAOYSA-N 0 0 392.242 4.653 50 0 GJAARN c1ccc(COc2ccc(-c3noc(CN4CCc5ccccc5C4)n3)cc2)cc1 ZINC000057427749 222032533 /nfs/dbraw/zinc/03/25/33/222032533.db2.gz OTXPAGRANNURTI-UHFFFAOYSA-N 0 0 397.478 4.874 50 0 GJAARN Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000057487229 222033434 /nfs/dbraw/zinc/03/34/34/222033434.db2.gz FHRJHYVKQLFRCB-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1c(C)cccc1C ZINC000048287973 221985559 /nfs/dbraw/zinc/98/55/59/221985559.db2.gz NOFLTKLMZWFYAE-UHFFFAOYSA-N 0 0 391.515 4.533 50 0 GJAARN O=C([C@H]1CC=CCC1)N(Cc1ccc(Br)cc1)Cc1ccccn1 ZINC000048333482 221988451 /nfs/dbraw/zinc/98/84/51/221988451.db2.gz VKVBPVNFGAFEQP-KRWDZBQOSA-N 0 0 385.305 4.729 50 0 GJAARN O=C(CCC(=O)N1CCC[C@H]1c1ccc(Br)cc1)c1cccs1 ZINC000048374370 221991155 /nfs/dbraw/zinc/99/11/55/221991155.db2.gz ORTVQPNGIXLVKB-HNNXBMFYSA-N 0 0 392.318 4.837 50 0 GJAARN Cn1cccc1CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)on1 ZINC000049026679 221993756 /nfs/dbraw/zinc/99/37/56/221993756.db2.gz OCWLYCJFJJLQNA-UHFFFAOYSA-N 0 0 377.469 4.584 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)c(OC)c1 ZINC000049547482 222000278 /nfs/dbraw/zinc/00/02/78/222000278.db2.gz RDUUDWVYOZYRCZ-KRWDZBQOSA-N 0 0 397.862 4.726 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364556 222005650 /nfs/dbraw/zinc/00/56/50/222005650.db2.gz LYTOBKUUCWRZKY-INIZCTEOSA-N 0 0 378.859 4.807 50 0 GJAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(F)c1F)NC2 ZINC000055008570 222014834 /nfs/dbraw/zinc/01/48/34/222014834.db2.gz RRXBRLCQWPRPLA-QFIPXVFZSA-N 0 0 384.426 4.746 50 0 GJAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3ccccc3)cc2N1C(=O)c1ccccc1 ZINC000064990501 222093320 /nfs/dbraw/zinc/09/33/20/222093320.db2.gz RTNPZAZUUUOPNS-QGZVFWFLSA-N 0 0 385.467 4.600 50 0 GJAARN Cc1ccc(NC(=O)c2cccc(-c3cc(N4CCCC4)ncn3)c2)cc1Cl ZINC000064989529 222093823 /nfs/dbraw/zinc/09/38/23/222093823.db2.gz SZGGEQKUKSKGAF-UHFFFAOYSA-N 0 0 392.890 4.958 50 0 GJAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCCc2ccc(Cl)cc2)n1 ZINC000065009992 222094663 /nfs/dbraw/zinc/09/46/63/222094663.db2.gz WHECGXNCJQAZPE-UHFFFAOYSA-N 0 0 395.846 4.726 50 0 GJAARN CCc1ccc(NC(=O)Nc2ccc3sc(C(=O)OC)c(OC)c3c2)cc1 ZINC000065023008 222095342 /nfs/dbraw/zinc/09/53/42/222095342.db2.gz FZXPGEQSSJLTGH-UHFFFAOYSA-N 0 0 384.457 4.903 50 0 GJAARN Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCc2ccccc2Cl)n1 ZINC000065010166 222095404 /nfs/dbraw/zinc/09/54/04/222095404.db2.gz VTYLYIWNZIZVQX-UHFFFAOYSA-N 0 0 381.819 4.683 50 0 GJAARN O=C(Nc1ccc(C2(C(=O)NCc3ccccc3)CCCCC2)cc1)C1CC1 ZINC000065027392 222095431 /nfs/dbraw/zinc/09/54/31/222095431.db2.gz NTRPDSZSVWUJON-UHFFFAOYSA-N 0 0 376.500 4.553 50 0 GJAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000065058657 222097893 /nfs/dbraw/zinc/09/78/93/222097893.db2.gz SISKSQXJAWXKBI-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000065084378 222099429 /nfs/dbraw/zinc/09/94/29/222099429.db2.gz XQDPANFCAUWQOH-UHFFFAOYSA-N 0 0 386.373 4.685 50 0 GJAARN COc1ccc2oc(-c3noc(-c4ccc(C)c(NC(C)=O)c4)n3)c(C)c2c1 ZINC000065097239 222101162 /nfs/dbraw/zinc/10/11/62/222101162.db2.gz GRQDAZSHHMWDSD-UHFFFAOYSA-N 0 0 377.400 4.734 50 0 GJAARN Cc1ccc(-c2nccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 ZINC000065135486 222101934 /nfs/dbraw/zinc/10/19/34/222101934.db2.gz AOPHVZKZWVZDOD-LJQANCHMSA-N 0 0 375.447 4.611 50 0 GJAARN Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000065148174 222103000 /nfs/dbraw/zinc/10/30/00/222103000.db2.gz DLKYLYLABGIYPI-MRXNPFEDSA-N 0 0 378.501 4.610 50 0 GJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1cc(Cl)ccc1C)CC2 ZINC000065149045 222103499 /nfs/dbraw/zinc/10/34/99/222103499.db2.gz KKCVMZOJKXELBB-UHFFFAOYSA-N 0 0 397.906 4.840 50 0 GJAARN C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCC(=O)c1ccc(F)cc1F ZINC000065159268 222104449 /nfs/dbraw/zinc/10/44/49/222104449.db2.gz XBSKPUYJKULXBD-ZDUSSCGKSA-N 0 0 382.410 4.555 50 0 GJAARN CC(C)Cn1c2ncccc2nc1-c1cccc(C(=O)N[C@@H](C)c2cccnc2)c1 ZINC000065172765 222105740 /nfs/dbraw/zinc/10/57/40/222105740.db2.gz JCQXXCUANXGXMD-KRWDZBQOSA-N 0 0 399.498 4.640 50 0 GJAARN O=C(Cc1ccsc1)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1 ZINC000065195960 222108633 /nfs/dbraw/zinc/10/86/33/222108633.db2.gz OQFWGEOSYSSGCD-UHFFFAOYSA-N 0 0 399.472 4.525 50 0 GJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)Nc1ccccc1F ZINC000065194872 222109008 /nfs/dbraw/zinc/10/90/08/222109008.db2.gz VFTKZXRTPPWQJC-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN Cc1cc(Br)ccc1N(C)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000058114802 222038827 /nfs/dbraw/zinc/03/88/27/222038827.db2.gz XLNKCIRAMBMIKC-UHFFFAOYSA-N 0 0 376.269 4.981 50 0 GJAARN O=C(NCc1cccs1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058161623 222042801 /nfs/dbraw/zinc/04/28/01/222042801.db2.gz IQOCHUMXMWEUFE-UHFFFAOYSA-N 0 0 375.469 4.728 50 0 GJAARN COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccc(F)cc4)c23)cc1 ZINC000058393295 222050869 /nfs/dbraw/zinc/05/08/69/222050869.db2.gz XDQKZUKBSFGHEM-GOSISDBHSA-N 0 0 395.459 4.652 50 0 GJAARN CSc1ccc(NC(=O)[C@@H](C)n2c(=S)[nH]nc2-c2cccs2)cc1 ZINC000058426242 222052821 /nfs/dbraw/zinc/05/28/21/222052821.db2.gz LHXCUWHVHTWZJG-SNVBAGLBSA-N 0 0 376.532 4.591 50 0 GJAARN CC(C)N(Cc1ccccc1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O ZINC000059855497 222057893 /nfs/dbraw/zinc/05/78/93/222057893.db2.gz CKZNUSROXFQCDH-GOSISDBHSA-N 0 0 388.920 4.580 50 0 GJAARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1csc(C2CCCC2)n1 ZINC000060211061 222059450 /nfs/dbraw/zinc/05/94/50/222059450.db2.gz ZFDYFHBQRJSWKE-UHFFFAOYSA-N 0 0 380.300 4.866 50 0 GJAARN Cc1nn(Cc2nc(-c3ccc(NC(=O)C4CCC4)cc3)oc2C)c(C)c1C ZINC000065232423 222112734 /nfs/dbraw/zinc/11/27/34/222112734.db2.gz IYWJJDBLUMAJEO-UHFFFAOYSA-N 0 0 378.476 4.559 50 0 GJAARN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000063181237 222066066 /nfs/dbraw/zinc/06/60/66/222066066.db2.gz OMXWOXYAVPWAGV-UHFFFAOYSA-N 0 0 388.533 4.733 50 0 GJAARN O=C(/C=C/c1cccs1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000062130175 222066565 /nfs/dbraw/zinc/06/65/65/222066565.db2.gz IRSAVMSYLBNTPH-CMDGGOBGSA-N 0 0 377.513 4.564 50 0 GJAARN COc1cc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc32)cc(OC)c1 ZINC000064568366 222074854 /nfs/dbraw/zinc/07/48/54/222074854.db2.gz XNPQNMZKHYFQOL-UHFFFAOYSA-N 0 0 391.471 4.622 50 0 GJAARN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCc1cccnc1 ZINC000064657633 222076226 /nfs/dbraw/zinc/07/62/26/222076226.db2.gz RIDUXNNNAWJUPS-UHFFFAOYSA-N 0 0 381.888 4.735 50 0 GJAARN Nc1c(-c2nc(-c3ccccc3Cl)cs2)nnn1-c1cc(F)ccc1F ZINC000064664546 222078270 /nfs/dbraw/zinc/07/82/70/222078270.db2.gz RKUWKDSUPGNXAV-UHFFFAOYSA-N 0 0 389.818 4.572 50 0 GJAARN Cc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)o1 ZINC000064676086 222079008 /nfs/dbraw/zinc/07/90/08/222079008.db2.gz LEJAJHJVMJPNQB-UHFFFAOYSA-N 0 0 385.423 4.767 50 0 GJAARN CN1c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Oc2ccccc2C1=O ZINC000064677256 222079218 /nfs/dbraw/zinc/07/92/18/222079218.db2.gz UVYFEOVNMHFHLA-UHFFFAOYSA-N 0 0 392.842 4.652 50 0 GJAARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccccc1C(F)(F)F ZINC000064756459 222080881 /nfs/dbraw/zinc/08/08/81/222080881.db2.gz IQGBGSPJXGRACQ-UHFFFAOYSA-N 0 0 383.366 4.998 50 0 GJAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(C)cc3C)n2)c1 ZINC000064747484 222080899 /nfs/dbraw/zinc/08/08/99/222080899.db2.gz ZBIIFEOSKXMTGZ-LJQANCHMSA-N 0 0 392.459 4.731 50 0 GJAARN CCOc1ccccc1CNC(=O)c1sc2cc(Cl)ccc2c1OC ZINC000064756841 222080959 /nfs/dbraw/zinc/08/09/59/222080959.db2.gz UEGYWPKMTJQIQL-UHFFFAOYSA-N 0 0 375.877 4.892 50 0 GJAARN COc1ccc(-c2ccnn2-c2ccc(SCc3ccc(F)cc3)nn2)cc1 ZINC000064755465 222080982 /nfs/dbraw/zinc/08/09/82/222080982.db2.gz XCWQIYGTVICAPZ-UHFFFAOYSA-N 0 0 392.459 4.769 50 0 GJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4ccccc4Cl)c(=O)n23)cc1 ZINC000064787902 222082163 /nfs/dbraw/zinc/08/21/63/222082163.db2.gz DUPKMBCGQMOHSO-UHFFFAOYSA-N 0 0 395.871 4.637 50 0 GJAARN CN(Cc1nc2ccccc2n1Cc1c(F)cccc1Cl)C(=O)c1ccco1 ZINC000064787810 222082288 /nfs/dbraw/zinc/08/22/88/222082288.db2.gz GSGIMYNRQUSQAE-UHFFFAOYSA-N 0 0 397.837 4.742 50 0 GJAARN O=c1[nH]c2cc(-c3noc(-c4ccc(Cl)cc4)n3)ccc2n1C1CCCC1 ZINC000064891366 222086829 /nfs/dbraw/zinc/08/68/29/222086829.db2.gz PEKLGDBWSGPISJ-UHFFFAOYSA-N 0 0 380.835 4.815 50 0 GJAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1C ZINC000064969093 222091481 /nfs/dbraw/zinc/09/14/81/222091481.db2.gz KPEUEFZBHJMHKG-UHFFFAOYSA-N 0 0 399.494 4.828 50 0 GJAARN CCn1cc(-c2nc(C)c(C(=O)Nc3cccc(F)c3)s2)c2cccnc21 ZINC000065240894 222115232 /nfs/dbraw/zinc/11/52/32/222115232.db2.gz JHBDBMMKPUMYOR-UHFFFAOYSA-N 0 0 380.448 4.880 50 0 GJAARN Cc1cccc(-c2noc([C@H]3CCCN3C(=O)c3cc(F)ccc3Cl)n2)c1 ZINC000065320421 222123592 /nfs/dbraw/zinc/12/35/92/222123592.db2.gz IEZPMRMPUQFNLQ-QGZVFWFLSA-N 0 0 385.826 4.815 50 0 GJAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2c(C)nn(C)c2s1 ZINC000065474969 222132272 /nfs/dbraw/zinc/13/22/72/222132272.db2.gz GDOYVGCLAKPDNT-UHFFFAOYSA-N 0 0 383.395 4.613 50 0 GJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000067259120 222142354 /nfs/dbraw/zinc/14/23/54/222142354.db2.gz PSWVKQFYAKRFMF-UHFFFAOYSA-N 0 0 386.492 4.643 50 0 GJAARN O=c1c2cc(-c3cccc4ccccc43)nn2ccn1Cc1ccc(F)c(F)c1 ZINC000067260764 222142600 /nfs/dbraw/zinc/14/26/00/222142600.db2.gz NHEIOOVVWYVJOS-UHFFFAOYSA-N 0 0 387.389 4.643 50 0 GJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000067259198 222142764 /nfs/dbraw/zinc/14/27/64/222142764.db2.gz CNAFWNOGHZLPAR-UHFFFAOYSA-N 0 0 392.455 4.826 50 0 GJAARN COc1ccc([C@H](C)Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000067288308 222144059 /nfs/dbraw/zinc/14/40/59/222144059.db2.gz BXISLVQNTMDFJH-HNNXBMFYSA-N 0 0 393.462 4.792 50 0 GJAARN O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1 ZINC000067293300 222144263 /nfs/dbraw/zinc/14/42/63/222144263.db2.gz AOSNXBQWWXUASW-FLFQWRMESA-N 0 0 391.814 4.672 50 0 GJAARN CCn1c2ccccc2nc1-c1c(-c2ccccc2)ncn1Cc1cc(C)[nH]n1 ZINC000067458426 222146853 /nfs/dbraw/zinc/14/68/53/222146853.db2.gz DUHOAVMKSRZIFK-UHFFFAOYSA-N 0 0 382.471 4.667 50 0 GJAARN CCC[C@H]1C[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067433386 222147068 /nfs/dbraw/zinc/14/70/68/222147068.db2.gz QOFJVGVXXUEIKF-HNAYVOBHSA-N 0 0 385.891 4.870 50 0 GJAARN C[C@H](c1cccnc1)N(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000067725574 222158096 /nfs/dbraw/zinc/15/80/96/222158096.db2.gz DMEBUHOGKJMNIR-CYBMUJFWSA-N 0 0 396.903 4.944 50 0 GJAARN O=C(c1ccc(-c2ccccc2CO)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067790582 222159343 /nfs/dbraw/zinc/15/93/43/222159343.db2.gz WQHQQEWOJGFVMB-HXUWFJFHSA-N 0 0 386.495 4.651 50 0 GJAARN Cc1oc(-c2ccccc2Cl)nc1COc1ccc(N2CCOC2=O)cc1 ZINC000067867058 222163062 /nfs/dbraw/zinc/16/30/62/222163062.db2.gz GTMOOAOJJGVQLR-UHFFFAOYSA-N 0 0 384.819 4.839 50 0 GJAARN COc1ccc(F)cc1-c1c(-c2ccccc2)ncn1Cc1c(C)n[nH]c1C ZINC000067855250 222164054 /nfs/dbraw/zinc/16/40/54/222164054.db2.gz GBQHIXRVPIDSEP-UHFFFAOYSA-N 0 0 376.435 4.753 50 0 GJAARN Cc1ncsc1CCCNC(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000067880828 222164852 /nfs/dbraw/zinc/16/48/52/222164852.db2.gz QZACLQXUVFXZPH-UHFFFAOYSA-N 0 0 391.496 4.546 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)Cc1ccc(Cl)s1 ZINC000069433889 222172350 /nfs/dbraw/zinc/17/23/50/222172350.db2.gz QCOOTORJYWTNSZ-UHFFFAOYSA-N 0 0 398.290 4.960 50 0 GJAARN CCOc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1OCC ZINC000068740827 222172684 /nfs/dbraw/zinc/17/26/84/222172684.db2.gz ZCCFMJRQPRVWRA-UHFFFAOYSA-N 0 0 389.451 4.967 50 0 GJAARN O=C(c1ccccc1O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000071762382 222193616 /nfs/dbraw/zinc/19/36/16/222193616.db2.gz NEXRTVPTYOAXRP-UHFFFAOYSA-N 0 0 395.462 4.648 50 0 GJAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071760158 222194278 /nfs/dbraw/zinc/19/42/78/222194278.db2.gz SSJGGNVNTBNPBL-KRWDZBQOSA-N 0 0 377.463 4.701 50 0 GJAARN Cc1c2cc(CNC(=O)c3[nH]ncc3Cl)ccc2[nH]c1-c1ccccc1F ZINC000071764783 222195363 /nfs/dbraw/zinc/19/53/63/222195363.db2.gz UWUBYLKVAAQSSX-UHFFFAOYSA-N 0 0 382.826 4.589 50 0 GJAARN O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000071817387 222197615 /nfs/dbraw/zinc/19/76/15/222197615.db2.gz MDDSPLNXNACHSB-KBPBESRZSA-N 0 0 389.402 4.966 50 0 GJAARN COc1ccc2cc([C@@H]3CC(c4ccsc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000071924256 222200160 /nfs/dbraw/zinc/20/01/60/222200160.db2.gz TWPRVOWACHKMED-SFHVURJKSA-N 0 0 385.876 4.656 50 0 GJAARN CC(=O)c1ccc(OCCCC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)cc1 ZINC000072303713 222221260 /nfs/dbraw/zinc/22/12/60/222221260.db2.gz RHPBASXJUDVZSI-JOCHJYFZSA-N 0 0 385.479 4.571 50 0 GJAARN COCCn1ccc2c1cccc2NC(=O)CCn1ccc2cc(C)ccc21 ZINC000072324558 222227111 /nfs/dbraw/zinc/22/71/11/222227111.db2.gz DHJNRCFEWLOFKZ-UHFFFAOYSA-N 0 0 375.472 4.580 50 0 biogenic GJAARN CC(C)c1cccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000072330848 222228438 /nfs/dbraw/zinc/22/84/38/222228438.db2.gz BGORZSJTAPJCGI-UHFFFAOYSA-N 0 0 396.270 4.678 50 0 GJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000072329017 222228566 /nfs/dbraw/zinc/22/85/66/222228566.db2.gz BLAMOBZYHNEDAZ-NRFANRHFSA-N 0 0 375.472 4.673 50 0 GJAARN O=C1C[C@@H](c2cccc(Br)c2)c2cnn(Cc3cccs3)c2N1 ZINC000072405150 222254878 /nfs/dbraw/zinc/25/48/78/222254878.db2.gz LKPBQFUHZALDMO-AWEZNQCLSA-N 0 0 388.290 4.879 50 0 GJAARN CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1[C@H](C)CC ZINC000072414283 222256614 /nfs/dbraw/zinc/25/66/14/222256614.db2.gz COMPLGGHGVVASL-OAHLLOKOSA-N 0 0 384.501 4.948 50 0 GJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2Cl)C(=O)C(C)C)c1C ZINC000085711784 222325760 /nfs/dbraw/zinc/32/57/60/222325760.db2.gz AMQCBOSEEKRVAO-UHFFFAOYSA-N 0 0 390.911 4.646 50 0 GJAARN C[C@@](O)(CNC(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000077184136 222273659 /nfs/dbraw/zinc/27/36/59/222273659.db2.gz TYQBPHJBKDXVKQ-HSZRJFAPSA-N 0 0 379.887 4.573 50 0 GJAARN O=C(c1ccc(F)cc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000077171593 222273704 /nfs/dbraw/zinc/27/37/04/222273704.db2.gz GPVURWACZSALRD-MRXNPFEDSA-N 0 0 387.760 4.712 50 0 GJAARN O=C(Nc1ccc(F)cc1Br)N1CC(Cc2ccccc2Cl)C1 ZINC000079019601 222300345 /nfs/dbraw/zinc/30/03/45/222300345.db2.gz NEQJICCMVBZYLD-UHFFFAOYSA-N 0 0 397.675 4.948 50 0 GJAARN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3conc3-c3ccccc3)C2)cc1 ZINC000082109134 222308614 /nfs/dbraw/zinc/30/86/14/222308614.db2.gz GKTBCPJLRDPFAQ-GOSISDBHSA-N 0 0 376.456 4.581 50 0 GJAARN O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000095519184 222344855 /nfs/dbraw/zinc/34/48/55/222344855.db2.gz GHGQRHYWJVWHAX-OAQYLSRUSA-N 0 0 385.511 4.980 50 0 GJAARN Cc1ccc(F)c(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)c1Cl ZINC000095525607 222351230 /nfs/dbraw/zinc/35/12/30/222351230.db2.gz HZBOZVOULDRWIA-UHFFFAOYSA-N 0 0 389.902 4.804 50 0 GJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCCCCF)c2ccccc21 ZINC000095705054 222359479 /nfs/dbraw/zinc/35/94/79/222359479.db2.gz UCMFSGVIEPXYIV-UHFFFAOYSA-N 0 0 383.511 4.875 50 0 in-vitro GJAARN CNc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c32)ncn1 ZINC000095698519 222359493 /nfs/dbraw/zinc/35/94/93/222359493.db2.gz GZZUNAQJDDFJJM-UHFFFAOYSA-N 0 0 386.246 4.507 50 0 GJAARN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)C1CCC(c2ccccc2)CC1 ZINC000095963129 222365637 /nfs/dbraw/zinc/36/56/37/222365637.db2.gz JGUATIQFKBNMIC-RLWYZZJKSA-N 0 0 383.557 4.917 50 0 GJAARN O=C(Nc1ncccc1OC(F)F)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000095959722 222365674 /nfs/dbraw/zinc/36/56/74/222365674.db2.gz ZKFUSFSYNZBEAQ-UHFFFAOYSA-N 0 0 391.761 4.776 50 0 GJAARN C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000096096132 222377801 /nfs/dbraw/zinc/37/78/01/222377801.db2.gz VGNOAVMWVOGINJ-OCHBPSSRSA-N 0 0 387.361 4.646 50 0 GJAARN COc1ccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1Cl ZINC000096193811 222397238 /nfs/dbraw/zinc/39/72/38/222397238.db2.gz AYXGFXDMLYCYLM-UHFFFAOYSA-N 0 0 382.832 4.928 50 0 GJAARN Cc1nc(C(=O)NCCCCCc2nc3ccccc3n2C)c(C(C)C)s1 ZINC000096223441 222399825 /nfs/dbraw/zinc/39/98/25/222399825.db2.gz XPVPXEFUIKEFBE-UHFFFAOYSA-N 0 0 384.549 4.604 50 0 GJAARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(OC)cc2)no1 ZINC000096293284 222410827 /nfs/dbraw/zinc/41/08/27/222410827.db2.gz UZMLXKPEHXWVKV-IIBYNOLFSA-N 0 0 393.487 4.581 50 0 GJAARN Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000102576650 222482571 /nfs/dbraw/zinc/48/25/71/222482571.db2.gz FUQFLKLFXAOLKL-YJYMSZOUSA-N 0 0 380.835 4.898 50 0 GJAARN CCn1c(S[C@@H](C)c2ccc(Cl)cc2Cl)nnc1-c1cnccn1 ZINC000124365922 222524841 /nfs/dbraw/zinc/52/48/41/222524841.db2.gz LFGMWQKHTHQTIA-JTQLQIEISA-N 0 0 380.304 4.915 50 0 GJAARN Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)CCc1cccnc1 ZINC000152222881 222527952 /nfs/dbraw/zinc/52/79/52/222527952.db2.gz CRXFKALZGVVZIT-UHFFFAOYSA-N 0 0 388.446 4.654 50 0 GJAARN CSCc1cccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000040106744 533851411 /nfs/dbraw/zinc/85/14/11/533851411.db2.gz PUVAICXORNWDJN-UHFFFAOYSA-N 0 0 390.508 4.732 50 0 GJAARN CN(C)c1ccc(NC(=O)c2cccs2)cc1CN(C(=O)C(C)(C)C)C1CC1 ZINC000035944347 517913525 /nfs/dbraw/zinc/91/35/25/517913525.db2.gz POJUBIYOHWPAAS-UHFFFAOYSA-N 0 0 399.560 4.604 50 0 GJAARN CC(C)(C)N/C=C1\c2ccccc2C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000102944420 534664281 /nfs/dbraw/zinc/66/42/81/534664281.db2.gz LOARIVPGQLCECN-NTCAYCPXSA-N 0 0 388.389 4.621 50 0 GJAARN O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@H]12 ZINC000035871186 534677909 /nfs/dbraw/zinc/67/79/09/534677909.db2.gz VCQUXJSHRXOCGJ-UYAOXDASSA-N 0 0 388.433 4.553 50 0 GJAARN CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000245253773 523307340 /nfs/dbraw/zinc/30/73/40/523307340.db2.gz OYOBEWYVPOOXAW-PKAXRTKHSA-N 0 0 378.516 4.519 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C)n2)C12CCCC2 ZINC000079495415 523947280 /nfs/dbraw/zinc/94/72/80/523947280.db2.gz CIVXLHSFBZBSFR-LAUBAEHRSA-N 0 0 391.515 4.679 50 0 GJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000000812283 524439736 /nfs/dbraw/zinc/43/97/36/524439736.db2.gz NSMXRCRPALVFNO-AWEZNQCLSA-N 0 0 383.854 4.705 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)cc1 ZINC000040009511 525408405 /nfs/dbraw/zinc/40/84/05/525408405.db2.gz NZEGDYHCZUFMEU-OAHLLOKOSA-N 0 0 377.893 4.737 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3n2CC(C)C)c1C ZINC000004254669 527160057 /nfs/dbraw/zinc/16/00/57/527160057.db2.gz UBYDXJIQIIYHMF-UHFFFAOYSA-N 0 0 383.517 4.815 50 0 GJAARN CC(C)c1sc(Br)nc1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000095474933 528521703 /nfs/dbraw/zinc/52/17/03/528521703.db2.gz XATSRARNBJBKJU-UHFFFAOYSA-N 0 0 394.216 4.695 50 0 GJAARN CCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 ZINC000002984266 528648905 /nfs/dbraw/zinc/64/89/05/528648905.db2.gz HVTKMUZAYKFWLV-UHFFFAOYSA-N 0 0 383.300 4.909 50 0 GJAARN CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3C)C2)ncn1 ZINC000065242462 535193433 /nfs/dbraw/zinc/19/34/33/535193433.db2.gz SOLVCAICCXNRTM-LJQANCHMSA-N 0 0 395.551 4.551 50 0 GJAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3C)C2=O)cc1 ZINC000100344619 536664088 /nfs/dbraw/zinc/66/40/88/536664088.db2.gz ZVGJVTAPXCAXBB-RCCKNPSSSA-N 0 0 384.435 4.644 50 0 GJAARN COC(=O)c1ccc(COc2cccc3ccc(N4CCCCC4)nc32)cc1 ZINC000016917371 536707292 /nfs/dbraw/zinc/70/72/92/536707292.db2.gz IWXWQXOUFLDWRC-UHFFFAOYSA-N 0 0 376.456 4.591 50 0 GJAARN COc1ccc(C)c2c1N(C(=O)Cc1nc(-c3cccs3)oc1C)CCC2 ZINC000069418060 536787157 /nfs/dbraw/zinc/78/71/57/536787157.db2.gz NQFHEAVNIYTXIO-UHFFFAOYSA-N 0 0 382.485 4.550 50 0 GJAARN C/C(=C\CC/C(C)=C/COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O ZINC000004491420 560198487 /nfs/dbraw/zinc/19/84/87/560198487.db2.gz AEFSLEXCTRWIIO-ZCSZAFQUSA-N 0 0 398.499 4.965 50 0 biogenic,in-vitro GJAARN COc1ccc(/C=C\C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 ZINC000006090566 570210623 /nfs/dbraw/zinc/21/06/23/570210623.db2.gz GGXSPHDVRUECHW-KAMYIIQDSA-N 0 0 375.472 4.517 50 0 GJAARN Cc1nc2n(n1)[C@H](c1ccc(C)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000000633713 570212414 /nfs/dbraw/zinc/21/24/14/570212414.db2.gz JRKSVMOCRSKHBL-SFHVURJKSA-N 0 0 381.277 4.713 50 0 GJAARN COC(=O)Nc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000047711074 570214580 /nfs/dbraw/zinc/21/45/80/570214580.db2.gz CWGJNCLFGVGUCB-UHFFFAOYSA-N 0 0 379.416 4.692 50 0 GJAARN O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000047797340 570215326 /nfs/dbraw/zinc/21/53/26/570215326.db2.gz SHJHRPGWBLFZKU-UHFFFAOYSA-N 0 0 382.410 4.715 50 0 GJAARN COc1ccc2cc(-c3nc(-c4ccc(CNC(C)=O)o4)cs3)ccc2c1 ZINC000111370395 570215667 /nfs/dbraw/zinc/21/56/67/570215667.db2.gz GQVZMEVQWUKIFA-UHFFFAOYSA-N 0 0 378.453 4.868 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000048020219 570217860 /nfs/dbraw/zinc/21/78/60/570217860.db2.gz HRLJNUKUULXSQH-UHFFFAOYSA-N 0 0 383.473 4.527 50 0 GJAARN CCSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 ZINC000000684700 570217965 /nfs/dbraw/zinc/21/79/65/570217965.db2.gz VFVFLTGGLVCBEU-SFHVURJKSA-N 0 0 398.513 4.546 50 0 GJAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1Cl ZINC000004305140 570218656 /nfs/dbraw/zinc/21/86/56/570218656.db2.gz YUTULEYJOSCVLO-GOSISDBHSA-N 0 0 384.838 4.606 50 0 GJAARN CC(C)(C)NC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000000726428 570221101 /nfs/dbraw/zinc/22/11/01/570221101.db2.gz RTUJGRPSMWDIDT-UHFFFAOYSA-N 0 0 396.800 4.597 50 0 GJAARN Clc1ccc(-c2cc(-c3nnc4sc(C5CCCCC5)nn43)[nH]n2)cc1 ZINC000019827385 570223232 /nfs/dbraw/zinc/22/32/32/570223232.db2.gz JVBAXXOAUIDUIJ-UHFFFAOYSA-N 0 0 384.896 4.944 50 0 GJAARN O=C(NC1CC1)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 ZINC000006047324 570223343 /nfs/dbraw/zinc/22/33/43/570223343.db2.gz FYLAPVDPCPSVMD-UHFFFAOYSA-N 0 0 398.572 4.674 50 0 GJAARN CSc1ccc(/C=C2/SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1 ZINC000035060226 570223711 /nfs/dbraw/zinc/22/37/11/570223711.db2.gz XRCMOODFWMXBOT-RQZCQDPDSA-N 0 0 388.489 4.962 50 0 GJAARN O=C(O/C(c1ccccc1)=C1/CCCC[C@@H]1N1CCOCC1)c1ccccc1 ZINC000019897751 570228203 /nfs/dbraw/zinc/22/82/03/570228203.db2.gz FTUJSFRVSGWROP-VFJWVMJUSA-N 0 0 377.484 4.530 50 0 GJAARN CCC1CCC(N(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C2CC2)CC1 ZINC000048290333 570228751 /nfs/dbraw/zinc/22/87/51/570228751.db2.gz UKPVNZMDQTUKNZ-SCCNAQOGSA-N 0 0 397.563 4.890 50 0 GJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccnc1Cl ZINC000006053826 570229883 /nfs/dbraw/zinc/22/98/83/570229883.db2.gz FKRFRCGZGMZQBA-UHFFFAOYSA-N 0 0 381.844 4.970 50 0 GJAARN CN(Cc1cccc(Cl)c1Cl)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012814478 570230555 /nfs/dbraw/zinc/23/05/55/570230555.db2.gz OGQNMPLEXSYBDS-GOSISDBHSA-N 0 0 381.278 4.584 50 0 GJAARN Cc1cc([C@H]2CCCN2C(=O)c2sc(COc3ccc(C)cc3)nc2C)on1 ZINC000048301454 570234515 /nfs/dbraw/zinc/23/45/15/570234515.db2.gz MDVZUTUAFRCFGW-QGZVFWFLSA-N 0 0 397.500 4.613 50 0 GJAARN Cc1cc([C@@H]2CCCN2CC(=O)N(Cc2ccccc2)c2cccc(C)c2)on1 ZINC000048324633 570236009 /nfs/dbraw/zinc/23/60/09/570236009.db2.gz YTGLUNIHEVXBOQ-QFIPXVFZSA-N 0 0 389.499 4.662 50 0 GJAARN O=C(NCC1CC1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000023309862 570236984 /nfs/dbraw/zinc/23/69/84/570236984.db2.gz MWASFRYTRCSKRY-UHFFFAOYSA-N 0 0 385.389 4.902 50 0 GJAARN O=C(Nc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1)c1cccnc1 ZINC000048332056 570238885 /nfs/dbraw/zinc/23/88/85/570238885.db2.gz LMTBNLAZTRZOEW-IBGZPJMESA-N 0 0 392.484 4.764 50 0 GJAARN Cc1sc(-n2cccc2)c(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1C ZINC000006083022 570238912 /nfs/dbraw/zinc/23/89/12/570238912.db2.gz OKLNVBZPFJSFKV-UHFFFAOYSA-N 0 0 382.485 4.568 50 0 GJAARN CCN(C(C)=O)c1nc(CSc2nc(-c3ccccc3)cs2)cs1 ZINC000006085632 570239486 /nfs/dbraw/zinc/23/94/86/570239486.db2.gz PJWAQFMQUSNCOV-UHFFFAOYSA-N 0 0 375.544 4.932 50 0 GJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3ccccc3)n2)cc1 ZINC000006086141 570240293 /nfs/dbraw/zinc/24/02/93/570240293.db2.gz KRCSWKJBHNKCIU-CQSZACIVSA-N 0 0 380.469 4.557 50 0 GJAARN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000048365220 570245475 /nfs/dbraw/zinc/24/54/75/570245475.db2.gz NPIIOVKSFAVMDE-LJQANCHMSA-N 0 0 388.305 4.754 50 0 GJAARN COc1ccc(/C=C(/C(=O)Nc2ccc(OC)cc2OC)c2ccccc2)cc1 ZINC000001145889 570248447 /nfs/dbraw/zinc/24/84/47/570248447.db2.gz ZCDIROGTCPRWCI-RCCKNPSSSA-N 0 0 389.451 4.892 50 0 GJAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1 ZINC000001164345 570252391 /nfs/dbraw/zinc/25/23/91/570252391.db2.gz KRMCMSNHCLZQFO-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1OC ZINC000001175919 570254068 /nfs/dbraw/zinc/25/40/68/570254068.db2.gz OVFXYOPUYJXBJT-UHFFFAOYSA-N 0 0 399.450 4.809 50 0 GJAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000001181794 570255432 /nfs/dbraw/zinc/25/54/32/570255432.db2.gz NCTJQPIHRRTYBY-PKNBQFBNSA-N 0 0 389.436 4.614 50 0 GJAARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000001182511 570255859 /nfs/dbraw/zinc/25/58/59/570255859.db2.gz XADCXRNAFUCPSM-OAQYLSRUSA-N 0 0 377.488 4.693 50 0 GJAARN CC1CCN(C(=S)SCC(=O)n2c3ccccc3c3c2CCCC3)CC1 ZINC000001183065 570255862 /nfs/dbraw/zinc/25/58/62/570255862.db2.gz VNGFAEUVOOTSMI-UHFFFAOYSA-N 0 0 386.586 4.910 50 0 GJAARN Cc1ccc(NC(=O)CSc2ccc(N3CCCCCC3)nn2)cc1Cl ZINC000049001661 570255966 /nfs/dbraw/zinc/25/59/66/570255966.db2.gz NZYDXPGRVIJZSO-UHFFFAOYSA-N 0 0 390.940 4.550 50 0 GJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(F)c4)c3N)n2)c(C)c1 ZINC000049001867 570256117 /nfs/dbraw/zinc/25/61/17/570256117.db2.gz FVWNEEAQLYQLGK-UHFFFAOYSA-N 0 0 379.464 4.704 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2cc(F)cc(F)c2)n1 ZINC000049005316 570257105 /nfs/dbraw/zinc/25/71/05/570257105.db2.gz UKSUWWNAYYCMKN-AWEZNQCLSA-N 0 0 396.441 4.975 50 0 GJAARN Cc1nc(SCC(=O)Nc2cccc(Cl)c2C)cc(-c2ccccn2)n1 ZINC000049007156 570258411 /nfs/dbraw/zinc/25/84/11/570258411.db2.gz 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ZINC000248625392 570267123 /nfs/dbraw/zinc/26/71/23/570267123.db2.gz PETRTMUPNFJLGM-YCPHGPKFSA-N 0 0 375.563 4.522 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1SCc1noc(C)n1 ZINC000012861126 570267958 /nfs/dbraw/zinc/26/79/58/570267958.db2.gz KWNPLLQPDNTUGG-UHFFFAOYSA-N 0 0 389.864 4.585 50 0 GJAARN COc1ccc(C(=O)N2CCC(n3nc(C(C)C)cc3C(C)C)CC2)c(OC)c1 ZINC000022629583 570268237 /nfs/dbraw/zinc/26/82/37/570268237.db2.gz FOJJOVHCSZSPHO-UHFFFAOYSA-N 0 0 399.535 4.624 50 0 GJAARN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3C)c1OCc1cccc(Cl)c1 ZINC000049543964 570268798 /nfs/dbraw/zinc/26/87/98/570268798.db2.gz XPZAOMITZHRFGM-INIZCTEOSA-N 0 0 397.862 4.785 50 0 GJAARN CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000049548985 570269446 /nfs/dbraw/zinc/26/94/46/570269446.db2.gz WDIIJXDGAYJCAB-UHFFFAOYSA-N 0 0 375.523 4.504 50 0 GJAARN O=C(N[C@H](OCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1 ZINC000000825893 570270222 /nfs/dbraw/zinc/27/02/22/570270222.db2.gz JVMFFBBKEIOLTK-OAHLLOKOSA-N 0 0 388.678 4.826 50 0 GJAARN CCCC(CCC)NC(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(C)C)cc1 ZINC000022632647 570271950 /nfs/dbraw/zinc/27/19/50/570271950.db2.gz ZFQCKYZHULGUOR-UHFFFAOYSA-N 0 0 399.535 4.871 50 0 GJAARN CCn1cc(-c2cc(C(F)F)c3c(C)nn(Cc4ccc(C)cc4)c3n2)cn1 ZINC000020615074 570272406 /nfs/dbraw/zinc/27/24/06/570272406.db2.gz RJJYIWGSJJSDCI-UHFFFAOYSA-N 0 0 381.430 4.917 50 0 GJAARN O=C(c1cc2cc(Cl)ccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020623811 570273200 /nfs/dbraw/zinc/27/32/00/570273200.db2.gz QKNLFQHVDMSKIX-QPJJXVBHSA-N 0 0 380.875 4.557 50 0 GJAARN Cc1cc(Cl)ccc1N1C(=O)C[C@H](Cc2ccc(Br)cc2)C1=O ZINC000100561388 570273257 /nfs/dbraw/zinc/27/32/57/570273257.db2.gz QQMLDIPMRMTFCX-ZDUSSCGKSA-N 0 0 392.680 4.533 50 0 GJAARN CCCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1ccncc1 ZINC000002101682 570274769 /nfs/dbraw/zinc/27/47/69/570274769.db2.gz CKHQRLYXVRNRSZ-UHFFFAOYSA-N 0 0 380.469 4.938 50 0 GJAARN CCCCCCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 ZINC000002104624 570274904 /nfs/dbraw/zinc/27/49/04/570274904.db2.gz 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/nfs/dbraw/zinc/28/22/27/570282227.db2.gz UIOFZVYOJVGNKB-GOSFSIBNSA-N 0 0 392.337 4.937 50 0 GJAARN CC(=O)N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000002322989 570282485 /nfs/dbraw/zinc/28/24/85/570282485.db2.gz CNYNKHLPLRDOFL-VIFPVBQESA-N 0 0 384.012 4.603 50 0 GJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000043192527 570282656 /nfs/dbraw/zinc/28/26/56/570282656.db2.gz CRBLBJFFXHJERW-UHFFFAOYSA-N 0 0 378.350 4.612 50 0 GJAARN CCn1c(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)nc2ccccc21 ZINC000020869569 570283091 /nfs/dbraw/zinc/28/30/91/570283091.db2.gz SEQHGUCCQYAZIW-SFHVURJKSA-N 0 0 393.556 4.873 50 0 GJAARN Cc1cccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3C)c1 ZINC000020935147 570285324 /nfs/dbraw/zinc/28/53/24/570285324.db2.gz XZBMJLHBKFLXPX-UHFFFAOYSA-N 0 0 378.867 4.681 50 0 GJAARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)cc1F ZINC000002385533 570285346 /nfs/dbraw/zinc/28/53/46/570285346.db2.gz VNAJGEBUNBYYPY-UHFFFAOYSA-N 0 0 387.505 4.748 50 0 GJAARN Cc1sc2nc(SCc3cccc(C(F)(F)F)c3)n(C)c(=O)c2c1C ZINC000002415091 570286273 /nfs/dbraw/zinc/28/62/73/570286273.db2.gz HADDQGJHDAWJJY-UHFFFAOYSA-N 0 0 384.448 4.923 50 0 GJAARN CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)C(=S)N1C ZINC000000661299 570287206 /nfs/dbraw/zinc/28/72/06/570287206.db2.gz LTYJVKALCBQSGY-HMMYKYKNSA-N 0 0 388.492 4.843 50 0 GJAARN CCc1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000014076889 570287330 /nfs/dbraw/zinc/28/73/30/570287330.db2.gz PAUKOZAVNVZNPV-UHFFFAOYSA-N 0 0 389.377 4.889 50 0 GJAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O ZINC000002442031 570287358 /nfs/dbraw/zinc/28/73/58/570287358.db2.gz KWECUZYQEFHBJX-INIZCTEOSA-N 0 0 381.907 4.852 50 0 GJAARN Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)cc1 ZINC000021037836 570287536 /nfs/dbraw/zinc/28/75/36/570287536.db2.gz DHIYLPSYPKPDSD-FQEVSTJZSA-N 0 0 387.414 4.704 50 0 GJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccccc1 ZINC000021037788 570287619 /nfs/dbraw/zinc/28/76/19/570287619.db2.gz XZUOCILPGURSEG-LJQANCHMSA-N 0 0 389.842 4.909 50 0 GJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c12 ZINC000012900989 570288326 /nfs/dbraw/zinc/28/83/26/570288326.db2.gz ZNXTVEXHJVHXIX-ZDUSSCGKSA-N 0 0 375.403 4.828 50 0 GJAARN Cc1c(C)c([C@@H](C)c2[nH]c(C(=O)OCc3ccccc3)c(C)c2C)[nH]c1C=O ZINC000002519671 570289562 /nfs/dbraw/zinc/28/95/62/570289562.db2.gz DEXBNZVJKOQGKH-QGZVFWFLSA-N 0 0 378.472 4.898 50 0 GJAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)NCc1ccccc1 ZINC000043220801 570289612 /nfs/dbraw/zinc/28/96/12/570289612.db2.gz SNTVNEKHCUSRFH-UHFFFAOYSA-N 0 0 386.904 4.922 50 0 GJAARN COc1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 ZINC000010747629 570290314 /nfs/dbraw/zinc/29/03/14/570290314.db2.gz VDXYSKQWVKPCJP-UHFFFAOYSA-N 0 0 380.425 4.826 50 0 GJAARN CC(C)(C)OC(=O)n1cc(Br)c2cc(Br)ccc21 ZINC000002563776 570290885 /nfs/dbraw/zinc/29/08/85/570290885.db2.gz HCFNOIFCTOOXMY-UHFFFAOYSA-N 0 0 375.060 4.950 50 0 GJAARN Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)o1 ZINC000021524391 570292015 /nfs/dbraw/zinc/29/20/15/570292015.db2.gz NCXQVHOFBBTZQK-INIZCTEOSA-N 0 0 384.863 4.946 50 0 GJAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccc(F)cc1F ZINC000021533433 570292060 /nfs/dbraw/zinc/29/20/60/570292060.db2.gz BFZUFENGDMOHGG-UHFFFAOYSA-N 0 0 393.846 4.843 50 0 GJAARN O=C(c1cc(-c2ccccc2)on1)N(Cc1ccco1)Cc1cccc(F)c1 ZINC000021524141 570292085 /nfs/dbraw/zinc/29/20/85/570292085.db2.gz GMBZANOORKTUDX-UHFFFAOYSA-N 0 0 376.387 4.916 50 0 GJAARN CN(Cc1ccc(Cl)s1)Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000021579273 570292813 /nfs/dbraw/zinc/29/28/13/570292813.db2.gz QHNDTNADRMGBJE-UHFFFAOYSA-N 0 0 398.713 4.846 50 0 GJAARN Cc1sc2ncnc(SC[C@@H](O)COCc3ccc(Cl)cc3)c2c1C ZINC000215876258 570292949 /nfs/dbraw/zinc/29/29/49/570292949.db2.gz SYAZWFCNBZLCMU-HNNXBMFYSA-N 0 0 394.949 4.631 50 0 GJAARN C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000010768491 570293453 /nfs/dbraw/zinc/29/34/53/570293453.db2.gz NKYOKHDDFOBAIU-NSHDSACASA-N 0 0 392.286 4.781 50 0 GJAARN 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COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)NCc2ccccc2)cc1 ZINC000034915090 570344384 /nfs/dbraw/zinc/34/43/84/570344384.db2.gz GPPUZGJPFVQGBN-UHFFFAOYSA-N 0 0 386.455 4.640 50 0 GJAARN Cc1ccccc1-c1noc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 ZINC000035375857 570345569 /nfs/dbraw/zinc/34/55/69/570345569.db2.gz XFLSJDBUSFESFO-UHFFFAOYSA-N 0 0 386.455 4.546 50 0 GJAARN Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)c1 ZINC000035375258 570345790 /nfs/dbraw/zinc/34/57/90/570345790.db2.gz DYOGKUFCKORNAV-UHFFFAOYSA-N 0 0 380.473 4.585 50 0 GJAARN O=C(COCc1ccccc1)Nc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000034912533 570346340 /nfs/dbraw/zinc/34/63/40/570346340.db2.gz HFAQRIQVVSXLEH-UHFFFAOYSA-N 0 0 391.858 4.810 50 0 GJAARN O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc(F)c(F)cc1Cl ZINC000004847059 570346363 /nfs/dbraw/zinc/34/63/63/570346363.db2.gz ZIFSPJAIOFSNLD-UHFFFAOYSA-N 0 0 390.769 4.570 50 0 GJAARN COc1ccccc1-c1nc2cc(C)ccn2c1NC(=O)/C=C/c1ccccc1 ZINC000034912686 570346451 /nfs/dbraw/zinc/34/64/51/570346451.db2.gz ODYOKGBPEJLSGH-OUKQBFOZSA-N 0 0 383.451 4.970 50 0 GJAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)c1cccc(F)c1 ZINC000034912711 570346554 /nfs/dbraw/zinc/34/65/54/570346554.db2.gz RGJQHQUNFCJRIG-UHFFFAOYSA-N 0 0 375.403 4.710 50 0 GJAARN O=C1S/C(=C/c2ccc(Br)o2)C(=O)N1c1cccc(Cl)c1 ZINC000006240941 570347892 /nfs/dbraw/zinc/34/78/92/570347892.db2.gz OJGLFKHPHRONMN-YRNVUSSQSA-N 0 0 384.638 4.936 50 0 GJAARN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1c2cccc3cccc(c23)C1=O ZINC000003612626 570348901 /nfs/dbraw/zinc/34/89/01/570348901.db2.gz BETSPDZGAGTDGB-GFCCVEGCSA-N 0 0 384.357 4.846 50 0 GJAARN CC(C)(C)NC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O ZINC000003615993 570348926 /nfs/dbraw/zinc/34/89/26/570348926.db2.gz CPFUEANGYZBIQQ-OAHLLOKOSA-N 0 0 376.294 4.591 50 0 GJAARN CN(C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000008036926 570349988 /nfs/dbraw/zinc/34/99/88/570349988.db2.gz KCALRMFIZHUFKI-UHFFFAOYSA-N 0 0 387.483 4.747 50 0 GJAARN Cn1cc([C@H](CC(=O)NCc2ccco2)c2ccc(F)cc2)c2ccccc21 ZINC000006257294 570350324 /nfs/dbraw/zinc/35/03/24/570350324.db2.gz MHASEQMBPGGREA-HXUWFJFHSA-N 0 0 376.431 4.749 50 0 GJAARN COC(=O)c1c(NC(=O)/C=C\c2ccc(OC)cc2)sc2c1CCCCCC2 ZINC000033449119 570350552 /nfs/dbraw/zinc/35/05/52/570350552.db2.gz IANBCBGMGLMSSI-KAMYIIQDSA-N 0 0 399.512 4.854 50 0 GJAARN Cc1ccccc1Cn1c2ccccc2c2ncn(Cc3ccc(F)cc3)c(=O)c21 ZINC000035400215 570350909 /nfs/dbraw/zinc/35/09/09/570350909.db2.gz ZUVUJGAHVKRUTR-UHFFFAOYSA-N 0 0 397.453 4.895 50 0 GJAARN CC(C)(C)c1nc2c(o1)c(N1C(=O)C3=C(CCCC3)C1=O)c(F)cc2Cl ZINC000006262771 570352583 /nfs/dbraw/zinc/35/25/83/570352583.db2.gz KWOFEKRVMIVQHB-UHFFFAOYSA-N 0 0 376.815 4.662 50 0 GJAARN CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004872518 570352620 /nfs/dbraw/zinc/35/26/20/570352620.db2.gz DBHFERLVTUHYMQ-QGZVFWFLSA-N 0 0 384.442 4.755 50 0 GJAARN COc1ccc(-c2noc(C3CCN(C(=O)C[C@H](C)CC(C)(C)C)CC3)n2)cc1 ZINC000004872898 570352724 /nfs/dbraw/zinc/35/27/24/570352724.db2.gz YXVYKYGFPLHARP-INIZCTEOSA-N 0 0 399.535 4.914 50 0 GJAARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC(C)C)cc1 ZINC000006265377 570353566 /nfs/dbraw/zinc/35/35/66/570353566.db2.gz LDAJRIAODYMKGN-UGSOOPFHSA-N 0 0 389.521 4.749 50 0 GJAARN Cc1nc(SCC(=O)N(C2=CCCCC2)C2CC2)[nH]c1Cc1ccccc1 ZINC000023274244 570353724 /nfs/dbraw/zinc/35/37/24/570353724.db2.gz DMAVLCMPLDYPST-UHFFFAOYSA-N 0 0 381.545 4.850 50 0 GJAARN CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C)c2)no1 ZINC000004879054 570353774 /nfs/dbraw/zinc/35/37/74/570353774.db2.gz FDGCWRMZFCBTGC-GOSISDBHSA-N 0 0 392.459 4.813 50 0 GJAARN CCc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccc(OC)cc2)no1 ZINC000035319249 570355199 /nfs/dbraw/zinc/35/51/99/570355199.db2.gz LMSRFYAIOJMWDI-LJQANCHMSA-N 0 0 392.459 4.677 50 0 GJAARN Cc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)cc1 ZINC000004885670 570355244 /nfs/dbraw/zinc/35/52/44/570355244.db2.gz ZMCGGSZJOJJXHU-UHFFFAOYSA-N 0 0 379.423 4.561 50 0 GJAARN CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 ZINC000006271659 570356711 /nfs/dbraw/zinc/35/67/11/570356711.db2.gz MFPFZACYPJRBHR-UHFFFAOYSA-N 0 0 385.514 4.602 50 0 GJAARN Cc1cccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(F)cc2)c1 ZINC000004890710 570357463 /nfs/dbraw/zinc/35/74/63/570357463.db2.gz PYDBFMVMRZRIHD-UHFFFAOYSA-N 0 0 395.503 4.978 50 0 GJAARN COc1cccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1 ZINC000035429753 570357501 /nfs/dbraw/zinc/35/75/01/570357501.db2.gz UQANCDPGMLLSDH-UHFFFAOYSA-N 0 0 398.466 4.620 50 0 GJAARN Cc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1 ZINC000004118938 570358121 /nfs/dbraw/zinc/35/81/21/570358121.db2.gz YIDDHVXSPBHXFX-UHFFFAOYSA-N 0 0 398.875 4.862 50 0 aggregator GJAARN CCCCCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000004178477 570361144 /nfs/dbraw/zinc/36/11/44/570361144.db2.gz XAOUZHPXAKVFQM-UHFFFAOYSA-N 0 0 381.516 4.734 50 0 GJAARN Cc1ccc(N2CCN(C(=O)c3cc4cc5ccc(C)cc5nc4o3)C[C@H]2C)cc1 ZINC000004906318 570362404 /nfs/dbraw/zinc/36/24/04/570362404.db2.gz NJWIURRXBGJOMF-GOSISDBHSA-N 0 0 399.494 4.949 50 0 GJAARN C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000006291732 570363750 /nfs/dbraw/zinc/36/37/50/570363750.db2.gz XNKRFTQULKFUMR-HNNXBMFYSA-N 0 0 386.407 4.633 50 0 GJAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000008239148 570364690 /nfs/dbraw/zinc/36/46/90/570364690.db2.gz ZMRFNNXFXCWNIF-CHWSQXEVSA-N 0 0 388.261 4.840 50 0 GJAARN CCOC(=O)c1ccccc1N[C@H]1c2ccccc2C(=O)N1c1ccccc1C ZINC000004918582 570365780 /nfs/dbraw/zinc/36/57/80/570365780.db2.gz XTCGDEKGJKZSCS-JOCHJYFZSA-N 0 0 386.451 4.943 50 0 GJAARN CCCCc1ccc(C(=O)NCCNC(=O)c2ccc(CCCC)cc2)cc1 ZINC000004324314 570367770 /nfs/dbraw/zinc/36/77/70/570367770.db2.gz QAYYADISNKSDAS-UHFFFAOYSA-N 0 0 380.532 4.532 50 0 GJAARN Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Br)c1 ZINC000004321639 570367803 /nfs/dbraw/zinc/36/78/03/570367803.db2.gz SVTODAHECCEVGI-UHFFFAOYSA-N 0 0 395.196 4.544 50 0 GJAARN COc1ccccc1NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000004325241 570368205 /nfs/dbraw/zinc/36/82/05/570368205.db2.gz YWIOUPMFCNIXTP-UHFFFAOYSA-N 0 0 376.338 4.544 50 0 GJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1oc2ccccc2c1COC ZINC000023660455 570368919 /nfs/dbraw/zinc/36/89/19/570368919.db2.gz MXSQLTOMSPMVNK-UHFFFAOYSA-N 0 0 387.457 4.687 50 0 GJAARN CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 ZINC000004353973 570370374 /nfs/dbraw/zinc/37/03/74/570370374.db2.gz VILSSXNTUJDBAS-UHFFFAOYSA-N 0 0 394.427 4.582 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)N(C)C4CCCCC4)sc3n2)cc1 ZINC000004930957 570372678 /nfs/dbraw/zinc/37/26/78/570372678.db2.gz LNYVSSHVMOYOJN-UHFFFAOYSA-N 0 0 383.517 4.785 50 0 GJAARN COc1ccc(-c2cn3c(C)c(C(=O)N[C@H]4CCCC[C@H]4C)sc3n2)cc1 ZINC000004930995 570372803 /nfs/dbraw/zinc/37/28/03/570372803.db2.gz WXBHDROINPQPQE-DYVFJYSZSA-N 0 0 383.517 4.688 50 0 GJAARN O=[S@@](Cc1ccccc1)/C(=C/NC(=S)Nc1ccccc1)c1ccccc1 ZINC000004398313 570373798 /nfs/dbraw/zinc/37/37/98/570373798.db2.gz XKXNSSGXGWFECQ-JXJSOSRJSA-N 0 0 392.549 4.921 50 0 GJAARN Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccccc2)cc1 ZINC000004937755 570374767 /nfs/dbraw/zinc/37/47/67/570374767.db2.gz OPZHUGKWFUZRDE-FCQUAONHSA-N 0 0 375.449 4.806 50 0 GJAARN CCOc1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1 ZINC000004939336 570375686 /nfs/dbraw/zinc/37/56/86/570375686.db2.gz RQWRPLRZHSCEMR-UHFFFAOYSA-N 0 0 379.437 4.967 50 0 GJAARN Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000004937030 570375859 /nfs/dbraw/zinc/37/58/59/570375859.db2.gz HBIXLNKEOBDUCU-UHFFFAOYSA-N 0 0 389.401 4.867 50 0 GJAARN COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000004937011 570375864 /nfs/dbraw/zinc/37/58/64/570375864.db2.gz AXMMOOKRJGMSJF-UHFFFAOYSA-N 0 0 383.447 4.598 50 0 GJAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cc(=O)[nH]c3ccccc32)c2ccccc2)cc1 ZINC000004472884 570376479 /nfs/dbraw/zinc/37/64/79/570376479.db2.gz DEMGGLNMUQUPEH-DEOSSOPVSA-N 0 0 397.430 4.618 50 0 GJAARN Cc1ccc(C(=O)[C@H](OC(=O)c2cc(=O)[nH]c3ccccc32)c2ccccc2)cc1 ZINC000004472882 570376605 /nfs/dbraw/zinc/37/66/05/570376605.db2.gz DEMGGLNMUQUPEH-XMMPIXPASA-N 0 0 397.430 4.618 50 0 GJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c(C)n1C1CC1 ZINC000004948565 570379465 /nfs/dbraw/zinc/37/94/65/570379465.db2.gz VXQUVGNNNADNOZ-UHFFFAOYSA-N 0 0 395.528 4.706 50 0 GJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C ZINC000024218228 570380702 /nfs/dbraw/zinc/38/07/02/570380702.db2.gz JEXONCRJKIZKJZ-CYBMUJFWSA-N 0 0 380.444 4.530 50 0 GJAARN Cc1ccc2[nH]c(=O)c3cc(C(=O)N[C@@H](C)CCc4ccccc4)sc3c2c1 ZINC000004950787 570380858 /nfs/dbraw/zinc/38/08/58/570380858.db2.gz SXGHCMBPSZALKY-HNNXBMFYSA-N 0 0 390.508 4.802 50 0 GJAARN COc1cccc(NC(=O)NCc2sc(-c3cccs3)nc2C)c1OC ZINC000090592813 570381354 /nfs/dbraw/zinc/38/13/54/570381354.db2.gz PYIJSXOIIWJFMQ-UHFFFAOYSA-N 0 0 389.502 4.519 50 0 GJAARN Cc1ccc(N2C(=N)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1C ZINC000004553270 570383708 /nfs/dbraw/zinc/38/37/08/570383708.db2.gz HXUHWKNOOIKUFN-FHRZLPSCSA-N 0 0 386.860 4.741 50 0 GJAARN COc1cc2ccccc2cc1C(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004573356 570385371 /nfs/dbraw/zinc/38/53/71/570385371.db2.gz SWIKVJMRUKCDKY-UHFFFAOYSA-N 0 0 379.500 4.564 50 0 GJAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1Cl ZINC000004588777 570385841 /nfs/dbraw/zinc/38/58/41/570385841.db2.gz IPLUFCLOAXYULF-HNNXBMFYSA-N 0 0 384.907 4.938 50 0 GJAARN COc1ccc(CNc2nc(-c3ccccc3OC)cc(C(F)(F)F)n2)cc1 ZINC000004597970 570386593 /nfs/dbraw/zinc/38/65/93/570386593.db2.gz CTRWBGLVSBQNGO-UHFFFAOYSA-N 0 0 389.377 4.792 50 0 GJAARN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000004593170 570386688 /nfs/dbraw/zinc/38/66/88/570386688.db2.gz XWVARADXLLMZLV-ATNYCFDYSA-N 0 0 381.884 4.803 50 0 GJAARN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)N2CCc3ccccc32)cc1 ZINC000004972075 570386973 /nfs/dbraw/zinc/38/69/73/570386973.db2.gz YHFMEQNRLSUNMS-UHFFFAOYSA-N 0 0 381.431 4.971 50 0 GJAARN Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 ZINC000004603717 570386965 /nfs/dbraw/zinc/38/69/65/570386965.db2.gz MESCOIGUJPVYLS-UHFFFAOYSA-N 0 0 392.455 4.981 50 0 GJAARN O=C(CCCOc1ccc(Br)cc1)Nc1cccc2ncccc21 ZINC000006322688 570388941 /nfs/dbraw/zinc/38/89/41/570388941.db2.gz FEBXYDPUPJLTAC-UHFFFAOYSA-N 0 0 385.261 4.795 50 0 GJAARN C[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 ZINC000220607740 570389229 /nfs/dbraw/zinc/38/92/29/570389229.db2.gz MSORXWUMWOFHDU-GOSISDBHSA-N 0 0 382.467 4.768 50 0 GJAARN CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@@H]1c1ccccc1 ZINC000004660613 570390212 /nfs/dbraw/zinc/39/02/12/570390212.db2.gz GLMSPFYXFPLBRT-HXUWFJFHSA-N 0 0 376.481 4.982 50 0 GJAARN Cc1ccc2c(c1)-c1c(c(C(=O)N[C@@H](C)CCc3ccccc3)nn1C)CS2 ZINC000035534843 570390264 /nfs/dbraw/zinc/39/02/64/570390264.db2.gz IRYUMHFRBLSHKS-INIZCTEOSA-N 0 0 391.540 4.752 50 0 GJAARN O=C(COc1ccccc1)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000004660045 570390325 /nfs/dbraw/zinc/39/03/25/570390325.db2.gz HMQAUYMPPVDVQF-UHFFFAOYSA-N 0 0 398.821 4.749 50 0 GJAARN Cc1nnc(SCc2cc(=O)oc3cc(C)c(C)cc23)n1Cc1ccccc1 ZINC000004985092 570390451 /nfs/dbraw/zinc/39/04/51/570390451.db2.gz BTRYOZYFIGGFDG-UHFFFAOYSA-N 0 0 391.496 4.650 50 0 GJAARN COc1ccc(NCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1Cl ZINC000004661018 570390505 /nfs/dbraw/zinc/39/05/05/570390505.db2.gz FFCZPGGNEWRBCO-LZYBPNLTSA-N 0 0 392.839 4.594 50 0 GJAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)NCCc1ccc(Cl)cc1 ZINC000035536182 570390587 /nfs/dbraw/zinc/39/05/87/570390587.db2.gz GDLJYDHDARZCFH-UHFFFAOYSA-N 0 0 376.790 4.554 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000004662690 570390579 /nfs/dbraw/zinc/39/05/79/570390579.db2.gz SRILEKKWPNWKAD-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN O=C(NCc1ccc(Cl)cc1)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000004992422 570390911 /nfs/dbraw/zinc/39/09/11/570390911.db2.gz VNQSRROSHOGXTF-UHFFFAOYSA-N 0 0 382.891 4.559 50 0 GJAARN Cc1c([C@@H](C)NC(=O)c2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000024753177 570391275 /nfs/dbraw/zinc/39/12/75/570391275.db2.gz UORVAQNVWWCYNV-GFCCVEGCSA-N 0 0 391.368 4.830 50 0 GJAARN COC(=O)c1cc(Nc2cc(Cl)c(OC)cc2OC)c2cc(F)ccc2n1 ZINC000035526439 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Fc1ccccc1-c1csc(CNCc2ccc(OC(F)F)c(F)c2)n1 ZINC000225637028 570596911 /nfs/dbraw/zinc/59/69/11/570596911.db2.gz MCGNSTFWGSGWFW-UHFFFAOYSA-N 0 0 382.382 4.980 50 0 GJAARN COc1cccc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)c1OC ZINC000003252498 570597586 /nfs/dbraw/zinc/59/75/86/570597586.db2.gz YZHDUADNHNUGPI-LFIBNONCSA-N 0 0 390.435 4.902 50 0 GJAARN C=C1C(Nc2cc(F)ccc2F)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000006797400 570597629 /nfs/dbraw/zinc/59/76/29/570597629.db2.gz RGCBIZRWQMUVAN-UHFFFAOYSA-N 0 0 376.428 4.673 50 0 GJAARN Cc1ccc(Cn2c3ccccc3nc2[C@H](C)NC(=O)Cc2ccccc2)cc1 ZINC000005452203 570597782 /nfs/dbraw/zinc/59/77/82/570597782.db2.gz RFQFYZJYXOIUOE-IBGZPJMESA-N 0 0 383.495 4.813 50 0 GJAARN CC[C@H](C(=O)NC1CCCCCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799256 570599188 /nfs/dbraw/zinc/59/91/88/570599188.db2.gz NXAQZSYFUQBYQT-QGZVFWFLSA-N 0 0 397.544 4.710 50 0 GJAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc2ccccc2c1 ZINC000003291136 570599691 /nfs/dbraw/zinc/59/96/91/570599691.db2.gz 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Cc1ccc(C)c(N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000006804140 570606677 /nfs/dbraw/zinc/60/66/77/570606677.db2.gz YDRIXSWAQDJREB-OALUTQOASA-N 0 0 392.952 4.658 50 0 GJAARN O=C(COC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000003434267 570607770 /nfs/dbraw/zinc/60/77/70/570607770.db2.gz CMAHIVWYKITQLP-UHFFFAOYSA-N 0 0 385.341 4.887 50 0 GJAARN Cc1cc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc(C)c1Cl ZINC000006804384 570607914 /nfs/dbraw/zinc/60/79/14/570607914.db2.gz XZUXRKBRAMOBPD-UHFFFAOYSA-N 0 0 380.875 4.964 50 0 GJAARN CCc1ccc(Nc2nnc(SCC(=O)N(C)C3CCCCC3)s2)cc1 ZINC000003461571 570609291 /nfs/dbraw/zinc/60/92/91/570609291.db2.gz FLOUWDONEONZRT-UHFFFAOYSA-N 0 0 390.578 4.727 50 0 GJAARN CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000005485234 570612833 /nfs/dbraw/zinc/61/28/33/570612833.db2.gz LSVKKAVBCMXEEP-KRWDZBQOSA-N 0 0 399.487 4.838 50 0 GJAARN COC(=O)c1c2c(sc1NC(=O)Cc1coc3cc(C)cc(C)c13)CCCC2 ZINC000006809833 570613740 /nfs/dbraw/zinc/61/37/40/570613740.db2.gz 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CN(C)c1cccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000006831593 570635112 /nfs/dbraw/zinc/63/51/12/570635112.db2.gz YVSUNVURIKGLBA-FQEVSTJZSA-N 0 0 389.524 4.857 50 0 GJAARN CCCN(CCC)P(=O)(C(Cl)=C(N(C)C)N(C)C)N(CCC)CCC ZINC000005257732 570660428 /nfs/dbraw/zinc/66/04/28/570660428.db2.gz AXWCDTKUKRKEMQ-UHFFFAOYSA-N 0 0 394.972 4.912 50 0 GJAARN COc1cccc(C(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c1 ZINC000033019781 570645766 /nfs/dbraw/zinc/64/57/66/570645766.db2.gz FJUUTYIDFCILNZ-UHFFFAOYSA-N 0 0 385.467 4.619 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCc1ccccc1)n2C ZINC000033020549 570646216 /nfs/dbraw/zinc/64/62/16/570646216.db2.gz CSIHTRVKEAGPIM-UHFFFAOYSA-N 0 0 385.467 4.619 50 0 GJAARN CC(C)c1ccc(-n2nnnc2S[C@H](C)c2nnc(-c3cccs3)o2)cc1 ZINC000006850249 570647484 /nfs/dbraw/zinc/64/74/84/570647484.db2.gz YIUMZXAETOGHHD-GFCCVEGCSA-N 0 0 398.517 4.751 50 0 GJAARN Cc1cc(C)n(-c2ccc(COC(=O)c3cnc(Cl)c(Cl)c3)cc2)n1 ZINC000006849887 570647540 /nfs/dbraw/zinc/64/75/40/570647540.db2.gz 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CCOc1ccccc1NC(=O)COc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000065031488 570652053 /nfs/dbraw/zinc/65/20/53/570652053.db2.gz JXFVXLKUXSCQDM-UHFFFAOYSA-N 0 0 399.450 4.713 50 0 GJAARN O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCc2ccccc2C1 ZINC000006861315 570653252 /nfs/dbraw/zinc/65/32/52/570653252.db2.gz KCDBMDTWQQAQFT-UHFFFAOYSA-N 0 0 384.501 4.626 50 0 GJAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1NC(=O)c1ccco1 ZINC000006866510 570655563 /nfs/dbraw/zinc/65/55/63/570655563.db2.gz SHIAVVUDKBMTDZ-UHFFFAOYSA-N 0 0 397.814 4.533 50 0 GJAARN Cc1ccccc1-c1noc(-c2cc3cc(Br)ccc3oc2=O)n1 ZINC000006868008 570656051 /nfs/dbraw/zinc/65/60/51/570656051.db2.gz MXQSJLICDGNPOB-UHFFFAOYSA-N 0 0 383.201 4.581 50 0 GJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCCC2)cc1F ZINC000033025468 570659264 /nfs/dbraw/zinc/65/92/64/570659264.db2.gz PWWNISNQNWAMGS-UHFFFAOYSA-N 0 0 395.482 4.748 50 0 GJAARN COc1cccc(Nc2nnc(SCC(=O)c3cc(C)sc3C)s2)c1 ZINC000005260349 570660397 /nfs/dbraw/zinc/66/03/97/570660397.db2.gz OFVNRVJYLAEQCT-UHFFFAOYSA-N 0 0 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O=C(NCCCc1ccccc1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065062996 570674470 /nfs/dbraw/zinc/67/44/70/570674470.db2.gz BLJHMAHRWQQYER-UHFFFAOYSA-N 0 0 389.480 4.828 50 0 GJAARN CC(=O)c1ccc(OC(=O)c2ccccc2F)cc1OC(=O)c1ccccc1F ZINC000003130073 570677408 /nfs/dbraw/zinc/67/74/08/570677408.db2.gz ALDUIRHTWOYOJX-UHFFFAOYSA-N 0 0 396.345 4.606 50 0 GJAARN C[C@@H](NC(=O)c1cc(F)ccc1Br)c1cccc(OC(F)F)c1 ZINC000036392975 570677480 /nfs/dbraw/zinc/67/74/80/570677480.db2.gz KIQSKSQYPDYAQQ-SECBINFHSA-N 0 0 388.183 4.681 50 0 GJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000014701580 570677570 /nfs/dbraw/zinc/67/75/70/570677570.db2.gz OJBKOVXFEFJFRI-CQSZACIVSA-N 0 0 383.879 4.642 50 0 GJAARN COc1cc2nc(C(Cl)=Cc3ccc(C(C)C)cc3)[nH]c(=O)c2cc1OC ZINC000007502896 570677745 /nfs/dbraw/zinc/67/77/45/570677745.db2.gz CEWHSSGXJBFVNB-SXGWCWSVSA-N 0 0 384.863 4.801 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000032578623 570677833 /nfs/dbraw/zinc/67/78/33/570677833.db2.gz 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570807289 /nfs/dbraw/zinc/80/72/89/570807289.db2.gz LIRKKEQFVZGXEV-UHFFFAOYSA-N 0 0 387.650 4.625 50 0 GJAARN CCSc1nc2n(n1)[C@H](CC(C)C)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000033085404 570807625 /nfs/dbraw/zinc/80/76/25/570807625.db2.gz QUJSEVYRTZRFNX-MRXNPFEDSA-N 0 0 385.537 4.624 50 0 GJAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccs2)no1 ZINC000007161137 570808511 /nfs/dbraw/zinc/80/85/11/570808511.db2.gz ARBPLSIZLGYXDJ-UHFFFAOYSA-N 0 0 398.513 4.600 50 0 GJAARN CC(=O)Nc1ccc(/C=C2/c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000007167751 570809271 /nfs/dbraw/zinc/80/92/71/570809271.db2.gz DYWJLQDLWLBOLS-HAHDFKILSA-N 0 0 396.446 4.681 50 0 GJAARN COc1ccc(-c2nc(COC(=O)c3sccc3C)cs2)cc1OC ZINC000005967082 570809601 /nfs/dbraw/zinc/80/96/01/570809601.db2.gz QWNPCBIXAWFJKK-UHFFFAOYSA-N 0 0 375.471 4.554 50 0 GJAARN Cc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccncc2)cc1C ZINC000004491091 570809602 /nfs/dbraw/zinc/80/96/02/570809602.db2.gz HNDAABHKASQCNL-LJQANCHMSA-N 0 0 378.501 4.550 50 0 GJAARN CC[C@@H](C(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1)c1ccccc1 ZINC000036759727 570809621 /nfs/dbraw/zinc/80/96/21/570809621.db2.gz MFDIDECVQKKJBP-GOSISDBHSA-N 0 0 392.421 4.730 50 0 GJAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 ZINC000033106242 570811239 /nfs/dbraw/zinc/81/12/39/570811239.db2.gz MQXQKEZGDUXPHC-UHFFFAOYSA-N 0 0 399.450 4.773 50 0 GJAARN C[C@H]1Cc2ccccc2N1C(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000005986509 570811858 /nfs/dbraw/zinc/81/18/58/570811858.db2.gz JAMVPARARUMFRC-AWEZNQCLSA-N 0 0 382.920 4.733 50 0 GJAARN O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)c(F)c1 ZINC000032779105 570812045 /nfs/dbraw/zinc/81/20/45/570812045.db2.gz PTVPAJGLTVIZGB-UHFFFAOYSA-N 0 0 395.818 4.540 50 0 GJAARN COc1cccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000101096602 570812413 /nfs/dbraw/zinc/81/24/13/570812413.db2.gz HXMNXCZYOUHRKF-UHFFFAOYSA-N 0 0 392.455 4.799 50 0 GJAARN CCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=Nc1ccccc1 ZINC000004664215 570812651 /nfs/dbraw/zinc/81/26/51/570812651.db2.gz IMTCVCBAPJZNGM-AMMNAMIQSA-N 0 0 382.485 4.718 50 0 GJAARN CC(=O)Oc1ccc(/C=C2/SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc1 ZINC000004664230 570812796 /nfs/dbraw/zinc/81/27/96/570812796.db2.gz KVHPHKDAVOPBHB-FTEWTSQZSA-N 0 0 394.496 4.872 50 0 GJAARN C[C@@H]1CCN(C(=O)CSc2nc3ccccc3n2C)c2ccccc2S1 ZINC000007191921 570813453 /nfs/dbraw/zinc/81/34/53/570813453.db2.gz AKWXGYRLIWGQFC-CQSZACIVSA-N 0 0 383.542 4.583 50 0 GJAARN CCOc1ccccc1OCCCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000005694589 570813577 /nfs/dbraw/zinc/81/35/77/570813577.db2.gz NCIZCQZVZHTOJN-UHFFFAOYSA-N 0 0 382.504 4.873 50 0 GJAARN COc1ccccc1C(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 ZINC000005694655 570813654 /nfs/dbraw/zinc/81/36/54/570813654.db2.gz DLGSHMQIEHJVHV-UHFFFAOYSA-N 0 0 385.514 4.882 50 0 GJAARN COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000012784124 570813677 /nfs/dbraw/zinc/81/36/77/570813677.db2.gz TXFRPAQAEUWRPH-PEKVBPLLSA-N 0 0 394.496 4.690 50 0 GJAARN C[C@@H]1CCc2c(sc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)C1 ZINC000005694699 570813741 /nfs/dbraw/zinc/81/37/41/570813741.db2.gz CRMHLUALLBRCFH-CQSZACIVSA-N 0 0 398.963 4.796 50 0 GJAARN Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000032795342 570815525 /nfs/dbraw/zinc/81/55/25/570815525.db2.gz YVKIOXOUFYJENN-YCRPNKLZSA-N 0 0 394.496 4.935 50 0 GJAARN O=C(COc1ccc(Br)cc1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000032796212 570818158 /nfs/dbraw/zinc/81/81/58/570818158.db2.gz VLVBWSCZDGPTIV-KRWDZBQOSA-N 0 0 394.696 4.845 50 0 GJAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C3CC3)n2C)c2ccccc2)c1 ZINC000007235161 570819146 /nfs/dbraw/zinc/81/91/46/570819146.db2.gz JFHMDQIDAZKAPL-LJQANCHMSA-N 0 0 392.528 4.781 50 0 GJAARN Cn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C1CC1 ZINC000007235204 570819169 /nfs/dbraw/zinc/81/91/69/570819169.db2.gz XHGDYFLNBKTIMH-FQEVSTJZSA-N 0 0 388.496 4.890 50 0 GJAARN Cc1nc(CSc2ccc(C(=O)N3CCOc4ccccc43)cc2)cs1 ZINC000036838007 570819597 /nfs/dbraw/zinc/81/95/97/570819597.db2.gz KCUABYQBFFJWJJ-UHFFFAOYSA-N 0 0 382.510 4.783 50 0 GJAARN O=C(NCCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000012476430 570821120 /nfs/dbraw/zinc/82/11/20/570821120.db2.gz QJTXVYDJIMSFEW-UHFFFAOYSA-N 0 0 387.870 4.923 50 0 GJAARN COc1cccc(Oc2ccc(-c3ccc(C(=O)NCCC(C)C)cc3)nn2)c1 ZINC000033130899 570821679 /nfs/dbraw/zinc/82/16/79/570821679.db2.gz BJYOBTJDPPJPMY-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN COc1cccc(Oc2ccc(-c3cccc(C(=O)NCCC(C)C)c3)nn2)c1 ZINC000033131049 570822120 /nfs/dbraw/zinc/82/21/20/570822120.db2.gz NICUENZZIPANDQ-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C ZINC000032808964 570823025 /nfs/dbraw/zinc/82/30/25/570823025.db2.gz AVYWNVJNFWEMIG-HNNXBMFYSA-N 0 0 396.487 4.949 50 0 GJAARN COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2c1 ZINC000001223886 570823032 /nfs/dbraw/zinc/82/30/32/570823032.db2.gz XSMBBHDNBFCERJ-UHFFFAOYSA-N 0 0 383.860 4.946 50 0 GJAARN CN(C(=O)Nc1ccc(Cl)cc1)[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012507357 570823143 /nfs/dbraw/zinc/82/31/43/570823143.db2.gz GXVXIQPGZQVUML-KRWDZBQOSA-N 0 0 389.286 4.980 50 0 GJAARN O=C([C@@H]1COc2ccccc2O1)N(c1nc2ccccc2s1)c1ccccc1 ZINC000007271237 570823278 /nfs/dbraw/zinc/82/32/78/570823278.db2.gz IQSLOAMUKKQTQJ-IBGZPJMESA-N 0 0 388.448 4.801 50 0 GJAARN C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012514196 570824609 /nfs/dbraw/zinc/82/46/09/570824609.db2.gz YCXZCEPJHMQYEK-LBPRGKRZSA-N 0 0 392.286 4.559 50 0 GJAARN COc1ccc(-c2nc(C[S@@](=O)Cc3ccccc3C)cs2)c(OC)c1 ZINC000032801416 570825183 /nfs/dbraw/zinc/82/51/83/570825183.db2.gz CMSZMKUFYNWFSG-AREMUKBSSA-N 0 0 387.526 4.585 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000005702136 570827774 /nfs/dbraw/zinc/82/77/74/570827774.db2.gz UFHKCOMXANKEHJ-OAHLLOKOSA-N 0 0 394.496 4.501 50 0 GJAARN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007306988 570827908 /nfs/dbraw/zinc/82/79/08/570827908.db2.gz VBNGMIOVFOWNOF-ZDUSSCGKSA-N 0 0 392.933 4.518 50 0 GJAARN CCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000004681336 570828557 /nfs/dbraw/zinc/82/85/57/570828557.db2.gz NRFMJYHZEYKAOQ-UHFFFAOYSA-N 0 0 394.544 4.513 50 0 GJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OCc1cn2ccccc2n1 ZINC000007318839 570829318 /nfs/dbraw/zinc/82/93/18/570829318.db2.gz XHNKUOIYDBWNBA-UHFFFAOYSA-N 0 0 395.821 4.958 50 0 GJAARN O=C(Nc1ccnn1Cc1ccccc1)c1cccc(OCc2cccs2)c1 ZINC000033158086 570829620 /nfs/dbraw/zinc/82/96/20/570829620.db2.gz ZGSXFLUAUHPWIG-UHFFFAOYSA-N 0 0 389.480 4.824 50 0 GJAARN O=C(CSCc1cccs1)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000032817206 570830729 /nfs/dbraw/zinc/83/07/29/570830729.db2.gz XUCUNRMLZIONTJ-UHFFFAOYSA-N 0 0 397.447 4.825 50 0 GJAARN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)s1 ZINC000007376976 570831182 /nfs/dbraw/zinc/83/11/82/570831182.db2.gz MSRDGIJCTOOYDX-UHFFFAOYSA-N 0 0 395.509 4.931 50 0 GJAARN CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1cccs1 ZINC000004516404 570831574 /nfs/dbraw/zinc/83/15/74/570831574.db2.gz MMBVIAJRNRNAMZ-UHFFFAOYSA-N 0 0 387.574 4.904 50 0 GJAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Oc1ccccc1 ZINC000032809533 570831831 /nfs/dbraw/zinc/83/18/31/570831831.db2.gz XPVPJWYNHZSNDD-UHFFFAOYSA-N 0 0 386.451 4.967 50 0 GJAARN CCCCNC(=S)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000007345547 570832327 /nfs/dbraw/zinc/83/23/27/570832327.db2.gz FWSAUBLMROWVMP-KRWDZBQOSA-N 0 0 382.360 4.875 50 0 GJAARN COc1ccc2cc([C@H]3CN(Cc4cc(F)ccc4OC)CCO3)ccc2c1 ZINC000071405567 570832908 /nfs/dbraw/zinc/83/29/08/570832908.db2.gz FKGZIVJRIBCNLK-HSZRJFAPSA-N 0 0 381.447 4.570 50 0 GJAARN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000012528848 570833068 /nfs/dbraw/zinc/83/30/68/570833068.db2.gz SPZSWFHZLCRGOJ-STXHMFSFSA-N 0 0 393.483 4.992 50 0 GJAARN COc1ccc(-c2csc(NC(=O)c3cccc(SC)c3)n2)cc1OC ZINC000004517488 570834030 /nfs/dbraw/zinc/83/40/30/570834030.db2.gz YNAIJHPTFKWNLK-UHFFFAOYSA-N 0 0 386.498 4.802 50 0 GJAARN CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000004517622 570834111 /nfs/dbraw/zinc/83/41/11/570834111.db2.gz AEKUOHQHDSHZDZ-UHFFFAOYSA-N 0 0 384.482 4.556 50 0 GJAARN COc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000033169145 570834530 /nfs/dbraw/zinc/83/45/30/570834530.db2.gz MDKIJYBADXBCFS-UHFFFAOYSA-N 0 0 396.493 4.773 50 0 GJAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 ZINC000004689661 570834907 /nfs/dbraw/zinc/83/49/07/570834907.db2.gz MRCAEFRQWYSUSR-MSOLQXFVSA-N 0 0 399.292 4.586 50 0 GJAARN COc1ccc(-c2nc(NC(=O)c3cncn3-c3ccccc3)sc2C)cc1 ZINC000012535432 570835844 /nfs/dbraw/zinc/83/58/44/570835844.db2.gz DIJICWFGXXZOGC-UHFFFAOYSA-N 0 0 390.468 4.565 50 0 GJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1 ZINC000007406622 570837731 /nfs/dbraw/zinc/83/77/31/570837731.db2.gz OASOHSATRLOOGD-UHFFFAOYSA-N 0 0 389.839 4.813 50 0 GJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCc1ccc(F)cc1Cl ZINC000012539377 570838097 /nfs/dbraw/zinc/83/80/97/570838097.db2.gz WOPNQEDQADFIOI-UHFFFAOYSA-N 0 0 386.732 4.591 50 0 GJAARN Cc1ccc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000007407314 570838159 /nfs/dbraw/zinc/83/81/59/570838159.db2.gz IBEBSNWLQFUTFL-UHFFFAOYSA-N 0 0 392.528 4.711 50 0 GJAARN Cc1nc(-c2cc(S(=O)(=O)NC3CCCCCC3)c(C)s2)sc1C ZINC000033169466 570838127 /nfs/dbraw/zinc/83/81/27/570838127.db2.gz HRMBXGNKILXLET-UHFFFAOYSA-N 0 0 384.592 4.798 50 0 GJAARN Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000003216556 570838187 /nfs/dbraw/zinc/83/81/87/570838187.db2.gz GTJHJGFPIBNFJF-UHFFFAOYSA-N 0 0 381.378 4.736 50 0 GJAARN CCN(CC)C(=O)c1ccc(NC(=O)COc2cc(C(C)C)ccc2C)cc1 ZINC000007408230 570838479 /nfs/dbraw/zinc/83/84/79/570838479.db2.gz KDJBRSNFGNXJMS-UHFFFAOYSA-N 0 0 382.504 4.618 50 0 GJAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)cc1C ZINC000101946578 570839124 /nfs/dbraw/zinc/83/91/24/570839124.db2.gz SLWGXKTYLLDIIO-LJQANCHMSA-N 0 0 389.499 4.778 50 0 GJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C3CCC[C@H]3C2=O)c(Cl)c1 ZINC000101946985 570839144 /nfs/dbraw/zinc/83/91/44/570839144.db2.gz BRODXIMQVYWQDA-CQSZACIVSA-N 0 0 381.863 4.506 50 0 GJAARN Cc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c(C)c1 ZINC000101946607 570839209 /nfs/dbraw/zinc/83/92/09/570839209.db2.gz NUWXABVISIJPTQ-GOSISDBHSA-N 0 0 389.499 4.778 50 0 GJAARN COc1ccc(-c2noc(COc3cccc(Cl)c3Cl)n2)cc1OC ZINC000007419825 570839323 /nfs/dbraw/zinc/83/93/23/570839323.db2.gz PKJWIIQFYIEXAA-UHFFFAOYSA-N 0 0 381.215 4.640 50 0 GJAARN Cc1c(-c2nsc(Nc3ccc(C)cc3)n2)nnn1-c1cccc(Cl)c1 ZINC000033175364 570840047 /nfs/dbraw/zinc/84/00/47/570840047.db2.gz QBJFFLQIPGXEAK-UHFFFAOYSA-N 0 0 382.880 4.800 50 0 GJAARN O=C(c1ccc(F)cc1)N(CCCn1ccnc1)c1nc2c(cccc2F)s1 ZINC000007424478 570841233 /nfs/dbraw/zinc/84/12/33/570841233.db2.gz RCAFQODPAXNGEZ-UHFFFAOYSA-N 0 0 398.438 4.508 50 0 GJAARN OCc1cnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1ccc(F)cc1 ZINC000007424380 570841336 /nfs/dbraw/zinc/84/13/36/570841336.db2.gz HZCLOEJKAXPIQN-UHFFFAOYSA-N 0 0 396.409 4.874 50 0 GJAARN O=C(c1ccc(CO)cc1)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071639552 570841940 /nfs/dbraw/zinc/84/19/40/570841940.db2.gz KMOSUCPRKGRHLT-QGZVFWFLSA-N 0 0 391.433 4.683 50 0 GJAARN CCN(CC)C(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 ZINC000014387006 570843446 /nfs/dbraw/zinc/84/34/46/570843446.db2.gz LWNHOOLCYLCIOU-UHFFFAOYSA-N 0 0 378.472 4.713 50 0 GJAARN Cc1nc(-c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)cs1 ZINC000007438345 570843795 /nfs/dbraw/zinc/84/37/95/570843795.db2.gz OKZVUCDGHFVXFW-UHFFFAOYSA-N 0 0 396.497 4.801 50 0 GJAARN O=C(Oc1ccc(Cl)c2ccccc12)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000037170388 570844770 /nfs/dbraw/zinc/84/47/70/570844770.db2.gz STPPSYPGXZWKGP-CQSZACIVSA-N 0 0 383.831 4.544 50 0 GJAARN CCCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl ZINC000012544512 570845364 /nfs/dbraw/zinc/84/53/64/570845364.db2.gz GZJGAWOEEUMUMX-UHFFFAOYSA-N 0 0 377.872 4.970 50 0 GJAARN CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000012544947 570845949 /nfs/dbraw/zinc/84/59/49/570845949.db2.gz IPOBWOBKSFRRAD-UHFFFAOYSA-N 0 0 388.876 4.626 50 0 GJAARN Fc1ccc(-c2noc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000032836192 570845948 /nfs/dbraw/zinc/84/59/48/570845948.db2.gz NZBGVOCSGHPXIH-UHFFFAOYSA-N 0 0 395.434 4.549 50 0 GJAARN O=C(Cc1ccc(Br)cc1)OCc1csc(-c2ccccc2)n1 ZINC000003273567 570846577 /nfs/dbraw/zinc/84/65/77/570846577.db2.gz SFZNYRIBXGXNKM-UHFFFAOYSA-N 0 0 388.286 4.859 50 0 GJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000007462186 570846756 /nfs/dbraw/zinc/84/67/56/570846756.db2.gz UQBSDAZXUPUPQR-SHUWCMERSA-N 0 0 385.596 4.810 50 0 GJAARN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccsc2)cc1 ZINC000240122652 570847728 /nfs/dbraw/zinc/84/77/28/570847728.db2.gz WFFFIFOIKNIYGN-IRLDBZIGSA-N 0 0 376.481 5.389 50 0 GJAARN Cc1cc(C)c2nc(SCC(=O)N3CCc4ccccc4C3)cc(C)c2c1 ZINC000012546963 570848444 /nfs/dbraw/zinc/84/84/44/570848444.db2.gz SVZIKGMWYREABM-UHFFFAOYSA-N 0 0 376.525 4.837 50 0 GJAARN Cn1cccc1[C@H]1CCCCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000032841735 570849963 /nfs/dbraw/zinc/84/99/63/570849963.db2.gz BFSNKQMUALMFGB-QGZVFWFLSA-N 0 0 381.303 4.855 50 0 GJAARN COc1ccc(-c2nnc(CSc3ncnc4c5ccccc5oc43)o2)cc1 ZINC000032842614 570851025 /nfs/dbraw/zinc/85/10/25/570851025.db2.gz OQTJSDVFVWBOTE-UHFFFAOYSA-N 0 0 390.424 4.727 50 0 GJAARN COc1ccc(C2(CNC(=O)/C=C(\C)c3ccccc3)CCCC2)cc1OC ZINC000013562068 570851737 /nfs/dbraw/zinc/85/17/37/570851737.db2.gz XEUUCAZMWGXOIR-OBGWFSINSA-N 0 0 379.500 4.735 50 0 GJAARN Cc1ccc(-c2nc(C)c(C(=O)Nc3nc4cccc(Cl)c4n3C)s2)o1 ZINC000170596834 570853913 /nfs/dbraw/zinc/85/39/13/570853913.db2.gz BFAZSVHTHJZGFZ-UHFFFAOYSA-N 0 0 386.864 4.812 50 0 GJAARN Cn1cccc1[C@@H]1CCCCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000032854588 570855188 /nfs/dbraw/zinc/85/51/88/570855188.db2.gz ZCECEFNMLPZWBU-KRWDZBQOSA-N 0 0 381.303 4.855 50 0 GJAARN O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc2ccccn21)c1ccccc1 ZINC000003316792 570855744 /nfs/dbraw/zinc/85/57/44/570855744.db2.gz AEYFRRDRDUBOKQ-OAQYLSRUSA-N 0 0 384.464 4.927 50 0 GJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000004715783 570856187 /nfs/dbraw/zinc/85/61/87/570856187.db2.gz LTMPRLUDPLXDPX-WMZHIEFXSA-N 0 0 390.439 4.848 50 0 GJAARN CCc1nnsc1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000012552378 570856264 /nfs/dbraw/zinc/85/62/64/570856264.db2.gz MLGYMPPXEQLREI-UHFFFAOYSA-N 0 0 399.426 4.765 50 0 GJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1 ZINC000102666630 570856448 /nfs/dbraw/zinc/85/64/48/570856448.db2.gz NFUFBAQBJIGINC-OPAMFIHVSA-N 0 0 386.455 4.660 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000004716808 570856594 /nfs/dbraw/zinc/85/65/94/570856594.db2.gz ZYQDDZBSFGXJFU-UHFFFAOYSA-N 0 0 394.496 4.665 50 0 GJAARN O=C(c1ccoc1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000012552826 570856724 /nfs/dbraw/zinc/85/67/24/570856724.db2.gz QAWKNQDMLDIKFZ-UHFFFAOYSA-N 0 0 386.904 4.620 50 0 GJAARN CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000170599578 570857713 /nfs/dbraw/zinc/85/77/13/570857713.db2.gz STHRWXTXQHQYEQ-BLLLJJGKSA-N 0 0 376.909 4.914 50 0 GJAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)C1 ZINC000004712771 570858451 /nfs/dbraw/zinc/85/84/51/570858451.db2.gz VYWVRMDPDAOZOR-FBAKOMQWSA-N 0 0 392.524 4.890 50 0 GJAARN CCN(C(=O)CSCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000033250356 570859586 /nfs/dbraw/zinc/85/95/86/570859586.db2.gz BFUPUOSRVKHGES-UHFFFAOYSA-N 0 0 387.892 4.676 50 0 GJAARN CCc1cccc(C)c1NC(=O)CSCc1nc(-c2cccc(F)c2)no1 ZINC000033250436 570859667 /nfs/dbraw/zinc/85/96/67/570859667.db2.gz SGAIYAPETRXCEG-UHFFFAOYSA-N 0 0 385.464 4.618 50 0 GJAARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3cccs3)CC1=N2 ZINC000102713532 570860296 /nfs/dbraw/zinc/86/02/96/570860296.db2.gz QBBKSTSZUCMONY-WYRIXSBYSA-N 0 0 398.438 4.991 50 0 GJAARN Cc1ccsc1CCNC(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033252386 570860397 /nfs/dbraw/zinc/86/03/97/570860397.db2.gz YTXZAQRVNLHERQ-UHFFFAOYSA-N 0 0 389.480 4.746 50 0 GJAARN O=C(Nc1ccc(Cl)cn1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033252353 570860437 /nfs/dbraw/zinc/86/04/37/570860437.db2.gz HODRROJENCMPQZ-UHFFFAOYSA-N 0 0 376.803 4.704 50 0 GJAARN COC(=O)c1ccc(N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)cc1 ZINC000007504086 570860706 /nfs/dbraw/zinc/86/07/06/570860706.db2.gz PSWHOTQGBHBAEB-FQEVSTJZSA-N 0 0 385.423 4.725 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(F)c1 ZINC000012559677 570861373 /nfs/dbraw/zinc/86/13/73/570861373.db2.gz UQDMOFXNMCGXHE-UHFFFAOYSA-N 0 0 375.403 4.613 50 0 GJAARN Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(O)c1 ZINC000032863712 570861619 /nfs/dbraw/zinc/86/16/19/570861619.db2.gz QQDXFRVDXFRFCR-UHFFFAOYSA-N 0 0 376.416 4.539 50 0 GJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)NCc3ccccc3)c2)oc1C ZINC000004722750 570862206 /nfs/dbraw/zinc/86/22/06/570862206.db2.gz DMABAFAPKGMQOT-UHFFFAOYSA-N 0 0 378.428 4.753 50 0 GJAARN O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)c1ccccc1 ZINC000003364560 570862252 /nfs/dbraw/zinc/86/22/52/570862252.db2.gz HUJZMMQTCBROJY-UHFFFAOYSA-N 0 0 395.509 4.547 50 0 GJAARN CCCc1c(NCc2nc(Cc3ccccc3)no2)cnn1-c1cccc(F)c1 ZINC000170603580 570862715 /nfs/dbraw/zinc/86/27/15/570862715.db2.gz QXRINJXRNHLEMX-UHFFFAOYSA-N 0 0 391.450 4.550 50 0 GJAARN CCOC(=O)c1c(=O)[nH]c2c(Cl)cccc2c1NCc1cccc(Cl)c1 ZINC000033256871 570863572 /nfs/dbraw/zinc/86/35/72/570863572.db2.gz JBBPKDNVHDKSFW-UHFFFAOYSA-N 0 0 391.254 4.624 50 0 GJAARN CCOC(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1NCc1ccccc1Cl ZINC000033256874 570863651 /nfs/dbraw/zinc/86/36/51/570863651.db2.gz WVLZRCQSPSBSKK-UHFFFAOYSA-N 0 0 391.254 4.624 50 0 GJAARN Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)cc1 ZINC000102799961 570864609 /nfs/dbraw/zinc/86/46/09/570864609.db2.gz VIXJBBYKCUAJGP-HNNXBMFYSA-N 0 0 392.768 4.728 50 0 GJAARN C[C@H]1O[C@@H](C)Cc2c1sc(NC(=O)c1ccco1)c2C(=O)OC(C)(C)C ZINC000170607590 570864728 /nfs/dbraw/zinc/86/47/28/570864728.db2.gz GJBPQJYMMVVBQJ-WDEREUQCSA-N 0 0 377.462 4.571 50 0 GJAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1cccc(C)c1 ZINC000033258688 570865139 /nfs/dbraw/zinc/86/51/39/570865139.db2.gz WFHOXGQVPACJBC-UHFFFAOYSA-N 0 0 399.454 4.669 50 0 GJAARN CC1CCN(C(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)CC1 ZINC000033261284 570867653 /nfs/dbraw/zinc/86/76/53/570867653.db2.gz QZCGYBGCJWMSCC-UHFFFAOYSA-N 0 0 390.462 4.898 50 0 GJAARN FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)c1 ZINC000072129765 570868082 /nfs/dbraw/zinc/86/80/82/570868082.db2.gz ZWCTWUXEHNGUKV-HNNXBMFYSA-N 0 0 379.426 4.811 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CCC(=O)NCC(C)C ZINC000037278685 570869217 /nfs/dbraw/zinc/86/92/17/570869217.db2.gz LHUQVFVIBSXEKB-UHFFFAOYSA-N 0 0 395.478 4.817 50 0 GJAARN CC(C)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)c(C(C)C)c1 ZINC000044246996 570873377 /nfs/dbraw/zinc/87/33/77/570873377.db2.gz XBIBOPKPTDSZPK-UHFFFAOYSA-N 0 0 380.536 4.678 50 0 GJAARN COC(=O)c1ccc(NCc2cc(-c3ccncc3)ccc2OC)cc1Cl ZINC000170616110 570874526 /nfs/dbraw/zinc/87/45/26/570874526.db2.gz VFEDQLXGFHCFAJ-UHFFFAOYSA-N 0 0 382.847 4.809 50 0 GJAARN O=C(Cc1cccc(Br)c1)O[C@@H](c1ccccc1)c1ccncc1 ZINC000170617058 570874637 /nfs/dbraw/zinc/87/46/37/570874637.db2.gz HWVIAQFJUDFTGE-FQEVSTJZSA-N 0 0 382.257 4.719 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)CSc2cn(CC)c3ccccc23)cc1 ZINC000003581879 570876851 /nfs/dbraw/zinc/87/68/51/570876851.db2.gz CIJKLVZDOUVFBF-UHFFFAOYSA-N 0 0 382.485 4.569 50 0 GJAARN CC(C)c1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)nn1C(C)(C)C ZINC000044413667 570879167 /nfs/dbraw/zinc/87/91/67/570879167.db2.gz JFBZCZJRLUBITO-UHFFFAOYSA-N 0 0 384.524 4.998 50 0 GJAARN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)s1 ZINC000170623016 570880168 /nfs/dbraw/zinc/88/01/68/570880168.db2.gz QQZFWGUWNUNHPM-LLVKDONJSA-N 0 0 395.406 4.959 50 0 GJAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000003648651 570880955 /nfs/dbraw/zinc/88/09/55/570880955.db2.gz NERBKTGRENIWSA-UHFFFAOYSA-N 0 0 397.272 4.635 50 0 GJAARN O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc(-c2cccc(Cl)c2)on1 ZINC000170623569 570881676 /nfs/dbraw/zinc/88/16/76/570881676.db2.gz DMBBTXPDRLXFTL-FQEVSTJZSA-N 0 0 392.842 4.612 50 0 GJAARN Cc1nn(-c2ccccc2C)c(C)c1CN(C)c1cc(C)nc(-c2ccncc2)n1 ZINC000170625608 570882639 /nfs/dbraw/zinc/88/26/39/570882639.db2.gz YRODLQKRTFRWNI-UHFFFAOYSA-N 0 0 398.514 4.594 50 0 GJAARN COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000012589321 570883292 /nfs/dbraw/zinc/88/32/92/570883292.db2.gz MYWFKULOJQWHRZ-UHFFFAOYSA-N 0 0 397.434 4.578 50 0 GJAARN Cc1cc(C)cc(Oc2ccc(CNC(=O)N(C)Cc3cnccn3)cc2C)c1 ZINC000170630724 570884313 /nfs/dbraw/zinc/88/43/13/570884313.db2.gz IQOUVEFTFSQPPI-UHFFFAOYSA-N 0 0 390.487 4.536 50 0 GJAARN Cc1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)ccc1N1CCCC1=O ZINC000032883697 570884757 /nfs/dbraw/zinc/88/47/57/570884757.db2.gz IJUYILNLMXCDQX-UHFFFAOYSA-N 0 0 380.463 4.711 50 0 GJAARN Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cn2)cc1NC(=O)c1ccco1 ZINC000097010711 570885663 /nfs/dbraw/zinc/88/56/63/570885663.db2.gz SQUFYGTVDUHJKT-UHFFFAOYSA-N 0 0 390.226 4.794 50 0 GJAARN Fc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1 ZINC000033267986 570889606 /nfs/dbraw/zinc/88/96/06/570889606.db2.gz CCFBNODGJRCUPR-UHFFFAOYSA-N 0 0 382.395 4.764 50 0 GJAARN CC[C@H](C)CCCNc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000012615416 570890835 /nfs/dbraw/zinc/89/08/35/570890835.db2.gz GYPJYMHDVRVNNV-XUWVNRHRSA-N 0 0 398.642 4.809 50 0 GJAARN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000004563874 570891040 /nfs/dbraw/zinc/89/10/40/570891040.db2.gz VNRAWNWHHUQAEQ-RPWUZVMVSA-N 0 0 396.490 4.725 50 0 GJAARN CCc1oc2c(cccc2NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c1C ZINC000299764644 570892743 /nfs/dbraw/zinc/89/27/43/570892743.db2.gz BGJVURNGSCIOLT-UHFFFAOYSA-N 0 0 378.476 4.939 50 0 GJAARN O=C(Nc1ccccc1SCC(F)(F)F)c1cc2c(c(Cl)c1)OCO2 ZINC000032900580 570894475 /nfs/dbraw/zinc/89/44/75/570894475.db2.gz KSFOYHHQLRAZSX-UHFFFAOYSA-N 0 0 389.782 4.975 50 0 GJAARN Clc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccccc4)no3)c2CO1 ZINC000097077475 570898103 /nfs/dbraw/zinc/89/81/03/570898103.db2.gz STBHLDVEJGYGKF-QGZVFWFLSA-N 0 0 378.819 4.525 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)c2c(C)sc3ccn(CC(C)C)c(=O)c32)cc1 ZINC000097161247 570898601 /nfs/dbraw/zinc/89/86/01/570898601.db2.gz RHJVVSNOWNZDCV-CQSZACIVSA-N 0 0 398.528 4.527 50 0 GJAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1 ZINC000004571465 570898979 /nfs/dbraw/zinc/89/89/79/570898979.db2.gz TUKAMVCXJFVPBW-QHCPKHFHSA-N 0 0 398.572 4.941 50 0 GJAARN CCc1nc2sc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)c(C)c2c(C)n1 ZINC000032903163 570901638 /nfs/dbraw/zinc/90/16/38/570901638.db2.gz MZJWBDVCZZRNEK-KRWDZBQOSA-N 0 0 395.528 4.856 50 0 GJAARN COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC(F)F ZINC000032905193 570902958 /nfs/dbraw/zinc/90/29/58/570902958.db2.gz RALLLIJHGOYNQY-UHFFFAOYSA-N 0 0 376.186 4.785 50 0 GJAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cccc2ccccc21 ZINC000014659375 570908629 /nfs/dbraw/zinc/90/86/29/570908629.db2.gz XTNYPGMUKANTKO-UHFFFAOYSA-N 0 0 386.476 4.848 50 0 GJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(OC(F)F)cc1 ZINC000023116989 570908679 /nfs/dbraw/zinc/90/86/79/570908679.db2.gz GTVZHFYZCCCQKI-UHFFFAOYSA-N 0 0 378.375 4.732 50 0 GJAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccccc2)cs1 ZINC000005738629 570915493 /nfs/dbraw/zinc/91/54/93/570915493.db2.gz VRWQNGUKKWTMIG-UHFFFAOYSA-N 0 0 387.917 4.519 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1C ZINC000004585390 570916798 /nfs/dbraw/zinc/91/67/98/570916798.db2.gz ONUGEJFBRBBFDH-UHFFFAOYSA-N 0 0 383.451 4.563 50 0 GJAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263585883 570918046 /nfs/dbraw/zinc/91/80/46/570918046.db2.gz NNUXRYYFELGESV-GOSISDBHSA-N 0 0 396.446 4.892 50 0 biogenic GJAARN CCN(Cc1cccc(NC(=O)c2ccc(F)c(F)c2)c1)C(=O)OC(C)(C)C ZINC000032912880 570918348 /nfs/dbraw/zinc/91/83/48/570918348.db2.gz GKXXYKOWSAILJD-UHFFFAOYSA-N 0 0 390.430 4.974 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1 ZINC000004585555 570918757 /nfs/dbraw/zinc/91/87/57/570918757.db2.gz JVASLTRMBFMFQA-UHFFFAOYSA-N 0 0 383.473 4.890 50 0 GJAARN CC[C@@H]1COCCN1C(=O)c1cccc(-c2ccnc3ccc(Cl)cc32)c1 ZINC000534662673 570922176 /nfs/dbraw/zinc/92/21/76/570922176.db2.gz NSQUAUSRXJDBKS-GOSISDBHSA-N 0 0 380.875 4.806 50 0 GJAARN C[C@@H]1CN(c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2)CCO1 ZINC000170633502 570927577 /nfs/dbraw/zinc/92/75/77/570927577.db2.gz NGJUHHPDQAJCGB-MRXNPFEDSA-N 0 0 384.907 4.626 50 0 GJAARN COc1ccc(CN(C(C)=O)C(=O)CC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1 ZINC000004062870 570927607 /nfs/dbraw/zinc/92/76/07/570927607.db2.gz BFBSQGWEYIKZKQ-HSZRJFAPSA-N 0 0 389.536 4.582 50 0 biogenic GJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2)s1 ZINC000004072396 570929518 /nfs/dbraw/zinc/92/95/18/570929518.db2.gz ZBVAKXOHUXYXOG-UHFFFAOYSA-N 0 0 380.256 4.529 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000004072371 570929566 /nfs/dbraw/zinc/92/95/66/570929566.db2.gz PHBVTZBMGLCOSI-UHFFFAOYSA-N 0 0 380.256 4.529 50 0 GJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000935587 570930082 /nfs/dbraw/zinc/93/00/82/570930082.db2.gz AQIMMNZMZFNCNW-MRXNPFEDSA-N 0 0 375.424 4.531 50 0 GJAARN CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000004074090 570930346 /nfs/dbraw/zinc/93/03/46/570930346.db2.gz GVIBMJZVMHMBKI-BLDDEZIESA-N 0 0 384.516 4.733 50 0 biogenic GJAARN Cc1ccc(OC[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001140289 570931851 /nfs/dbraw/zinc/93/18/51/570931851.db2.gz WZGABRAYAVOTEF-JOCHJYFZSA-N 0 0 384.479 4.965 50 0 GJAARN COc1ccc([C@@H]2CCCN2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)cc1 ZINC000012637557 570932075 /nfs/dbraw/zinc/93/20/75/570932075.db2.gz SHUKZKXWCQEYGW-NRFANRHFSA-N 0 0 394.544 4.823 50 0 GJAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000004854501 570932713 /nfs/dbraw/zinc/93/27/13/570932713.db2.gz IBGDNOLYMMXLPK-JOCHJYFZSA-N 0 0 375.472 4.751 50 0 GJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C ZINC000002821704 570933311 /nfs/dbraw/zinc/93/33/11/570933311.db2.gz TYURMSZTMLWGTK-MRXNPFEDSA-N 0 0 375.490 4.726 50 0 GJAARN Cc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1C(=O)N1CCCC1 ZINC000046909522 570935487 /nfs/dbraw/zinc/93/54/87/570935487.db2.gz KBJWIAQHDWOVMH-UHFFFAOYSA-N 0 0 391.298 4.719 50 0 GJAARN Cc1ccc(NC(=O)NCCn2c3ncccc3nc2-c2ccccc2)cc1C ZINC000046913591 570935997 /nfs/dbraw/zinc/93/59/97/570935997.db2.gz RQQAGTPPQYQJST-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN COc1cccc(-n2nnc(-c3nc(-c4cc(C)ccc4C)cs3)c2C)c1 ZINC000017026607 570937650 /nfs/dbraw/zinc/93/76/50/570937650.db2.gz YXULQJRDMKKKJH-UHFFFAOYSA-N 0 0 376.485 4.992 50 0 GJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NCC1CCCC1 ZINC000047013554 570938871 /nfs/dbraw/zinc/93/88/71/570938871.db2.gz LUOFDEIPLZSMSQ-QGZVFWFLSA-N 0 0 379.504 4.832 50 0 GJAARN Cc1ncc(Cl)c(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)n1 ZINC000170640120 570946342 /nfs/dbraw/zinc/94/63/42/570946342.db2.gz QQAVNUOJWBUJLL-LJQANCHMSA-N 0 0 377.831 4.704 50 0 GJAARN C[C@H](CNC(=O)c1ccc(Cl)c(-n2cnc3cccnc32)c1)c1ccccc1 ZINC000032932118 570947020 /nfs/dbraw/zinc/94/70/20/570947020.db2.gz LLXXDLHLXFMLKL-OAHLLOKOSA-N 0 0 390.874 4.607 50 0 GJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cccc(C)c1)CC(=O)N2 ZINC000033271461 570947292 /nfs/dbraw/zinc/94/72/92/570947292.db2.gz YYFQEXSBFKLDPC-MRXNPFEDSA-N 0 0 388.496 4.881 50 0 GJAARN C[C@@H](Oc1ccccc1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000032936641 570948345 /nfs/dbraw/zinc/94/83/45/570948345.db2.gz IJDBDGOBBFCPNZ-UTKZUKDTSA-N 0 0 379.431 4.530 50 0 GJAARN O=C(NCc1ccccc1F)N[C@@H](COc1ccccc1F)c1ccccc1 ZINC000032937011 570948532 /nfs/dbraw/zinc/94/85/32/570948532.db2.gz XMVWUKAYXIZCEI-FQEVSTJZSA-N 0 0 382.410 4.584 50 0 GJAARN CC[C@H]1CN(C(=O)c2csc(-c3ccccc3OC)n2)c2ccccc2O1 ZINC000170640617 570948584 /nfs/dbraw/zinc/94/85/84/570948584.db2.gz OYAKSMRHPPTUBJ-AWEZNQCLSA-N 0 0 380.469 4.637 50 0 GJAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2OC)C1C(=O)OCC ZINC000004735581 570949910 /nfs/dbraw/zinc/94/99/10/570949910.db2.gz QMGCHOHRMBHISJ-NRFANRHFSA-N 0 0 391.471 4.677 50 0 GJAARN O=C(c1cn(Cc2nc(-c3cccs3)no2)c2ccccc12)C(F)(F)F ZINC000020069531 570951419 /nfs/dbraw/zinc/95/14/19/570951419.db2.gz AIUFLQRNIINOTH-UHFFFAOYSA-N 0 0 377.347 4.546 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1 ZINC000033276452 570951690 /nfs/dbraw/zinc/95/16/90/570951690.db2.gz MAECGDAPNPEOAS-UHFFFAOYSA-N 0 0 391.452 4.513 50 0 GJAARN COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 ZINC000002930845 570953046 /nfs/dbraw/zinc/95/30/46/570953046.db2.gz KCWUAHKFJDPXFA-UHFFFAOYSA-N 0 0 395.802 4.911 50 0 GJAARN CSc1ccc(NC(=O)CCn2c(=S)[nH]nc2-c2ccc(C)cc2)cc1 ZINC000012039442 570957266 /nfs/dbraw/zinc/95/72/66/570957266.db2.gz ATZCWWMYNUWESS-UHFFFAOYSA-N 0 0 384.530 4.667 50 0 GJAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1F ZINC000032103721 570960434 /nfs/dbraw/zinc/96/04/34/570960434.db2.gz HCACARAEEJREIS-MRXNPFEDSA-N 0 0 398.825 4.823 50 0 GJAARN CCCOc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C ZINC000002137624 570962513 /nfs/dbraw/zinc/96/25/13/570962513.db2.gz PEFHTTWXGZZXLM-UHFFFAOYSA-N 0 0 392.407 4.672 50 0 biogenic GJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2s1 ZINC000033298850 570962944 /nfs/dbraw/zinc/96/29/44/570962944.db2.gz SMKDYUSKALVCAS-UHFFFAOYSA-N 0 0 378.544 4.772 50 0 GJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCc4sccc4C3)c12 ZINC000012216814 570965075 /nfs/dbraw/zinc/96/50/75/570965075.db2.gz WNQXHVCWACMJQR-UHFFFAOYSA-N 0 0 393.443 4.597 50 0 GJAARN CCc1nc(CSc2n[nH]c(-c3ccccc3Br)n2)cs1 ZINC000083830356 570967763 /nfs/dbraw/zinc/96/77/63/570967763.db2.gz YHUJGUFKNRGYTE-UHFFFAOYSA-N 0 0 381.324 4.545 50 0 GJAARN COc1ccc(CCN(C)c2cc(Oc3ccc(Cl)cc3)ncn2)cc1OC ZINC000037377703 570969548 /nfs/dbraw/zinc/96/95/48/570969548.db2.gz LNHGYGULLQLGDX-UHFFFAOYSA-N 0 0 399.878 4.618 50 0 GJAARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3cccc(OC)c3)c12 ZINC000002146206 570971216 /nfs/dbraw/zinc/97/12/16/570971216.db2.gz NSODNHVDJPTSJC-UHFFFAOYSA-N 0 0 380.440 4.714 50 0 biogenic GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cc(F)ccc1C ZINC000033312590 570971946 /nfs/dbraw/zinc/97/19/46/570971946.db2.gz WZKMJNHDAWZZHZ-UHFFFAOYSA-N 0 0 384.480 4.690 50 0 GJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3F)c(C)c2oc1=O ZINC000002149506 570972137 /nfs/dbraw/zinc/97/21/37/570972137.db2.gz SQHNKCPPRZUNGS-UHFFFAOYSA-N 0 0 398.430 4.624 50 0 biogenic GJAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1cccc(C)c1 ZINC000033316494 570973213 /nfs/dbraw/zinc/97/32/13/570973213.db2.gz LMKFRCGEWMDECW-UHFFFAOYSA-N 0 0 397.521 4.678 50 0 GJAARN Cc1ccc2c(C)c(CCC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)c(=O)oc2c1 ZINC000012728891 570973253 /nfs/dbraw/zinc/97/32/53/570973253.db2.gz LMYZGUPKNPKMDW-OAHLLOKOSA-N 0 0 399.437 4.840 50 0 GJAARN Cc1ccc2c(C)c(CCC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)c(=O)oc2c1 ZINC000012728895 570973311 /nfs/dbraw/zinc/97/33/11/570973311.db2.gz LMYZGUPKNPKMDW-HNNXBMFYSA-N 0 0 399.437 4.840 50 0 GJAARN Cc1cccc(-c2noc(CCN(Cc3ccco3)C(=O)c3cccs3)n2)c1 ZINC000107391825 570973743 /nfs/dbraw/zinc/97/37/43/570973743.db2.gz ZWNHEROVGYMDFH-UHFFFAOYSA-N 0 0 393.468 4.585 50 0 GJAARN CCN(Cc1cccc(NC(=O)N(CC)Cc2ccc3[nH]ccc3c2)c1)C(C)=O ZINC000252493961 570975206 /nfs/dbraw/zinc/97/52/06/570975206.db2.gz NHJRSKRWGGWAGS-UHFFFAOYSA-N 0 0 392.503 4.590 50 0 GJAARN O=C(NC[C@H](c1ccco1)c1cccs1)c1ccccc1Br ZINC000585146740 570976306 /nfs/dbraw/zinc/97/63/06/570976306.db2.gz KFMDVJDDRCEPIC-CYBMUJFWSA-N 0 0 376.275 4.666 50 0 GJAARN Cc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)C(C)C ZINC000033320650 570977159 /nfs/dbraw/zinc/97/71/59/570977159.db2.gz FVUKPOPVLWJROU-UHFFFAOYSA-N 0 0 382.895 4.613 50 0 GJAARN COc1cc(OC)c(NC(=O)N2CCC[C@H]2c2ccccc2F)cc1Cl ZINC000046018525 570978043 /nfs/dbraw/zinc/97/80/43/570978043.db2.gz ZEIVJNBYXJCHQQ-INIZCTEOSA-N 0 0 378.831 4.865 50 0 GJAARN COc1ccccc1CC(=O)N[C@@H](c1nc2ccccc2n1C(C)C)C(C)C ZINC000252510044 570979033 /nfs/dbraw/zinc/97/90/33/570979033.db2.gz ZAPYDWQALQXMDE-JOCHJYFZSA-N 0 0 379.504 4.682 50 0 GJAARN COc1cc2c(cc1NC(=O)NCCc1ccc(O)cc1)oc1ccccc12 ZINC000083925482 570980312 /nfs/dbraw/zinc/98/03/12/570980312.db2.gz CVORPRCHAMOUED-UHFFFAOYSA-N 0 0 376.412 4.664 50 0 GJAARN O=C(NCc1cccc2ccccc21)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585148105 570981324 /nfs/dbraw/zinc/98/13/24/570981324.db2.gz JMYKQXWMMFDVGS-QFIPXVFZSA-N 0 0 386.451 4.633 50 0 GJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccnn1S(=O)(=O)c1ccccc1 ZINC000001402526 570982548 /nfs/dbraw/zinc/98/25/48/570982548.db2.gz HEJFANYCHUZBEM-GFCCVEGCSA-N 0 0 397.283 4.567 50 0 GJAARN C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(-c2cncnc2)cc1 ZINC000170646457 570983268 /nfs/dbraw/zinc/98/32/68/570983268.db2.gz DXWBUMYBLUVEFI-CYBMUJFWSA-N 0 0 375.457 4.636 50 0 GJAARN COCCNC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000004778161 570985364 /nfs/dbraw/zinc/98/53/64/570985364.db2.gz AZFSYOCTBCQMAC-UHFFFAOYSA-N 0 0 398.466 4.732 50 0 GJAARN Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(-c2ccccc2F)s1 ZINC000116688883 570986594 /nfs/dbraw/zinc/98/65/94/570986594.db2.gz LPJOFUMQXVUPMN-AREMUKBSSA-N 0 0 387.501 4.993 50 0 GJAARN O=C(CSc1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000023221235 570987499 /nfs/dbraw/zinc/98/74/99/570987499.db2.gz SRTIOEQSYWYFHE-HNNXBMFYSA-N 0 0 386.860 4.996 50 0 GJAARN Cc1ccc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)c1 ZINC000004784287 570988485 /nfs/dbraw/zinc/98/84/85/570988485.db2.gz RLCOGUKMXBFSJO-SANMLTNESA-N 0 0 399.490 4.619 50 0 GJAARN Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000084023013 570990681 /nfs/dbraw/zinc/99/06/81/570990681.db2.gz IQVJVKIMPUVYOC-SSDOTTSWSA-N 0 0 385.367 4.542 50 0 GJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000084028866 570991228 /nfs/dbraw/zinc/99/12/28/570991228.db2.gz JTQXDJDCBQEWCE-UHFFFAOYSA-N 0 0 393.874 4.665 50 0 GJAARN COc1ccc([C@H](C(C)C)N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000252537456 570991554 /nfs/dbraw/zinc/99/15/54/570991554.db2.gz LFNZFQWJEJADRW-FQEVSTJZSA-N 0 0 376.460 4.531 50 0 GJAARN C[C@@H](Nc1cccc2c1OCCO2)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000158222162 570992477 /nfs/dbraw/zinc/99/24/77/570992477.db2.gz FJVWGTPSGVCBNX-SNVBAGLBSA-N 0 0 392.242 4.988 50 0 GJAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](c3cccs3)C(C)(C)C)c12 ZINC000084066676 570993380 /nfs/dbraw/zinc/99/33/80/570993380.db2.gz BKHSUNAWUYIBFY-GOSISDBHSA-N 0 0 382.533 4.733 50 0 GJAARN Nc1c2cc3c(nc2sc1C(=O)C12CC4CC(CC(C4)C1)C2)C1CCN3CC1 ZINC000004794700 570993415 /nfs/dbraw/zinc/99/34/15/570993415.db2.gz UWWWMUNSQSGNCY-UHFFFAOYSA-N 0 0 393.556 4.975 50 0 GJAARN COc1cccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)c1 ZINC000004794721 570993488 /nfs/dbraw/zinc/99/34/88/570993488.db2.gz AZAVCIFFYFPDDW-UHFFFAOYSA-N 0 0 377.492 4.559 50 0 GJAARN O=C1c2ccccc2N[C@@H](c2ccc(CSC(F)F)o2)N1c1ccncc1 ZINC000054702475 570997791 /nfs/dbraw/zinc/99/77/91/570997791.db2.gz CJVCLOPSJAOSIM-QGZVFWFLSA-N 0 0 387.411 4.902 50 0 GJAARN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc3ccccc3c2O)n1 ZINC000170655727 571000187 /nfs/dbraw/zinc/00/01/87/571000187.db2.gz OXKPOGMWDFRFFW-UHFFFAOYSA-N 0 0 397.478 4.795 50 0 GJAARN COc1ccc(NC(=O)Cn2c(Cc3cccc(C)c3)nc3ccccc32)cc1 ZINC000037397394 571004121 /nfs/dbraw/zinc/00/41/21/571004121.db2.gz SYYUZMDWBKVHQW-UHFFFAOYSA-N 0 0 385.467 4.583 50 0 GJAARN Cc1cc2nc(Cc3ccccc3F)n([C@@H](C)C(=O)NCC(C)C)c2cc1C ZINC000037397825 571005515 /nfs/dbraw/zinc/00/55/15/571005515.db2.gz XAONJZWIXCCWMR-KRWDZBQOSA-N 0 0 381.495 4.716 50 0 GJAARN COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1OC(F)F ZINC000012752630 571005985 /nfs/dbraw/zinc/00/59/85/571005985.db2.gz AYCHCTGJTUQQKH-UHFFFAOYSA-N 0 0 383.416 4.577 50 0 GJAARN CCCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000004910121 571006408 /nfs/dbraw/zinc/00/64/08/571006408.db2.gz BAIGATCOCFFBJD-UHFFFAOYSA-N 0 0 379.460 4.526 50 0 GJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cc(Cl)ccc1OC ZINC000045967408 571008126 /nfs/dbraw/zinc/00/81/26/571008126.db2.gz JXDVRWXYMAMNCU-UHFFFAOYSA-N 0 0 399.878 4.950 50 0 GJAARN COc1c(C)cnc(COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1C ZINC000045995299 571009490 /nfs/dbraw/zinc/00/94/90/571009490.db2.gz QCHVOTGXYLKYJI-UHFFFAOYSA-N 0 0 388.471 4.637 50 0 GJAARN O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)NC1CCCC1 ZINC000046022517 571012995 /nfs/dbraw/zinc/01/29/95/571012995.db2.gz CSQKWNCKNYXJNX-UHFFFAOYSA-N 0 0 389.590 4.792 50 0 GJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c(Cl)c1 ZINC000046045572 571014535 /nfs/dbraw/zinc/01/45/35/571014535.db2.gz XYUYNXJCDCTJIJ-QGZVFWFLSA-N 0 0 384.907 4.756 50 0 GJAARN CCc1ccc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)cc1 ZINC000046056928 571017018 /nfs/dbraw/zinc/01/70/18/571017018.db2.gz ZWOYGLDISJCJQE-LJQANCHMSA-N 0 0 387.483 4.669 50 0 GJAARN Cc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)c(C)s1 ZINC000046056880 571017099 /nfs/dbraw/zinc/01/70/99/571017099.db2.gz DVQCKWVJGQVSKM-GOSISDBHSA-N 0 0 393.512 4.785 50 0 GJAARN CCOc1ccc(OCC)c(NC(=O)c2ccc(OC(F)F)c(OCC)c2)c1 ZINC000012767519 571018956 /nfs/dbraw/zinc/01/89/56/571018956.db2.gz VPOHAYUKFTYJJK-UHFFFAOYSA-N 0 0 395.402 4.736 50 0 GJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000046076449 571020227 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/nfs/dbraw/zinc/19/92/81/212199281.db2.gz VFNLGLXZDFECBS-UHFFFAOYSA-N 0 0 389.382 4.617 50 0 GJAARN CC(C)OC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950698 212198637 /nfs/dbraw/zinc/19/86/37/212198637.db2.gz VRFHGMNILWCUMR-UHFFFAOYSA-N 0 0 388.803 4.569 50 0 GJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(Cl)c1C ZINC000000949591 212198421 /nfs/dbraw/zinc/19/84/21/212198421.db2.gz JLXJGYAJPNMRHF-UHFFFAOYSA-N 0 0 398.846 4.904 50 0 GJAARN Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl ZINC000000951166 212197731 /nfs/dbraw/zinc/19/77/31/212197731.db2.gz RDLCSCAOWCPGFC-UHFFFAOYSA-N 0 0 390.826 4.701 50 0 GJAARN CCOc1ccc(/C=C/C(=O)Nc2nnc(C(CC)CC)s2)cc1OC ZINC000000937392 212197251 /nfs/dbraw/zinc/19/72/51/212197251.db2.gz OIUZPRHMNBNBAN-PKNBQFBNSA-N 0 0 375.494 4.501 50 0 GJAARN CCOc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)cc(OCC)c1OCC ZINC000000917712 212196059 /nfs/dbraw/zinc/19/60/59/212196059.db2.gz UFACLJRESPPGHI-UHFFFAOYSA-N 0 0 398.503 4.735 50 0 GJAARN Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Nc3ccccc3C(=O)N2)c1 ZINC000009639056 212195094 /nfs/dbraw/zinc/19/50/94/212195094.db2.gz GYECQNVATXWDFG-XMMPIXPASA-N 0 0 394.478 4.761 50 0 GJAARN Cc1sc2ncnc(OCc3cc(=O)oc4cc(C)c(Cl)cc34)c2c1C ZINC000009550183 212193118 /nfs/dbraw/zinc/19/31/18/212193118.db2.gz GLMNWDHFYTYPHS-UHFFFAOYSA-N 0 0 386.860 4.955 50 0 GJAARN CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000000855414 212190468 /nfs/dbraw/zinc/19/04/68/212190468.db2.gz ABJQJELEIHRWQH-UHFFFAOYSA-N 0 0 396.493 4.637 50 0 GJAARN O=C(COc1ccccc1Cl)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000000848361 212188963 /nfs/dbraw/zinc/18/89/63/212188963.db2.gz JSQVBOGWUVBQKL-UHFFFAOYSA-N 0 0 376.840 4.544 50 0 GJAARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1coc2ccccc2c1=O ZINC000009434209 212187795 /nfs/dbraw/zinc/18/77/95/212187795.db2.gz BXVXJTSLNMBFDF-UHFFFAOYSA-N 0 0 381.391 4.589 50 0 GJAARN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 ZINC000000900990 212194009 /nfs/dbraw/zinc/19/40/09/212194009.db2.gz 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/nfs/dbraw/zinc/17/75/59/212177559.db2.gz GPEMBIDOBMVISP-SNVBAGLBSA-N 0 0 383.662 4.638 50 0 GJAARN CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)Nc2ccccc2)c1 ZINC000000713709 212177044 /nfs/dbraw/zinc/17/70/44/212177044.db2.gz VSKRBNAVDVPQNX-UHFFFAOYSA-N 0 0 395.503 4.908 50 0 GJAARN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000000711062 212176537 /nfs/dbraw/zinc/17/65/37/212176537.db2.gz ZKVAANVQUKOPQC-UHFFFAOYSA-N 0 0 381.225 4.899 50 0 GJAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2cccc(F)c2)cc1 ZINC000000708610 212176690 /nfs/dbraw/zinc/17/66/90/212176690.db2.gz VSJALCPIYLVADA-CPNJWEJPSA-N 0 0 380.444 4.605 50 0 GJAARN Cc1nn(S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1Sc1ccccc1 ZINC000000753108 212179431 /nfs/dbraw/zinc/17/94/31/212179431.db2.gz FCWAFDRQFXZWMQ-UHFFFAOYSA-N 0 0 386.542 4.813 50 0 GJAARN Cc1c(C)c(CSc2nccn2C)c(C)c(C)c1CSc1nccn1C ZINC000000673272 212171863 /nfs/dbraw/zinc/17/18/63/212171863.db2.gz BRAKDVJCMWEMMK-UHFFFAOYSA-N 0 0 386.590 4.972 50 0 GJAARN CCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000000663833 212170785 /nfs/dbraw/zinc/17/07/85/212170785.db2.gz JZUOIBKPRZZXJN-UHFFFAOYSA-N 0 0 390.435 4.704 50 0 GJAARN Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000000687271 212174864 /nfs/dbraw/zinc/17/48/64/212174864.db2.gz QLRYSESRNSHABV-CPNJWEJPSA-N 0 0 391.858 4.845 50 0 GJAARN COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 ZINC000000677543 212173286 /nfs/dbraw/zinc/17/32/86/212173286.db2.gz UHQSIQGEHJXZEZ-RNCFNFMXSA-N 0 0 388.316 4.553 50 0 GJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(OC)c1 ZINC000000676365 212172678 /nfs/dbraw/zinc/17/26/78/212172678.db2.gz IKUWHIANCIHOTM-UHFFFAOYSA-N 0 0 399.443 4.992 50 0 GJAARN O=C(NC(=S)Nc1cccc(Br)c1)c1cccc2ccccc21 ZINC000000625586 212166070 /nfs/dbraw/zinc/16/60/70/212166070.db2.gz RDUQJXKEOGTRAT-UHFFFAOYSA-N 0 0 385.286 4.729 50 0 GJAARN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc(O)cc1 ZINC000000625898 212166054 /nfs/dbraw/zinc/16/60/54/212166054.db2.gz 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/nfs/dbraw/zinc/16/83/34/212168334.db2.gz JVEPJCIBNMEZTL-UHFFFAOYSA-N 0 0 390.826 4.701 50 0 GJAARN CCCSc1nnc2c(n1)O[C@H](/C=C\c1cccs1)Nc1ccccc1-2 ZINC000034859890 212163219 /nfs/dbraw/zinc/16/32/19/212163219.db2.gz ADFWUSWYOMGNBV-ZBTGYSDGSA-N 0 0 382.514 4.946 50 0 GJAARN CCCCNc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000009174503 212164375 /nfs/dbraw/zinc/16/43/75/212164375.db2.gz BAGHRIQEVLUANN-UHFFFAOYSA-N 0 0 391.349 4.788 50 0 GJAARN CC(C)C(=O)N1CCc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C1 ZINC000009035928 212160383 /nfs/dbraw/zinc/16/03/83/212160383.db2.gz PPVHTZMCLZNESE-UHFFFAOYSA-N 0 0 391.298 4.786 50 0 GJAARN COc1ccc(-c2nc(CC(=O)OC/C=C\c3ccccc3)cs2)cc1OC ZINC000096449087 212155987 /nfs/dbraw/zinc/15/59/87/212155987.db2.gz FQQQPAVYJCNOOO-TWGQIWQCSA-N 0 0 395.480 4.626 50 0 GJAARN COc1cc(NC(=O)/C=C\c2ccc(Oc3cccnc3)c(F)c2)cc(OC)c1 ZINC000096298166 212153957 /nfs/dbraw/zinc/15/39/57/212153957.db2.gz KHBFALFVQLAHIR-VURMDHGXSA-N 0 0 394.402 4.682 50 0 GJAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003598909 212145431 /nfs/dbraw/zinc/14/54/31/212145431.db2.gz ZSTYPPLWBANRAT-UHFFFAOYSA-N 0 0 387.391 4.603 50 0 biogenic GJAARN COc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3)ccc2c1=O ZINC000001448085 212144568 /nfs/dbraw/zinc/14/45/68/212144568.db2.gz JWKFEXTUPVCQDS-UHFFFAOYSA-N 0 0 388.375 4.813 50 0 biogenic GJAARN CC(C)(C)OC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001447911 212144139 /nfs/dbraw/zinc/14/41/39/212144139.db2.gz RETNCDAROAPTAK-UHFFFAOYSA-N 0 0 386.831 4.834 50 0 biogenic GJAARN Cc1nc(-c2ccccc2)c(C(=O)NCCCn2ncc3ccc(C)cc32)s1 ZINC000257173420 212139860 /nfs/dbraw/zinc/13/98/60/212139860.db2.gz MNYLZSHTHUPNSL-UHFFFAOYSA-N 0 0 390.512 4.597 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253473410 212136744 /nfs/dbraw/zinc/13/67/44/212136744.db2.gz UUDYCCIXDXYKAZ-UHFFFAOYSA-N 0 0 381.259 4.507 50 0 GJAARN CCN(C(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC000068741454 212135262 /nfs/dbraw/zinc/13/52/62/212135262.db2.gz 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/nfs/dbraw/zinc/26/10/53/206261053.db2.gz SUEJHRFXCBQDJZ-UHFFFAOYSA-N 0 0 378.472 4.543 50 0 GJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc(OCC2CCOCC2)nc1 ZINC000253404206 206283344 /nfs/dbraw/zinc/28/33/44/206283344.db2.gz QVXJSVSSWQIWEF-UHFFFAOYSA-N 0 0 388.467 4.806 50 0 GJAARN Fc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 ZINC000263617733 206289766 /nfs/dbraw/zinc/28/97/66/206289766.db2.gz PJNIYWHJZLVEEV-SFHVURJKSA-N 0 0 396.809 4.664 50 0 GJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)C(C)(C)C)cc21 ZINC000000623845 206290292 /nfs/dbraw/zinc/29/02/92/206290292.db2.gz FURGOVFGFKNQCU-UHFFFAOYSA-N 0 0 383.238 4.632 50 0 GJAARN Clc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccccc2)OC3)n1 ZINC000263619470 206291162 /nfs/dbraw/zinc/29/11/62/206291162.db2.gz YUHXFSJEMDTZSZ-SFHVURJKSA-N 0 0 378.819 4.525 50 0 GJAARN COc1ccccc1-c1coc2c(ccc3c2CN(Cc2ccccc2)CO3)c1=O ZINC000013684573 206294254 /nfs/dbraw/zinc/29/42/54/206294254.db2.gz LIBSUWHJYYGRFQ-UHFFFAOYSA-N 0 0 399.446 4.821 50 0 biogenic GJAARN Nc1nc(COC(=O)/C=C\c2ccc(-c3ccccc3)s2)nc2ccccc12 ZINC000096758973 206301299 /nfs/dbraw/zinc/30/12/99/206301299.db2.gz ZZTUISFDLXDWBU-QBFSEMIESA-N 0 0 387.464 4.697 50 0 GJAARN O=C1S/C(=C/c2cccs2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F ZINC000096936334 206301412 /nfs/dbraw/zinc/30/14/12/206301412.db2.gz CLCMNTVAMHWLJQ-XBXARRHUSA-N 0 0 391.342 4.680 50 0 GJAARN Fc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000097087237 206301492 /nfs/dbraw/zinc/30/14/92/206301492.db2.gz OKBRIPFKHKPEDI-GOSISDBHSA-N 0 0 396.809 4.664 50 0 GJAARN COC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 ZINC000097035632 206301952 /nfs/dbraw/zinc/30/19/52/206301952.db2.gz MNHYWYDDRWDYBR-CJLVFECKSA-N 0 0 381.435 4.648 50 0 GJAARN Cc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)s1 ZINC000097003018 206302665 /nfs/dbraw/zinc/30/26/65/206302665.db2.gz XMGOHQHONOSBAE-OQLLNIDSSA-N 0 0 389.933 4.883 50 0 GJAARN Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3C(C)C)s2)no1 ZINC000009207040 206307885 /nfs/dbraw/zinc/30/78/85/206307885.db2.gz 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/nfs/dbraw/zinc/31/31/68/206313168.db2.gz ZJCJAMXAMZKTDN-UHFFFAOYSA-N 0 0 382.183 4.666 50 0 GJAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)cc1 ZINC000000658856 206313725 /nfs/dbraw/zinc/31/37/25/206313725.db2.gz MGYMACHHBGUJIX-UHFFFAOYSA-N 0 0 378.428 4.924 50 0 GJAARN COc1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)cc1 ZINC000000665054 206314266 /nfs/dbraw/zinc/31/42/66/206314266.db2.gz SSENPVUSDGAQLB-UHFFFAOYSA-N 0 0 394.540 4.890 50 0 GJAARN O=C(COc1ccccc1Br)Nc1cc(Cl)cc(Cl)c1 ZINC000000668776 206314527 /nfs/dbraw/zinc/31/45/27/206314527.db2.gz DYNNAKDTJMMDQZ-UHFFFAOYSA-N 0 0 375.049 4.773 50 0 GJAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(=O)OC)C1 ZINC000000673074 206315011 /nfs/dbraw/zinc/31/50/11/206315011.db2.gz DDXJITIZXXEGJW-SVTZGKHISA-N 0 0 387.476 4.841 50 0 GJAARN O=S(=O)(Nc1ccccc1C1=NCCc2ccccc21)c1ccc(Cl)cc1 ZINC000000676021 206315326 /nfs/dbraw/zinc/31/53/26/206315326.db2.gz CQWZRPAIUHNKCY-UHFFFAOYSA-N 0 0 396.899 4.534 50 0 GJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cccnc1Cl)CCCCC2 ZINC000000671423 206315564 /nfs/dbraw/zinc/31/55/64/206315564.db2.gz MMYXISBEZHIFBM-UHFFFAOYSA-N 0 0 392.908 4.883 50 0 GJAARN CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 ZINC000000673697 206316019 /nfs/dbraw/zinc/31/60/19/206316019.db2.gz FGIMVWOJUVYPMH-UHFFFAOYSA-N 0 0 391.309 4.621 50 0 GJAARN COc1cc(OC)c(NC(=O)COc2cc(C)ccc2C(C)C)cc1Cl ZINC000000683134 206316958 /nfs/dbraw/zinc/31/69/58/206316958.db2.gz ILNIIMWYTVHPNL-UHFFFAOYSA-N 0 0 377.868 4.807 50 0 GJAARN Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 ZINC000000705088 206317622 /nfs/dbraw/zinc/31/76/22/206317622.db2.gz APYLXKHXELWCSX-UHFFFAOYSA-N 0 0 383.420 4.628 50 0 GJAARN O=C(COc1ccc(Br)cc1Cl)Oc1ccc(Cl)cc1 ZINC000000708526 206317689 /nfs/dbraw/zinc/31/76/89/206317689.db2.gz ZDSWPSUEWQDBQC-UHFFFAOYSA-N 0 0 376.033 4.740 50 0 GJAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3ccccc3)cc1)CCCC2 ZINC000000705464 206317792 /nfs/dbraw/zinc/31/77/92/206317792.db2.gz WZZQCDCKEAYPPR-UHFFFAOYSA-N 0 0 376.481 4.645 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)oc3c2)cc1 ZINC000000722847 206318603 /nfs/dbraw/zinc/31/86/03/206318603.db2.gz SGSWPASFNNSANG-UHFFFAOYSA-N 0 0 382.416 4.743 50 0 GJAARN COc1ccc(C(=O)N[C@H](Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000787680 206321098 /nfs/dbraw/zinc/32/10/98/206321098.db2.gz QMHLSTUDRCXMAA-INIZCTEOSA-N 0 0 387.694 4.542 50 0 GJAARN COc1ccc(C(=O)N[C@@H](Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000787678 206322177 /nfs/dbraw/zinc/32/21/77/206322177.db2.gz QMHLSTUDRCXMAA-MRXNPFEDSA-N 0 0 387.694 4.542 50 0 GJAARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000000814037 206324313 /nfs/dbraw/zinc/32/43/13/206324313.db2.gz LKFYDZYHIBLKMS-UHFFFAOYSA-N 0 0 380.256 4.814 50 0 GJAARN CCOC(=O)c1cccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1 ZINC000000839153 206326480 /nfs/dbraw/zinc/32/64/80/206326480.db2.gz SAHLEMYTDYOGLQ-UHFFFAOYSA-N 0 0 384.819 4.732 50 0 GJAARN CC[C@@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000000848716 206328081 /nfs/dbraw/zinc/32/80/81/206328081.db2.gz BEJWZWWMCRMQNA-SNVBAGLBSA-N 0 0 396.800 4.597 50 0 GJAARN COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1Cl ZINC000000866283 206329042 /nfs/dbraw/zinc/32/90/42/206329042.db2.gz WFZFXFHYEKENNP-UHFFFAOYSA-N 0 0 389.904 4.729 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc3ccccc32)NC(=O)N1 ZINC000000862492 206329700 /nfs/dbraw/zinc/32/97/00/206329700.db2.gz UZFPXJJOFXGMLQ-FQEVSTJZSA-N 0 0 391.858 4.760 50 0 GJAARN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000000871594 206330273 /nfs/dbraw/zinc/33/02/73/206330273.db2.gz LCQVRNLJPLTZRY-AYIBLLACSA-N 0 0 393.486 4.643 50 0 GJAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000000882109 206330356 /nfs/dbraw/zinc/33/03/56/206330356.db2.gz BVNAYILIMRRMMO-UHFFFAOYSA-N 0 0 387.464 4.930 50 0 GJAARN Cc1ccc(-c2nnc([C@@H](C)N(C)CC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 ZINC000009052400 206306466 /nfs/dbraw/zinc/30/64/66/206306466.db2.gz IZYORRJFMOTMIB-GOSISDBHSA-N 0 0 392.503 4.602 50 0 GJAARN CCCCc1nnc(-c2cc3ccccc3n2CC(=O)OCc2ccccc2)o1 ZINC000009651431 206334606 /nfs/dbraw/zinc/33/46/06/206334606.db2.gz YBGGLRDFHLONSW-UHFFFAOYSA-N 0 0 389.455 4.777 50 0 GJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O ZINC000000940012 206335501 /nfs/dbraw/zinc/33/55/01/206335501.db2.gz QVQAUTOMDLNHHT-OAHLLOKOSA-N 0 0 382.412 4.533 50 0 GJAARN Cc1cc(C)c(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(C)c1 ZINC000000945202 206335637 /nfs/dbraw/zinc/33/56/37/206335637.db2.gz ABEHYBQIOKJIQE-UHFFFAOYSA-N 0 0 386.245 4.733 50 0 GJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000000944098 206335863 /nfs/dbraw/zinc/33/58/63/206335863.db2.gz JQDQOCDXPUSQIC-AWEZNQCLSA-N 0 0 385.485 4.757 50 0 aggregator GJAARN Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(Br)c1 ZINC000000942629 206335890 /nfs/dbraw/zinc/33/58/90/206335890.db2.gz QXPNYVXVJGVWMB-UHFFFAOYSA-N 0 0 388.183 4.794 50 0 GJAARN CCc1ccc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 ZINC000000950683 206336793 /nfs/dbraw/zinc/33/67/93/206336793.db2.gz CEBFPYADDRJWPY-UHFFFAOYSA-N 0 0 376.364 4.960 50 0 GJAARN CC(C)c1nnc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)s1 ZINC000000955048 206337542 /nfs/dbraw/zinc/33/75/42/206337542.db2.gz MORKNXSVCZVVOJ-JLHYYAGUSA-N 0 0 379.485 4.892 50 0 GJAARN Cc1ccc(C(=O)c2c3c(sc2NC(=O)c2ccncc2)CCCC3)cc1 ZINC000000976812 206338092 /nfs/dbraw/zinc/33/80/92/206338092.db2.gz FDEQVSMQTOESII-UHFFFAOYSA-N 0 0 376.481 4.814 50 0 GJAARN COc1ccc(Cc2nnc(Nc3ccccc3)s2)cc1Br ZINC000000985741 206339028 /nfs/dbraw/zinc/33/90/28/206339028.db2.gz QENOTYYZSDMQNZ-UHFFFAOYSA-N 0 0 376.279 4.644 50 0 GJAARN O=C(COc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000000993051 206339295 /nfs/dbraw/zinc/33/92/95/206339295.db2.gz GDGVSOXPYHIBIS-UHFFFAOYSA-N 0 0 383.806 4.993 50 0 GJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H](CC)Oc1ccccc1 ZINC000000995611 206339636 /nfs/dbraw/zinc/33/96/36/206339636.db2.gz FZUULAUDPHYQLK-MRXNPFEDSA-N 0 0 375.490 4.592 50 0 GJAARN COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000000992987 206340197 /nfs/dbraw/zinc/34/01/97/206340197.db2.gz BERFVGIJAKLHIG-INIZCTEOSA-N 0 0 375.424 4.598 50 0 GJAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000001002206 206340547 /nfs/dbraw/zinc/34/05/47/206340547.db2.gz FZJCSGYVCDORSZ-QGZVFWFLSA-N 0 0 397.906 4.916 50 0 GJAARN COC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1-c1cc(C)ccc1C ZINC000001001934 206340633 /nfs/dbraw/zinc/34/06/33/206340633.db2.gz DPGVRDZKQGDSDK-UHFFFAOYSA-N 0 0 380.469 4.774 50 0 GJAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1 ZINC000000997089 206341329 /nfs/dbraw/zinc/34/13/29/206341329.db2.gz ISZNJNPKBIUFDY-UHFFFAOYSA-N 0 0 394.858 4.918 50 0 GJAARN Cc1noc(-c2ccccc2)c1NC(=O)NCc1c(C)onc1-c1ccccc1 ZINC000001025384 206341976 /nfs/dbraw/zinc/34/19/76/206341976.db2.gz DFPXHDNAOILLPT-UHFFFAOYSA-N 0 0 388.427 4.935 50 0 GJAARN COc1ccc(Oc2cccc(Cl)c2CNC(=O)c2ccccc2N)cc1 ZINC000001024370 206342340 /nfs/dbraw/zinc/34/23/40/206342340.db2.gz KVFNVWZGYGPTEO-UHFFFAOYSA-N 0 0 382.847 4.653 50 0 GJAARN O=C(CSc1nccc(-c2cccs2)n1)Nc1ccc(F)c(Cl)c1 ZINC000001032580 206343794 /nfs/dbraw/zinc/34/37/94/206343794.db2.gz DCETZVLIFFPCOL-UHFFFAOYSA-N 0 0 379.869 4.728 50 0 GJAARN CSc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001039888 206345041 /nfs/dbraw/zinc/34/50/41/206345041.db2.gz MFJYJVGXHSSLKF-UHFFFAOYSA-N 0 0 377.391 4.865 50 0 GJAARN FC(F)(F)Oc1ccc(-c2nnc(-c3cnccc3C(F)(F)F)o2)cc1 ZINC000001047793 206345274 /nfs/dbraw/zinc/34/52/74/206345274.db2.gz CRVNSOQUGPGQSO-UHFFFAOYSA-N 0 0 375.228 4.716 50 0 GJAARN COc1ccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC ZINC000001088119 206350676 /nfs/dbraw/zinc/35/06/76/206350676.db2.gz HIWMJWGMWHGXGT-UHFFFAOYSA-N 0 0 389.495 4.585 50 0 GJAARN COc1ccc(-c2nc(SCc3ccccc3)n(C(=O)c3ccco3)n2)cc1 ZINC000001110265 206353118 /nfs/dbraw/zinc/35/31/18/206353118.db2.gz NFPNFPMHWSRYIX-UHFFFAOYSA-N 0 0 391.452 4.528 50 0 aggregator GJAARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000001111556 206353488 /nfs/dbraw/zinc/35/34/88/206353488.db2.gz GWCUOLNSROJGDU-UHFFFAOYSA-N 0 0 382.485 4.650 50 0 GJAARN COC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000001109034 206353523 /nfs/dbraw/zinc/35/35/23/206353523.db2.gz WWLZBSKZMBNWMW-UHFFFAOYSA-N 0 0 384.284 4.652 50 0 GJAARN COc1cc(OC)c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC ZINC000001110446 206354088 /nfs/dbraw/zinc/35/40/88/206354088.db2.gz DSCHQLRKBXOXPC-UHFFFAOYSA-N 0 0 378.428 4.708 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1cccc(Cl)c1 ZINC000001114496 206354122 /nfs/dbraw/zinc/35/41/22/206354122.db2.gz RISZBJRLDGTPJE-UHFFFAOYSA-N 0 0 375.255 4.929 50 0 GJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccco1 ZINC000001119117 206354357 /nfs/dbraw/zinc/35/43/57/206354357.db2.gz FNXWGLQWBZZNFX-UHFFFAOYSA-N 0 0 386.498 4.671 50 0 GJAARN CCc1cc(Br)ccc1NC(=S)Nc1ccc(OC)cc1OC ZINC000001120378 206354689 /nfs/dbraw/zinc/35/46/89/206354689.db2.gz QOHLXFAQHALRIT-UHFFFAOYSA-N 0 0 395.322 4.838 50 0 GJAARN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(Cl)c1 ZINC000001124518 206355692 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CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1 ZINC000020942527 207221025 /nfs/dbraw/zinc/22/10/25/207221025.db2.gz TWSHPLWILSHOJK-UHFFFAOYSA-N 0 0 378.472 4.876 50 0 GJAARN COc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1 ZINC000020978881 207221856 /nfs/dbraw/zinc/22/18/56/207221856.db2.gz RRBIJBRTTYCNGW-UHFFFAOYSA-N 0 0 386.473 4.583 50 0 GJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(O)c2)c(C)n1 ZINC000020995544 207223081 /nfs/dbraw/zinc/22/30/81/207223081.db2.gz QDTMIVJKAAYICR-DEOSSOPVSA-N 0 0 386.499 4.546 50 0 GJAARN COc1ccc([C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)n2cccc2)cc1 ZINC000020997596 207223181 /nfs/dbraw/zinc/22/31/81/207223181.db2.gz LFLQPPQWDRFAIU-IBGZPJMESA-N 0 0 384.863 4.777 50 0 GJAARN Cc1cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)ccc1Br ZINC000021105166 207225890 /nfs/dbraw/zinc/22/58/90/207225890.db2.gz UFALRLUDTPVWHU-GOSISDBHSA-N 0 0 398.260 4.512 50 0 GJAARN COc1ccc(-c2cc3nc(C)cc(Nc4ccc(F)cc4)n3n2)cc1OC ZINC000021150295 207226766 /nfs/dbraw/zinc/22/67/66/207226766.db2.gz 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CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1 ZINC000021795414 207238710 /nfs/dbraw/zinc/23/87/10/207238710.db2.gz IPTHAFBQDVOQLV-UHFFFAOYSA-N 0 0 390.491 4.801 50 0 GJAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5ccccc5)nn4cnc32)cc1 ZINC000021801387 207238723 /nfs/dbraw/zinc/23/87/23/207238723.db2.gz RZQRMFGHIZEPAD-UHFFFAOYSA-N 0 0 383.455 4.751 50 0 GJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCCC2)cc1C ZINC000021886789 207240326 /nfs/dbraw/zinc/24/03/26/207240326.db2.gz IEGZDUJFAUDSGY-UHFFFAOYSA-N 0 0 391.519 4.918 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C)cc1 ZINC000021890513 207240925 /nfs/dbraw/zinc/24/09/25/207240925.db2.gz DHMJUDZEJGJCDN-INIZCTEOSA-N 0 0 389.455 4.763 50 0 GJAARN Cc1[nH]c2ccc(C(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)cc2c1C ZINC000022191897 207248134 /nfs/dbraw/zinc/24/81/34/207248134.db2.gz GTMHPEJITFCIBW-CYBMUJFWSA-N 0 0 382.533 4.725 50 0 GJAARN O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(CN2CCCCC2)cs1 ZINC000022288830 207250558 /nfs/dbraw/zinc/25/05/58/207250558.db2.gz 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C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000022914313 207262449 /nfs/dbraw/zinc/26/24/49/207262449.db2.gz CUXKYTFOCYWFKB-IRXDYDNUSA-N 0 0 396.922 4.830 50 0 GJAARN O=c1c2scc(-c3ccc(Cl)cc3)c2ncn1CCOc1ccccc1 ZINC000023126803 207270565 /nfs/dbraw/zinc/27/05/65/207270565.db2.gz ZCISDXGAVFXWGZ-UHFFFAOYSA-N 0 0 382.872 4.857 50 0 GJAARN CCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1 ZINC000023316374 207272891 /nfs/dbraw/zinc/27/28/91/207272891.db2.gz BETDNHFKUZUTBB-UHFFFAOYSA-N 0 0 381.451 4.960 50 0 GJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4ccccc43)cc2)cc1 ZINC000024058232 207287367 /nfs/dbraw/zinc/28/73/67/207287367.db2.gz CFLOOMYHBVNESS-UHFFFAOYSA-N 0 0 391.452 4.531 50 0 GJAARN Cc1nnc(-c2ccccc2-c2cccc(-c3ccn(C[C@@H]4CCCO4)n3)c2)o1 ZINC000023479111 207277617 /nfs/dbraw/zinc/27/76/17/207277617.db2.gz LJZQYTIMTXFTFI-IBGZPJMESA-N 0 0 386.455 4.755 50 0 GJAARN CC(C)COc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 ZINC000024887370 207297307 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/nfs/dbraw/zinc/32/77/60/207327760.db2.gz MPQSPSFKQLCLCZ-PTFXAJSMSA-N 0 0 375.277 4.578 50 0 GJAARN CC(C)CCC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 ZINC000040128469 207345290 /nfs/dbraw/zinc/34/52/90/207345290.db2.gz NKOFFCVEHLYOJV-SFHVURJKSA-N 0 0 387.545 4.605 50 0 GJAARN O=C(Cc1nc(CSc2cc(F)ccc2F)cs1)NCc1ccccc1 ZINC000028189632 207335296 /nfs/dbraw/zinc/33/52/96/207335296.db2.gz OKFHRZZMSQVEFA-UHFFFAOYSA-N 0 0 390.480 4.573 50 0 GJAARN COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1Cl)c1ccccn1 ZINC000028293489 207339229 /nfs/dbraw/zinc/33/92/29/207339229.db2.gz SIZXWKUUDFXUTM-INIZCTEOSA-N 0 0 396.874 4.744 50 0 GJAARN Cc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2)cc(C)c1Cl ZINC000028291060 207339572 /nfs/dbraw/zinc/33/95/72/207339572.db2.gz MTRNKMMNBQXHDO-MRXNPFEDSA-N 0 0 383.879 4.608 50 0 GJAARN CCCOc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1OC ZINC000028286875 207339608 /nfs/dbraw/zinc/33/96/08/207339608.db2.gz SZPFJBHFBXMHOX-UHFFFAOYSA-N 0 0 383.473 4.563 50 0 GJAARN 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UGBFQGSYGJQALN-UHFFFAOYSA-N 0 0 384.435 4.958 50 0 GJAARN O=C(CCc1csc2nc(-c3ccccc3)cn12)NCc1c(F)cccc1F ZINC000016848775 208800215 /nfs/dbraw/zinc/80/02/15/208800215.db2.gz RMHSQJDUBJGBIY-UHFFFAOYSA-N 0 0 397.450 4.590 50 0 GJAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NC1CCCCCC1 ZINC000020397494 208810320 /nfs/dbraw/zinc/81/03/20/208810320.db2.gz CRVRJSXFEAODEH-SFHVURJKSA-N 0 0 399.560 4.579 50 0 GJAARN O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000022204963 208834850 /nfs/dbraw/zinc/83/48/50/208834850.db2.gz AOKSARDXSZOHLZ-HNNXBMFYSA-N 0 0 392.113 4.556 50 0 GJAARN CN(Cc1ccccc1Br)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000023572202 208866308 /nfs/dbraw/zinc/86/63/08/208866308.db2.gz OQTLKMKCLQEULN-UHFFFAOYSA-N 0 0 378.697 4.793 50 0 GJAARN CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccccc2)c1 ZINC000001165162 220481040 /nfs/dbraw/zinc/48/10/40/220481040.db2.gz ZSDOPGCQKBEQLO-QHCPKHFHSA-N 0 0 387.435 4.734 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000025804202 208889927 /nfs/dbraw/zinc/88/99/27/208889927.db2.gz NCVWBZOBUNSDSZ-UHFFFAOYSA-N 0 0 394.298 4.744 50 0 GJAARN CCOC(=O)COc1ccc2c(c1)oc(C)c(-c1c(C)oc3ccccc31)c2=O ZINC000001508932 220498716 /nfs/dbraw/zinc/49/87/16/220498716.db2.gz ZAPBAOSTZKRJKF-UHFFFAOYSA-N 0 0 392.407 4.765 50 0 biogenic GJAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(C)c1)Nc1ccccc1-2 ZINC000002093097 220503289 /nfs/dbraw/zinc/50/32/89/220503289.db2.gz URLLMKCYMKUJRC-IBGZPJMESA-N 0 0 394.500 4.861 50 0 GJAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000026351801 208899605 /nfs/dbraw/zinc/89/96/05/208899605.db2.gz JLKHTGZKMSPNKL-UHFFFAOYSA-N 0 0 396.490 4.770 50 0 GJAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000027824454 208923465 /nfs/dbraw/zinc/92/34/65/208923465.db2.gz YSNIWDWXGBYDJA-GJZGRUSLSA-N 0 0 387.973 4.884 50 0 GJAARN CC(C)COC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 ZINC000002253101 220515620 /nfs/dbraw/zinc/51/56/20/220515620.db2.gz ZAQJJOITXPEMHU-UHFFFAOYSA-N 0 0 394.862 4.622 50 0 GJAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2CC)cc1 ZINC000002351651 220526250 /nfs/dbraw/zinc/52/62/50/220526250.db2.gz GTAGQTNTZUWENI-UHFFFAOYSA-N 0 0 384.505 4.631 50 0 GJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1C(F)(F)F ZINC000002359585 220526315 /nfs/dbraw/zinc/52/63/15/220526315.db2.gz RJPYWHTVISZHQB-UHFFFAOYSA-N 0 0 395.768 4.980 50 0 GJAARN COCCNc1nc(SCc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002368879 220527136 /nfs/dbraw/zinc/52/71/36/220527136.db2.gz VGIAYKWUIRZUJY-UHFFFAOYSA-N 0 0 385.558 4.921 50 0 GJAARN COc1ccc(OC)c([C@H]2CCCN2c2cc(C)c(Br)cn2)c1 ZINC000225518027 208956573 /nfs/dbraw/zinc/95/65/73/208956573.db2.gz HEOQJTJLXHRGPS-MRXNPFEDSA-N 0 0 377.282 4.511 50 0 GJAARN O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225508356 208956791 /nfs/dbraw/zinc/95/67/91/208956791.db2.gz CQSKGFBKFFRZCN-HXUWFJFHSA-N 0 0 384.464 4.683 50 0 GJAARN Cc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccccc2)cc1 ZINC000002435794 220533497 /nfs/dbraw/zinc/53/34/97/220533497.db2.gz KXOOMKQCLWWUCC-UHFFFAOYSA-N 0 0 395.462 4.769 50 0 GJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000002443798 220535373 /nfs/dbraw/zinc/53/53/73/220535373.db2.gz VIOLUUILROGECM-QHCPKHFHSA-N 0 0 388.854 4.604 50 0 GJAARN O=C(NCc1cccnc1-c1ccncc1)C(c1ccccc1)c1ccccc1 ZINC000225749229 208974006 /nfs/dbraw/zinc/97/40/06/208974006.db2.gz ZXLVUOSRFQZIOQ-UHFFFAOYSA-N 0 0 379.463 4.592 50 0 GJAARN COc1ccccc1CNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc21 ZINC000002694165 220552151 /nfs/dbraw/zinc/55/21/51/220552151.db2.gz ORJSUTCJZNMUPZ-UHFFFAOYSA-N 0 0 395.466 4.874 50 0 GJAARN CCCCN1c2ccccc2S(=O)(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000002713049 220553852 /nfs/dbraw/zinc/55/38/52/220553852.db2.gz BIMCEFDAQOMJOY-UHFFFAOYSA-N 0 0 378.881 4.584 50 0 GJAARN CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 ZINC000002706277 220554203 /nfs/dbraw/zinc/55/42/03/220554203.db2.gz NUWSJRSUVUVKLS-OAHLLOKOSA-N 0 0 385.562 4.857 50 0 GJAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000002782070 220564911 /nfs/dbraw/zinc/56/49/11/220564911.db2.gz RNOYFDVLUZKGFX-CYBMUJFWSA-N 0 0 381.369 4.886 50 0 GJAARN C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000032738418 208991093 /nfs/dbraw/zinc/99/10/93/208991093.db2.gz MHSQDIURIJZTJN-QGZVFWFLSA-N 0 0 384.439 4.551 50 0 GJAARN Cc1ccc(COc2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000033286734 208995325 /nfs/dbraw/zinc/99/53/25/208995325.db2.gz HQIWPABWUPCNKP-HAHDFKILSA-N 0 0 398.462 4.667 50 0 GJAARN COc1ccccc1N1C(=O)c2ccccc2C(=CNc2ccc(C)cc2C)C1=O ZINC000002998017 220594832 /nfs/dbraw/zinc/59/48/32/220594832.db2.gz REZNITIBNZELDL-HMMYKYKNSA-N 0 0 398.462 4.952 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1)Nc1ccccc1-2 ZINC000002916015 220582856 /nfs/dbraw/zinc/58/28/56/220582856.db2.gz JVMYDJVUXPAKGS-LJQANCHMSA-N 0 0 394.500 4.943 50 0 GJAARN Cc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2Cl)n1 ZINC000002917611 220583760 /nfs/dbraw/zinc/58/37/60/220583760.db2.gz MSQSWIIUBOKPBL-UHFFFAOYSA-N 0 0 389.933 4.575 50 0 GJAARN O=c1nc(SCc2nc3ccccc3s2)[nH]c2sc3c(c21)CCCC3 ZINC000003245410 220613734 /nfs/dbraw/zinc/61/37/34/220613734.db2.gz RXIQZEJRBRZQPH-UHFFFAOYSA-N 0 0 385.539 4.765 50 0 GJAARN CC(C)N(C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003237164 220613939 /nfs/dbraw/zinc/61/39/39/220613939.db2.gz HOFMQHYOSIYQBH-UHFFFAOYSA-N 0 0 387.479 4.881 50 0 GJAARN COc1ccc(-c2nnc(SCc3cccc(Br)c3)o2)cc1 ZINC000003364669 220635855 /nfs/dbraw/zinc/63/58/55/220635855.db2.gz RIXVVVMXJBHCKC-UHFFFAOYSA-N 0 0 377.263 4.800 50 0 GJAARN NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 ZINC000003405679 220638950 /nfs/dbraw/zinc/63/89/50/220638950.db2.gz XKNGIVBGJJMQLT-UHFFFAOYSA-N 0 0 399.519 4.843 50 0 GJAARN Cc1ccc(Nc2nnc(SCC(=O)N(C)C3CCCCC3)s2)cc1C ZINC000003285892 220621690 /nfs/dbraw/zinc/62/16/90/220621690.db2.gz DIELYKMDIRPJLU-UHFFFAOYSA-N 0 0 390.578 4.782 50 0 GJAARN CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000003421458 220643157 /nfs/dbraw/zinc/64/31/57/220643157.db2.gz FEWYVNXBGWJGMK-DHZHZOJOSA-N 0 0 395.402 4.622 50 0 GJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c1 ZINC000003559292 220655927 /nfs/dbraw/zinc/65/59/27/220655927.db2.gz RQHNAQAUKJAXPI-UHFFFAOYSA-N 0 0 380.425 4.826 50 0 GJAARN CCCN(C(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1ccc(C(C)C)cc1 ZINC000003662091 220663088 /nfs/dbraw/zinc/66/30/88/220663088.db2.gz FBLRGULFXRIMQA-UHFFFAOYSA-N 0 0 386.879 4.815 50 0 biogenic GJAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004033095 220673228 /nfs/dbraw/zinc/67/32/28/220673228.db2.gz VBKYUCOBCVNGMH-UHFFFAOYSA-N 0 0 396.372 4.976 50 0 GJAARN Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)c2ccccc2)c1 ZINC000004194476 220692687 /nfs/dbraw/zinc/69/26/87/220692687.db2.gz LHRQXTNQFTVUEW-UHFFFAOYSA-N 0 0 383.403 4.585 50 0 GJAARN COc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000004384089 220713904 /nfs/dbraw/zinc/71/39/04/220713904.db2.gz PQQXDHVAVGZRDU-UHFFFAOYSA-N 0 0 379.460 4.614 50 0 GJAARN COc1ccc(C)c2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc21 ZINC000004331157 220706403 /nfs/dbraw/zinc/70/64/03/220706403.db2.gz GTOFYQXYLRFVOQ-UHFFFAOYSA-N 0 0 397.283 4.938 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1c(F)cccc1F ZINC000004358666 220710334 /nfs/dbraw/zinc/71/03/34/220710334.db2.gz IAJHHVYKNCARSN-UHFFFAOYSA-N 0 0 376.403 4.508 50 0 GJAARN CC(C)N1c2ccccc2[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000004554687 220730576 /nfs/dbraw/zinc/73/05/76/220730576.db2.gz WJBHVZAQEQZEOM-RUZDIDTESA-N 0 0 385.463 4.569 50 0 GJAARN COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 ZINC000004679439 220745635 /nfs/dbraw/zinc/74/56/35/220745635.db2.gz DJPGEZQSVXGHSS-OVCLIPMQSA-N 0 0 386.451 4.908 50 0 GJAARN O=C(C1CCCCC1)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 ZINC000004732433 220756120 /nfs/dbraw/zinc/75/61/20/220756120.db2.gz UICYUEHMLXTHQZ-UHFFFAOYSA-N 0 0 395.894 4.826 50 0 GJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C ZINC000004778499 220764195 /nfs/dbraw/zinc/76/41/95/220764195.db2.gz OOHPCTQMOMBOQJ-TYJKZOGGSA-N 0 0 394.943 4.563 50 0 GJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 ZINC000004878600 220782432 /nfs/dbraw/zinc/78/24/32/220782432.db2.gz YFZRJQUUZHMQNQ-IJEWVQPXSA-N 0 0 390.578 4.623 50 0 GJAARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)N=C2SCC)cc1 ZINC000004882882 220782652 /nfs/dbraw/zinc/78/26/52/220782652.db2.gz FMEKCUWFYQTLOE-RGEXLXHISA-N 0 0 382.485 4.591 50 0 GJAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O ZINC000004910732 220789764 /nfs/dbraw/zinc/78/97/64/220789764.db2.gz WWPTZBOIJPEFAL-INIZCTEOSA-N 0 0 381.907 4.852 50 0 GJAARN CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 ZINC000004913182 220789771 /nfs/dbraw/zinc/78/97/71/220789771.db2.gz ZSSVRKRYHJCRLI-INIZCTEOSA-N 0 0 396.314 4.994 50 0 GJAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1ccccn1)C(=S)NC(C)(C)C ZINC000004920578 220792561 /nfs/dbraw/zinc/79/25/61/220792561.db2.gz QUXDZXXNYDRAHU-UHFFFAOYSA-N 0 0 394.588 4.897 50 0 GJAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCCC(C)C ZINC000004935484 220793652 /nfs/dbraw/zinc/79/36/52/220793652.db2.gz AQJUTKJEJGCDJJ-UHFFFAOYSA-N 0 0 398.938 4.761 50 0 GJAARN CCOc1ccccc1N(C)C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939383 220795190 /nfs/dbraw/zinc/79/51/90/220795190.db2.gz LCIAUPNVFOVFRR-UHFFFAOYSA-N 0 0 393.464 4.991 50 0 GJAARN COc1ccc(-c2cc(CCCC(=O)NCCc3ccc(Cl)cc3)no2)cc1 ZINC000004937990 220795679 /nfs/dbraw/zinc/79/56/79/220795679.db2.gz HJYOKUAYLVOYOT-UHFFFAOYSA-N 0 0 398.890 4.685 50 0 biogenic GJAARN Cc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1 ZINC000004937699 220795914 /nfs/dbraw/zinc/79/59/14/220795914.db2.gz PZXGTPZWVMQSEL-FCQUAONHSA-N 0 0 375.449 4.806 50 0 GJAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)Nc3cc(F)ccc3F)sc21 ZINC000005034026 220817190 /nfs/dbraw/zinc/81/71/90/220817190.db2.gz YHYUENPVCGLRMX-UHFFFAOYSA-N 0 0 387.386 4.971 50 0 GJAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 ZINC000005047181 220819145 /nfs/dbraw/zinc/81/91/45/220819145.db2.gz PEEFZWHLGWFFPV-HNNXBMFYSA-N 0 0 377.510 4.974 50 0 GJAARN O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccccc1Cl ZINC000005099314 220829959 /nfs/dbraw/zinc/82/99/59/220829959.db2.gz NZVUQDUXSCBUEH-UHFFFAOYSA-N 0 0 380.831 4.778 50 0 GJAARN C=C=Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000005234773 220847797 /nfs/dbraw/zinc/84/77/97/220847797.db2.gz LMRWWLQQWMPCML-AWEZNQCLSA-N 0 0 383.373 4.831 50 0 GJAARN Cc1sc2nc(C)nc(S[C@@H](C)C(=O)Nc3ccccc3F)c2c1C ZINC000005428946 220868585 /nfs/dbraw/zinc/86/85/85/220868585.db2.gz UDLOSANGBPWTNG-NSHDSACASA-N 0 0 375.494 4.875 50 0 GJAARN Cc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 ZINC000005533286 220879194 /nfs/dbraw/zinc/87/91/94/220879194.db2.gz VTFBWYMOGFAZAO-UHFFFAOYSA-N 0 0 375.284 4.918 50 0 GJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3cccnc3OCC)n2)c1C ZINC000005938541 220908268 /nfs/dbraw/zinc/90/82/68/220908268.db2.gz YZADDTMNCFAKTK-UHFFFAOYSA-N 0 0 384.505 4.684 50 0 GJAARN COc1ccccc1[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)OC ZINC000096384730 209013978 /nfs/dbraw/zinc/01/39/78/209013978.db2.gz AJJKWZQYBZHTKP-FQEVSTJZSA-N 0 0 387.907 4.664 50 0 GJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCc4ccccc4)cc3)ccc12 ZINC000006201239 220924050 /nfs/dbraw/zinc/92/40/50/220924050.db2.gz HRNVEPDOINMWOW-UHFFFAOYSA-N 0 0 399.446 4.610 50 0 GJAARN O=C(CSCc1ccccc1)N(Cc1cnc2ccccn12)c1ccccc1 ZINC000096102996 209008502 /nfs/dbraw/zinc/00/85/02/209008502.db2.gz GVCWPADIJFSFKM-UHFFFAOYSA-N 0 0 387.508 4.801 50 0 GJAARN CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OCC ZINC000006309295 220929044 /nfs/dbraw/zinc/92/90/44/220929044.db2.gz JYWKZQSNGARYED-CQSZACIVSA-N 0 0 395.421 4.923 50 0 GJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000239412441 209018424 /nfs/dbraw/zinc/01/84/24/209018424.db2.gz SRRCRVCMDTXHRV-UPVQGACJSA-N 0 0 388.442 5.467 50 0 GJAARN Cc1cc(COC(=O)c2ccc(-c3noc(C(F)F)n3)cc2)c2ccccc2n1 ZINC000242305013 209021955 /nfs/dbraw/zinc/02/19/55/209021955.db2.gz YUBCKYZVNQAZLV-UHFFFAOYSA-N 0 0 395.365 4.888 50 0 GJAARN O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000246077398 209025956 /nfs/dbraw/zinc/02/59/56/209025956.db2.gz JXDAYTOYPPGWCQ-NTDBWNAOSA-N 0 0 375.459 4.599 50 0 GJAARN COc1ccc(/C=C\c2nn3c(CSc4ccccc4)nnc3s2)cc1 ZINC000097466828 209015601 /nfs/dbraw/zinc/01/56/01/209015601.db2.gz LJLHTYBOOVKXNG-XFXZXTDPSA-N 0 0 380.498 4.657 50 0 GJAARN Cc1cccc(-c2nc3ccccc3c(N3CCN(c4ccccc4)CC3)n2)c1 ZINC000006720557 220953653 /nfs/dbraw/zinc/95/36/53/220953653.db2.gz YHDBEFDAODKHGM-UHFFFAOYSA-N 0 0 380.495 4.932 50 0 GJAARN CSc1nc2n(n1)[C@H](CC(C)C)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000006728697 220955131 /nfs/dbraw/zinc/95/51/31/220955131.db2.gz IFTUUXQMVDGJDP-CQSZACIVSA-N 0 0 391.928 4.579 50 0 GJAARN CC(C)Cc1nnc(NC(=O)c2ccccc2OCc2ccc(F)cc2)s1 ZINC000006790842 220961841 /nfs/dbraw/zinc/96/18/41/220961841.db2.gz FVSXQNGYBBHEDO-UHFFFAOYSA-N 0 0 385.464 4.707 50 0 GJAARN Cc1cc2occ(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c(C)c1 ZINC000006804263 220964065 /nfs/dbraw/zinc/96/40/65/220964065.db2.gz XHOKPTJJQKFJCJ-UHFFFAOYSA-N 0 0 382.891 4.594 50 0 GJAARN 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CC(C)CNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(F)c2)n1 ZINC000009622834 221087075 /nfs/dbraw/zinc/08/70/75/221087075.db2.gz OYNRYQGRWDECRE-UHFFFAOYSA-N 0 0 376.439 4.766 50 0 GJAARN Cc1c(C)n(-c2cc(C)ccn2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000009060894 221068883 /nfs/dbraw/zinc/06/88/83/221068883.db2.gz ZRNASKJZVXUKCG-UHFFFAOYSA-N 0 0 388.862 4.709 50 0 GJAARN CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000009071012 221068973 /nfs/dbraw/zinc/06/89/73/221068973.db2.gz BMFMQMSSHOWJOM-UHFFFAOYSA-N 0 0 387.892 4.602 50 0 GJAARN CCOc1ccc([C@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000010366729 221101648 /nfs/dbraw/zinc/10/16/48/221101648.db2.gz WNXHAZUXCXBCKH-KSFYIVLOSA-N 0 0 398.503 4.614 50 0 GJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000010402971 221102961 /nfs/dbraw/zinc/10/29/61/221102961.db2.gz RCSHQYSBZPXIJA-UHFFFAOYSA-N 0 0 377.473 4.696 50 0 GJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 ZINC000011027541 221109952 /nfs/dbraw/zinc/10/99/52/221109952.db2.gz VZOUMPMNHHCNTI-UHFFFAOYSA-N 0 0 381.524 4.894 50 0 GJAARN Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(Br)c1 ZINC000010958629 221109188 /nfs/dbraw/zinc/10/91/88/221109188.db2.gz GOFUXDOBDORSKV-UHFFFAOYSA-N 0 0 387.281 4.644 50 0 GJAARN Cc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(C(C)(C)C)cc3)c(=O)n12 ZINC000009615201 221088068 /nfs/dbraw/zinc/08/80/68/221088068.db2.gz PBQDRBWKNBLCNK-UHFFFAOYSA-N 0 0 391.496 4.767 50 0 GJAARN O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)Nc1ccccc1 ZINC000009667366 221088791 /nfs/dbraw/zinc/08/87/91/221088791.db2.gz YQCQVKBKDWGZCE-XMMPIXPASA-N 0 0 395.462 4.742 50 0 GJAARN O=C(NCc1cccn1Cc1ccc(F)cc1)Nc1cccc2c1CCCC2 ZINC000009722512 221090235 /nfs/dbraw/zinc/09/02/35/221090235.db2.gz VAAXQSJPKSLZHY-UHFFFAOYSA-N 0 0 377.463 4.876 50 0 GJAARN Cc1cc(C2=NNC(=NCc3ccco3)SC2)c(C)n1CCc1cccs1 ZINC000009744486 221091764 /nfs/dbraw/zinc/09/17/64/221091764.db2.gz NDKQCJGMGSCNOZ-UHFFFAOYSA-N 0 0 398.557 4.599 50 0 GJAARN C[C@H](CCCC(C)(C)O)NC(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000009846135 221092674 /nfs/dbraw/zinc/09/26/74/221092674.db2.gz DIXNWYMUONOGKZ-GFCCVEGCSA-N 0 0 381.929 4.600 50 0 GJAARN O=C(NCc1ccccc1)C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000009979416 221095160 /nfs/dbraw/zinc/09/51/60/221095160.db2.gz WYGVEEHJGOLUGJ-UHFFFAOYSA-N 0 0 398.506 4.522 50 0 GJAARN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2ccccc2c1 ZINC000010023905 221096104 /nfs/dbraw/zinc/09/61/04/221096104.db2.gz ULXLWJXCKSIHHY-UHFFFAOYSA-N 0 0 375.424 4.603 50 0 GJAARN COc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)cc1 ZINC000010213640 221097870 /nfs/dbraw/zinc/09/78/70/221097870.db2.gz UTINLLBKYJFDLL-UHFFFAOYSA-N 0 0 390.491 4.584 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000010303520 221100546 /nfs/dbraw/zinc/10/05/46/221100546.db2.gz XCDKRWLYGFIIGT-VQTJNVASSA-N 0 0 393.918 4.622 50 0 GJAARN Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)csc2n1 ZINC000011770846 221125298 /nfs/dbraw/zinc/12/52/98/221125298.db2.gz LEZACRVJCXZJGO-UHFFFAOYSA-N 0 0 394.431 4.515 50 0 GJAARN Cc1ccc(C(=O)N(Cc2cccc(OCC3(C)COC3)c2)C2CCCC2)cc1 ZINC000011880874 221135388 /nfs/dbraw/zinc/13/53/88/221135388.db2.gz LFIBUDMMIJBCCV-UHFFFAOYSA-N 0 0 393.527 4.995 50 0 GJAARN Cc1ccc(/C=C/C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000011179058 221112161 /nfs/dbraw/zinc/11/21/61/221112161.db2.gz DMXVVYAIKTZQMA-IZZDOVSWSA-N 0 0 399.244 4.564 50 0 GJAARN COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1N1CCCC1=O ZINC000011263184 221113232 /nfs/dbraw/zinc/11/32/32/221113232.db2.gz NTYBEWZYSWWPSR-UHFFFAOYSA-N 0 0 386.451 4.741 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000011903562 221135016 /nfs/dbraw/zinc/13/50/16/221135016.db2.gz JEJHZPLEBDLSJW-UHFFFAOYSA-N 0 0 399.560 4.626 50 0 GJAARN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000011513326 221116305 /nfs/dbraw/zinc/11/63/05/221116305.db2.gz FEGUBUJVGRPRRJ-UHFFFAOYSA-N 0 0 380.441 4.711 50 0 GJAARN CC[C@@H](C)c1ccc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000011473550 221116408 /nfs/dbraw/zinc/11/64/08/221116408.db2.gz ZWWDWYNLZVKLKT-OAHLLOKOSA-N 0 0 379.460 4.830 50 0 GJAARN CCOc1cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)nc(C)n1 ZINC000011613256 221117690 /nfs/dbraw/zinc/11/76/90/221117690.db2.gz OYUGQNFSUGIUGI-UHFFFAOYSA-N 0 0 382.851 4.833 50 0 GJAARN COc1ccc(Cl)cc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 ZINC000011620751 221119137 /nfs/dbraw/zinc/11/91/37/221119137.db2.gz YPAQNQYHYGEAIB-UHFFFAOYSA-N 0 0 394.302 4.653 50 0 GJAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1 ZINC000011667381 221119647 /nfs/dbraw/zinc/11/96/47/221119647.db2.gz CHFNIWLRHAVLQX-QGZVFWFLSA-N 0 0 389.455 4.589 50 0 GJAARN COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)cc1OC ZINC000011665127 221119685 /nfs/dbraw/zinc/11/96/85/221119685.db2.gz SHAIKGAYXMSDCZ-FQEVSTJZSA-N 0 0 382.504 4.544 50 0 GJAARN Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)no1 ZINC000011934108 221138198 /nfs/dbraw/zinc/13/81/98/221138198.db2.gz AFTMKDADSXRGPO-GOSISDBHSA-N 0 0 390.439 4.510 50 0 GJAARN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(C)c2C)cc1 ZINC000012027532 221143311 /nfs/dbraw/zinc/14/33/11/221143311.db2.gz VHMRTKUQMXJKBB-VWLOTQADSA-N 0 0 384.527 4.920 50 0 GJAARN O=C(CCC1CCN(C(=O)c2cccc(Cl)c2F)CC1)Nc1ccccc1 ZINC000012053270 221145884 /nfs/dbraw/zinc/14/58/84/221145884.db2.gz YISQXSRCYDDNRT-UHFFFAOYSA-N 0 0 388.870 4.750 50 0 GJAARN CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 ZINC000012062910 221146451 /nfs/dbraw/zinc/14/64/51/221146451.db2.gz OTSCWTFYRXGLNL-OAQYLSRUSA-N 0 0 391.467 4.845 50 0 GJAARN CC(=O)N[C@H](CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)c1cccs1 ZINC000012109056 221151134 /nfs/dbraw/zinc/15/11/34/221151134.db2.gz JLHFIWKAFFJGHO-CTDFXDFQSA-N 0 0 391.496 4.520 50 0 GJAARN Cc1ccc(OCc2cc(C(=O)N3CC[C@H](c4ccccc4F)C3)no2)cc1C ZINC000012112281 221151856 /nfs/dbraw/zinc/15/18/56/221151856.db2.gz XYLFJBAXBCHSFN-KRWDZBQOSA-N 0 0 394.446 4.639 50 0 GJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012195464 221165826 /nfs/dbraw/zinc/16/58/26/221165826.db2.gz VHXQCBDSNBJIGN-ISKFKSNPSA-N 0 0 386.451 4.946 50 0 GJAARN CCCOc1cc(Nc2ccc(NC(=O)c3ccc(OC)cc3)cc2)nc(C)n1 ZINC000012225544 221170857 /nfs/dbraw/zinc/17/08/57/221170857.db2.gz FQTGGEOIBGDOFQ-UHFFFAOYSA-N 0 0 392.459 4.578 50 0 GJAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435970 221193537 /nfs/dbraw/zinc/19/35/37/221193537.db2.gz RJGRPFUEEAMZAF-HNNXBMFYSA-N 0 0 380.488 4.739 50 0 GJAARN COc1cc(/C=C/c2ccccn2)ccc1OCc1nnc(-c2ccc(C)o2)o1 ZINC000012462513 221197905 /nfs/dbraw/zinc/19/79/05/221197905.db2.gz MBZWQVXDRTTZHX-VQHVLOKHSA-N 0 0 389.411 4.791 50 0 GJAARN Cc1[nH]c2ccc(C)cc2c1CCN(Cc1cccnc1)C(=S)NC(C)(C)C ZINC000012514236 221199891 /nfs/dbraw/zinc/19/98/91/221199891.db2.gz BLXQCEBNRUWROP-UHFFFAOYSA-N 0 0 394.588 4.897 50 0 GJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000012515748 221200234 /nfs/dbraw/zinc/20/02/34/221200234.db2.gz LJEADFLNNWTRBO-UHFFFAOYSA-N 0 0 388.895 4.965 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)cc1OC ZINC000012525973 221201381 /nfs/dbraw/zinc/20/13/81/221201381.db2.gz VCWVEOLVAMVILJ-UHFFFAOYSA-N 0 0 398.484 4.557 50 0 GJAARN CSc1ncc(C(=O)Oc2cc(C)ccc2Cl)n1-c1ccc(F)cc1 ZINC000012535375 221203237 /nfs/dbraw/zinc/20/32/37/221203237.db2.gz RISJOHVBUOVESX-UHFFFAOYSA-N 0 0 376.840 4.914 50 0 GJAARN CCCN(Cc1nnc(-c2cccs2)o1)Cn1c2ccccc2n(C)c1=S ZINC000012544176 221204148 /nfs/dbraw/zinc/20/41/48/221204148.db2.gz QCKQYRILNFCTKO-UHFFFAOYSA-N 0 0 399.545 4.690 50 0 GJAARN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1C(C)C ZINC000012575454 221208976 /nfs/dbraw/zinc/20/89/76/221208976.db2.gz LKXKKQVQXYVZGQ-SFHVURJKSA-N 0 0 377.488 4.560 50 0 GJAARN CC(C)(NC(=O)CCc1nnc(-c2ccsc2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000012575130 221209189 /nfs/dbraw/zinc/20/91/89/221209189.db2.gz QWEYBNOKCUWCHH-UHFFFAOYSA-N 0 0 399.560 4.842 50 0 GJAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012581534 221209987 /nfs/dbraw/zinc/20/99/87/221209987.db2.gz BUMYEHKQARCGCL-LJQANCHMSA-N 0 0 388.496 4.593 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012581043 221210387 /nfs/dbraw/zinc/21/03/87/221210387.db2.gz XYKQSFVJZBBSQS-MRXNPFEDSA-N 0 0 390.270 4.612 50 0 GJAARN COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccc(F)cc1 ZINC000012371673 221186302 /nfs/dbraw/zinc/18/63/02/221186302.db2.gz PJEZJABFFCXOII-MRXNPFEDSA-N 0 0 383.444 4.949 50 0 GJAARN CCOCCn1c2ccc(Cl)cc2s/c1=N\C(=O)/C=C/c1cccs1 ZINC000012378502 221186800 /nfs/dbraw/zinc/18/68/00/221186800.db2.gz WIGQSHUSKDZYHE-PTYIPUSCSA-N 0 0 392.933 4.595 50 0 GJAARN C/C=C/c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000012628443 221215480 /nfs/dbraw/zinc/21/54/80/221215480.db2.gz OKHVQQKLWDUZLL-AMGQUURNSA-N 0 0 391.471 4.591 50 0 GJAARN O=C(CCn1ccc2ccc(Br)cc21)Nc1ccc2[nH]ccc2c1 ZINC000012664569 221217926 /nfs/dbraw/zinc/21/79/26/221217926.db2.gz QJJSOPFVEVTLIO-UHFFFAOYSA-N 0 0 382.261 4.914 50 0 biogenic GJAARN CCn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000012692830 221217940 /nfs/dbraw/zinc/21/79/40/221217940.db2.gz ALODIJKIZKBNEP-UHFFFAOYSA-N 0 0 394.544 4.654 50 0 GJAARN C[C@H](NC(=O)CN(C)Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000012692097 221218559 /nfs/dbraw/zinc/21/85/59/221218559.db2.gz OSDHJYNXFKBBSR-SFHVURJKSA-N 0 0 376.475 4.802 50 0 GJAARN O=C(Nc1ccc2c(c1)CN(C(=O)C1=CCCC1)CC2)c1ccccc1Cl ZINC000012710215 221219522 /nfs/dbraw/zinc/21/95/22/221219522.db2.gz LNVZDKFFNMCJAE-UHFFFAOYSA-N 0 0 380.875 4.587 50 0 GJAARN COc1ccc(C(=O)C2CCN(C(=O)c3sc4ccccc4c3C)CC2)cc1 ZINC000012742059 221223828 /nfs/dbraw/zinc/22/38/28/221223828.db2.gz XFNNJPKFNQPZAY-UHFFFAOYSA-N 0 0 393.508 4.953 50 0 GJAARN CSCc1c2ccccc2oc1C(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000012746711 221223932 /nfs/dbraw/zinc/22/39/32/221223932.db2.gz KCBGODWPZFZISN-IBGZPJMESA-N 0 0 391.496 4.549 50 0 GJAARN Cc1ccc(-c2nnc(S[C@H]3C[C@@H](C)OC3=O)nc2-c2ccc(C)cc2)cc1 ZINC000012750304 221224690 /nfs/dbraw/zinc/22/46/90/221224690.db2.gz JAQGSVLUCXNNLT-QAPCUYQASA-N 0 0 391.496 4.619 50 0 GJAARN CC(C)(C)c1noc(CSc2nc(-c3ccc(Br)cc3)c[nH]2)n1 ZINC000012753896 221225669 /nfs/dbraw/zinc/22/56/69/221225669.db2.gz DTRAVLWWYXQSAB-UHFFFAOYSA-N 0 0 393.310 4.812 50 0 GJAARN CCOc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc(Br)c1OC ZINC000012758915 221226504 /nfs/dbraw/zinc/22/65/04/221226504.db2.gz MQQCDZUDRPIIPE-UONOGXRCSA-N 0 0 396.325 4.509 50 0 GJAARN COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc(OC)c1 ZINC000012756110 221226905 /nfs/dbraw/zinc/22/69/05/221226905.db2.gz WHMRNWSMOVTHIV-DEOSSOPVSA-N 0 0 389.495 4.737 50 0 GJAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012762852 221227789 /nfs/dbraw/zinc/22/77/89/221227789.db2.gz UWPVMRCYMWNVKF-OAQYLSRUSA-N 0 0 384.451 4.613 50 0 GJAARN O=C(COc1cccc(F)c1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000012773092 221229334 /nfs/dbraw/zinc/22/93/34/221229334.db2.gz UXTRPGVQCJRPRT-UHFFFAOYSA-N 0 0 384.388 4.820 50 0 GJAARN Cc1cc(C)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000012774040 221229896 /nfs/dbraw/zinc/22/98/96/221229896.db2.gz AVHMGBKTAVHQNZ-CMDGGOBGSA-N 0 0 396.918 4.847 50 0 GJAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)Nc1ccnn1C1CCCC1 ZINC000012780957 221230691 /nfs/dbraw/zinc/23/06/91/221230691.db2.gz XATRNSJIHNTYPS-NRFANRHFSA-N 0 0 398.507 4.517 50 0 GJAARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc3ccccc3o2)c(OC)c1 ZINC000012793233 221232558 /nfs/dbraw/zinc/23/25/58/221232558.db2.gz KWDLWDNCZRHJFW-ZAHGZRRWSA-N 0 0 377.440 4.827 50 0 GJAARN O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000012789813 221232853 /nfs/dbraw/zinc/23/28/53/221232853.db2.gz QRUYHBNUUIDQLL-UHFFFAOYSA-N 0 0 386.451 4.854 50 0 GJAARN CC(C)[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000012824879 221237161 /nfs/dbraw/zinc/23/71/61/221237161.db2.gz GXISLARVTHMCEX-SFHVURJKSA-N 0 0 392.286 4.762 50 0 GJAARN Cc1cc(C)cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000012843027 221238002 /nfs/dbraw/zinc/23/80/02/221238002.db2.gz HLMAFSWQFWXVBP-UHFFFAOYSA-N 0 0 392.421 4.940 50 0 GJAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012894882 221242769 /nfs/dbraw/zinc/24/27/69/221242769.db2.gz BSNOZHKSZOJFLW-INIZCTEOSA-N 0 0 399.450 4.903 50 0 GJAARN Cc1nc(-c2ccc(CNC(=O)c3cc(Br)ccc3F)o2)cs1 ZINC000012897039 221243107 /nfs/dbraw/zinc/24/31/07/221243107.db2.gz PCWZAFOIZBODFW-UHFFFAOYSA-N 0 0 395.253 4.543 50 0 GJAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000012935011 221248129 /nfs/dbraw/zinc/24/81/29/221248129.db2.gz XYSLWWRXOSDZTM-GOSISDBHSA-N 0 0 399.494 4.603 50 0 GJAARN Cc1nc2ccccc2nc1CS[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000012976718 221251248 /nfs/dbraw/zinc/25/12/48/221251248.db2.gz GXPNJLLOLBSPDU-AWEZNQCLSA-N 0 0 385.920 4.530 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(F)cc1F ZINC000012980730 221252064 /nfs/dbraw/zinc/25/20/64/221252064.db2.gz FMYXSWAIVHROCK-UHFFFAOYSA-N 0 0 382.414 4.592 50 0 GJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(Cl)c3Cl)n2)C1 ZINC000012993729 221254294 /nfs/dbraw/zinc/25/42/94/221254294.db2.gz VWFORIRJHOALQA-LLVKDONJSA-N 0 0 384.332 4.934 50 0 GJAARN COc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1OC ZINC000012999660 221255014 /nfs/dbraw/zinc/25/50/14/221255014.db2.gz WSYOMUHKAPTGGN-UHFFFAOYSA-N 0 0 398.484 4.608 50 0 GJAARN COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000013331393 221264940 /nfs/dbraw/zinc/26/49/40/221264940.db2.gz DVSDJIQWQOXWKV-UHFFFAOYSA-N 0 0 378.476 4.818 50 0 GJAARN Cc1ccc(N2N=N[C@@H]3CC[C@H](C4=CCCC4)[C@@]32N2CCOCC2)cc1Cl ZINC000013302936 221265079 /nfs/dbraw/zinc/26/50/79/221265079.db2.gz GRICDGWQMWCFNX-NRSPTQNISA-N 0 0 386.927 4.753 50 0 GJAARN CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000013331397 221265617 /nfs/dbraw/zinc/26/56/17/221265617.db2.gz IPXHYLRZKNGHCF-UHFFFAOYSA-N 0 0 378.476 4.899 50 0 GJAARN C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C[C@@H](C)O1 ZINC000013005904 221256946 /nfs/dbraw/zinc/25/69/46/221256946.db2.gz XXAFUAXNXKDWHT-CHWSQXEVSA-N 0 0 386.904 4.866 50 0 GJAARN COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000013011594 221258203 /nfs/dbraw/zinc/25/82/03/221258203.db2.gz DBTHBJQQMXLZDA-UHFFFAOYSA-N 0 0 376.243 4.748 50 0 GJAARN C[C@H]1CCCCN1C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000013055850 221258690 /nfs/dbraw/zinc/25/86/90/221258690.db2.gz QKNFYPZAKVIFEL-LBSLPOPVSA-N 0 0 397.902 4.825 50 0 GJAARN CN(C)[C@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccccc1Cl ZINC000013040206 221258694 /nfs/dbraw/zinc/25/86/94/221258694.db2.gz FIKOHCAFETUTCP-MRXNPFEDSA-N 0 0 386.952 4.938 50 0 GJAARN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000013022972 221259135 /nfs/dbraw/zinc/25/91/35/221259135.db2.gz XXTOTSXJIKMAEQ-UHFFFAOYSA-N 0 0 384.888 4.926 50 0 GJAARN CCOCc1c2ccccc2oc1C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000013023530 221259179 /nfs/dbraw/zinc/25/91/79/221259179.db2.gz KUPXJHBORSSWGB-UHFFFAOYSA-N 0 0 379.456 4.695 50 0 GJAARN COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC(=O)c1ccccc1F ZINC000013096076 221260875 /nfs/dbraw/zinc/26/08/75/221260875.db2.gz GYWRMXPBEFCZIH-SFQUDFHCSA-N 0 0 389.382 4.546 50 0 GJAARN COC(=O)[C@H](Sc1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1 ZINC000013165321 221263257 /nfs/dbraw/zinc/26/32/57/221263257.db2.gz UMKXOESSROFTAG-CQSZACIVSA-N 0 0 391.905 4.942 50 0 GJAARN O=C(/C=C/c1ccccc1)N[C@H](Sc1ccccn1)C(Cl)(Cl)Cl ZINC000013227842 221263884 /nfs/dbraw/zinc/26/38/84/221263884.db2.gz ASUUWJZQXZZQMW-BOLDSZDNSA-N 0 0 387.719 4.700 50 0 GJAARN O=C(NC1CCCCC1)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000013496838 221270558 /nfs/dbraw/zinc/27/05/58/221270558.db2.gz QYPRNZVSERGTPY-UHFFFAOYSA-N 0 0 392.528 4.967 50 0 GJAARN O=C(NC1CCCCC1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000013786364 221289702 /nfs/dbraw/zinc/28/97/02/221289702.db2.gz VDEGLBPHGBMXDW-HKWRFOASSA-N 0 0 382.891 4.560 50 0 GJAARN O=C(CCCc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000013695025 221281611 /nfs/dbraw/zinc/28/16/11/221281611.db2.gz XYVBTRSWYJGRCY-UHFFFAOYSA-N 0 0 376.500 4.727 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cn1 ZINC000013725207 221283950 /nfs/dbraw/zinc/28/39/50/221283950.db2.gz QTWYGGBKKAXAHH-UHFFFAOYSA-N 0 0 392.253 4.667 50 0 GJAARN O=C(CCn1ccc2ccc(F)cc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000013734651 221285882 /nfs/dbraw/zinc/28/58/82/221285882.db2.gz QGAGJPATVKDUJW-UHFFFAOYSA-N 0 0 383.854 4.664 50 0 GJAARN C[C@H](NC(=O)CSc1nnc(CCC2CCCC2)[nH]1)c1cc2ccccc2o1 ZINC000014084382 221299186 /nfs/dbraw/zinc/29/91/86/221299186.db2.gz XEABQTSFKQCADN-AWEZNQCLSA-N 0 0 398.532 4.643 50 0 GJAARN O=C(CNC(=O)C1CCCCC1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000014113415 221299387 /nfs/dbraw/zinc/29/93/87/221299387.db2.gz QEEVNONQQQDHLN-UHFFFAOYSA-N 0 0 393.512 4.598 50 0 GJAARN COc1ccccc1[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000014125787 221299993 /nfs/dbraw/zinc/29/99/93/221299993.db2.gz YEUZFOULSCHQJU-AWEZNQCLSA-N 0 0 380.469 4.500 50 0 GJAARN CCC(C)(C)C1CCC(NC(=O)Cn2c(=S)[nH]nc2-c2cccs2)CC1 ZINC000014197247 221303800 /nfs/dbraw/zinc/30/38/00/221303800.db2.gz XWEYTWLEMVFLIM-UHFFFAOYSA-N 0 0 392.594 4.780 50 0 GJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3F)c12 ZINC000014204940 221304609 /nfs/dbraw/zinc/30/46/09/221304609.db2.gz IFICJROYLWPQPG-UHFFFAOYSA-N 0 0 390.212 4.563 50 0 GJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCc4ccccc4C3)c12 ZINC000014203509 221304809 /nfs/dbraw/zinc/30/48/09/221304809.db2.gz XCZVWJDYKZRIJI-UHFFFAOYSA-N 0 0 387.414 4.536 50 0 GJAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000014202206 221304924 /nfs/dbraw/zinc/30/49/24/221304924.db2.gz YVBFVWWIZKGCOB-UHFFFAOYSA-N 0 0 392.261 4.650 50 0 GJAARN CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SC[C@H]1CCCO1 ZINC000014246494 221307440 /nfs/dbraw/zinc/30/74/40/221307440.db2.gz ODBPYJFYFOOYSP-OAHLLOKOSA-N 0 0 398.553 4.840 50 0 GJAARN C/C=C/c1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c(OC)c1 ZINC000014318203 221308109 /nfs/dbraw/zinc/30/81/09/221308109.db2.gz QAUYXBKJHKIFAP-AATRIKPKSA-N 0 0 382.485 4.854 50 0 GJAARN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000014256730 221308330 /nfs/dbraw/zinc/30/83/30/221308330.db2.gz ZYJUHLKYNIOCGU-HNNXBMFYSA-N 0 0 375.490 4.566 50 0 GJAARN COc1ccc(OC)c(C(=O)N(Cc2cccc(OCC(C)C)c2)C2CC2)c1 ZINC000014969780 221321365 /nfs/dbraw/zinc/32/13/65/221321365.db2.gz LHXABCYZNKPACY-UHFFFAOYSA-N 0 0 383.488 4.543 50 0 GJAARN CCOc1ccc(Nc2cc(C)nc3nc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000014610328 221313296 /nfs/dbraw/zinc/31/32/96/221313296.db2.gz RZBTWUXIURWJKW-UHFFFAOYSA-N 0 0 379.851 4.895 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609728 221313786 /nfs/dbraw/zinc/31/37/86/221313786.db2.gz GXIVMZPJYMGKPK-UHFFFAOYSA-N 0 0 392.821 4.979 50 0 GJAARN CC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 ZINC000014658012 221314167 /nfs/dbraw/zinc/31/41/67/221314167.db2.gz RYVVOPAGFJBZIA-UHFFFAOYSA-N 0 0 376.250 4.691 50 0 GJAARN CC(CNC(=O)COc1ccc2c(c1)CCC2)(c1ccccc1)c1ccccc1 ZINC000014672742 221314460 /nfs/dbraw/zinc/31/44/60/221314460.db2.gz SQYGOGLXWIDJTB-UHFFFAOYSA-N 0 0 385.507 4.677 50 0 GJAARN O=C(CCc1ncc(-c2ccccc2F)o1)Oc1ccccc1Br ZINC000014778422 221316874 /nfs/dbraw/zinc/31/68/74/221316874.db2.gz GJRYMNKVOQNVFP-UHFFFAOYSA-N 0 0 390.208 4.781 50 0 GJAARN C[C@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl ZINC000014774271 221317861 /nfs/dbraw/zinc/31/78/61/221317861.db2.gz TUKNTICRIPRCIU-LBPRGKRZSA-N 0 0 389.883 4.892 50 0 GJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2ccsc2)CC(=O)N3)cc1 ZINC000015106593 221332274 /nfs/dbraw/zinc/33/22/74/221332274.db2.gz UVNNFNYGPOBHSR-HNNXBMFYSA-N 0 0 398.509 4.853 50 0 GJAARN COc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1OCc1ccc(F)cc1 ZINC000015085666 221333040 /nfs/dbraw/zinc/33/30/40/221333040.db2.gz CQVPPHXAPSUTAS-INIZCTEOSA-N 0 0 383.444 4.949 50 0 GJAARN C[C@H](SCc1ccccc1Br)C(=O)Nc1ccc(F)cc1F ZINC000015493173 221335940 /nfs/dbraw/zinc/33/59/40/221335940.db2.gz CTLXESAKVKRXDS-JTQLQIEISA-N 0 0 386.261 4.988 50 0 GJAARN Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccsc2)cc1 ZINC000015412977 221336508 /nfs/dbraw/zinc/33/65/08/221336508.db2.gz ZBIGFCKQDGPAOU-JOCHJYFZSA-N 0 0 390.508 4.794 50 0 GJAARN COc1ccc(CCN(C)C(=O)c2sc3ccccc3c2Cl)cc1OC ZINC000015427550 221336557 /nfs/dbraw/zinc/33/65/57/221336557.db2.gz XTFGFMDIQLXAJW-UHFFFAOYSA-N 0 0 389.904 4.887 50 0 GJAARN COc1ccc(OC)c(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)c1 ZINC000015008611 221326279 /nfs/dbraw/zinc/32/62/79/221326279.db2.gz MQZKQGRJMPSFRW-UHFFFAOYSA-N 0 0 395.499 4.688 50 0 GJAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1O ZINC000015016189 221326393 /nfs/dbraw/zinc/32/63/93/221326393.db2.gz RLWIRDNDTRAHJH-IIBYNOLFSA-N 0 0 378.453 4.705 50 0 GJAARN CCN1c2ccc(Br)cc2[C@@H](Cc2ccc(SC)cc2)C1=O ZINC000015018159 221327070 /nfs/dbraw/zinc/32/70/70/221327070.db2.gz SVZKNKCHLGZZQF-MRXNPFEDSA-N 0 0 376.319 4.864 50 0 GJAARN Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)Cc1cccs1 ZINC000015063977 221327732 /nfs/dbraw/zinc/32/77/32/221327732.db2.gz XAMZHROOJYFNKH-GOSISDBHSA-N 0 0 379.529 4.615 50 0 GJAARN O=C(c1ccoc1)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000015065584 221330159 /nfs/dbraw/zinc/33/01/59/221330159.db2.gz QYSGABCJNJJNND-GOSISDBHSA-N 0 0 375.424 4.807 50 0 GJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1N1CCCC1=O ZINC000015614623 221337507 /nfs/dbraw/zinc/33/75/07/221337507.db2.gz PJASFNGNAOCSOV-UHFFFAOYSA-N 0 0 386.879 4.573 50 0 GJAARN CCC(=O)Nc1ccccc1-c1nc2ccccc2n(CCc2ccccc2)c1=O ZINC000015670795 221339025 /nfs/dbraw/zinc/33/90/25/221339025.db2.gz DMIOAAVQUPJWTN-UHFFFAOYSA-N 0 0 397.478 4.655 50 0 GJAARN CCOc1ccc(NC(=O)Nc2nnc(N(CC)c3ccccc3)s2)cc1 ZINC000015671749 221339045 /nfs/dbraw/zinc/33/90/45/221339045.db2.gz OZOTTZHJSMXRSC-UHFFFAOYSA-N 0 0 383.477 4.739 50 0 GJAARN Cc1ccc(NC(=O)C[C@@H](c2cccs2)N2Cc3ccccc3C2=O)cc1F ZINC000015721193 221341800 /nfs/dbraw/zinc/34/18/00/221341800.db2.gz XVLIIKDGXMNFGG-IBGZPJMESA-N 0 0 394.471 4.922 50 0 GJAARN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1Cl ZINC000015723897 221341869 /nfs/dbraw/zinc/34/18/69/221341869.db2.gz VQOOXTSRBWCNST-UHFFFAOYSA-N 0 0 396.874 4.997 50 0 GJAARN Cc1cc(C)n(-c2nnc(Nc3ccc(Br)cc3)c3ccccc32)n1 ZINC000015777678 221344045 /nfs/dbraw/zinc/34/40/45/221344045.db2.gz XYVSNFQHEMWHLZ-UHFFFAOYSA-N 0 0 394.276 4.938 50 0 GJAARN Cc1c(C[NH2+]CCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776912 221344190 /nfs/dbraw/zinc/34/41/90/221344190.db2.gz WTUVOIUPKUFSIQ-UHFFFAOYSA-N 0 0 394.490 4.631 50 0 GJAARN CCCN(c1ccc(OCC)cc1)c1nc(C(=O)OCC)nc2ccccc21 ZINC000015784062 221344268 /nfs/dbraw/zinc/34/42/68/221344268.db2.gz XBRXCPRPLGKSBT-UHFFFAOYSA-N 0 0 379.460 4.753 50 0 GJAARN Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccc(Cl)cc2)s1 ZINC000015840102 221347617 /nfs/dbraw/zinc/34/76/17/221347617.db2.gz NQJGESWHMGDKPK-UHFFFAOYSA-N 0 0 376.934 4.735 50 0 GJAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5cccs5)nn4cnc32)cc1 ZINC000015842272 221347859 /nfs/dbraw/zinc/34/78/59/221347859.db2.gz REOKZZFBTSJYSS-UHFFFAOYSA-N 0 0 389.484 4.812 50 0 GJAARN CCOC(=O)c1nc2c3ccccc3oc2c(NCc2ccc(Cl)cc2)n1 ZINC000015869639 221351100 /nfs/dbraw/zinc/35/11/00/221351100.db2.gz CXANYYHHMNKTNH-UHFFFAOYSA-N 0 0 381.819 4.818 50 0 GJAARN CC(C)(C)c1ccc(OCCC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000016105535 221357863 /nfs/dbraw/zinc/35/78/63/221357863.db2.gz KHFRIJGUJUNOIP-UHFFFAOYSA-N 0 0 380.488 4.519 50 0 GJAARN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)s2)cc1 ZINC000016141671 221358711 /nfs/dbraw/zinc/35/87/11/221358711.db2.gz WXGWPXHECPSYGH-AWEZNQCLSA-N 0 0 380.307 4.887 50 0 GJAARN O=C(Cc1noc(-c2cc(Cl)ccc2Cl)n1)Nc1ccccc1Cl ZINC000016579516 221364492 /nfs/dbraw/zinc/36/44/92/221364492.db2.gz FTEHVNSCPIHJOV-UHFFFAOYSA-N 0 0 382.634 4.878 50 0 GJAARN CN(C)C(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000016013564 221354578 /nfs/dbraw/zinc/35/45/78/221354578.db2.gz BJOUMLJBDPAFRD-NRFANRHFSA-N 0 0 390.508 4.861 50 0 GJAARN Cc1cccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 ZINC000017122902 221379367 /nfs/dbraw/zinc/37/93/67/221379367.db2.gz ABRLUTQIJQGQRZ-UHFFFAOYSA-N 0 0 384.479 4.769 50 0 GJAARN O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccccc1Cl ZINC000017191852 221380608 /nfs/dbraw/zinc/38/06/08/221380608.db2.gz PIXBSCLMEPBQCS-UHFFFAOYSA-N 0 0 394.887 4.781 50 0 GJAARN CCCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1 ZINC000017270735 221382295 /nfs/dbraw/zinc/38/22/95/221382295.db2.gz FSSJKFBBAFVUTG-UHFFFAOYSA-N 0 0 375.490 4.973 50 0 GJAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 ZINC000016751280 221371111 /nfs/dbraw/zinc/37/11/11/221371111.db2.gz MLXHPOGPMJXRCJ-HXUWFJFHSA-N 0 0 377.440 4.537 50 0 GJAARN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000016846297 221372224 /nfs/dbraw/zinc/37/22/24/221372224.db2.gz JIKPNUMXKPAVFG-IBGZPJMESA-N 0 0 390.483 4.518 50 0 GJAARN Cc1nnc(Cn2ccc(-c3cccc(-c4cc(C)nc5ccccc54)c3)n2)o1 ZINC000019147476 221398722 /nfs/dbraw/zinc/39/87/22/221398722.db2.gz AHYNEHJEZCMHLQ-UHFFFAOYSA-N 0 0 381.439 4.813 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cnc2ccccc2n1 ZINC000018120651 221387582 /nfs/dbraw/zinc/38/75/82/221387582.db2.gz GXYYWRVCEIDOFK-UHFFFAOYSA-N 0 0 386.377 4.501 50 0 GJAARN O=C(Nc1ccc(N2C(=O)CCC2=O)cc1Cl)c1ccc(Cl)cc1Cl ZINC000018194880 221388886 /nfs/dbraw/zinc/38/88/86/221388886.db2.gz FNVLDBMFCDKPDS-UHFFFAOYSA-N 0 0 397.645 4.553 50 0 GJAARN CS(=O)(=O)c1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000018941204 221392625 /nfs/dbraw/zinc/39/26/25/221392625.db2.gz IQMRALGDWDYUKK-UHFFFAOYSA-N 0 0 398.431 4.976 50 0 GJAARN Cc1cc(C)cc(-c2nnc3sc(-c4ccccc4Br)nn32)c1 ZINC000019910174 221463970 /nfs/dbraw/zinc/46/39/70/221463970.db2.gz FCYZFUMEJDLWED-UHFFFAOYSA-N 0 0 385.290 4.899 50 0 GJAARN O=C(c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)N1CCCCCC1 ZINC000020728721 221510268 /nfs/dbraw/zinc/51/02/68/221510268.db2.gz XDTDMUWORIMNDZ-HMMYKYKNSA-N 0 0 378.497 4.788 50 0 GJAARN CCOc1ccc(CCNC(=O)c2ccc(N3CCc4ccccc43)s2)cc1 ZINC000020985930 221521125 /nfs/dbraw/zinc/52/11/25/221521125.db2.gz HBBQMBWIQDNKOK-UHFFFAOYSA-N 0 0 392.524 4.814 50 0 GJAARN O=C(c1ccc(-n2ccc3ccccc32)s1)N1CCN(c2ccccc2)CC1 ZINC000020986133 221521485 /nfs/dbraw/zinc/52/14/85/221521485.db2.gz FOYIQGSEZKCARS-UHFFFAOYSA-N 0 0 387.508 4.654 50 0 GJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c(Br)c1 ZINC000021105106 221525797 /nfs/dbraw/zinc/52/57/97/221525797.db2.gz 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/nfs/dbraw/zinc/15/73/58/136157358.db2.gz YUYHMCSVSDGZCC-NRFANRHFSA-N 0 0 378.516 4.683 50 0 GJAARN Cc1nc(-c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)cs1 ZINC000064677343 136157448 /nfs/dbraw/zinc/15/74/48/136157448.db2.gz KWTDXEKEZSHGOI-UHFFFAOYSA-N 0 0 397.931 4.734 50 0 GJAARN O=C(Nc1ccccc1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000064687984 136157574 /nfs/dbraw/zinc/15/75/74/136157574.db2.gz UFPNNRNRPUQBIR-UHFFFAOYSA-N 0 0 385.467 4.771 50 0 GJAARN Cc1ccc(-c2cc(N3CCC(C(=O)NC4CCCCCC4)CC3)ncn2)cc1 ZINC000064872781 136158148 /nfs/dbraw/zinc/15/81/48/136158148.db2.gz AFQZQZXUHCJXTL-UHFFFAOYSA-N 0 0 392.547 4.507 50 0 GJAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)Nc4cccc(C)c4)C3)nc2)cc1 ZINC000065023317 136158671 /nfs/dbraw/zinc/15/86/71/136158671.db2.gz QCMJTWNRAWITHR-FQEVSTJZSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CSc1cc(N2CCCC[C@@H]2C)ncn1 ZINC000065133536 136159487 /nfs/dbraw/zinc/15/94/87/136159487.db2.gz BXYPXUBLHIAUDL-ZDUSSCGKSA-N 0 0 390.940 4.548 50 0 GJAARN Cc1cc(C)c(NC(=O)CSc2cc(N3C[C@H](C)C[C@@H](C)C3)ncn2)c(C)c1 ZINC000065133184 136159502 /nfs/dbraw/zinc/15/95/02/136159502.db2.gz KIACOLNCCBGJCH-HZPDHXFCSA-N 0 0 398.576 4.615 50 0 GJAARN CC(C)c1noc(-c2ccccc2C(=O)N2CCCc3c(F)cc(F)cc32)n1 ZINC000071862774 136166833 /nfs/dbraw/zinc/16/68/33/136166833.db2.gz CVEGWGXWAYKFDI-UHFFFAOYSA-N 0 0 383.398 4.731 50 0 GJAARN CC(C)NC(=O)c1ccnc(N2CCCC(c3ccccc3)(c3ccccc3)C2)c1 ZINC000095391807 136178957 /nfs/dbraw/zinc/17/89/57/136178957.db2.gz GKLACWNFHKTGRY-UHFFFAOYSA-N 0 0 399.538 4.806 50 0 GJAARN CCOc1ccc(N2C(=O)c3cccc4c(Br)ccc(c43)C2=O)cc1 ZINC000095471080 136179442 /nfs/dbraw/zinc/17/94/42/136179442.db2.gz YTHVWOKIANOFAT-UHFFFAOYSA-N 0 0 396.240 4.802 50 0 GJAARN O=C(Cc1ccccc1C(F)(F)F)OC1CCN(c2ccc(Cl)cn2)CC1 ZINC000095960080 136182729 /nfs/dbraw/zinc/18/27/29/136182729.db2.gz DCZAKYJYLPXPEB-UHFFFAOYSA-N 0 0 398.812 4.509 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000096323116 136186554 /nfs/dbraw/zinc/18/65/54/136186554.db2.gz AKUULUKDDFMRRO-UHFFFAOYSA-N 0 0 386.499 4.616 50 0 GJAARN Cc1ccccc1NC(=O)COc1cccc2ccc(N3CCC[C@H](C)C3)nc21 ZINC000017135943 136202176 /nfs/dbraw/zinc/20/21/76/136202176.db2.gz ZNIDWRRDEAGAPG-KRWDZBQOSA-N 0 0 389.499 4.797 50 0 GJAARN O=C(NCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000022504856 136203938 /nfs/dbraw/zinc/20/39/38/136203938.db2.gz PKBLHIMCKRUDFX-UHFFFAOYSA-N 0 0 385.467 4.601 50 0 GJAARN Cc1ccc(NC(=O)CSc2cc(Oc3cc(C)cc(C)c3)ncn2)cc1 ZINC000021657613 221536628 /nfs/dbraw/zinc/53/66/28/221536628.db2.gz BQAZKVQCQVIXGN-UHFFFAOYSA-N 0 0 379.485 4.925 50 0 GJAARN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NCc1ccc(F)cc1 ZINC000021656610 221537750 /nfs/dbraw/zinc/53/77/50/221537750.db2.gz QDRLBRHAJPWBOV-UHFFFAOYSA-N 0 0 391.471 4.734 50 0 GJAARN Cc1nn2c(nc(C(C)(C)C)cc2NC[C@H]2CCCO2)c1-c1ccc(F)cc1 ZINC000021799310 221541950 /nfs/dbraw/zinc/54/19/50/221541950.db2.gz WGSWPDBZGXKXGT-QGZVFWFLSA-N 0 0 382.483 4.732 50 0 GJAARN Cc1ccc(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)s1 ZINC000021806016 221543028 /nfs/dbraw/zinc/54/30/28/221543028.db2.gz CLBZMRHNASRVPB-UHFFFAOYSA-N 0 0 380.292 4.590 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)cc1 ZINC000022181517 221554371 /nfs/dbraw/zinc/55/43/71/221554371.db2.gz HEAVEAOAPYSRLA-QGZVFWFLSA-N 0 0 399.498 4.874 50 0 GJAARN Cc1ccc(NC(=O)N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1 ZINC000022327386 221557375 /nfs/dbraw/zinc/55/73/75/221557375.db2.gz ZYGZAKSCRDYARB-UHFFFAOYSA-N 0 0 398.557 4.530 50 0 GJAARN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(C(=O)C=C(C)C)CC2 ZINC000022651270 221566468 /nfs/dbraw/zinc/56/64/68/221566468.db2.gz OOLBGUFUQFTXNM-JOCHJYFZSA-N 0 0 385.891 4.798 50 0 GJAARN COc1ccc(-c2csc3c2ncn(Cc2cccc(Cl)c2)c3=O)cc1 ZINC000023126648 221582790 /nfs/dbraw/zinc/58/27/90/221582790.db2.gz WIVUCRPNWWXAID-UHFFFAOYSA-N 0 0 382.872 4.835 50 0 GJAARN Cc1ccc(C(=O)C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c(C)c1 ZINC000024454876 221615213 /nfs/dbraw/zinc/61/52/13/221615213.db2.gz BYYHPKPTMBALMW-UHFFFAOYSA-N 0 0 388.467 4.694 50 0 GJAARN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)Cc1cccc(Cl)c1 ZINC000024829293 221617472 /nfs/dbraw/zinc/61/74/72/221617472.db2.gz FTWPSMBKSKPHQB-DLUDVSRJSA-N 0 0 377.937 4.913 50 0 GJAARN O=C(Nc1cc(F)ccc1F)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC000024842018 221618849 /nfs/dbraw/zinc/61/88/49/221618849.db2.gz NXJVITIIWNBSES-UHFFFAOYSA-N 0 0 385.389 4.946 50 0 GJAARN CCCCn1nc(C)c(/C=C/C(=O)Nc2cccc(NC(C)=O)c2C)c1Cl ZINC000025601046 221632076 /nfs/dbraw/zinc/63/20/76/221632076.db2.gz WHXXJVUADWOTOP-ZHACJKMWSA-N 0 0 388.899 4.564 50 0 GJAARN CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1C ZINC000027741105 221659987 /nfs/dbraw/zinc/65/99/87/221659987.db2.gz GWKIDUUURANBAC-UHFFFAOYSA-N 0 0 395.459 4.585 50 0 GJAARN O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccco1)Cc1ccccc1F ZINC000027992775 221664503 /nfs/dbraw/zinc/66/45/03/221664503.db2.gz WPTVWCZZTXRNGQ-UHFFFAOYSA-N 0 0 395.361 4.507 50 0 GJAARN CC(C)c1ccc(OCCCC(=O)Nc2nccs2)c(Br)c1 ZINC000028232724 221671004 /nfs/dbraw/zinc/67/10/04/221671004.db2.gz KKJVOHKHFRKUOY-UHFFFAOYSA-N 0 0 383.311 4.827 50 0 GJAARN Fc1ccc(SC[C@H]2CSc3nnc(-c4ccncc4)n32)cc1Cl ZINC000030795075 221703799 /nfs/dbraw/zinc/70/37/99/221703799.db2.gz UFRMGVXLYWFEHK-NSHDSACASA-N 0 0 378.885 4.572 50 0 GJAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H](c1cccs1)C1CCCC1 ZINC000032396482 221721165 /nfs/dbraw/zinc/72/11/65/221721165.db2.gz CNTZLZCVYABUDW-QFIPXVFZSA-N 0 0 399.512 4.530 50 0 GJAARN Cc1nc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)n(C2CC2)c1C ZINC000032894142 221745775 /nfs/dbraw/zinc/74/57/75/221745775.db2.gz UUSSNGOJBULMLF-HNNXBMFYSA-N 0 0 379.529 4.958 50 0 GJAARN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)Nc4ccc(C)c(C)c4)C3)c2c1C ZINC000032960291 221757622 /nfs/dbraw/zinc/75/76/22/221757622.db2.gz DBVJTXZXGHBDME-GOSISDBHSA-N 0 0 392.503 4.620 50 0 GJAARN Cc1oc2ncnc(N3CCC(C(=O)Nc4cccc(Cl)c4C)CC3)c2c1C ZINC000032959810 221757861 /nfs/dbraw/zinc/75/78/61/221757861.db2.gz VSLUEBXDGWWEID-UHFFFAOYSA-N 0 0 398.894 4.657 50 0 GJAARN CCOCCCNC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC)c2c1 ZINC000032986701 221760912 /nfs/dbraw/zinc/76/09/12/221760912.db2.gz DLHRHCHJGPIGBF-UHFFFAOYSA-N 0 0 396.462 4.596 50 0 GJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(OC)c3)cc2C)s1 ZINC000033008259 221762668 /nfs/dbraw/zinc/76/26/68/221762668.db2.gz SHRIVYSBGRXGKA-UHFFFAOYSA-N 0 0 384.461 4.606 50 0 GJAARN Cc1ccc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)c(Cl)c1 ZINC000033172364 221777518 /nfs/dbraw/zinc/77/75/18/221777518.db2.gz NBCRAPZEAABKMQ-UHFFFAOYSA-N 0 0 382.876 4.804 50 0 GJAARN O=C(NCc1ccccc1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260988 221780145 /nfs/dbraw/zinc/78/01/45/221780145.db2.gz GNOMLQUMPDGKCW-UHFFFAOYSA-N 0 0 398.441 4.956 50 0 GJAARN Cc1cccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)N2CCC(C)CC2)c1 ZINC000033287846 221783806 /nfs/dbraw/zinc/78/38/06/221783806.db2.gz BFXZWURSIVQDLF-UHFFFAOYSA-N 0 0 375.472 4.601 50 0 GJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)N(C)Cc1ccco1 ZINC000033290162 221784734 /nfs/dbraw/zinc/78/47/34/221784734.db2.gz WKKUHYUITRXDTM-UHFFFAOYSA-N 0 0 396.559 4.717 50 0 GJAARN Cc1c2ccc(Br)cc2oc1C(=O)N1CCOC12CCCCC2 ZINC000035671077 221831290 /nfs/dbraw/zinc/83/12/90/221831290.db2.gz WWGLUQZAAGZARV-UHFFFAOYSA-N 0 0 378.266 4.637 50 0 GJAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2)C(=O)C2CCCC2)C1 ZINC000036014294 221838716 /nfs/dbraw/zinc/83/87/16/221838716.db2.gz MCASDXDBAONORU-OAQYLSRUSA-N 0 0 376.500 4.707 50 0 GJAARN O=C(c1cccc(F)c1)N1CCC[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314434 221850347 /nfs/dbraw/zinc/85/03/47/221850347.db2.gz FSMLPRBXEZTUGF-SFHVURJKSA-N 0 0 381.369 4.666 50 0 GJAARN CC(C)c1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(Cl)cc1 ZINC000036636049 221862227 /nfs/dbraw/zinc/86/22/27/221862227.db2.gz LYTRYETUTADKSB-UHFFFAOYSA-N 0 0 375.259 4.950 50 0 GJAARN Cc1csc(N(C(=O)Cc2csc(-c3ccccn3)n2)c2ccccc2)n1 ZINC000036779277 221867969 /nfs/dbraw/zinc/86/79/69/221867969.db2.gz SZBCOHCMVUDSMJ-UHFFFAOYSA-N 0 0 392.509 4.877 50 0 GJAARN Cc1cc(Oc2cc(N3CCN(c4ccccc4F)CC3)ncn2)ccc1Cl ZINC000037376961 221870657 /nfs/dbraw/zinc/87/06/57/221870657.db2.gz DLJNQKSRBPLYEN-UHFFFAOYSA-N 0 0 398.869 4.696 50 0 GJAARN CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000037450828 221871601 /nfs/dbraw/zinc/87/16/01/221871601.db2.gz FANXWNWVUQSJSF-LICLKQGHSA-N 0 0 387.844 4.502 50 0 GJAARN CCCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)CC(C)C)c1 ZINC000037600996 221874461 /nfs/dbraw/zinc/87/44/61/221874461.db2.gz KBZFCVULTOWZDM-UHFFFAOYSA-N 0 0 380.532 4.643 50 0 GJAARN O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(COc2ccccc2)o1 ZINC000039994033 221895978 /nfs/dbraw/zinc/89/59/78/221895978.db2.gz KPKFMTHNIHVIPY-UHFFFAOYSA-N 0 0 399.450 4.785 50 0 GJAARN Cc1ccc(C)n1-c1nc(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cs1 ZINC000040132482 221910321 /nfs/dbraw/zinc/91/03/21/221910321.db2.gz QVFMHXRHKSJMRC-AWEZNQCLSA-N 0 0 389.471 4.591 50 0 GJAARN Cc1c(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)oc2c1C(=O)CCC2 ZINC000040133526 221910976 /nfs/dbraw/zinc/91/09/76/221910976.db2.gz GCKSKAUXQKLNAH-UHFFFAOYSA-N 0 0 384.432 4.546 50 0 GJAARN COCCCn1c(SCc2csc(C)n2)nnc1-c1ccccc1Cl ZINC000040161748 221916271 /nfs/dbraw/zinc/91/62/71/221916271.db2.gz GSRDJLFCJUTJGW-UHFFFAOYSA-N 0 0 394.953 4.692 50 0 GJAARN COc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000040161259 221917117 /nfs/dbraw/zinc/91/71/17/221917117.db2.gz AXTJRSJRUNDASA-FQEVSTJZSA-N 0 0 386.455 4.677 50 0 GJAARN Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccn3C)cn2)cc1 ZINC000057726228 222036455 /nfs/dbraw/zinc/03/64/55/222036455.db2.gz ZRSADBCAGDLHCQ-HXUWFJFHSA-N 0 0 376.460 4.890 50 0 GJAARN Cc1cc(-c2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)o2)c(C)o1 ZINC000056907245 222027203 /nfs/dbraw/zinc/02/72/03/222027203.db2.gz VKPUIXDZSCHTMR-UHFFFAOYSA-N 0 0 387.395 4.823 50 0 GJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000057486680 222032977 /nfs/dbraw/zinc/03/29/77/222032977.db2.gz RHYTULBWUIMOOW-UHFFFAOYSA-N 0 0 392.846 4.806 50 0 GJAARN Cc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000057486572 222033094 /nfs/dbraw/zinc/03/30/94/222033094.db2.gz BYCICXZOYNFQHW-UHFFFAOYSA-N 0 0 390.418 4.600 50 0 GJAARN Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000047431433 221977404 /nfs/dbraw/zinc/97/74/04/221977404.db2.gz YNXVIPGFQFKTPP-GFCCVEGCSA-N 0 0 380.300 4.919 50 0 GJAARN Cc1ccccc1OCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000049985294 222002975 /nfs/dbraw/zinc/00/29/75/222002975.db2.gz LNCDDEJPAZNCFP-UHFFFAOYSA-N 0 0 399.878 4.514 50 0 GJAARN O=C(Nc1cccc(Br)c1)Nc1ccc(Br)cc1F ZINC000051354357 222005039 /nfs/dbraw/zinc/00/50/39/222005039.db2.gz FKYMGXBURYMBAW-UHFFFAOYSA-N 0 0 388.034 4.995 50 0 GJAARN COc1cc(NC(=O)Nc2cccc(Br)c2)c(OC)cc1Cl ZINC000051354376 222005302 /nfs/dbraw/zinc/00/53/02/222005302.db2.gz ALPMEMBQHCXLCK-UHFFFAOYSA-N 0 0 385.645 4.764 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364557 222006346 /nfs/dbraw/zinc/00/63/46/222006346.db2.gz YJYYOFUXCIUFEN-QGZVFWFLSA-N 0 0 378.859 4.807 50 0 GJAARN C[S@@](=O)c1ccc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000053726134 222012460 /nfs/dbraw/zinc/01/24/60/222012460.db2.gz GLGJLIFAASEXKX-DWACAAAGSA-N 0 0 389.476 4.690 50 0 GJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccccc3)CO2)cc1 ZINC000054278150 222013028 /nfs/dbraw/zinc/01/30/28/222013028.db2.gz GNAHIWSQNBTPIE-UHFFFAOYSA-N 0 0 399.446 4.821 50 0 biogenic GJAARN CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000055154915 222016766 /nfs/dbraw/zinc/01/67/66/222016766.db2.gz BDVCNOVAUPFYOE-UHFFFAOYSA-N 0 0 382.467 4.744 50 0 GJAARN CC(C)c1ccccc1NC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055327643 222019996 /nfs/dbraw/zinc/01/99/96/222019996.db2.gz HLOHISHZUAQRBH-UHFFFAOYSA-N 0 0 381.524 4.928 50 0 GJAARN O=S(=O)(NC1CCCCC1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004626 222094731 /nfs/dbraw/zinc/09/47/31/222094731.db2.gz BEPKYSNZTZKSAP-UHFFFAOYSA-N 0 0 380.535 4.672 50 0 GJAARN Cc1ccc(CNC(=O)c2cnn3c2nccc3-c2ccc(C)c(C)c2)cc1C ZINC000065026648 222094892 /nfs/dbraw/zinc/09/48/92/222094892.db2.gz LMDHPLLBWFUJML-UHFFFAOYSA-N 0 0 384.483 4.560 50 0 GJAARN O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)Nc1cc(F)ccc1F ZINC000065029708 222095294 /nfs/dbraw/zinc/09/52/94/222095294.db2.gz ABQLFYNDZDFDKB-UHFFFAOYSA-N 0 0 386.377 4.896 50 0 GJAARN CCc1nc(-c2ccc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)cc2)cs1 ZINC000065032319 222096274 /nfs/dbraw/zinc/09/62/74/222096274.db2.gz OAYRRVORNATMFH-GFCCVEGCSA-N 0 0 394.456 4.507 50 0 GJAARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)Nc1ccc(F)c(F)c1 ZINC000065031489 222096783 /nfs/dbraw/zinc/09/67/83/222096783.db2.gz OQKQSIPITBODQH-UHFFFAOYSA-N 0 0 391.377 4.593 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@](C)(C(=O)NCc2ccccc2)C1 ZINC000065059143 222097921 /nfs/dbraw/zinc/09/79/21/222097921.db2.gz OKRGRGJTMCMLPX-JOCHJYFZSA-N 0 0 399.922 4.599 50 0 GJAARN COc1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)c1 ZINC000065079642 222099432 /nfs/dbraw/zinc/09/94/32/222099432.db2.gz BPXLOLNIAOXQSD-UHFFFAOYSA-N 0 0 391.496 4.869 50 0 GJAARN CCc1csc(-c2csc(S(=O)(=O)NCc3ccc(Cl)cc3)c2)n1 ZINC000065116784 222102060 /nfs/dbraw/zinc/10/20/60/222102060.db2.gz MIGLPLSWQHLZDS-UHFFFAOYSA-N 0 0 398.962 4.566 50 0 GJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCC1CCCCC1 ZINC000065136428 222103994 /nfs/dbraw/zinc/10/39/94/222103994.db2.gz IJRJSKNJAPXALO-SFHVURJKSA-N 0 0 389.515 4.546 50 0 GJAARN CCCn1c(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)nc2cccnc21 ZINC000065172810 222105920 /nfs/dbraw/zinc/10/59/20/222105920.db2.gz QETNUPKYJXCJED-UHFFFAOYSA-N 0 0 388.446 4.577 50 0 GJAARN CCCn1c2ncccc2nc1-c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 ZINC000065172797 222106048 /nfs/dbraw/zinc/10/60/48/222106048.db2.gz KHELFRDXNHLTQN-QGZVFWFLSA-N 0 0 384.483 4.999 50 0 GJAARN Fc1ccc(-c2nnc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)o2)cc1 ZINC000065185370 222108677 /nfs/dbraw/zinc/10/86/77/222108677.db2.gz DSBOHHNRGFKWMP-UHFFFAOYSA-N 0 0 390.296 4.535 50 0 GJAARN Cc1ccccc1CC(=O)Nc1ccsc1-c1nc(-c2ccccc2)no1 ZINC000065218852 222111255 /nfs/dbraw/zinc/11/12/55/222111255.db2.gz IFGIWSLJESWUOA-UHFFFAOYSA-N 0 0 375.453 4.955 50 0 GJAARN O=C(Cc1cccc(F)c1)Nc1ccsc1-c1nc(-c2cccc(F)c2)no1 ZINC000065219355 222111422 /nfs/dbraw/zinc/11/14/22/222111422.db2.gz RMCXCWXOEIOWKD-UHFFFAOYSA-N 0 0 397.406 4.925 50 0 GJAARN CC(C)c1nn(CN(Cc2ccccc2)C[C@H]2CCCO2)c(=S)n1C1CC1 ZINC000057991465 222036945 /nfs/dbraw/zinc/03/69/45/222036945.db2.gz BRAOAVWNALLYBT-LJQANCHMSA-N 0 0 386.565 4.511 50 0 GJAARN Cc1nc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)sc1-c1ccccn1 ZINC000058014332 222037680 /nfs/dbraw/zinc/03/76/80/222037680.db2.gz PNUZEHLANSQSRU-UHFFFAOYSA-N 0 0 383.521 4.841 50 0 GJAARN Cc1nc2c(cc(OCC(=O)Nc3ccc(N(C)C)cc3)c3ccsc32)s1 ZINC000058065343 222040108 /nfs/dbraw/zinc/04/01/08/222040108.db2.gz MTWQNOMRMQKCNO-UHFFFAOYSA-N 0 0 397.525 4.903 50 0 GJAARN Cn1ccc(NC(=O)CSc2ccc3c4c2cccc4C(=O)c2ccccc2-3)n1 ZINC000058201396 222045912 /nfs/dbraw/zinc/04/59/12/222045912.db2.gz XPAOWAQNPPQYHU-UHFFFAOYSA-N 0 0 399.475 4.516 50 0 GJAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccccc1F ZINC000058289241 222047534 /nfs/dbraw/zinc/04/75/34/222047534.db2.gz ZEWILXLKRKVUNG-ZDUSSCGKSA-N 0 0 375.831 4.601 50 0 GJAARN Cc1nccn1-c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1F ZINC000058357487 222050238 /nfs/dbraw/zinc/05/02/38/222050238.db2.gz RFRXKSXPTMQLHU-UHFFFAOYSA-N 0 0 384.764 4.999 50 0 GJAARN O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cc(-c2ccccc2F)on1 ZINC000058429351 222052574 /nfs/dbraw/zinc/05/25/74/222052574.db2.gz SACOBXAFHOIXFW-UHFFFAOYSA-N 0 0 387.361 4.611 50 0 GJAARN COc1ccc(NC(=O)N(Cc2ccc(OC)cc2OC)C2CCCC2)cc1 ZINC000059275945 222056082 /nfs/dbraw/zinc/05/60/82/222056082.db2.gz FSBCJWYNRGFPBB-UHFFFAOYSA-N 0 0 384.476 4.689 50 0 GJAARN Cc1ccccc1Cc1cnc(NC(=O)c2ccc3nc(C)c(C)nc3c2)s1 ZINC000060688671 222060080 /nfs/dbraw/zinc/06/00/80/222060080.db2.gz SLNIKPSUCXPCNR-UHFFFAOYSA-N 0 0 388.496 4.855 50 0 GJAARN FC(F)(Cl)[C@@](F)(Br)C(F)(F)[C@](F)(Cl)Br ZINC000063148548 222066501 /nfs/dbraw/zinc/06/65/01/222066501.db2.gz CNQPZAGOLNLMLO-NPKIIWCNSA-N 0 0 392.746 4.771 50 0 GJAARN CC1(C)CCN(C(=O)c2cc(-c3cnc(C4CC4)nc3)nc3ccc(F)cc32)C1 ZINC000063844498 222067861 /nfs/dbraw/zinc/06/78/61/222067861.db2.gz DVPIYUPXVCCOTN-UHFFFAOYSA-N 0 0 390.462 4.580 50 0 GJAARN Cc1cc(C)c2c(c1)nc(-c1cnn(C(C)(C)C)c1)cc2C(=O)N(C)C(C)C ZINC000063885090 222068976 /nfs/dbraw/zinc/06/89/76/222068976.db2.gz TUYFAPWAZGTUDT-UHFFFAOYSA-N 0 0 378.520 4.951 50 0 GJAARN NC(=O)c1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 ZINC000064472441 222071959 /nfs/dbraw/zinc/07/19/59/222071959.db2.gz FVLVYUUXZOUQON-UHFFFAOYSA-N 0 0 387.464 4.557 50 0 GJAARN Cc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)ccc1Br ZINC000064580993 222075117 /nfs/dbraw/zinc/07/51/17/222075117.db2.gz NFZCJCYXOLXLSD-UHFFFAOYSA-N 0 0 390.668 4.849 50 0 GJAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCCC(C)C)c3)ncn2)cc1 ZINC000064578348 222075187 /nfs/dbraw/zinc/07/51/87/222075187.db2.gz KLUTZQGYJLSIDP-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN CCc1ccccc1NC(=O)N1CCc2nc(-c3cccc(OC)c3)sc2C1 ZINC000064659954 222076452 /nfs/dbraw/zinc/07/64/52/222076452.db2.gz MNBAQOWCCOOHDP-UHFFFAOYSA-N 0 0 393.512 4.971 50 0 GJAARN CC[C@H]1Cn2c(C(=O)NCCCc3ccccc3)cc3c2c(ccc3Cl)O1 ZINC000064658010 222076686 /nfs/dbraw/zinc/07/66/86/222076686.db2.gz XMTGIFPZXQCPLU-INIZCTEOSA-N 0 0 382.891 4.828 50 0 GJAARN O=C(NC1CC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669416 222077408 /nfs/dbraw/zinc/07/74/08/222077408.db2.gz JHENMJYTWTYDAU-UHFFFAOYSA-N 0 0 379.435 4.957 50 0 GJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NC1CCCCCC1 ZINC000064670127 222077778 /nfs/dbraw/zinc/07/77/78/222077778.db2.gz CNBWDAMUNAMATL-UHFFFAOYSA-N 0 0 394.562 4.518 50 0 GJAARN C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)nc2ccccn21)c1ccccc1 ZINC000064675543 222079240 /nfs/dbraw/zinc/07/92/40/222079240.db2.gz MRPFIVINWZJSMS-KRWDZBQOSA-N 0 0 387.458 4.950 50 0 GJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)n1 ZINC000064801424 222081802 /nfs/dbraw/zinc/08/18/02/222081802.db2.gz COXXQFZNXIYTMI-UHFFFAOYSA-N 0 0 380.427 4.744 50 0 GJAARN CCn1c(SCc2ccccc2F)nnc1-c1sc2ncccc2c1N ZINC000064794250 222082524 /nfs/dbraw/zinc/08/25/24/222082524.db2.gz RRBYQZFTMUSDNP-UHFFFAOYSA-N 0 0 385.493 4.588 50 0 GJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000064837788 222083565 /nfs/dbraw/zinc/08/35/65/222083565.db2.gz BINPPYDLEGTKQV-UHFFFAOYSA-N 0 0 380.828 4.552 50 0 GJAARN Cc1ccc(NC(=O)N2CCC([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000064847749 222084538 /nfs/dbraw/zinc/08/45/38/222084538.db2.gz RCTGMSQFFNMHJE-INIZCTEOSA-N 0 0 383.467 4.653 50 0 GJAARN Cc1ccccc1C(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858444 222084826 /nfs/dbraw/zinc/08/48/26/222084826.db2.gz UXJLVVHWGHKEQR-UHFFFAOYSA-N 0 0 391.902 4.996 50 0 biogenic GJAARN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)c2ccc(N(C)C)cc2)cc1 ZINC000064887895 222086288 /nfs/dbraw/zinc/08/62/88/222086288.db2.gz CZWZQLVDPDBBEU-UHFFFAOYSA-N 0 0 398.510 4.508 50 0 GJAARN Cc1cccc(-n2nc(-c3nc(-c4ccc(F)cc4)no3)c3ccccc3c2=O)c1 ZINC000064949755 222088849 /nfs/dbraw/zinc/08/88/49/222088849.db2.gz VSVLUNJRKDIDQD-UHFFFAOYSA-N 0 0 398.397 4.550 50 0 GJAARN COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064955944 222089286 /nfs/dbraw/zinc/08/92/86/222089286.db2.gz NXUPHHHFDKIJRS-GOSISDBHSA-N 0 0 399.494 4.893 50 0 GJAARN Cc1c(Cl)cccc1NC(=O)CSc1ccc(NCc2ccccc2)nn1 ZINC000064944786 222089347 /nfs/dbraw/zinc/08/93/47/222089347.db2.gz IGYUWYCPTMZUQJ-UHFFFAOYSA-N 0 0 398.919 4.781 50 0 GJAARN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NCc1ccco1 ZINC000065240941 222114809 /nfs/dbraw/zinc/11/48/09/222114809.db2.gz YDEZWOCAVKDJBV-UHFFFAOYSA-N 0 0 380.473 4.572 50 0 GJAARN Cc1nc(-c2cn(C)c3ncccc23)sc1C(=O)Nc1ccc(F)cc1F ZINC000065240847 222115273 /nfs/dbraw/zinc/11/52/73/222115273.db2.gz AAVLYOUVXYYOQU-UHFFFAOYSA-N 0 0 384.411 4.536 50 0 GJAARN COCCc1noc(-c2cnc3nc(C)ccc3c2Nc2cc(C)cc(C)c2)n1 ZINC000065250670 222116320 /nfs/dbraw/zinc/11/63/20/222116320.db2.gz LHDBDOQGCUGVQE-UHFFFAOYSA-N 0 0 389.459 4.538 50 0 GJAARN COc1ccc(NC(=O)c2c(C)sc3c2ncn(C2CCCCC2)c3=O)cc1 ZINC000065297661 222122143 /nfs/dbraw/zinc/12/21/43/222122143.db2.gz KAFPLESTBARBGU-UHFFFAOYSA-N 0 0 397.500 4.533 50 0 GJAARN CCOC(=O)c1ccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn32)cc1 ZINC000065322736 222123109 /nfs/dbraw/zinc/12/31/09/222123109.db2.gz NQEWZAQXJJLOQD-UHFFFAOYSA-N 0 0 392.846 4.970 50 0 GJAARN CCOC(=O)c1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)cc1 ZINC000065322731 222123127 /nfs/dbraw/zinc/12/31/27/222123127.db2.gz VEYUTJMXVOLRNF-UHFFFAOYSA-N 0 0 392.846 4.970 50 0 GJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000065331249 222125221 /nfs/dbraw/zinc/12/52/21/222125221.db2.gz IWSQHIFOKJRNGV-QGZVFWFLSA-N 0 0 381.863 4.789 50 0 GJAARN CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(CC)cc3)nc2C)no1 ZINC000065403195 222128592 /nfs/dbraw/zinc/12/85/92/222128592.db2.gz NWLMMGHRMJKEKJ-UHFFFAOYSA-N 0 0 398.532 4.682 50 0 GJAARN Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1cccc(NCc2ccccn2)c1C ZINC000065430026 222129855 /nfs/dbraw/zinc/12/98/55/222129855.db2.gz PUCAOQLOGTZALF-KRWDZBQOSA-N 0 0 389.503 4.730 50 0 GJAARN CCc1ccccc1NC(=O)c1cccc(NC(=O)c2cc(C(C)C)no2)c1 ZINC000065452310 222129965 /nfs/dbraw/zinc/12/99/65/222129965.db2.gz GNMRPCLIPVEWKX-UHFFFAOYSA-N 0 0 377.444 4.865 50 0 GJAARN Brc1cccc(-c2nnc(CN3CCC[C@@H]3c3cccs3)o2)c1 ZINC000065608523 222135052 /nfs/dbraw/zinc/13/50/52/222135052.db2.gz XPBZWVFKIDHPDQ-CQSZACIVSA-N 0 0 390.306 4.898 50 0 GJAARN Cc1ccc(-c2nsc(NC(=O)c3ccccc3Br)n2)s1 ZINC000066413144 222139726 /nfs/dbraw/zinc/13/97/26/222139726.db2.gz YXGUAHUSLMLNPH-UHFFFAOYSA-N 0 0 380.292 4.590 50 0 GJAARN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000066511787 222141441 /nfs/dbraw/zinc/14/14/41/222141441.db2.gz NAGPHARYIUDMLO-JOCHJYFZSA-N 0 0 388.467 4.866 50 0 GJAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1C ZINC000067258369 222142278 /nfs/dbraw/zinc/14/22/78/222142278.db2.gz CTRLMQXMCQTMIT-UHFFFAOYSA-N 0 0 387.508 4.749 50 0 GJAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)c1 ZINC000067259345 222142535 /nfs/dbraw/zinc/14/25/35/222142535.db2.gz JTQGTJZSYYUBOV-UHFFFAOYSA-N 0 0 387.508 4.749 50 0 GJAARN Clc1cccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)c1 ZINC000067261497 222143219 /nfs/dbraw/zinc/14/32/19/222143219.db2.gz CGKLYANHFNTTOW-UHFFFAOYSA-N 0 0 375.819 4.803 50 0 GJAARN COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 ZINC000067297398 222145155 /nfs/dbraw/zinc/14/51/55/222145155.db2.gz ZJUJPBINEJONTF-RWEWTDSWSA-N 0 0 398.418 4.704 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 ZINC000067339456 222145471 /nfs/dbraw/zinc/14/54/71/222145471.db2.gz HTWYJTIASYCMDC-CMDGGOBGSA-N 0 0 399.830 4.923 50 0 GJAARN CCc1cc([C@@H](C)n2cnc(-c3ccccc3)c2-c2nc(CC)[nH]c2C)on1 ZINC000067472819 222147057 /nfs/dbraw/zinc/14/70/57/222147057.db2.gz ZWTMPCBMQMWFDA-OAHLLOKOSA-N 0 0 375.476 4.971 50 0 GJAARN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2cc(C(C)C)no2)CCO3)cc1 ZINC000067739652 222158433 /nfs/dbraw/zinc/15/84/33/222158433.db2.gz MHFCJDYYFSJPHX-UHFFFAOYSA-N 0 0 392.455 4.514 50 0 GJAARN O=C(C[C@H]1C=CCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067851914 222163435 /nfs/dbraw/zinc/16/34/35/222163435.db2.gz AWFCGXKVNMJXRJ-HNNXBMFYSA-N 0 0 383.875 4.790 50 0 GJAARN Cc1[nH]c2c(c1C(=O)N1CCC[C@@H](CCc3ccccc3C)C1)C(=O)CCC2 ZINC000071753863 222191015 /nfs/dbraw/zinc/19/10/15/222191015.db2.gz QGANFCQANYGWPP-SFHVURJKSA-N 0 0 378.516 4.636 50 0 GJAARN Cc1cc(NC(=O)[C@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)no1 ZINC000069709564 222175210 /nfs/dbraw/zinc/17/52/10/222175210.db2.gz JDFKLAUFDZQBOM-ZDUSSCGKSA-N 0 0 378.457 4.699 50 0 GJAARN O=C(c1ccccc1O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071759928 222193833 /nfs/dbraw/zinc/19/38/33/222193833.db2.gz VFWRWCSWRNYDRJ-HNNXBMFYSA-N 0 0 377.406 4.896 50 0 GJAARN CCc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 ZINC000072115830 222207506 /nfs/dbraw/zinc/20/75/06/222207506.db2.gz PSDCUKRNSUKSOO-UHFFFAOYSA-N 0 0 399.458 4.612 50 0 GJAARN C[C@@H](c1ccccc1Cl)N(C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000072309114 222223631 /nfs/dbraw/zinc/22/36/31/222223631.db2.gz OIJUHHSGVQXICI-HNNXBMFYSA-N 0 0 399.947 4.920 50 0 GJAARN CN(Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)Cc1ncc[nH]1 ZINC000072480260 222266935 /nfs/dbraw/zinc/26/69/35/222266935.db2.gz GPMYAYZXEZSIJK-UHFFFAOYSA-N 0 0 395.869 4.687 50 0 GJAARN C[C@@H](CCc1ccccc1)NC(=O)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329081 222228783 /nfs/dbraw/zinc/22/87/83/222228783.db2.gz IRZXHKOQVWTIAD-AWEZNQCLSA-N 0 0 398.304 4.590 50 0 GJAARN CCOc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1Cl ZINC000072329360 222228847 /nfs/dbraw/zinc/22/88/47/222228847.db2.gz RZVFLDJIBYTVGW-CYBMUJFWSA-N 0 0 399.878 4.628 50 0 GJAARN COc1ccc(NC(C)=O)cc1NC(=O)CCc1cn(C(C)C)c2ccccc12 ZINC000072403648 222253585 /nfs/dbraw/zinc/25/35/85/222253585.db2.gz YCACXSFIHFJALT-UHFFFAOYSA-N 0 0 393.487 4.761 50 0 GJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@@H](C(C)C)CC(=O)O4)c2=O)cc1 ZINC000085876219 222325073 /nfs/dbraw/zinc/32/50/73/222325073.db2.gz VSQQMYONTPPWHC-OAHLLOKOSA-N 0 0 394.423 4.526 50 0 biogenic GJAARN O=C(CCSc1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000077200213 222276620 /nfs/dbraw/zinc/27/66/20/222276620.db2.gz MFCDGWBJAHJWJY-RTBURBONSA-N 0 0 398.528 4.845 50 0 GJAARN C[C@@H]1CCCN(C(=O)CC2(CC(=O)N3CCC[C@@H](C)CC3)CCCC2)CC1 ZINC000078528506 222296091 /nfs/dbraw/zinc/29/60/91/222296091.db2.gz JSIFUNCNDMRTCQ-WOJBJXKFSA-N 0 0 376.585 4.624 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccncc2)C12CCCCC2 ZINC000079464266 222305291 /nfs/dbraw/zinc/30/52/91/222305291.db2.gz XJZMFYHIRLPWPM-UWJYYQICSA-N 0 0 391.515 4.761 50 0 GJAARN Cc1ccnc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)c1 ZINC000079479044 222305690 /nfs/dbraw/zinc/30/56/90/222305690.db2.gz ANLRITUMXGODDN-OAQYLSRUSA-N 0 0 391.515 4.537 50 0 GJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)C12CCCCC2 ZINC000079490107 222306889 /nfs/dbraw/zinc/30/68/89/222306889.db2.gz HZOMXGBUPNABIJ-LAUBAEHRSA-N 0 0 391.515 4.761 50 0 GJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2sccc2C)o1 ZINC000084257528 222315061 /nfs/dbraw/zinc/31/50/61/222315061.db2.gz UARNSPDIHODYCG-UHFFFAOYSA-N 0 0 377.469 4.741 50 0 GJAARN CC(=O)Nc1cccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 ZINC000095963013 222365619 /nfs/dbraw/zinc/36/56/19/222365619.db2.gz LJFRTWKLFVVWAL-UHFFFAOYSA-N 0 0 395.846 4.525 50 0 GJAARN Cc1sc(NC(=O)c2ccnn2C(C)C)nc1-c1ccc(OC(F)F)cc1 ZINC000095967293 222365900 /nfs/dbraw/zinc/36/59/00/222365900.db2.gz OCEGOAYAWHMHKH-UHFFFAOYSA-N 0 0 392.431 4.750 50 0 GJAARN CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)cc(F)c3)n2)cc1 ZINC000095962109 222366012 /nfs/dbraw/zinc/36/60/12/222366012.db2.gz JAMMIXBXZVYSMM-CYBMUJFWSA-N 0 0 397.475 4.707 50 0 GJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1c[nH]nc1-c1ccc(F)c(Cl)c1 ZINC000095964191 222366218 /nfs/dbraw/zinc/36/62/18/222366218.db2.gz RJMOYCICQUTAMA-UHFFFAOYSA-N 0 0 399.838 4.640 50 0 GJAARN Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)n2)c(C)c1 ZINC000095970862 222367049 /nfs/dbraw/zinc/36/70/49/222367049.db2.gz HPPQOBNPUWCKTM-UHFFFAOYSA-N 0 0 395.459 4.703 50 0 GJAARN Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2cccc(Cl)n2)cc1 ZINC000096012810 222370668 /nfs/dbraw/zinc/37/06/68/222370668.db2.gz OWVFECPJRQUIAB-LJQANCHMSA-N 0 0 380.854 4.755 50 0 GJAARN O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096114197 222381302 /nfs/dbraw/zinc/38/13/02/222381302.db2.gz XPNPKQSCYZUYBU-AWEZNQCLSA-N 0 0 390.416 4.668 50 0 biogenic GJAARN O=C(NCc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1COc2ccccc2O1 ZINC000096346715 222414484 /nfs/dbraw/zinc/41/44/84/222414484.db2.gz JIYDRRHKAWORNE-NRFANRHFSA-N 0 0 395.842 4.589 50 0 GJAARN CCc1ccc(C2=Nc3ncnn3[C@@H](c3cc(Br)ccc3F)C2)cc1 ZINC000101668080 222473644 /nfs/dbraw/zinc/47/36/44/222473644.db2.gz FOSVNSLAKJXTLM-GOSISDBHSA-N 0 0 399.267 4.798 50 0 aggregator GJAARN Cc1ccc(C2=Nc3nnnn3[C@@H](c3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000102949363 222487831 /nfs/dbraw/zinc/48/78/31/222487831.db2.gz XFEVBAKZZBPGMW-JOCHJYFZSA-N 0 0 381.439 4.830 50 0 GJAARN COc1ccccc1CC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000206997017 222569737 /nfs/dbraw/zinc/56/97/37/222569737.db2.gz JHKLWLPYGWXVFT-LJQANCHMSA-N 0 0 375.921 4.598 50 0 GJAARN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1cn2ccccc2n1 ZINC000206897486 222570230 /nfs/dbraw/zinc/57/02/30/222570230.db2.gz UJRJYHBWJZSDEZ-OAHLLOKOSA-N 0 0 375.403 4.546 50 0 GJAARN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4ncon4)C3)c3ccccc3n2)cc1 ZINC000426374135 534170245 /nfs/dbraw/zinc/17/02/45/534170245.db2.gz GIEPVAZOIBOUBE-SFHVURJKSA-N 0 0 398.466 4.613 50 0 GJAARN Cc1cc(C)c(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c(C)n1 ZINC000106606455 518186807 /nfs/dbraw/zinc/18/68/07/518186807.db2.gz MIIXAPDCACTUNC-UHFFFAOYSA-N 0 0 375.259 4.752 50 0 GJAARN O=C(NCCc1ccccc1Cl)c1sc2ncccc2c1-n1cccc1 ZINC000008610854 534479020 /nfs/dbraw/zinc/47/90/20/534479020.db2.gz BJKDENPIJIPJCR-UHFFFAOYSA-N 0 0 381.888 4.713 50 0 GJAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccco2)cc1 ZINC000239611777 520930499 /nfs/dbraw/zinc/93/04/99/520930499.db2.gz FENSELHAZQZNEG-KNQAVFIVSA-N 0 0 394.858 5.574 50 0 GJAARN O=C(OCc1cc(-c2cccs2)on1)c1ccc(N2CCCCCC2)nc1 ZINC000095349505 534564031 /nfs/dbraw/zinc/56/40/31/534564031.db2.gz AXIPNVMAXHLNJY-UHFFFAOYSA-N 0 0 383.473 4.536 50 0 GJAARN COc1ccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc1Cl ZINC000238899433 523735735 /nfs/dbraw/zinc/73/57/35/523735735.db2.gz GJXGUCGGSXKTPK-KRWDZBQOSA-N 0 0 385.851 4.526 50 0 GJAARN C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)o1 ZINC000029884915 524969461 /nfs/dbraw/zinc/96/94/61/524969461.db2.gz KKQHUMVPIQXLHI-KBXCAEBGSA-N 0 0 383.879 4.573 50 0 GJAARN CC(C)(C)OC(=O)N1CCC(c2nc(C(C)(C)C)ncc2Br)CC1 ZINC000072233852 526395561 /nfs/dbraw/zinc/39/55/61/526395561.db2.gz QKDGKYIISFTCOQ-UHFFFAOYSA-N 0 0 398.345 4.651 50 0 GJAARN O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@H]1Cc1ccccc1 ZINC000240744134 526511768 /nfs/dbraw/zinc/51/17/68/526511768.db2.gz HUUODBQVWVZRDT-YTQUADARSA-N 0 0 384.317 4.786 50 0 GJAARN O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000000755291 527342579 /nfs/dbraw/zinc/34/25/79/527342579.db2.gz ZTDVFYHZXMOGPE-UHFFFAOYSA-N 0 0 399.800 4.839 50 0 GJAARN CC(=O)c1ccccc1-c1cccc(C(=O)N[C@H](C)c2nc(C(C)C)no2)c1 ZINC000426633740 527391241 /nfs/dbraw/zinc/39/12/41/527391241.db2.gz CNAFWMCSMNFEOD-CQSZACIVSA-N 0 0 377.444 4.554 50 0 GJAARN C/C(=C\COc1ccc2ccc(=O)oc2c1)CC/C=C(/C)CCC(=O)C(C)(C)O ZINC000002147404 527523269 /nfs/dbraw/zinc/52/32/69/527523269.db2.gz AEFSLEXCTRWIIO-KKXOSETESA-N 0 0 398.499 4.965 50 0 GJAARN CCN(Cc1ccc(C)o1)C(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095362975 528777010 /nfs/dbraw/zinc/77/70/10/528777010.db2.gz MOEFTTISWPYCJY-UHFFFAOYSA-N 0 0 377.419 4.704 50 0 GJAARN COc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000064568330 536811531 /nfs/dbraw/zinc/81/15/31/536811531.db2.gz VKJBTVXDOVDGDV-UHFFFAOYSA-N 0 0 375.472 4.794 50 0 GJAARN CCCC(=O)NCCc1c2cc(OC)ccc2n2c1-c1ccccc1CCC2 ZINC000002511691 560187300 /nfs/dbraw/zinc/18/73/00/560187300.db2.gz SPIFQXPRSJKRAO-UHFFFAOYSA-N 0 0 376.500 4.722 50 0 in-vitro GJAARN CCOc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000000679966 570216680 /nfs/dbraw/zinc/21/66/80/570216680.db2.gz LIRXKAGLGQIHPQ-UHFFFAOYSA-N 0 0 397.478 4.868 50 0 GJAARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 ZINC000012796020 570217381 /nfs/dbraw/zinc/21/73/81/570217381.db2.gz VMNTVIOWYBVUOX-VXGBXAGGSA-N 0 0 381.904 4.666 50 0 GJAARN Cc1sc(NC(=O)c2ccc([S@](C)=O)cc2)nc1-c1ccc(Cl)cc1 ZINC000047983121 570217362 /nfs/dbraw/zinc/21/73/62/570217362.db2.gz CURIWIZHVOYQTJ-RUZDIDTESA-N 0 0 390.917 4.762 50 0 GJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019790144 570219076 /nfs/dbraw/zinc/21/90/76/570219076.db2.gz XDKQBPGVSHBLEK-UHFFFAOYSA-N 0 0 390.914 4.965 50 0 GJAARN O=C(Nc1cccnc1N1CCCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000048172269 570220193 /nfs/dbraw/zinc/22/01/93/570220193.db2.gz BWQQOEPZSDMKEN-IBGZPJMESA-N 0 0 378.501 4.654 50 0 GJAARN c1cn(-c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)cn1 ZINC000032533615 570220644 /nfs/dbraw/zinc/22/06/44/570220644.db2.gz VTQSBWCWGGFUAU-UHFFFAOYSA-N 0 0 375.501 4.530 50 0 GJAARN O=C1C[C@@H](c2ccccc2I)c2ccc3ccccc3c2N1 ZINC000000727820 570221308 /nfs/dbraw/zinc/22/13/08/570221308.db2.gz RHMLSWBIYDCWOH-INIZCTEOSA-N 0 0 399.231 4.919 50 0 GJAARN CC(C)(C)[C@@H](NC(=O)Nc1ccc(CN2CCOC2=O)cc1)c1cccs1 ZINC000048234860 570221444 /nfs/dbraw/zinc/22/14/44/570221444.db2.gz WBIICGIPGYHLCF-KRWDZBQOSA-N 0 0 387.505 4.609 50 0 GJAARN CCOc1cc(C(=O)N(C)c2nc3ccccc3s2)ccc1OC(F)F ZINC000012807800 570222076 /nfs/dbraw/zinc/22/20/76/570222076.db2.gz HUZRQGUMGQNNNW-UHFFFAOYSA-N 0 0 378.400 4.573 50 0 GJAARN COc1cccc(C2=N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)c1 ZINC000006047403 570223590 /nfs/dbraw/zinc/22/35/90/570223590.db2.gz LDRHLFHGOBWBIY-PDGQHHTCSA-N 0 0 379.799 4.953 50 0 GJAARN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCC[C@H]1c1nccs1 ZINC000175384799 570223821 /nfs/dbraw/zinc/22/38/21/570223821.db2.gz OGEZPBBKWYDKOC-AWEZNQCLSA-N 0 0 391.345 4.507 50 0 GJAARN O=C(CC1=CCCCC1)N1CCC[C@@H]1c1ccc(C(=O)Nc2ccccn2)s1 ZINC000019840927 570224829 /nfs/dbraw/zinc/22/48/29/570224829.db2.gz HIXNWAMQADCGIA-QGZVFWFLSA-N 0 0 395.528 4.949 50 0 GJAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1C=C[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000022627757 570229135 /nfs/dbraw/zinc/22/91/35/570229135.db2.gz ADCIKNKYIQAKTR-VJBMBRPKSA-N 0 0 391.511 4.633 50 0 GJAARN Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000048274835 570229540 /nfs/dbraw/zinc/22/95/40/570229540.db2.gz VHAAXDMVTYIQIU-UHFFFAOYSA-N 0 0 384.354 4.799 50 0 GJAARN CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1c(F)cccc1Cl ZINC000022628027 570229870 /nfs/dbraw/zinc/22/98/70/570229870.db2.gz ARRAFPIJBCAHRK-UHFFFAOYSA-N 0 0 387.867 4.983 50 0 GJAARN O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000006060433 570231454 /nfs/dbraw/zinc/23/14/54/570231454.db2.gz NQJZZWNVXJITGS-VDHUBAETSA-N 0 0 398.871 4.571 50 0 GJAARN COc1ccc([C@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)c2ccccc2)cc1 ZINC000048286375 570231490 /nfs/dbraw/zinc/23/14/90/570231490.db2.gz MYGLFFFGCDJAPA-XMMPIXPASA-N 0 0 397.478 4.775 50 0 GJAARN C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000012818395 570231546 /nfs/dbraw/zinc/23/15/46/570231546.db2.gz KHDYGJPZOLRSLZ-VOJFVSQTSA-N 0 0 381.278 4.803 50 0 GJAARN O=C(NCc1ccc2c(c1)OCO2)c1sc2cc(Cl)ccc2c1Cl ZINC000000957043 570231829 /nfs/dbraw/zinc/23/18/29/570231829.db2.gz ADRBYRKRJMBYLY-UHFFFAOYSA-N 0 0 380.252 4.867 50 0 GJAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 ZINC000000969443 570232330 /nfs/dbraw/zinc/23/23/30/570232330.db2.gz LHWWBTGRQYBZDS-NSHDSACASA-N 0 0 397.689 4.947 50 0 GJAARN CCCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 ZINC000004816587 570233579 /nfs/dbraw/zinc/23/35/79/570233579.db2.gz IAXGXIUYDAXKDR-PMACEKPBSA-N 0 0 378.451 4.593 50 0 GJAARN O=C(COc1ccccc1)N1CCc2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000023308774 570234429 /nfs/dbraw/zinc/23/44/29/570234429.db2.gz HVPFEBNFVPXIDZ-HSZRJFAPSA-N 0 0 377.871 4.893 50 0 GJAARN O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364528 570235623 /nfs/dbraw/zinc/23/56/23/570235623.db2.gz HJXWRMAONHNVJF-OAHLLOKOSA-N 0 0 382.822 4.638 50 0 GJAARN Cc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023310803 570235852 /nfs/dbraw/zinc/23/58/52/570235852.db2.gz NWSARMIIILJELM-DEOSSOPVSA-N 0 0 388.486 4.682 50 0 GJAARN Cc1oc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1Cl ZINC000048325318 570236058 /nfs/dbraw/zinc/23/60/58/570236058.db2.gz WZQDWZQNOHZUIY-UHFFFAOYSA-N 0 0 390.848 4.697 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1cccc2ccccc21 ZINC000048312905 570236933 /nfs/dbraw/zinc/23/69/33/570236933.db2.gz PVKBMVUVCSQCRR-UHFFFAOYSA-N 0 0 399.494 4.512 50 0 GJAARN CC(C)Oc1ccc(CN2CCc3nc(Nc4ccccc4F)ncc3C2)cc1 ZINC000015779041 570243521 /nfs/dbraw/zinc/24/35/21/570243521.db2.gz FIGAUFVAHBLNEI-UHFFFAOYSA-N 0 0 392.478 4.705 50 0 GJAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000020176352 570246129 /nfs/dbraw/zinc/24/61/29/570246129.db2.gz VTZUZVDWOHXURG-UHFFFAOYSA-N 0 0 390.418 4.519 50 0 GJAARN CCCCCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 ZINC000020265830 570250649 /nfs/dbraw/zinc/25/06/49/570250649.db2.gz MTVJXIALIACSJW-XDJHFCHBSA-N 0 0 388.533 4.735 50 0 GJAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000001158445 570250890 /nfs/dbraw/zinc/25/08/90/570250890.db2.gz SDDDBKARABZRMQ-UHFFFAOYSA-N 0 0 391.298 4.793 50 0 GJAARN FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3c3nccs3)n2)cc1 ZINC000020294225 570251519 /nfs/dbraw/zinc/25/15/19/570251519.db2.gz YWXBJDIGYOFJFT-AWEZNQCLSA-N 0 0 394.422 4.939 50 0 GJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CCn1nc(-c2cccs2)oc1=O ZINC000012822730 570251581 /nfs/dbraw/zinc/25/15/81/570251581.db2.gz MPOGCFZRMCEFHR-UHFFFAOYSA-N 0 0 399.516 4.840 50 0 GJAARN CC[C@H](C)c1ccc(NC(=S)N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000020385876 570253866 /nfs/dbraw/zinc/25/38/66/570253866.db2.gz SNMTVSOFDHGHER-KRWDZBQOSA-N 0 0 385.552 4.854 50 0 GJAARN O=C(CSc1cc(N2CCCCC2)ncn1)Nc1ccc(Cl)cc1Cl ZINC000049006683 570258023 /nfs/dbraw/zinc/25/80/23/570258023.db2.gz NDPVYUHZIJTYTN-UHFFFAOYSA-N 0 0 397.331 4.505 50 0 GJAARN Cc1ccc(N2CCN(CC(=O)Nc3ccccc3-c3ccccc3)C2=O)cc1 ZINC000049026120 570259119 /nfs/dbraw/zinc/25/91/19/570259119.db2.gz QXEHDQRLDHRYCA-UHFFFAOYSA-N 0 0 385.467 4.543 50 0 GJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001408546 570262124 /nfs/dbraw/zinc/26/21/24/570262124.db2.gz OCVADCGGERDPOV-UHFFFAOYSA-N 0 0 393.830 4.869 50 0 GJAARN CC[C@@H](C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1)c1ccccc1 ZINC000049362945 570263235 /nfs/dbraw/zinc/26/32/35/570263235.db2.gz PIJFDQYZQKXLGY-QGZVFWFLSA-N 0 0 381.501 4.698 50 0 GJAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1ccc(Cl)cc1 ZINC000085988153 570264594 /nfs/dbraw/zinc/26/45/94/570264594.db2.gz IPXNMGLASJBVGU-MAUKXSAKSA-N 0 0 377.271 4.512 50 0 GJAARN CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC ZINC000100011979 570264845 /nfs/dbraw/zinc/26/48/45/570264845.db2.gz OMFNSKIUKYOYRG-MOSHPQCFSA-N 0 0 397.515 4.925 50 0 world GJAARN COC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(F)cc1F ZINC000012852233 570266592 /nfs/dbraw/zinc/26/65/92/570266592.db2.gz DAFYCDHVQHCLDE-UHFFFAOYSA-N 0 0 383.350 4.796 50 0 GJAARN Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000020543355 570266978 /nfs/dbraw/zinc/26/69/78/570266978.db2.gz XLCHDQMIFPGQRH-UHFFFAOYSA-N 0 0 391.437 4.672 50 0 GJAARN O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000020600031 570269577 /nfs/dbraw/zinc/26/95/77/570269577.db2.gz WNXFDQOFFSCOFB-OAHLLOKOSA-N 0 0 387.405 4.677 50 0 GJAARN CCOC(=O)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000006128665 570271106 /nfs/dbraw/zinc/27/11/06/570271106.db2.gz JFFMTTUHXGEMTQ-SFHVURJKSA-N 0 0 379.485 4.541 50 0 GJAARN Brc1ccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)cc1 ZINC000071889757 570271128 /nfs/dbraw/zinc/27/11/28/570271128.db2.gz OMRHDROLCKFVHA-UHFFFAOYSA-N 0 0 385.261 4.596 50 0 GJAARN C/C(I)=C/C[C@H]1C(=O)O[C@H]2[C@@H]3[C@@H]4C(=CCC[C@]34C)CC[C@H]12 ZINC000071786580 570272386 /nfs/dbraw/zinc/27/23/86/570272386.db2.gz QNMYWQVKNZFFDE-DJHTULLBSA-N 0 0 398.284 4.639 50 0 GJAARN Cc1ccccc1[C@@H](C)NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000012871261 570272793 /nfs/dbraw/zinc/27/27/93/570272793.db2.gz KIPLBHZMTCJEQG-QGZVFWFLSA-N 0 0 393.556 4.662 50 0 GJAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O ZINC000100576034 570273249 /nfs/dbraw/zinc/27/32/49/570273249.db2.gz VABBIMDZOLSXEA-CYBMUJFWSA-N 0 0 392.680 4.533 50 0 GJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCC2 ZINC000002089582 570274275 /nfs/dbraw/zinc/27/42/75/570274275.db2.gz KHRDUFYTQHZUFG-MRXNPFEDSA-N 0 0 387.501 4.598 50 0 GJAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000020715521 570275399 /nfs/dbraw/zinc/27/53/99/570275399.db2.gz GYDDICQHGOTPJS-MRXNPFEDSA-N 0 0 384.798 4.514 50 0 GJAARN Cc1ccccc1-c1nnc(SCCOc2ccc3c(C)cc(=O)oc3c2)o1 ZINC000002184308 570277765 /nfs/dbraw/zinc/27/77/65/570277765.db2.gz HZKULDDYXXOANH-UHFFFAOYSA-N 0 0 394.452 4.631 50 0 GJAARN COc1ccc2c(ccn2CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000020739021 570278521 /nfs/dbraw/zinc/27/85/21/570278521.db2.gz CQFMYBCKAYNBBJ-UHFFFAOYSA-N 0 0 382.769 4.961 50 0 GJAARN CCOc1ccc(NC(=O)Nc2nnc(COc3cc(C)cc(C)c3)s2)cc1 ZINC000002213184 570279151 /nfs/dbraw/zinc/27/91/51/570279151.db2.gz REMRIHFJYVPJNY-UHFFFAOYSA-N 0 0 398.488 4.777 50 0 GJAARN O=C(CSc1cc(=O)oc2ccccc21)Nc1cccc(C(F)(F)F)c1 ZINC000214075167 570279685 /nfs/dbraw/zinc/27/96/85/570279685.db2.gz JZACXADDJOZREB-UHFFFAOYSA-N 0 0 379.359 4.543 50 0 GJAARN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)Cc1nccn1C ZINC000020781990 570280313 /nfs/dbraw/zinc/28/03/13/570280313.db2.gz CXQIZTDDXSTFDZ-UHFFFAOYSA-N 0 0 388.471 4.808 50 0 GJAARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002269062 570280785 /nfs/dbraw/zinc/28/07/85/570280785.db2.gz DNMHXQFGAMZPRE-UHFFFAOYSA-N 0 0 385.695 4.521 50 0 GJAARN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)ccc1O ZINC000002271251 570280681 /nfs/dbraw/zinc/28/06/81/570280681.db2.gz VLMLGOLJFYAYBH-QFIPXVFZSA-N 0 0 390.439 4.571 50 0 GJAARN CC(C)(C)OC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000014013457 570280879 /nfs/dbraw/zinc/28/08/79/570280879.db2.gz AIVZJIRPIZHOSE-UHFFFAOYSA-N 0 0 381.403 4.539 50 0 GJAARN Cc1cc(C)c(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)c(C)c1 ZINC000006747643 570281573 /nfs/dbraw/zinc/28/15/73/570281573.db2.gz GNTFZHGOECZEKD-UHFFFAOYSA-N 0 0 381.447 4.952 50 0 GJAARN CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000002312630 570282328 /nfs/dbraw/zinc/28/23/28/570282328.db2.gz DIYDSLQOEMRIJY-UHFFFAOYSA-N 0 0 396.270 4.968 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)C(=O)NCCCc3ccccc3)ccc21 ZINC000002337661 570283207 /nfs/dbraw/zinc/28/32/07/570283207.db2.gz FJZWYJJZISDDKZ-UHFFFAOYSA-N 0 0 399.494 4.502 50 0 GJAARN O=C(c1cccn1C1CC1)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 ZINC000214964340 570283381 /nfs/dbraw/zinc/28/33/81/570283381.db2.gz GLXYRLGBKWTRRH-UHFFFAOYSA-N 0 0 384.483 4.584 50 0 GJAARN Cc1nn2c(nc(C)cc2N2CCN(c3ccccc3C)CC2)c1-c1ccccc1 ZINC000002380558 570284975 /nfs/dbraw/zinc/28/49/75/570284975.db2.gz SODPRMSNNMKFJO-UHFFFAOYSA-N 0 0 397.526 4.648 50 0 GJAARN Cc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c(Cl)c1 ZINC000012889785 570285857 /nfs/dbraw/zinc/28/58/57/570285857.db2.gz RSGSKKNOCSFXAX-UHFFFAOYSA-N 0 0 395.890 4.727 50 0 GJAARN COc1ccc(-c2nn3c(nnc3-c3ccc(C(C)(C)C)cc3)s2)cc1OC ZINC000002396216 570285891 /nfs/dbraw/zinc/28/58/91/570285891.db2.gz FRINXYYIUYXLGK-UHFFFAOYSA-N 0 0 394.500 4.835 50 0 GJAARN O=c1ccc2ccc(OCc3csc(COc4ccc(F)cc4)n3)cc2o1 ZINC000012891444 570286146 /nfs/dbraw/zinc/28/61/46/570286146.db2.gz BDANKZVJSHZEPM-UHFFFAOYSA-N 0 0 383.400 4.547 50 0 GJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O)c1ccccc1 ZINC000002408090 570286243 /nfs/dbraw/zinc/28/62/43/570286243.db2.gz MCEFSJVOEVDHJN-UXHICEINSA-N 0 0 399.494 4.830 50 0 GJAARN CC(C)OCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000012896978 570287063 /nfs/dbraw/zinc/28/70/63/570287063.db2.gz PESPABSYSRJHAW-UHFFFAOYSA-N 0 0 382.435 4.693 50 0 GJAARN Cc1ccccc1-n1cccc1/C=C1\NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000661649 570287236 /nfs/dbraw/zinc/28/72/36/570287236.db2.gz VLSYUSNNWMONGU-AQTBWJFISA-N 0 0 377.831 4.536 50 0 GJAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1 ZINC000002465683 570287890 /nfs/dbraw/zinc/28/78/90/570287890.db2.gz CEKPNGKPJFOOAA-UHFFFAOYSA-N 0 0 392.484 4.825 50 0 GJAARN CSc1ccn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)n1 ZINC000002471989 570288251 /nfs/dbraw/zinc/28/82/51/570288251.db2.gz POCKESXHTYIHID-UHFFFAOYSA-N 0 0 377.494 4.745 50 0 biogenic GJAARN CCc1nnc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)s1 ZINC000021147079 570288634 /nfs/dbraw/zinc/28/86/34/570288634.db2.gz RSDWGWSJKYVJNA-UHFFFAOYSA-N 0 0 384.848 4.814 50 0 GJAARN Nc1c(-c2ccccc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1 ZINC000002508499 570289155 /nfs/dbraw/zinc/28/91/55/570289155.db2.gz JSWBCHFQKSPRJZ-UHFFFAOYSA-N 0 0 396.281 4.809 50 0 aggregator GJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2c1ccc1cc(OC)ccc12 ZINC000002532652 570289990 /nfs/dbraw/zinc/28/99/90/570289990.db2.gz FABLRYLDGZXSNO-UHFFFAOYSA-N 0 0 391.398 4.648 50 0 GJAARN COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1Br ZINC000024758071 570290422 /nfs/dbraw/zinc/29/04/22/570290422.db2.gz MDDGGCMSAMGNGN-UHFFFAOYSA-N 0 0 398.684 4.691 50 0 GJAARN CC(=O)c1ccccc1OCCN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012913574 570291814 /nfs/dbraw/zinc/29/18/14/570291814.db2.gz KWMYAWRLUJWTSM-HSZRJFAPSA-N 0 0 377.509 4.977 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)no2)cc1F ZINC000021524856 570292017 /nfs/dbraw/zinc/29/20/17/570292017.db2.gz SNBUVLXNXLLXDI-UHFFFAOYSA-N 0 0 396.418 4.854 50 0 GJAARN Cc1ccccc1-c1nc(OCC(C)C)nn1-c1ccc(NC(=O)C(C)C)cc1 ZINC000000696979 570292881 /nfs/dbraw/zinc/29/28/81/570292881.db2.gz MPJJFYUGNNIWGM-UHFFFAOYSA-N 0 0 392.503 4.872 50 0 GJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nccn2-c2cc(C)ccc2C)c1C ZINC000021649134 570293777 /nfs/dbraw/zinc/29/37/77/570293777.db2.gz OFWGYOMGJHTDAB-UHFFFAOYSA-N 0 0 381.501 4.612 50 0 GJAARN O=C(CCCc1ccccc1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000012296670 570294296 /nfs/dbraw/zinc/29/42/96/570294296.db2.gz LLYGJTKJVTUZTR-UHFFFAOYSA-N 0 0 397.316 4.838 50 0 biogenic GJAARN CCOC(=O)C(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)OCC ZINC000002669354 570294449 /nfs/dbraw/zinc/29/44/49/570294449.db2.gz FXHOKFCRSVWIJF-UHFFFAOYSA-N 0 0 383.227 4.763 50 0 GJAARN NC(=O)c1c(NC(=O)/C=C/c2cccc3ccccc23)sc2c1CCCC2 ZINC000002696508 570295396 /nfs/dbraw/zinc/29/53/96/570295396.db2.gz RYERUOCWSCYYHW-OUKQBFOZSA-N 0 0 376.481 4.531 50 0 GJAARN CCOc1ccccc1NC(=O)c1sc(COc2ccc(C)cc2)nc1C ZINC000012923586 570295404 /nfs/dbraw/zinc/29/54/04/570295404.db2.gz YAHVLJNTPSLSOY-UHFFFAOYSA-N 0 0 382.485 4.990 50 0 GJAARN Cc1ccccc1Cn1c(CCCNC(=O)c2cccs2)nc2ccccc21 ZINC000002721511 570295994 /nfs/dbraw/zinc/29/59/94/570295994.db2.gz AKBVTKAXNVIAGD-UHFFFAOYSA-N 0 0 389.524 4.817 50 0 GJAARN C[C@@H](C(=O)NC1CCCCCC1)n1nc(-c2cccs2)c2ccccc2c1=O ZINC000012925351 570296346 /nfs/dbraw/zinc/29/63/46/570296346.db2.gz JZEWYWIIKACNCP-HNNXBMFYSA-N 0 0 395.528 4.525 50 0 GJAARN CCOc1cc2c(cc1CSc1nnc(-c3ccccc3OC)o1)O[C@@H](C)C2 ZINC000021977554 570300781 /nfs/dbraw/zinc/30/07/81/570300781.db2.gz KVHBNYXZNXUUGZ-ZDUSSCGKSA-N 0 0 398.484 4.760 50 0 GJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000002777376 570300957 /nfs/dbraw/zinc/30/09/57/570300957.db2.gz ZDDFOZPQYIHBKW-UHFFFAOYSA-N 0 0 379.847 4.914 50 0 GJAARN CC(C)NC(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2)n1 ZINC000034712097 570303476 /nfs/dbraw/zinc/30/34/76/570303476.db2.gz IEZDCMAJADDBCA-UHFFFAOYSA-N 0 0 388.439 4.806 50 0 GJAARN CCN(C)C(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034711951 570303518 /nfs/dbraw/zinc/30/35/18/570303518.db2.gz GRNIKTUOFBRBFI-UHFFFAOYSA-N 0 0 388.439 4.759 50 0 GJAARN CCN(CC)C(=O)c1csc(-c2ccc(OCc3cccc(OC)c3)cc2)n1 ZINC000034711967 570303527 /nfs/dbraw/zinc/30/35/27/570303527.db2.gz AGGSXETWYPKGKI-UHFFFAOYSA-N 0 0 396.512 4.880 50 0 GJAARN COc1cc(SC)ccc1C(=O)NCCOc1ccccc1-c1ccccc1 ZINC000002812334 570304119 /nfs/dbraw/zinc/30/41/19/570304119.db2.gz XKXFCOXSLRWQCJ-UHFFFAOYSA-N 0 0 393.508 4.893 50 0 GJAARN Cc1ccc(NC(=O)CCCC(=O)O[C@@H](C)C(=O)c2ccccc2)cc1Cl ZINC000002817944 570304703 /nfs/dbraw/zinc/30/47/03/570304703.db2.gz HRJVDAFHBKDATR-HNNXBMFYSA-N 0 0 387.863 4.572 50 0 GJAARN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1C ZINC000002825726 570305064 /nfs/dbraw/zinc/30/50/64/570305064.db2.gz WLQYIHZQHBESOS-UHFFFAOYSA-N 0 0 381.501 4.971 50 0 GJAARN O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1Cl ZINC000002835620 570305979 /nfs/dbraw/zinc/30/59/79/570305979.db2.gz ORNALFBTQOYCMM-UHFFFAOYSA-N 0 0 379.869 4.875 50 0 GJAARN CCOC(=S)SCc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000000724148 570306378 /nfs/dbraw/zinc/30/63/78/570306378.db2.gz QJIQPJZAPMYMOB-UHFFFAOYSA-N 0 0 390.917 4.594 50 0 GJAARN COc1ccc(CCNC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000002841839 570307028 /nfs/dbraw/zinc/30/70/28/570307028.db2.gz YMEVNCPOWVPDFA-UHFFFAOYSA-N 0 0 377.513 4.968 50 0 GJAARN O=c1[nH]c(-c2c[nH]c3ccccc32)nc2c1sc(=S)n2Cc1ccccc1 ZINC000100145319 570307488 /nfs/dbraw/zinc/30/74/88/570307488.db2.gz PGVOAQSNVJHMDA-UHFFFAOYSA-N 0 0 390.493 4.712 50 0 GJAARN CCCOc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000002844864 570307715 /nfs/dbraw/zinc/30/77/15/570307715.db2.gz BCNZMDHUECDYJZ-ATVHPVEESA-N 0 0 386.245 4.582 50 0 GJAARN O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(F)cc1 ZINC000002866247 570312630 /nfs/dbraw/zinc/31/26/30/570312630.db2.gz AAQMJBJUYHBMGA-UHFFFAOYSA-N 0 0 386.224 4.979 50 0 GJAARN CCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1C(C)C ZINC000012321935 570313312 /nfs/dbraw/zinc/31/33/12/570313312.db2.gz PQRZBBNGIUOVBU-UHFFFAOYSA-N 0 0 376.522 4.566 50 0 GJAARN CCOC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl ZINC000002872333 570313843 /nfs/dbraw/zinc/31/38/43/570313843.db2.gz WLFMXYKIYMFZFJ-UHFFFAOYSA-N 0 0 381.856 4.528 50 0 GJAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000002891223 570316941 /nfs/dbraw/zinc/31/69/41/570316941.db2.gz CNQWQVVAYOEEPJ-PKTZIBPZSA-N 0 0 375.468 4.758 50 0 GJAARN CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000002900076 570317358 /nfs/dbraw/zinc/31/73/58/570317358.db2.gz LYKSHYXQTNWLNX-UHFFFAOYSA-N 0 0 390.505 4.925 50 0 GJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1)Nc1ccccc1-2 ZINC000002916016 570318016 /nfs/dbraw/zinc/31/80/16/570318016.db2.gz JVMYDJVUXPAKGS-IBGZPJMESA-N 0 0 394.500 4.943 50 0 GJAARN CC(C)(C)NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002944077 570319136 /nfs/dbraw/zinc/31/91/36/570319136.db2.gz CFBZEZSLVHGSET-NBVRZTHBSA-N 0 0 384.545 4.731 50 0 GJAARN FC(F)(F)c1ccc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)cc1 ZINC000022514879 570319284 /nfs/dbraw/zinc/31/92/84/570319284.db2.gz LFOGMQHVMANLRO-UHFFFAOYSA-N 0 0 387.390 4.531 50 0 GJAARN CCOC(=O)[C@H](Cc1ccccc1)c1nc(C(C)(C)C)nn1Cc1ccccc1 ZINC000072233843 570319463 /nfs/dbraw/zinc/31/94/63/570319463.db2.gz PJGADXGPCFLXRK-HXUWFJFHSA-N 0 0 391.515 4.513 50 0 GJAARN C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 ZINC000012380858 570321913 /nfs/dbraw/zinc/32/19/13/570321913.db2.gz UTPBGABRDVWSIN-HNNXBMFYSA-N 0 0 394.858 4.998 50 0 GJAARN O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(Br)c1 ZINC000026254605 570322666 /nfs/dbraw/zinc/32/26/66/570322666.db2.gz ZITDSABATSOSGU-UHFFFAOYSA-N 0 0 383.245 4.675 50 0 GJAARN COc1cc(C=O)ccc1OCCCOc1cc(C)c(C)cc1Br ZINC000002984926 570323035 /nfs/dbraw/zinc/32/30/35/570323035.db2.gz HNIJIUWPFITAGL-UHFFFAOYSA-N 0 0 393.277 4.735 50 0 GJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccccc1Cl ZINC000002990136 570323701 /nfs/dbraw/zinc/32/37/01/570323701.db2.gz YQYHRPRFNJQZJI-UHFFFAOYSA-N 0 0 391.254 4.766 50 0 GJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010546311 570324530 /nfs/dbraw/zinc/32/45/30/570324530.db2.gz ZXPSHKLPOOZMKR-INIZCTEOSA-N 0 0 389.430 4.982 50 0 GJAARN CCCCc1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 ZINC000002998227 570324912 /nfs/dbraw/zinc/32/49/12/570324912.db2.gz MMWIOJIIBXLLNN-INIZCTEOSA-N 0 0 393.512 4.631 50 0 GJAARN Cc1c(Cl)cccc1NC=C1N=C(c2ccccc2Br)OC1=O ZINC000006200585 570326031 /nfs/dbraw/zinc/32/60/31/570326031.db2.gz ICUBQAVQEQJVBX-DHDCSXOGSA-N 0 0 391.652 4.668 50 0 GJAARN CC[C@@H](CNC(=O)c1ccccc1SCc1nc(C)no1)c1ccccc1 ZINC000026391411 570326455 /nfs/dbraw/zinc/32/64/55/570326455.db2.gz MNXFFGJRDJWAGZ-INIZCTEOSA-N 0 0 381.501 4.594 50 0 GJAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1)C1CCC1 ZINC000034736727 570328601 /nfs/dbraw/zinc/32/86/01/570328601.db2.gz SNJWGTSSZFIESG-UHFFFAOYSA-N 0 0 397.906 4.911 50 0 GJAARN CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2cc(C)ccc2C)C1=O ZINC000034737498 570328977 /nfs/dbraw/zinc/32/89/77/570328977.db2.gz QTEZDPKLZXUJPC-UHFFFAOYSA-N 0 0 394.519 4.586 50 0 GJAARN O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)c1ccc(Cl)cc1 ZINC000003126025 570329319 /nfs/dbraw/zinc/32/93/19/570329319.db2.gz HKAZDPMLDUHPSJ-UHFFFAOYSA-N 0 0 399.781 4.779 50 0 GJAARN Cc1ccc(Nc2nc(N)c(C(=O)c3ccc(Br)cc3)s2)cc1 ZINC000032947555 570329639 /nfs/dbraw/zinc/32/96/39/570329639.db2.gz UZGITUMHYLUEND-UHFFFAOYSA-N 0 0 388.290 4.771 50 0 GJAARN COc1cc(Nc2nc(N)c(C(=O)c3cc(C)c(C)cc3C)s2)cc(OC)c1 ZINC000032947933 570330583 /nfs/dbraw/zinc/33/05/83/570330583.db2.gz HSHXVZNJHHADRX-UHFFFAOYSA-N 0 0 397.500 4.642 50 0 GJAARN COc1ccc(C=C2CCC[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000034745906 570332306 /nfs/dbraw/zinc/33/23/06/570332306.db2.gz GOZPBMCCEGQPIM-ZQYNRQCUSA-N 0 0 392.524 4.958 50 0 GJAARN COc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000003207146 570332773 /nfs/dbraw/zinc/33/27/73/570332773.db2.gz FUWRXUXWZBMCCD-UHFFFAOYSA-N 0 0 376.890 4.690 50 0 GJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000023889961 570334441 /nfs/dbraw/zinc/33/44/41/570334441.db2.gz ZYNMHODUXWKFLH-UHFFFAOYSA-N 0 0 378.432 4.696 50 0 GJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)CC(C)C)[C@H](C)C1)=Nc1ccccc1O2 ZINC000034813637 570334677 /nfs/dbraw/zinc/33/46/77/570334677.db2.gz UGNNYXHPDGSBIO-GOSISDBHSA-N 0 0 391.515 4.758 50 0 GJAARN O=C(NCc1ccc(F)cc1)c1cn2cc(-c3ccc(F)c(Cl)c3)ccc2n1 ZINC000034831090 570335207 /nfs/dbraw/zinc/33/52/07/570335207.db2.gz OFHODNXJUFYSCD-UHFFFAOYSA-N 0 0 397.812 4.863 50 0 GJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccc(F)cc2)cc1OC ZINC000034793921 570336641 /nfs/dbraw/zinc/33/66/41/570336641.db2.gz SFSVGSAPOWXORH-UHFFFAOYSA-N 0 0 397.450 4.684 50 0 GJAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2c(F)cccc2F)c(OC)c1 ZINC000034796056 570337915 /nfs/dbraw/zinc/33/79/15/570337915.db2.gz ADCVOLRJCCTUQP-UHFFFAOYSA-N 0 0 399.397 4.502 50 0 GJAARN CCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000034796593 570338240 /nfs/dbraw/zinc/33/82/40/570338240.db2.gz QITNRMFFOKSNDG-UHFFFAOYSA-N 0 0 384.823 4.665 50 0 GJAARN COc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)ccc1C ZINC000023011878 570340602 /nfs/dbraw/zinc/34/06/02/570340602.db2.gz FCHPNCQOPWEITE-UHFFFAOYSA-N 0 0 375.428 4.900 50 0 GJAARN Cc1ccc(NC(=O)c2nc(CCc3ccccc3)n(-c3ccccc3)n2)cc1C ZINC000034911582 570341038 /nfs/dbraw/zinc/34/10/38/570341038.db2.gz BTWQJRCAGKPMPK-UHFFFAOYSA-N 0 0 396.494 4.922 50 0 GJAARN COc1cccc(-n2ccnc2SCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000023050663 570341615 /nfs/dbraw/zinc/34/16/15/570341615.db2.gz CXFNEOGVRKILML-UHFFFAOYSA-N 0 0 392.480 4.896 50 0 GJAARN O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)Nc1ccccc1 ZINC000023042873 570341665 /nfs/dbraw/zinc/34/16/65/570341665.db2.gz TZQYNBRICXFABF-UHFFFAOYSA-N 0 0 399.494 4.798 50 0 GJAARN CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1 ZINC000006220602 570342958 /nfs/dbraw/zinc/34/29/58/570342958.db2.gz XYCYSMKRSQNSQO-UHFFFAOYSA-N 0 0 382.485 4.789 50 0 GJAARN Cc1ccn2c(c1)nc(-c1cc(C)cc(C)c1)c2NC(=O)COc1ccccc1 ZINC000034915037 570344323 /nfs/dbraw/zinc/34/43/23/570344323.db2.gz XHVFMMKRKXCHLO-UHFFFAOYSA-N 0 0 385.467 4.944 50 0 GJAARN Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000035363220 570344665 /nfs/dbraw/zinc/34/46/65/570344665.db2.gz JRDONGWCURAFIS-MRXNPFEDSA-N 0 0 381.907 4.523 50 0 GJAARN CC(=O)c1sc(NC(=O)COc2ccccc2Cl)nc1-c1ccccc1 ZINC000006235378 570345309 /nfs/dbraw/zinc/34/53/09/570345309.db2.gz DFCMXIPZQOWXAJ-UHFFFAOYSA-N 0 0 386.860 4.684 50 0 GJAARN O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000023129843 570345706 /nfs/dbraw/zinc/34/57/06/570345706.db2.gz FQPNSEHHOMCZDP-HNNXBMFYSA-N 0 0 387.405 4.677 50 0 GJAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)nn2)c1 ZINC000035398223 570349293 /nfs/dbraw/zinc/34/92/93/570349293.db2.gz PNOHBLDEPHYLJM-HXUWFJFHSA-N 0 0 392.547 4.507 50 0 GJAARN CCCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000033448975 570350575 /nfs/dbraw/zinc/35/05/75/570350575.db2.gz ABTMYPBCTYWOKX-XGICHPGQSA-N 0 0 388.261 4.668 50 0 GJAARN COc1ccc(-c2[nH]nc3c2[C@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 ZINC000004870948 570352282 /nfs/dbraw/zinc/35/22/82/570352282.db2.gz XFWURRJRODEWOG-QHCPKHFHSA-N 0 0 399.425 4.974 50 0 GJAARN O=C(COC(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@H]2CC[C@H]1C2)c1ccc(Cl)cc1 ZINC000004008973 570354189 /nfs/dbraw/zinc/35/41/89/570354189.db2.gz WHUDPPDRXAQMEK-OVQGTLEDSA-N 0 0 396.870 4.611 50 0 GJAARN Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C(C)C)c(C)s1 ZINC000004883655 570356193 /nfs/dbraw/zinc/35/61/93/570356193.db2.gz AFPWXTDJDSYTSK-UHFFFAOYSA-N 0 0 387.501 4.633 50 0 GJAARN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 ZINC000010551262 570357089 /nfs/dbraw/zinc/35/70/89/570357089.db2.gz RVAXEMVCPKDRKE-UHFFFAOYSA-N 0 0 377.469 4.510 50 0 GJAARN O=c1c(C/C=C/c2ccccc2)c(O)ccn1Cc1cccc(C(F)(F)F)c1 ZINC000004091996 570357098 /nfs/dbraw/zinc/35/70/98/570357098.db2.gz QJUJDVGQYAVMNR-VMPITWQZSA-N 0 0 385.385 4.877 50 0 GJAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1 ZINC000004100972 570357282 /nfs/dbraw/zinc/35/72/82/570357282.db2.gz YIKQHDYRSJOHJF-UHFFFAOYSA-N 0 0 378.457 4.517 50 0 GJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCc2sc(Cl)cc2C1 ZINC000575617074 570359946 /nfs/dbraw/zinc/35/99/46/570359946.db2.gz XKUBBWNYFATTHT-UHFFFAOYSA-N 0 0 376.692 4.672 50 0 GJAARN O=C1c2ccccc2[C@@H](Nc2ccc3c(c2)OCCO3)N1c1ccc(Cl)cc1 ZINC000004900630 570359983 /nfs/dbraw/zinc/35/99/83/570359983.db2.gz JFLVLJLOFFDTEJ-NRFANRHFSA-N 0 0 392.842 4.882 50 0 GJAARN O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008156083 570360124 /nfs/dbraw/zinc/36/01/24/570360124.db2.gz BZAOXZDKADLPGD-UGSOOPFHSA-N 0 0 398.915 4.659 50 0 GJAARN COc1cc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)ccc1O ZINC000004155087 570360183 /nfs/dbraw/zinc/36/01/83/570360183.db2.gz OEHZSAHLIXAOHB-WYMLVPIESA-N 0 0 385.423 4.525 50 0 biogenic GJAARN CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000004175723 570360930 /nfs/dbraw/zinc/36/09/30/570360930.db2.gz XYBGJMUFSNRMIX-KRWDZBQOSA-N 0 0 394.327 4.657 50 0 GJAARN CCc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(Br)cc12 ZINC000004908228 570361576 /nfs/dbraw/zinc/36/15/76/570361576.db2.gz UVNUXASPJKXWCE-KXBFYZLASA-N 0 0 387.277 4.781 50 0 GJAARN C[C@H](C(=O)NCc1ccccn1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000004909357 570362012 /nfs/dbraw/zinc/36/20/12/570362012.db2.gz DZRXKOBAQHPHMJ-OAHLLOKOSA-N 0 0 390.874 4.629 50 0 GJAARN COc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 ZINC000004909925 570362112 /nfs/dbraw/zinc/36/21/12/570362112.db2.gz XAXCGQKYUFGAHC-UHFFFAOYSA-N 0 0 397.478 4.960 50 0 biogenic GJAARN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)CCCCCn1cccc1 ZINC000604419202 570363154 /nfs/dbraw/zinc/36/31/54/570363154.db2.gz LKEUUDOUOXKUQM-NRFANRHFSA-N 0 0 378.520 4.689 50 0 GJAARN Cc1cc(C(=O)CSc2nc3cc(C)ccc3[nH]2)c(C)n1-c1nccs1 ZINC000006292265 570363681 /nfs/dbraw/zinc/36/36/81/570363681.db2.gz AANITJHIQMRIKS-UHFFFAOYSA-N 0 0 382.514 4.710 50 0 GJAARN COc1cccc(CN(C)C(=O)c2sc3cc(F)ccc3c2Cl)c1OC ZINC000023527926 570364439 /nfs/dbraw/zinc/36/44/39/570364439.db2.gz GDETYGWMBWQMMK-UHFFFAOYSA-N 0 0 393.867 4.983 50 0 GJAARN Cc1cc2ncn(C[C@@H](O)CSc3ncc(-c4ccc(F)cc4)o3)c2cc1C ZINC000064032596 570365035 /nfs/dbraw/zinc/36/50/35/570365035.db2.gz LZQYSQWAOGURIW-QGZVFWFLSA-N 0 0 397.475 4.600 50 0 GJAARN Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1CNc1ccccc1 ZINC000004918289 570365508 /nfs/dbraw/zinc/36/55/08/570365508.db2.gz FFLSBAZBGVUYNW-YADHBBJMSA-N 0 0 392.886 4.923 50 0 GJAARN O=C(CSc1nccc(-c2cccs2)n1)Nc1ccccc1C(F)(F)F ZINC000004324995 570368187 /nfs/dbraw/zinc/36/81/87/570368187.db2.gz BLJDYZVYVRUBDC-UHFFFAOYSA-N 0 0 395.431 4.955 50 0 GJAARN C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc2ccccc2o1 ZINC000023695205 570369070 /nfs/dbraw/zinc/36/90/70/570369070.db2.gz SRJSMKJDVKYTQX-GFCCVEGCSA-N 0 0 380.425 4.831 50 0 GJAARN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCc1ccccn1 ZINC000004923832 570370045 /nfs/dbraw/zinc/37/00/45/570370045.db2.gz BXKJRSQNPFQMDG-UHFFFAOYSA-N 0 0 397.931 4.571 50 0 GJAARN O=C(NCc1ccco1)c1scc2sc(N3CCCc4ccccc43)nc21 ZINC000390832112 570371398 /nfs/dbraw/zinc/37/13/98/570371398.db2.gz XIPVHKRCAGYGIF-UHFFFAOYSA-N 0 0 395.509 4.965 50 0 GJAARN COc1ccc(NC(=O)CCCc2ccccc2)cc1NC(=O)c1ccco1 ZINC000004384052 570372489 /nfs/dbraw/zinc/37/24/89/570372489.db2.gz LZNMQTJKFHXJJJ-UHFFFAOYSA-N 0 0 378.428 4.502 50 0 GJAARN CCCCNC(=O)CN1c2ccccc2S/C(=C/c2ccc(CC)cc2)C1=O ZINC000004932986 570374485 /nfs/dbraw/zinc/37/44/85/570374485.db2.gz DNDDLQUWVWGGFC-RCCKNPSSSA-N 0 0 394.540 4.645 50 0 GJAARN COc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc(OC)c1OC ZINC000004420917 570374713 /nfs/dbraw/zinc/37/47/13/570374713.db2.gz CUUAYLNEWWGIDH-UHFFFAOYSA-N 0 0 377.396 4.864 50 0 GJAARN COc1cc(NC(=S)NCCc2ccc(Cl)cc2)c(OC)cc1Cl ZINC000004438907 570375443 /nfs/dbraw/zinc/37/54/43/570375443.db2.gz QHYZRUJWNURJKR-UHFFFAOYSA-N 0 0 385.316 4.540 50 0 GJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccc(C)cc1 ZINC000004936987 570375872 /nfs/dbraw/zinc/37/58/72/570375872.db2.gz CUZVCGBXFWFDTO-UHFFFAOYSA-N 0 0 397.474 4.988 50 0 GJAARN O=c1nc(SCc2cccc3ccccc32)c2c(n1Cc1ccco1)CCC2 ZINC000004940135 570376186 /nfs/dbraw/zinc/37/61/86/570376186.db2.gz MAGDLUDVEMPSKK-UHFFFAOYSA-N 0 0 388.492 4.819 50 0 GJAARN Cc1ccc(/N=c2\scc(-c3cccs3)n2CCCN2CCOCC2)cc1 ZINC000004940146 570376264 /nfs/dbraw/zinc/37/62/64/570376264.db2.gz RFSMBWFYYFBMPO-DQRAZIAOSA-N 0 0 399.585 4.541 50 0 GJAARN O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000004487817 570378026 /nfs/dbraw/zinc/37/80/26/570378026.db2.gz QGGUDGNATCFLDG-UHFFFAOYSA-N 0 0 386.407 4.703 50 0 GJAARN CCOc1ccc(C(=O)[C@H](C)Sc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000024144105 570379664 /nfs/dbraw/zinc/37/96/64/570379664.db2.gz RUMHMJFCHYXFGO-NSHDSACASA-N 0 0 395.406 4.510 50 0 GJAARN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Br)o1 ZINC000004512014 570380587 /nfs/dbraw/zinc/38/05/87/570380587.db2.gz CCBPXNCVBZHDCW-UHFFFAOYSA-N 0 0 394.228 4.905 50 0 GJAARN CCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000012974013 570382857 /nfs/dbraw/zinc/38/28/57/570382857.db2.gz CBCZGDDTFUGCID-ZDUSSCGKSA-N 0 0 398.553 4.720 50 0 GJAARN CCSc1nnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 ZINC000004540198 570382997 /nfs/dbraw/zinc/38/29/97/570382997.db2.gz XEFIZZGQQAUZTB-UHFFFAOYSA-N 0 0 377.516 4.788 50 0 GJAARN Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2c[nH]nc2-c2cccnc2)cc1 ZINC000010950320 570384470 /nfs/dbraw/zinc/38/44/70/570384470.db2.gz CDAFOSCKKTYYPJ-HSZRJFAPSA-N 0 0 395.466 4.547 50 0 GJAARN COc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1OC1CCCC1 ZINC000024507175 570385178 /nfs/dbraw/zinc/38/51/78/570385178.db2.gz SASPNSCLUIOEOX-UHFFFAOYSA-N 0 0 381.259 4.971 50 0 GJAARN O=C(Cc1ccccc1Cl)NCc1ccc(C(=O)c2cccs2)s1 ZINC000090610563 570386535 /nfs/dbraw/zinc/38/65/35/570386535.db2.gz LPPNMVDDQHHLIZ-UHFFFAOYSA-N 0 0 375.902 4.553 50 0 GJAARN COc1cccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c1 ZINC000004598307 570386775 /nfs/dbraw/zinc/38/67/75/570386775.db2.gz VZDRKOIEPYJVAC-UHFFFAOYSA-N 0 0 391.283 4.619 50 0 GJAARN Cc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1 ZINC000035511784 570388680 /nfs/dbraw/zinc/38/86/80/570388680.db2.gz JIGZRVGTUDFMOE-SFHVURJKSA-N 0 0 386.499 4.543 50 0 GJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 ZINC000004632162 570389057 /nfs/dbraw/zinc/38/90/57/570389057.db2.gz UPEVFCGKJSUQBR-JOCHJYFZSA-N 0 0 380.451 4.964 50 0 GJAARN CCOc1ccccc1CCC(=O)NCCc1ccc(-c2csc(C)n2)cc1 ZINC000024658008 570389087 /nfs/dbraw/zinc/38/90/87/570389087.db2.gz SZXWSTDXFUJMGN-UHFFFAOYSA-N 0 0 394.540 4.809 50 0 GJAARN Cc1ccc(-c2cncc(C(=O)NCc3ccc(Br)cc3)c2)cc1 ZINC000035514647 570389196 /nfs/dbraw/zinc/38/91/96/570389196.db2.gz YMIMYKKBUKZQQH-UHFFFAOYSA-N 0 0 381.273 4.750 50 0 GJAARN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC2=CCCCC2)cc1C ZINC000004649057 570389463 /nfs/dbraw/zinc/38/94/63/570389463.db2.gz RTDMDWSMMDUQCA-JWGURIENSA-N 0 0 392.499 4.674 50 0 GJAARN Cc1ccc(CNC(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000035515022 570389592 /nfs/dbraw/zinc/38/95/92/570389592.db2.gz YXHNTFCJAZYRIQ-GOSISDBHSA-N 0 0 397.478 4.689 50 0 GJAARN COc1ccc(/C=C/c2nnc(COc3ccc(Br)cc3)o2)cc1 ZINC000004657197 570390016 /nfs/dbraw/zinc/39/00/16/570390016.db2.gz WIRCMEBZPFPTJG-NYYWCZLTSA-N 0 0 387.233 4.590 50 0 GJAARN COc1ccccc1NC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2 ZINC000035534853 570390094 /nfs/dbraw/zinc/39/00/94/570390094.db2.gz ZCUKQLMONQWMRA-UHFFFAOYSA-N 0 0 385.876 4.607 50 0 GJAARN COc1ccc(C)cc1NC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2 ZINC000035534858 570390231 /nfs/dbraw/zinc/39/02/31/570390231.db2.gz MXKQWLMOXBTPAG-UHFFFAOYSA-N 0 0 399.903 4.916 50 0 GJAARN COc1cccc(-c2noc(CCN(C(=O)CC(C)(C)C)C3CCCCC3)n2)c1 ZINC000035537720 570390945 /nfs/dbraw/zinc/39/09/45/570390945.db2.gz BZWPHMFRUAVCEV-UHFFFAOYSA-N 0 0 399.535 4.885 50 0 GJAARN CC[C@@]1(C)Cc2ccccc2-c2nc(SC)n(Cc3ccccc3)c(=O)c21 ZINC000004694740 570393978 /nfs/dbraw/zinc/39/39/78/570393978.db2.gz IWPGJNPUOSYCGZ-QHCPKHFHSA-N 0 0 376.525 4.904 50 0 GJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000035530341 570394056 /nfs/dbraw/zinc/39/40/56/570394056.db2.gz RFBNZONNZZAPFY-UHFFFAOYSA-N 0 0 393.531 4.562 50 0 GJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(N2CCCCCC2)nc1 ZINC000032809308 570394516 /nfs/dbraw/zinc/39/45/16/570394516.db2.gz ISAMVKCHQVSGHJ-UHFFFAOYSA-N 0 0 389.503 4.517 50 0 GJAARN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 ZINC000004700395 570394701 /nfs/dbraw/zinc/39/47/01/570394701.db2.gz QNSIBACCNJNWBZ-IBGZPJMESA-N 0 0 388.467 4.619 50 0 GJAARN C[C@H](OCCCNC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000024841437 570395902 /nfs/dbraw/zinc/39/59/02/570395902.db2.gz SNFPGDKRWVIRPD-HNNXBMFYSA-N 0 0 386.542 4.698 50 0 GJAARN Cc1ccc(/C=C/C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 ZINC000032903822 570396026 /nfs/dbraw/zinc/39/60/26/570396026.db2.gz KRPVWSNEUDDJJH-SIFUEBAJSA-N 0 0 383.442 4.981 50 0 GJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1cccc2ccccc12 ZINC000032879817 570396617 /nfs/dbraw/zinc/39/66/17/570396617.db2.gz YACUSWWLNLVQQV-CCEZHUSRSA-N 0 0 381.479 4.756 50 0 GJAARN COc1ccccc1[C@@H]1c2cccn2CCN1C(=O)Nc1cccc(C)c1C ZINC000033682723 570397011 /nfs/dbraw/zinc/39/70/11/570397011.db2.gz XAISRUFOZPVKKC-JOCHJYFZSA-N 0 0 375.472 4.751 50 0 GJAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)C1(C)C ZINC000004717202 570397461 /nfs/dbraw/zinc/39/74/61/570397461.db2.gz ODVRQBMHIDGPLA-ICSRJNTNSA-N 0 0 395.572 4.697 50 0 GJAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)[C@@H]1C ZINC000005022533 570398162 /nfs/dbraw/zinc/39/81/62/570398162.db2.gz XBUPEYYGNISJBB-PBFPGSCMSA-N 0 0 385.508 4.995 50 0 GJAARN C[C@H]1CCCN(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)C1 ZINC000005021011 570398273 /nfs/dbraw/zinc/39/82/73/570398273.db2.gz YQFRVYKJNATLIQ-INIZCTEOSA-N 0 0 377.513 4.647 50 0 GJAARN Cc1ccc(N(C)C(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)cc1C ZINC000005022444 570398417 /nfs/dbraw/zinc/39/84/17/570398417.db2.gz UWGNTQZLVUAIPW-UHFFFAOYSA-N 0 0 376.481 4.647 50 0 GJAARN CCOc1ccc(-c2cc(CCCC(=O)NCc3ccc(F)cc3)no2)cc1 ZINC000005028530 570399314 /nfs/dbraw/zinc/39/93/14/570399314.db2.gz IMWVKVYVCUFMRF-UHFFFAOYSA-N 0 0 382.435 4.519 50 0 GJAARN Cc1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000024961897 570399937 /nfs/dbraw/zinc/39/99/37/570399937.db2.gz FSSJNYXEBFJICT-FQEVSTJZSA-N 0 0 376.456 4.758 50 0 GJAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000024967474 570400118 /nfs/dbraw/zinc/40/01/18/570400118.db2.gz GFISXTLQLXURPB-FRRDWIJNSA-N 0 0 397.466 4.634 50 0 GJAARN CON(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S ZINC000024974282 570400519 /nfs/dbraw/zinc/40/05/19/570400519.db2.gz PKYCBLWUEMLBQN-UHFFFAOYSA-N 0 0 395.315 4.828 50 0 GJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1 ZINC000004741100 570401070 /nfs/dbraw/zinc/40/10/70/570401070.db2.gz CIZHVBSVBHYWEN-UHFFFAOYSA-N 0 0 398.462 4.850 50 0 GJAARN Brc1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1 ZINC000005033855 570401986 /nfs/dbraw/zinc/40/19/86/570401986.db2.gz GYLGGBWERLCXRA-UHFFFAOYSA-N 0 0 388.246 4.933 50 0 GJAARN O=C(c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)N1CCCc2ccccc21 ZINC000005033454 570402016 /nfs/dbraw/zinc/40/20/16/570402016.db2.gz OUPKQDRFIYUYHK-HSZRJFAPSA-N 0 0 383.447 4.734 50 0 GJAARN O=C(NC1CC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139885 570402225 /nfs/dbraw/zinc/40/22/25/570402225.db2.gz UKWGBMRBFQDOPQ-UHFFFAOYSA-N 0 0 397.887 4.966 50 0 GJAARN O=C(NCc1cccnc1)c1sc2cc(Br)ccc2c1Cl ZINC000004750197 570402705 /nfs/dbraw/zinc/40/27/05/570402705.db2.gz GMQXVMYRVLXOLE-UHFFFAOYSA-N 0 0 381.682 4.642 50 0 GJAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCC(C)C)cc3NC2=O)c1 ZINC000005035869 570402819 /nfs/dbraw/zinc/40/28/19/570402819.db2.gz JFNBVNHLESNNEN-UDWIEESQSA-N 0 0 380.513 4.856 50 0 GJAARN COc1cc2c(cc1NC(=O)c1cc3ccccc3oc1=O)oc1ccccc12 ZINC000004750248 570402797 /nfs/dbraw/zinc/40/27/97/570402797.db2.gz XGHMFSMRAGESTJ-UHFFFAOYSA-N 0 0 385.375 4.953 50 0 GJAARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cc(F)cc(F)c1 ZINC000024991728 570402806 /nfs/dbraw/zinc/40/28/06/570402806.db2.gz OPQXCOKNVXSXTK-UHFFFAOYSA-N 0 0 382.414 4.592 50 0 GJAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000004776899 570404915 /nfs/dbraw/zinc/40/49/15/570404915.db2.gz TUOBXBQPRHDAKI-UHFFFAOYSA-N 0 0 389.691 4.782 50 0 GJAARN O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc4C3)ncc21 ZINC000004777134 570405032 /nfs/dbraw/zinc/40/50/32/570405032.db2.gz CZNPTYIMVUBLMX-SFHVURJKSA-N 0 0 389.886 4.605 50 0 GJAARN CCOc1ccc(-c2csc(Cc3nc(-c4cccc(F)c4)no3)n2)cc1 ZINC000033298156 570405355 /nfs/dbraw/zinc/40/53/55/570405355.db2.gz VVCRHKGVDPLOGA-UHFFFAOYSA-N 0 0 381.432 4.989 50 0 GJAARN CCc1sc(C(=O)Nc2cccc(Cn3cccn3)c2)cc1Br ZINC000004803529 570406351 /nfs/dbraw/zinc/40/63/51/570406351.db2.gz KTGUKMSSEMIHPG-UHFFFAOYSA-N 0 0 390.306 4.570 50 0 GJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccc(F)c(F)c1 ZINC000033312577 570406428 /nfs/dbraw/zinc/40/64/28/570406428.db2.gz DKZOKCBNPZBAQU-UHFFFAOYSA-N 0 0 388.443 4.521 50 0 GJAARN Cn1c(Cl)cnc1COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000018320874 570406472 /nfs/dbraw/zinc/40/64/72/570406472.db2.gz FVHAPPNJIPZENL-MBWAJUJLSA-N 0 0 384.907 4.655 50 0 GJAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000025159321 570407451 /nfs/dbraw/zinc/40/74/51/570407451.db2.gz IWYMLQLFOSTFRV-HXUWFJFHSA-N 0 0 391.858 4.853 50 0 GJAARN Cc1ccccc1C(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1C1=[NH+]CCCCC1 ZINC000004815846 570407964 /nfs/dbraw/zinc/40/79/64/570407964.db2.gz LRBRXLIRCUQAPO-UHFFFAOYSA-N 0 0 388.471 4.502 50 0 GJAARN Cc1ccc2nc(NC(=O)c3ccn(COc4ccccc4Cl)n3)sc2c1 ZINC000028237290 570408221 /nfs/dbraw/zinc/40/82/21/570408221.db2.gz SMBNBLUNDVVYSL-UHFFFAOYSA-N 0 0 398.875 4.743 50 0 GJAARN Cc1nn(CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1Br ZINC000028237338 570408278 /nfs/dbraw/zinc/40/82/78/570408278.db2.gz KMHRHFWUPAYAQH-UHFFFAOYSA-N 0 0 391.096 4.598 50 0 GJAARN COc1ccccc1NC(=O)c1nc(SCc2ccccc2)ncc1Cl ZINC000004820576 570408657 /nfs/dbraw/zinc/40/86/57/570408657.db2.gz AHCBTONNLAKJMS-UHFFFAOYSA-N 0 0 385.876 4.683 50 0 GJAARN CCCCc1ccc(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004821094 570408789 /nfs/dbraw/zinc/40/87/89/570408789.db2.gz WWPFGWPMNFIADV-QNHAZURESA-N 0 0 382.548 4.689 50 0 GJAARN CCCSc1nnc2n1c(=O)c1c(n2CCC)-c2ccccc2C[C@@]1(C)CC ZINC000005065534 570409612 /nfs/dbraw/zinc/40/96/12/570409612.db2.gz HTZXIXWDISRMGC-JOCHJYFZSA-N 0 0 396.560 4.694 50 0 GJAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000025280093 570409953 /nfs/dbraw/zinc/40/99/53/570409953.db2.gz MSSYZOPYKZGNKK-GFCCVEGCSA-N 0 0 397.500 4.704 50 0 GJAARN O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000005077455 570412827 /nfs/dbraw/zinc/41/28/27/570412827.db2.gz ISZTWPNOTIALPE-UHFFFAOYSA-N 0 0 381.476 4.720 50 0 GJAARN COc1cccc(OC)c1C(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1 ZINC000005083728 570413479 /nfs/dbraw/zinc/41/34/79/570413479.db2.gz DLBRPAFZJHRXPP-UHFFFAOYSA-N 0 0 393.468 4.641 50 0 GJAARN CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000004868222 570414117 /nfs/dbraw/zinc/41/41/17/570414117.db2.gz LFNLLUONUHFKIG-UHFFFAOYSA-N 0 0 388.467 4.610 50 0 GJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000013002416 570414199 /nfs/dbraw/zinc/41/41/99/570414199.db2.gz FJRVZIRZRBUWOI-KRWDZBQOSA-N 0 0 390.439 4.563 50 0 GJAARN COc1ccc([C@@H]2N=C(c3ccc(C)cc3)[C@H]3[C@@H](c4ccccc4)N32)cc1OC ZINC000025504066 570414985 /nfs/dbraw/zinc/41/49/85/570414985.db2.gz LYAALMLMHYRNEQ-AGQBYSPFSA-N 0 0 384.479 4.939 50 0 GJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc(O)c2)on1 ZINC000004881079 570415017 /nfs/dbraw/zinc/41/50/17/570415017.db2.gz QIAUIHKTWKFHAI-UHFFFAOYSA-N 0 0 382.725 4.972 50 0 GJAARN COc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c(OC)cc1Cl ZINC000004881025 570415049 /nfs/dbraw/zinc/41/50/49/570415049.db2.gz ZIYWSRLWWRQTJF-UHFFFAOYSA-N 0 0 393.226 4.918 50 0 GJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1 ZINC000004881135 570415149 /nfs/dbraw/zinc/41/51/49/570415149.db2.gz SZZDQIUNADTHQL-UHFFFAOYSA-N 0 0 396.447 4.656 50 0 GJAARN Cc1cc2nc(C)c(CCC(=O)N[C@H](C)c3cccc4ccccc43)c(C)n2n1 ZINC000013005815 570415181 /nfs/dbraw/zinc/41/51/81/570415181.db2.gz OVLRMTVEUADQRU-QGZVFWFLSA-N 0 0 386.499 4.618 50 0 GJAARN CCOc1cc2c(cc1NC(=O)c1nc(-c3ccco3)sc1C)O[C@@H](C)C2 ZINC000013005979 570415585 /nfs/dbraw/zinc/41/55/85/570415585.db2.gz XBRBSTDQXGMHBV-NSHDSACASA-N 0 0 384.457 4.686 50 0 GJAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000035684842 570416255 /nfs/dbraw/zinc/41/62/55/570416255.db2.gz OFTQFPDHUMMCQN-MRXNPFEDSA-N 0 0 398.825 4.823 50 0 GJAARN Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(N4CCOC4=O)c3C)o2)cc1C ZINC000123575516 570416896 /nfs/dbraw/zinc/41/68/96/570416896.db2.gz ZHORUSMIAIDMNW-MRXNPFEDSA-N 0 0 392.459 4.792 50 0 GJAARN Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1cccs1 ZINC000005100961 570417445 /nfs/dbraw/zinc/41/74/45/570417445.db2.gz CDOXTWKAEJRBSI-UHFFFAOYSA-N 0 0 399.479 4.875 50 0 GJAARN CCOc1cc2c(cc1NC(=O)Cc1cccc(C(F)(F)F)c1)O[C@H](C)C2 ZINC000013013010 570417897 /nfs/dbraw/zinc/41/78/97/570417897.db2.gz LRIGQRLKUFOBQI-GFCCVEGCSA-N 0 0 379.378 4.609 50 0 GJAARN O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl ZINC000004918461 570418324 /nfs/dbraw/zinc/41/83/24/570418324.db2.gz XOXMYTIDOLZABV-UHFFFAOYSA-N 0 0 383.344 4.567 50 0 GJAARN Cc1c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cnn1-c1ccccc1F ZINC000025762983 570419160 /nfs/dbraw/zinc/41/91/60/570419160.db2.gz WKOWEWVEWYMZDZ-UHFFFAOYSA-N 0 0 394.450 4.557 50 0 GJAARN COc1ccc(Br)cc1/C=C/C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004949383 570419551 /nfs/dbraw/zinc/41/95/51/570419551.db2.gz NGIYXCLTEFTVDL-GORDUTHDSA-N 0 0 390.321 4.556 50 0 GJAARN COc1cc(CN2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000004980533 570421230 /nfs/dbraw/zinc/42/12/30/570421230.db2.gz INYOSINQIJOQKT-UHFFFAOYSA-N 0 0 388.511 4.596 50 0 GJAARN CC(C)CN(Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S)C1CC1 ZINC000026625599 570421770 /nfs/dbraw/zinc/42/17/70/570421770.db2.gz PCBCNEZLMWCQHP-UHFFFAOYSA-N 0 0 393.560 4.602 50 0 GJAARN COc1ccc(OC)c(CN(C(=O)c2cc(F)c(Cl)cc2Cl)C2CC2)c1 ZINC000026029671 570421806 /nfs/dbraw/zinc/42/18/06/570421806.db2.gz HNBNINPITQJWEE-UHFFFAOYSA-N 0 0 398.261 4.955 50 0 GJAARN O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1CCc1ccccc1 ZINC000026039943 570421902 /nfs/dbraw/zinc/42/19/02/570421902.db2.gz GYCZRWNBVVYSQG-UHFFFAOYSA-N 0 0 398.506 4.750 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000005128562 570422292 /nfs/dbraw/zinc/42/22/92/570422292.db2.gz LZDSDSSDKWZIJP-UHFFFAOYSA-N 0 0 379.803 4.804 50 0 GJAARN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 ZINC000006440781 570423348 /nfs/dbraw/zinc/42/33/48/570423348.db2.gz LEGNSJIDAPOLIC-DZGCQCFKSA-N 0 0 377.510 4.974 50 0 GJAARN O=C(Nc1n[nH]c(C(F)(F)F)n1)c1sc2cccc(Cl)c2c1Cl ZINC000026251505 570423823 /nfs/dbraw/zinc/42/38/23/570423823.db2.gz WSJLQYWJBARTNY-UHFFFAOYSA-N 0 0 381.166 4.597 50 0 GJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cccc(F)c1 ZINC000005136263 570424826 /nfs/dbraw/zinc/42/48/26/570424826.db2.gz FADALNZXWZDKJR-UHFFFAOYSA-N 0 0 380.444 4.733 50 0 GJAARN COc1cc(C2(CNC(=O)C3CCCCC3)CCCC2)ccc1OC(F)F ZINC000026700269 570425413 /nfs/dbraw/zinc/42/54/13/570425413.db2.gz RYIKPZBJOVUIPK-UHFFFAOYSA-N 0 0 381.463 4.805 50 0 GJAARN C[C@H](CNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)c1ccccc1 ZINC000005144568 570426404 /nfs/dbraw/zinc/42/64/04/570426404.db2.gz SNAJQWVUFGNOLG-MRXNPFEDSA-N 0 0 379.529 4.820 50 0 GJAARN COc1ccc([C@@H]2NC(=S)N=C3C(=C4SCCCS4)CCCC32)cc1 ZINC000006457807 570426663 /nfs/dbraw/zinc/42/66/63/570426663.db2.gz NBILIPQRUUCYCE-INIZCTEOSA-N 0 0 390.599 4.734 50 0 GJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000005054045 570426785 /nfs/dbraw/zinc/42/67/85/570426785.db2.gz MIZCPRKIOUIVDP-OXJNMPFZSA-N 0 0 396.531 4.644 50 0 GJAARN CC(=O)Oc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 ZINC000005059435 570426996 /nfs/dbraw/zinc/42/69/96/570426996.db2.gz QOXNAJZYVSCGHT-DTQAZKPQSA-N 0 0 397.434 4.736 50 0 GJAARN O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCc1ccccc1 ZINC000005146529 570427135 /nfs/dbraw/zinc/42/71/35/570427135.db2.gz UIHYUWXEYZIUNP-UHFFFAOYSA-N 0 0 395.915 4.618 50 0 GJAARN COc1cccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)c1 ZINC000005071077 570428095 /nfs/dbraw/zinc/42/80/95/570428095.db2.gz PLQAGDHYYQIPNJ-UHFFFAOYSA-N 0 0 398.491 4.979 50 0 GJAARN COc1ccc(-n2nc3ccc(NC(=O)c4oc5ccccc5c4C)cc3n2)cc1 ZINC000005094597 570428987 /nfs/dbraw/zinc/42/89/87/570428987.db2.gz UJLNJDLCTNSZQF-UHFFFAOYSA-N 0 0 398.422 4.736 50 0 GJAARN CCc1cccc(CC)c1-n1c(N)c(C(=O)NCc2ccccc2)sc1=S ZINC000032952336 570429190 /nfs/dbraw/zinc/42/91/90/570429190.db2.gz HNUNKNPEBBEHCK-UHFFFAOYSA-N 0 0 397.569 4.905 50 0 GJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccccc2)cc1 ZINC000239386721 570429781 /nfs/dbraw/zinc/42/97/81/570429781.db2.gz QDFYVWRFPZHCGO-UPVQGACJSA-N 0 0 386.451 4.946 50 0 GJAARN CCN(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc2ccccc2s1 ZINC000026908996 570429795 /nfs/dbraw/zinc/42/97/95/570429795.db2.gz ZUDMAVUFEGVGJM-QGZVFWFLSA-N 0 0 382.485 4.521 50 0 GJAARN Cc1ccc(F)c(N[C@@H]2CCCN(C(=O)c3cccc(Br)c3)C2)c1 ZINC000037578669 570429929 /nfs/dbraw/zinc/42/99/29/570429929.db2.gz NJRRROKDFBMLMV-MRXNPFEDSA-N 0 0 391.284 4.613 50 0 GJAARN CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000005128823 570430076 /nfs/dbraw/zinc/43/00/76/570430076.db2.gz HSCCCROQJPOYSK-UHFFFAOYSA-N 0 0 378.859 4.889 50 0 GJAARN CCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccc(C)cc1 ZINC000037588103 570430226 /nfs/dbraw/zinc/43/02/26/570430226.db2.gz QXKVOSQSFNDIET-UHFFFAOYSA-N 0 0 391.334 4.914 50 0 GJAARN Cc1nc(SCC(=O)C(C)(C)C)[nH]c(=O)c1Cc1c(F)cccc1Cl ZINC000005176430 570430647 /nfs/dbraw/zinc/43/06/47/570430647.db2.gz VJFHSOLJTCZYSL-UHFFFAOYSA-N 0 0 382.888 4.581 50 0 GJAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000032953304 570432643 /nfs/dbraw/zinc/43/26/43/570432643.db2.gz HDCYGJKKWJAZIJ-UHFFFAOYSA-N 0 0 397.434 4.629 50 0 GJAARN CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(C)c1 ZINC000005155548 570432874 /nfs/dbraw/zinc/43/28/74/570432874.db2.gz ZEZDKEFXAWVGRY-UHFFFAOYSA-N 0 0 384.480 4.533 50 0 GJAARN COc1cccc([C@H]2C[C@@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 ZINC000072270310 570434976 /nfs/dbraw/zinc/43/49/76/570434976.db2.gz NUICLNMFNXEAMK-RTWAWAEBSA-N 0 0 392.524 4.840 50 0 GJAARN Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000092647538 570438180 /nfs/dbraw/zinc/43/81/80/570438180.db2.gz KJOAXIXYHRRBAL-UHFFFAOYSA-N 0 0 393.878 4.672 50 0 GJAARN Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cc(F)cc2cccnc21 ZINC000092647235 570438556 /nfs/dbraw/zinc/43/85/56/570438556.db2.gz YQFMITWGMVMWIB-UHFFFAOYSA-N 0 0 380.810 4.774 50 0 GJAARN CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)c1 ZINC000027663874 570439203 /nfs/dbraw/zinc/43/92/03/570439203.db2.gz 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570447548 /nfs/dbraw/zinc/44/75/48/570447548.db2.gz WUBAJOPYKGHPBM-UHFFFAOYSA-N 0 0 386.249 4.841 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1F ZINC000011916797 570448045 /nfs/dbraw/zinc/44/80/45/570448045.db2.gz KTGDUEIJDUIYBT-UHFFFAOYSA-N 0 0 375.197 4.804 50 0 GJAARN COC(=O)c1sccc1NC(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000005719941 570453023 /nfs/dbraw/zinc/45/30/23/570453023.db2.gz SLKSKGNEWJRTQD-UHFFFAOYSA-N 0 0 398.918 4.529 50 0 GJAARN O=[N+]([O-])c1ccc(C(N=Nc2ccccc2)N=Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000252605356 570454363 /nfs/dbraw/zinc/45/43/63/570454363.db2.gz GJNUUPUZKFKPSG-UHFFFAOYSA-N 0 0 380.320 4.654 50 0 GJAARN COc1ccc(F)cc1-c1csc(NC(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000044542773 570455066 /nfs/dbraw/zinc/45/50/66/570455066.db2.gz JTYKTYYTGGVJLE-UHFFFAOYSA-N 0 0 398.246 4.912 50 0 GJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 ZINC000005864426 570459807 /nfs/dbraw/zinc/45/98/07/570459807.db2.gz KTUSADUJUDZYKS-UHFFFAOYSA-N 0 0 377.828 4.568 50 0 GJAARN 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Cc1ccc(C(C)C)c(OCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000008992852 570545384 /nfs/dbraw/zinc/54/53/84/570545384.db2.gz FDVFXEBBJRKHQR-UHFFFAOYSA-N 0 0 391.515 4.780 50 0 GJAARN CC(C)c1ccc(OCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 ZINC000022768765 570545849 /nfs/dbraw/zinc/54/58/49/570545849.db2.gz BFVDNNVGOXDYQV-UHFFFAOYSA-N 0 0 390.439 4.906 50 0 GJAARN CCC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C1CCCCC1 ZINC000006712469 570547533 /nfs/dbraw/zinc/54/75/33/570547533.db2.gz UODGDYPYMPYPPM-UHFFFAOYSA-N 0 0 399.579 4.953 50 0 GJAARN Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(C(F)F)n1 ZINC000035076028 570549127 /nfs/dbraw/zinc/54/91/27/570549127.db2.gz SXSGXWCSHSVPGB-UHFFFAOYSA-N 0 0 381.304 4.694 50 0 in-vitro GJAARN C[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000009135095 570550465 /nfs/dbraw/zinc/55/04/65/570550465.db2.gz MYCAZMDYGQEONG-FRFSOERESA-N 0 0 392.425 4.558 50 0 GJAARN Cc1cc(C)c(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)c(C)c1 ZINC000005304476 570550539 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O=C(C1CCCC1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)C1CC1 ZINC000036161044 570555781 /nfs/dbraw/zinc/55/57/81/570555781.db2.gz OLSQIVVNNLOQMF-UHFFFAOYSA-N 0 0 379.504 4.623 50 0 GJAARN Nc1c(NC(=O)NC2CCCCC2)c(-c2ccccc2)nn1-c1ccccc1F ZINC000035868122 570558272 /nfs/dbraw/zinc/55/82/72/570558272.db2.gz VZUVEKDGAFIJTB-UHFFFAOYSA-N 0 0 393.466 4.715 50 0 GJAARN COCCN(Cc1cc(-c2cc(C)ccc2C)on1)C(=O)c1ccc(C)cc1 ZINC000036005564 570559196 /nfs/dbraw/zinc/55/91/96/570559196.db2.gz DJGKRYPDQMERLB-UHFFFAOYSA-N 0 0 378.472 4.556 50 0 GJAARN Cc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc21 ZINC000022890508 570560845 /nfs/dbraw/zinc/56/08/45/570560845.db2.gz QTDQBMMSDWDUMG-CQSZACIVSA-N 0 0 378.925 4.960 50 0 GJAARN NC(=O)CSc1nc(-c2ccccc2)nc2c1Cc1c(ccc3ccccc31)O2 ZINC000006738938 570560922 /nfs/dbraw/zinc/56/09/22/570560922.db2.gz YYSRQQLSYZEQFA-UHFFFAOYSA-N 0 0 399.475 4.571 50 0 GJAARN COc1ccc(-c2nnn3c2nc(NCc2ccc(C)cc2)c2ccccc23)cc1 ZINC000006738872 570561023 /nfs/dbraw/zinc/56/10/23/570561023.db2.gz 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Cc1ccn2cc(-c3ccc(C)c(NS(=O)(=O)c4cccc(C)c4)c3)nc2c1 ZINC000006748130 570566270 /nfs/dbraw/zinc/56/62/70/570566270.db2.gz GKNSDNMTKMKGAL-UHFFFAOYSA-N 0 0 391.496 4.727 50 0 GJAARN CCc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccccc4n3)ccc2C)cc1 ZINC000006748137 570566344 /nfs/dbraw/zinc/56/63/44/570566344.db2.gz KMWFKZGSEMRGJB-UHFFFAOYSA-N 0 0 391.496 4.673 50 0 GJAARN C=C1C[C@@H]2[C@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000005383438 570570081 /nfs/dbraw/zinc/57/00/81/570570081.db2.gz YCDZXIYKJHQMIG-BZRZIXHKSA-N 0 0 384.516 4.575 50 0 GJAARN Cc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000006753254 570570752 /nfs/dbraw/zinc/57/07/52/570570752.db2.gz CQZQDPZQJNELTQ-QHCPKHFHSA-N 0 0 399.450 4.738 50 0 aggregator GJAARN CCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC000006753168 570572483 /nfs/dbraw/zinc/57/24/83/570572483.db2.gz YIDLUPQYEQHHSI-KRWDZBQOSA-N 0 0 377.488 4.756 50 0 GJAARN COc1cccc(C(=O)Nc2nnc(SCc3cc(C)ccc3C)s2)c1 ZINC000004328481 570573043 /nfs/dbraw/zinc/57/30/43/570573043.db2.gz VKNGJZHMSMBASX-UHFFFAOYSA-N 0 0 385.514 4.708 50 0 GJAARN CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CCCCC3)cc21 ZINC000032986657 570574343 /nfs/dbraw/zinc/57/43/43/570574343.db2.gz PKNZTAOXUOEAEM-UHFFFAOYSA-N 0 0 390.483 4.935 50 0 GJAARN COc1ccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)s2)cc1 ZINC000006764304 570576111 /nfs/dbraw/zinc/57/61/11/570576111.db2.gz BSQAIRXVRJZIOC-UHFFFAOYSA-N 0 0 391.496 4.581 50 0 GJAARN CC(C)C(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006764813 570576338 /nfs/dbraw/zinc/57/63/38/570576338.db2.gz FGBLEEKKUOVODL-IBGZPJMESA-N 0 0 388.870 4.657 50 0 GJAARN Cc1ccc(NC(=O)Nc2nnc(N(C)Cc3ccccc3)s2)c(Cl)c1 ZINC000006768009 570578761 /nfs/dbraw/zinc/57/87/61/570578761.db2.gz XWARHWLIXPVKKN-UHFFFAOYSA-N 0 0 387.896 4.780 50 0 GJAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000011667279 570578801 /nfs/dbraw/zinc/57/88/01/570578801.db2.gz WUEZOPBJOSUMQZ-CQSZACIVSA-N 0 0 379.847 4.822 50 0 GJAARN CCc1ccc(NC(=O)Nc2nnc(N(CC(C)C)CC(C)C)s2)cc1 ZINC000006768108 570579069 /nfs/dbraw/zinc/57/90/69/570579069.db2.gz WRNJMDSDGYETNY-UHFFFAOYSA-N 0 0 375.542 4.863 50 0 GJAARN COc1ccc(-c2nc(CN3CCCC[C@H]3c3ccccn3)c(C)o2)c(OC)c1 ZINC000011668162 570579300 /nfs/dbraw/zinc/57/93/00/570579300.db2.gz RGXOVBJDGCXGCH-NRFANRHFSA-N 0 0 393.487 4.789 50 0 GJAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1 ZINC000011667382 570579413 /nfs/dbraw/zinc/57/94/13/570579413.db2.gz CHFNIWLRHAVLQX-KRWDZBQOSA-N 0 0 389.455 4.589 50 0 GJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](OCc2cccnc2)C1 ZINC000011667817 570579588 /nfs/dbraw/zinc/57/95/88/570579588.db2.gz LTCMWJFACHABQC-HXUWFJFHSA-N 0 0 397.906 4.880 50 0 GJAARN COc1cccc([C@@H](C)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000036246913 570581198 /nfs/dbraw/zinc/58/11/98/570581198.db2.gz QTNNRVUCAHBCMF-GOSISDBHSA-N 0 0 381.497 4.960 50 0 GJAARN COc1cccc([C@H](C)N(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000036246916 570581237 /nfs/dbraw/zinc/58/12/37/570581237.db2.gz 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Cc1cc(C)c(C(=O)COc2cccc(C(=O)NCc3ccccc3)c2)c(C)c1 ZINC000002623427 570591319 /nfs/dbraw/zinc/59/13/19/570591319.db2.gz BRSZVTUYHNXIPG-UHFFFAOYSA-N 0 0 387.479 4.804 50 0 GJAARN COc1cccc([C@@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 ZINC000006786928 570592530 /nfs/dbraw/zinc/59/25/30/570592530.db2.gz HOAZSJKFHGKIIY-HSZRJFAPSA-N 0 0 399.425 4.974 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Br)s3)o2)c1 ZINC000005434668 570593637 /nfs/dbraw/zinc/59/36/37/570593637.db2.gz HIRGVVHFVCGGTR-UHFFFAOYSA-N 0 0 395.303 4.844 50 0 GJAARN C[C@@H](NC(=O)COc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005445180 570595151 /nfs/dbraw/zinc/59/51/51/570595151.db2.gz SOHHHFBZPZCLGV-XXWNAHEMSA-N 0 0 392.337 4.549 50 0 GJAARN Cc1ccc(C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1 ZINC000003196494 570596071 /nfs/dbraw/zinc/59/60/71/570596071.db2.gz LDIZNHAYEVOVDT-UHFFFAOYSA-N 0 0 377.284 4.560 50 0 GJAARN Cc1ccccc1NC(=O)[C@@]1(c2ccsc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000005451729 570597157 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/nfs/dbraw/zinc/66/12/31/570661231.db2.gz HAYPYZIJJAUFIK-UHFFFAOYSA-N 0 0 388.895 4.599 50 0 GJAARN Cc1c([C@H](C)NC(=O)C2(c3ccccc3)CCCCC2)cnn1-c1ccccn1 ZINC000012434612 570661731 /nfs/dbraw/zinc/66/17/31/570661731.db2.gz MOYGXGLYAUXSBG-SFHVURJKSA-N 0 0 388.515 4.655 50 0 GJAARN O=C(CSc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000012406653 570662199 /nfs/dbraw/zinc/66/21/99/570662199.db2.gz TVVZIHBEGBKVOH-UHFFFAOYSA-N 0 0 376.437 4.931 50 0 GJAARN O=C(N[C@H]1CCCc2ccccc21)c1cc(COc2ccc3ncccc3c2)on1 ZINC000012436259 570662210 /nfs/dbraw/zinc/66/22/10/570662210.db2.gz WCDQSSHBRHAGEY-QFIPXVFZSA-N 0 0 399.450 4.609 50 0 GJAARN Cc1cc(C)cc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)c1 ZINC000169759624 570662315 /nfs/dbraw/zinc/66/23/15/570662315.db2.gz VRGHYPZHQIHNFE-HXUWFJFHSA-N 0 0 381.863 4.677 50 0 GJAARN CCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1 ZINC000012439604 570663444 /nfs/dbraw/zinc/66/34/44/570663444.db2.gz UWCOPBVPRLUZSB-LJQANCHMSA-N 0 0 389.499 4.812 50 0 GJAARN O[C@@H](COc1ccc(Cl)cc1)Cn1c(Cc2ccccc2)nc2ccccc21 ZINC000005589677 570664260 /nfs/dbraw/zinc/66/42/60/570664260.db2.gz YUYBLQFXWQOPGA-LJQANCHMSA-N 0 0 392.886 4.720 50 0 GJAARN O=C(C1CCC1)N(Cc1ccccc1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000006872424 570664426 /nfs/dbraw/zinc/66/44/26/570664426.db2.gz UQSBPCHPNLVXKY-SFHVURJKSA-N 0 0 382.891 4.662 50 0 GJAARN CC(C)(C)NC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000006872936 570664827 /nfs/dbraw/zinc/66/48/27/570664827.db2.gz UMKLZIDEUHFKOO-LJQANCHMSA-N 0 0 399.922 4.843 50 0 GJAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 ZINC000012442806 570664920 /nfs/dbraw/zinc/66/49/20/570664920.db2.gz BLEBOXITSNUPCJ-QGZVFWFLSA-N 0 0 384.451 4.740 50 0 GJAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C(=O)NC(C)C)C2)cc1 ZINC000006874332 570665312 /nfs/dbraw/zinc/66/53/12/570665312.db2.gz FPPZCHJFFDJOMJ-LJQANCHMSA-N 0 0 399.922 4.762 50 0 GJAARN Cc1cc([C@H](C)NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c(C)s1 ZINC000229832520 570666887 /nfs/dbraw/zinc/66/68/87/570666887.db2.gz POWDVQDWJIOGGT-DZKIICNBSA-N 0 0 387.549 4.861 50 0 GJAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4C)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000229893766 570667292 /nfs/dbraw/zinc/66/72/92/570667292.db2.gz CYLDEGQGXAFYIQ-DQTMNYIRSA-N 0 0 392.543 4.648 50 0 GJAARN O=C(CCCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013694904 570669168 /nfs/dbraw/zinc/66/91/68/570669168.db2.gz XUBWJBZIEMRPKE-UHFFFAOYSA-N 0 0 390.508 4.912 50 0 GJAARN COc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC ZINC000005616772 570670414 /nfs/dbraw/zinc/67/04/14/570670414.db2.gz YGEXAAYPVQHVNO-NSHDSACASA-N 0 0 384.259 4.725 50 0 GJAARN Cc1ccc(Cl)c(NC(=O)CSc2nncn2-c2ccccc2)c1Cl ZINC000005621973 570672350 /nfs/dbraw/zinc/67/23/50/570672350.db2.gz WCCPQQPNRDNXQL-UHFFFAOYSA-N 0 0 393.299 4.613 50 0 GJAARN CCN1c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766160 570673514 /nfs/dbraw/zinc/67/35/14/570673514.db2.gz XPCPYEWLAXNZQM-OAQYLSRUSA-N 0 0 395.478 4.569 50 0 GJAARN Cn1c(COc2ccc(Cl)cc2)nn(CN(C2CC2)C2CCCC2)c1=S ZINC000036390987 570674043 /nfs/dbraw/zinc/67/40/43/570674043.db2.gz MPGZICQCMABVKD-UHFFFAOYSA-N 0 0 392.956 4.548 50 0 GJAARN C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006880995 570675962 /nfs/dbraw/zinc/67/59/62/570675962.db2.gz RUUSNCVZPWZRDU-LBPRGKRZSA-N 0 0 385.722 4.956 50 0 GJAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CCS1 ZINC000219267082 570676262 /nfs/dbraw/zinc/67/62/62/570676262.db2.gz DUCPXFKSRUBSDR-QFIPXVFZSA-N 0 0 391.540 4.560 50 0 GJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4C)c3)cn2n1 ZINC000012441243 570676759 /nfs/dbraw/zinc/67/67/59/570676759.db2.gz KXHINCCZYHTKLM-UHFFFAOYSA-N 0 0 392.846 4.619 50 0 GJAARN Cc1nc(/C=C/C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cs1 ZINC000036393638 570678320 /nfs/dbraw/zinc/67/83/20/570678320.db2.gz BIBYHJCXENZJQY-TZZQJPOUSA-N 0 0 382.460 4.540 50 0 GJAARN CCC(C)(C)NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 ZINC000032579115 570678306 /nfs/dbraw/zinc/67/83/06/570678306.db2.gz UTOJSOYPMCLZNT-UHFFFAOYSA-N 0 0 379.460 4.542 50 0 GJAARN Cc1ccc(C)c(C(=O)CSc2nccn(-c3ccc(C(C)C)cc3)c2=O)c1 ZINC000033039890 570678684 /nfs/dbraw/zinc/67/86/84/570678684.db2.gz BULVJQWQVUNVNJ-UHFFFAOYSA-N 0 0 392.524 4.948 50 0 GJAARN O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(SC2CCCC2)cc1 ZINC000036396150 570679640 /nfs/dbraw/zinc/67/96/40/570679640.db2.gz DIPRTWGOMLMFMR-UHFFFAOYSA-N 0 0 382.485 4.658 50 0 GJAARN Cc1oc(-c2cccc(C)c2)nc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055042358 570680085 /nfs/dbraw/zinc/68/00/85/570680085.db2.gz CUZYXMWFJRWURM-OAQYLSRUSA-N 0 0 377.488 4.535 50 0 GJAARN CCc1ccc(C(=O)N2CCC(c3noc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000065076747 570680935 /nfs/dbraw/zinc/68/09/35/570680935.db2.gz USADFDGLWZSOAY-UHFFFAOYSA-N 0 0 375.472 4.627 50 0 GJAARN Cc1ccc(SC2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)cc1 ZINC000012588763 570685835 /nfs/dbraw/zinc/68/58/35/570685835.db2.gz LSRPBDPHMZXDTD-UHFFFAOYSA-N 0 0 397.519 4.865 50 0 GJAARN COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000015956207 570686017 /nfs/dbraw/zinc/68/60/17/570686017.db2.gz FWOFSGVAIHDXDD-RJCXXIGRSA-N 0 0 391.511 4.603 50 0 biogenic GJAARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc3c2CCCC3)cc1C ZINC000065084861 570687784 /nfs/dbraw/zinc/68/77/84/570687784.db2.gz BKVRIQLIXVGVGH-UHFFFAOYSA-N 0 0 386.495 4.853 50 0 GJAARN CCC(CC)n1ncc(C)c1NC(=O)c1ccccc1NCc1ccccn1 ZINC000055244990 570688872 /nfs/dbraw/zinc/68/88/72/570688872.db2.gz SRUPMWRJGFJROU-UHFFFAOYSA-N 0 0 377.492 4.812 50 0 GJAARN CCCN(Cc1ccccn1)C(=O)c1ccc(CSc2ccccn2)cc1 ZINC000055393159 570693978 /nfs/dbraw/zinc/69/39/78/570693978.db2.gz ZSZNVHXTHDNYLU-UHFFFAOYSA-N 0 0 377.513 4.821 50 0 GJAARN Cc1cccc(-c2noc(CN(C(=S)Nc3ccccc3C)C(C)C)n2)c1 ZINC000012654226 570695911 /nfs/dbraw/zinc/69/59/11/570695911.db2.gz SRMKAWYVOHGJJX-UHFFFAOYSA-N 0 0 380.517 4.961 50 0 GJAARN CCC[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)OCC ZINC000004356779 570696393 /nfs/dbraw/zinc/69/63/93/570696393.db2.gz BIRQRHPKLBCTFU-SFHVURJKSA-N 0 0 399.491 4.897 50 0 GJAARN CC[C@@H](C)[NH2+]Cc1c2ccc(C)cc2n(Cc2ccc(OC)cc2)c1C(=O)[O-] ZINC000006901302 570697020 /nfs/dbraw/zinc/69/70/20/570697020.db2.gz AODPIWUOACBAMG-MRXNPFEDSA-N 0 0 380.488 4.593 50 0 GJAARN CC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 ZINC000006906434 570697817 /nfs/dbraw/zinc/69/78/17/570697817.db2.gz XNHMGTQYYJMJDZ-UHFFFAOYSA-N 0 0 396.556 4.951 50 0 GJAARN CC[C@@H](C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000013807253 570697925 /nfs/dbraw/zinc/69/79/25/570697925.db2.gz WWQLNDMYYBVNLM-SJORKVTESA-N 0 0 377.488 4.612 50 0 GJAARN Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000033048494 570699678 /nfs/dbraw/zinc/69/96/78/570699678.db2.gz PHJSTQVUMBPGMR-UHFFFAOYSA-N 0 0 383.313 4.833 50 0 GJAARN Cc1ccc2c(ncc(C(=O)N3CCC[C@@H](C)C3)c2Nc2cc(F)cc(F)c2)n1 ZINC000065114601 570700006 /nfs/dbraw/zinc/70/00/06/570700006.db2.gz QIDPHWFKOFZIRL-CYBMUJFWSA-N 0 0 396.441 4.832 50 0 GJAARN Cc1cccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2C(C)C)c1 ZINC000057291758 570701751 /nfs/dbraw/zinc/70/17/51/570701751.db2.gz GTPIUEWQPGPZCP-UHFFFAOYSA-N 0 0 392.528 4.516 50 0 GJAARN C[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000006929221 570708699 /nfs/dbraw/zinc/70/86/99/570708699.db2.gz GIWWCJGEJQEIGD-QMHKHESXSA-N 0 0 395.462 4.740 50 0 GJAARN CC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000036442619 570709047 /nfs/dbraw/zinc/70/90/47/570709047.db2.gz MRDRDAGEXQMFNR-OAQYLSRUSA-N 0 0 396.537 4.598 50 0 GJAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2cccc(Cl)c2)n1 ZINC000065135949 570709467 /nfs/dbraw/zinc/70/94/67/570709467.db2.gz FYFVFKSXGXRBHU-UHFFFAOYSA-N 0 0 395.890 4.721 50 0 GJAARN O=C(Nc1ccccc1I)c1ccccc1C(F)(F)F ZINC000000786409 570709532 /nfs/dbraw/zinc/70/95/32/570709532.db2.gz PUCQAWATCXZBJQ-UHFFFAOYSA-N 0 0 391.130 4.562 50 0 GJAARN CN(C)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1 ZINC000058133207 570710354 /nfs/dbraw/zinc/71/03/54/570710354.db2.gz CCHXSJQOGAEKSD-UHFFFAOYSA-N 0 0 381.442 4.862 50 0 GJAARN O=C(CSc1ccc(F)cc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219322043 570710548 /nfs/dbraw/zinc/71/05/48/570710548.db2.gz AJUNORXXHFTGAG-GOSISDBHSA-N 0 0 397.487 4.903 50 0 GJAARN CCOc1ccc(Cc2nc(-c3ccc4oc(C)nc4c3)no2)cc1OCC ZINC000065149670 570711069 /nfs/dbraw/zinc/71/10/69/570711069.db2.gz ZYVSNTKTQYMACC-UHFFFAOYSA-N 0 0 379.416 4.574 50 0 GJAARN Cn1c(SCCSc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000006939732 570713301 /nfs/dbraw/zinc/71/33/01/570713301.db2.gz CCKHZKIQRUMALN-UHFFFAOYSA-N 0 0 385.436 4.978 50 0 GJAARN COc1cccc(CNc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)c1 ZINC000006935492 570714178 /nfs/dbraw/zinc/71/41/78/570714178.db2.gz AOEZIQCOUOPFIW-UHFFFAOYSA-N 0 0 393.878 4.706 50 0 GJAARN COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1Br ZINC000001121189 570714880 /nfs/dbraw/zinc/71/48/80/570714880.db2.gz SXZKRJHNPVJKMQ-UHFFFAOYSA-N 0 0 398.322 4.690 50 0 GJAARN Cc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1Cl ZINC000006941309 570715105 /nfs/dbraw/zinc/71/51/05/570715105.db2.gz CEZIMPXQMMGFGF-CHWSQXEVSA-N 0 0 384.915 4.551 50 0 GJAARN COCc1c2ccccc2oc1C(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000058174299 570715857 /nfs/dbraw/zinc/71/58/57/570715857.db2.gz OUXZOVXSGCEGIE-UHFFFAOYSA-N 0 0 385.485 4.582 50 0 GJAARN CCOC(=O)[C@@H](Sc1nnc(-c2cccc(C)c2)n1CC)c1ccccc1 ZINC000006946707 570716800 /nfs/dbraw/zinc/71/68/00/570716800.db2.gz KNYHJTHDFZQLOE-SFHVURJKSA-N 0 0 381.501 4.670 50 0 GJAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 ZINC000248248393 570722288 /nfs/dbraw/zinc/72/22/88/570722288.db2.gz NRHSLASWKBQKOJ-UNMCSNQZSA-N 0 0 391.858 4.986 50 0 GJAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1OCC ZINC000000936372 570727316 /nfs/dbraw/zinc/72/73/16/570727316.db2.gz AWZAMRMEXFBNTH-WUXMJOGZSA-N 0 0 390.277 4.898 50 0 GJAARN O=C(C[C@@H]1C=CCC1)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012919984 570728238 /nfs/dbraw/zinc/72/82/38/570728238.db2.gz XUWHWDCEABPXKO-GFCCVEGCSA-N 0 0 377.307 4.791 50 0 GJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000006988693 570729987 /nfs/dbraw/zinc/72/99/87/570729987.db2.gz ZVWMVNIRJRUAJT-UHFFFAOYSA-N 0 0 397.434 4.874 50 0 GJAARN COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000938633 570730694 /nfs/dbraw/zinc/73/06/94/570730694.db2.gz BZOOLSMUBYDZBO-OAHLLOKOSA-N 0 0 385.529 4.867 50 0 GJAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21)N1CCCCCC1 ZINC000032666245 570731777 /nfs/dbraw/zinc/73/17/77/570731777.db2.gz MVQVZLBELHKJBM-UHFFFAOYSA-N 0 0 388.467 4.689 50 0 GJAARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000000940187 570731839 /nfs/dbraw/zinc/73/18/39/570731839.db2.gz JYZFPKOASPALAK-QGZVFWFLSA-N 0 0 390.270 4.568 50 0 GJAARN Cn1c(Cl)c(Cl)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000058431121 570733566 /nfs/dbraw/zinc/73/35/66/570733566.db2.gz FLVWWLKBQXJEJZ-UHFFFAOYSA-N 0 0 394.233 4.588 50 0 GJAARN CCc1nn2c(nc(-c3ccccc3)c2CNC(=O)c2ccc(Cl)cc2)s1 ZINC000065217823 570734429 /nfs/dbraw/zinc/73/44/29/570734429.db2.gz YCTQCOXKZOZSTG-UHFFFAOYSA-N 0 0 396.903 4.604 50 0 GJAARN O=C(Cc1cccc(F)c1)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1 ZINC000065219089 570735318 /nfs/dbraw/zinc/73/53/18/570735318.db2.gz WPGAIWLXNRWUIA-UHFFFAOYSA-N 0 0 397.406 4.925 50 0 GJAARN Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)Nc1cc(F)ccc1F ZINC000007005692 570736601 /nfs/dbraw/zinc/73/66/01/570736601.db2.gz AGWMAAZEOYDMRX-UHFFFAOYSA-N 0 0 392.409 4.810 50 0 GJAARN CCCN(c1ccccc1F)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000007005360 570736607 /nfs/dbraw/zinc/73/66/07/570736607.db2.gz NAXCNFXPRMLBHD-UHFFFAOYSA-N 0 0 388.464 4.703 50 0 GJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(C2CC2)nn1C(C)(C)C ZINC000059038609 570736753 /nfs/dbraw/zinc/73/67/53/570736753.db2.gz ZNSQKXRVXHNSNF-UHFFFAOYSA-N 0 0 379.426 4.807 50 0 GJAARN Cc1cc(C)c(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000000951493 570737048 /nfs/dbraw/zinc/73/70/48/570737048.db2.gz ZACJIBFARCWICD-SFHVURJKSA-N 0 0 398.890 4.606 50 0 GJAARN COc1ccc(-c2cc(=O)c3cc(OC(=O)Cc4ccccc4)ccc3o2)cc1 ZINC000000955665 570737977 /nfs/dbraw/zinc/73/79/77/570737977.db2.gz CEWPDLGSINCUCY-UHFFFAOYSA-N 0 0 386.403 4.617 50 0 GJAARN CC(C)N(Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccc1 ZINC000059833645 570739282 /nfs/dbraw/zinc/73/92/82/570739282.db2.gz ZGNFWWQWJONETG-UHFFFAOYSA-N 0 0 392.322 4.971 50 0 GJAARN O=C(Nc1nnc(C2CC2)s1)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000007007144 570739529 /nfs/dbraw/zinc/73/95/29/570739529.db2.gz FHGYORPFAQHKTR-UHFFFAOYSA-N 0 0 393.497 4.582 50 0 GJAARN Cc1sc2[nH]c([C@@H](C)Nc3ccc(N(C)C(C)C)c(F)c3)nc(=O)c2c1C ZINC000059932752 570739903 /nfs/dbraw/zinc/73/99/03/570739903.db2.gz PDKWPIQNRAAARX-GFCCVEGCSA-N 0 0 388.512 4.758 50 0 GJAARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C(C)=O)cc1 ZINC000000953682 570740059 /nfs/dbraw/zinc/74/00/59/570740059.db2.gz IEACUVZIOAWJFB-UHFFFAOYSA-N 0 0 378.428 4.756 50 0 GJAARN COc1cccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)c1 ZINC000007015334 570741148 /nfs/dbraw/zinc/74/11/48/570741148.db2.gz IDCPOHKLHDCFFA-UHFFFAOYSA-N 0 0 387.435 4.950 50 0 GJAARN CC(C)CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccco3)n2)cc1 ZINC000013006997 570741649 /nfs/dbraw/zinc/74/16/49/570741649.db2.gz UDSLBAKANRRNFW-UHFFFAOYSA-N 0 0 383.473 4.569 50 0 GJAARN O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1Cl ZINC000000976184 570741688 /nfs/dbraw/zinc/74/16/88/570741688.db2.gz VRDCATYAUKZLJS-UHFFFAOYSA-N 0 0 388.858 4.904 50 0 GJAARN C[C@@H](Sc1ccc2ccccc2c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000007025829 570742442 /nfs/dbraw/zinc/74/24/42/570742442.db2.gz ZHXDLTDAIGNCIJ-CQSZACIVSA-N 0 0 385.510 4.575 50 0 GJAARN CC(C)N1c2ccc(C(=O)N3CCCC[C@H]3C)cc2Sc2ncccc2C1=O ZINC000065241424 570745843 /nfs/dbraw/zinc/74/58/43/570745843.db2.gz OMZJQDCXRCMVBM-OAHLLOKOSA-N 0 0 395.528 4.616 50 0 GJAARN COc1ccc(CN(C(=O)c2ccc(Cl)c(Cl)c2)C2CC2)c(OC)c1 ZINC000025291967 570746438 /nfs/dbraw/zinc/74/64/38/570746438.db2.gz FYLOVZZWCUNALR-UHFFFAOYSA-N 0 0 380.271 4.815 50 0 GJAARN C[C@H](C[C@H](OCc1ccccc1)n1nnc2ccccc21)n1nnc2ccccc21 ZINC000001022325 570747152 /nfs/dbraw/zinc/74/71/52/570747152.db2.gz 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CC(C)n1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccco1 ZINC000008389061 570768510 /nfs/dbraw/zinc/76/85/10/570768510.db2.gz VPOWDDHZLQXHQT-UHFFFAOYSA-N 0 0 394.859 4.642 50 0 GJAARN CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032722391 570768690 /nfs/dbraw/zinc/76/86/90/570768690.db2.gz JYSOCZIVZYNRTK-CRYYWNKWSA-N 0 0 377.509 4.972 50 0 GJAARN O=C(CSc1ccccc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1 ZINC000036630040 570774913 /nfs/dbraw/zinc/77/49/13/570774913.db2.gz GOHBHEGCELTKFX-UHFFFAOYSA-N 0 0 386.285 4.836 50 0 GJAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000013692933 570776278 /nfs/dbraw/zinc/77/62/78/570776278.db2.gz APDHVUSENXPALP-CQSZACIVSA-N 0 0 393.487 4.720 50 0 GJAARN CC(C)Cc1cc(-c2nnc3sc(Cc4cccc5ccccc54)nn32)n[nH]1 ZINC000013719232 570779691 /nfs/dbraw/zinc/77/96/91/570779691.db2.gz RANAPWAKKMRPAA-UHFFFAOYSA-N 0 0 388.500 4.518 50 0 GJAARN O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC[C@@H]1c1cccs1 ZINC000067446793 570779856 /nfs/dbraw/zinc/77/98/56/570779856.db2.gz 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COc1ccc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)[nH]c2c1 ZINC000032760155 570795714 /nfs/dbraw/zinc/79/57/14/570795714.db2.gz HUVIQJHDGBKVRP-UHFFFAOYSA-N 0 0 378.428 4.860 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1Cl ZINC000005830847 570796251 /nfs/dbraw/zinc/79/62/51/570796251.db2.gz UYHSSGRCHJHUBK-SNVBAGLBSA-N 0 0 377.774 4.836 50 0 GJAARN CCCCCCOc1ccc(/C=C\C(=O)Nc2nnc(CC)s2)cc1OC ZINC000005845476 570796783 /nfs/dbraw/zinc/79/67/83/570796783.db2.gz DIERZRUWEKSTRR-BENRWUELSA-N 0 0 389.521 4.720 50 0 GJAARN Cc1cc2nc(C)c(CCC(=O)N(C)[C@H](C)c3cc4ccccc4o3)c(C)n2n1 ZINC000032753946 570796964 /nfs/dbraw/zinc/79/69/64/570796964.db2.gz FPHFRDMKIPDBMC-QGZVFWFLSA-N 0 0 390.487 4.553 50 0 GJAARN COc1ccccc1NC(=O)Nc1ccccc1NC(=O)c1ccccc1C ZINC000036709641 570797185 /nfs/dbraw/zinc/79/71/85/570797185.db2.gz CRHXUCDPEGDEIX-UHFFFAOYSA-N 0 0 375.428 4.900 50 0 GJAARN COC(=O)c1ccc(COC(=O)c2c3ccccc3nc3c2C[C@@H](C)CC3)cc1 ZINC000005859819 570797692 /nfs/dbraw/zinc/79/76/92/570797692.db2.gz 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570800278 /nfs/dbraw/zinc/80/02/78/570800278.db2.gz RPPBIUXKEUZGLX-UHFFFAOYSA-N 0 0 396.468 4.660 50 0 GJAARN COc1ccc(Cl)cc1CN[C@H](c1nccn1C)c1ccccc1Cl ZINC000170072134 570801424 /nfs/dbraw/zinc/80/14/24/570801424.db2.gz XCOSFTUTAVKCPV-SFHVURJKSA-N 0 0 376.287 4.615 50 0 GJAARN Cc1ccc(-n2ncc3c2ncn(Cc2ccc(Cl)c(Cl)c2)c3=O)c(C)c1 ZINC000004479319 570801591 /nfs/dbraw/zinc/80/15/91/570801591.db2.gz RBUVPXNLUGZTDE-UHFFFAOYSA-N 0 0 399.281 4.554 50 0 GJAARN CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000065331229 570801778 /nfs/dbraw/zinc/80/17/78/570801778.db2.gz ARLMZGHOZKJNAC-QGZVFWFLSA-N 0 0 381.863 4.787 50 0 GJAARN COc1cc(NC(=O)c2ccc(C(=O)C(F)(F)F)cc2)c(Cl)cc1Cl ZINC000005915372 570803692 /nfs/dbraw/zinc/80/36/92/570803692.db2.gz AONUXTNVAWSGKE-UHFFFAOYSA-N 0 0 392.160 4.999 50 0 GJAARN COc1ccc(C)cc1NC(=O)CCCc1nc2cccnc2n1CCC(C)C ZINC000033072416 570804195 /nfs/dbraw/zinc/80/41/95/570804195.db2.gz UPSCIYFFCJBIOV-UHFFFAOYSA-N 0 0 394.519 4.756 50 0 GJAARN CCOc1ccc(NC(=O)c2sc3nc(C)nc(N4CCCC4)c3c2C)cc1 ZINC000033078933 570805300 /nfs/dbraw/zinc/80/53/00/570805300.db2.gz AMKBUFUPVKKVFS-UHFFFAOYSA-N 0 0 396.516 4.559 50 0 GJAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000063338505 570806877 /nfs/dbraw/zinc/80/68/77/570806877.db2.gz GKXPPJQSVHWISD-UHFFFAOYSA-N 0 0 397.519 4.872 50 0 GJAARN CCc1nc2ccc(C(=O)N3CCc4cc(-c5ccncc5)ccc43)cc2s1 ZINC000238854871 570807541 /nfs/dbraw/zinc/80/75/41/570807541.db2.gz JVIIRNIECPKDDX-UHFFFAOYSA-N 0 0 385.492 5.124 50 0 GJAARN Nc1nc2cc(-c3ccc(Cl)cc3)nn2cc1-c1nc2ccccc2s1 ZINC000005949224 570807702 /nfs/dbraw/zinc/80/77/02/570807702.db2.gz CFKNWVWEZKMNSO-UHFFFAOYSA-N 0 0 377.860 4.909 50 0 GJAARN O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1ccc(F)cc1Cl ZINC000005951085 570808162 /nfs/dbraw/zinc/80/81/62/570808162.db2.gz MQHQEURIFVBIDT-INIZCTEOSA-N 0 0 388.855 4.585 50 0 GJAARN O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1ccc(F)cc1Cl ZINC000005951088 570808250 /nfs/dbraw/zinc/80/82/50/570808250.db2.gz MQHQEURIFVBIDT-MRXNPFEDSA-N 0 0 388.855 4.585 50 0 GJAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N(C)c1ccccc1 ZINC000007160762 570808465 /nfs/dbraw/zinc/80/84/65/570808465.db2.gz GQYCHDPODQGLGU-GFCCVEGCSA-N 0 0 391.418 4.792 50 0 GJAARN C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CCCO1 ZINC000036758243 570808817 /nfs/dbraw/zinc/80/88/17/570808817.db2.gz WYVPAHPKCOCIIY-QAPCUYQASA-N 0 0 378.497 4.774 50 0 GJAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000032784575 570809565 /nfs/dbraw/zinc/80/95/65/570809565.db2.gz QSPXEFCRLVFSMP-UHFFFAOYSA-N 0 0 388.446 4.796 50 0 GJAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1O ZINC000004659494 570809741 /nfs/dbraw/zinc/80/97/41/570809741.db2.gz PYFAKPNFCFIIPZ-GXDHUFHOSA-N 0 0 384.435 4.579 50 0 GJAARN COc1ccc(OC)c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1 ZINC000004659490 570809749 /nfs/dbraw/zinc/80/97/49/570809749.db2.gz KVDROOZIVDUJDK-XNTDXEJSSA-N 0 0 398.462 4.882 50 0 GJAARN O=C(Cc1c(F)cccc1Cl)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000238886315 570811062 /nfs/dbraw/zinc/81/10/62/570811062.db2.gz QBHAFHSLPOAQOG-UHFFFAOYSA-N 0 0 398.865 4.640 50 0 GJAARN CCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000032778198 570811316 /nfs/dbraw/zinc/81/13/16/570811316.db2.gz TWOPSQXRMDSYED-UHFFFAOYSA-N 0 0 394.496 4.702 50 0 GJAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)C12CC3CC(CC(C3)C1)C2 ZINC000036773056 570811818 /nfs/dbraw/zinc/81/18/18/570811818.db2.gz NVDCZASQTAYJTG-UHFFFAOYSA-N 0 0 396.343 4.914 50 0 GJAARN COc1ccccc1NC(=O)CCSCc1ccc(F)cc1Br ZINC000032778831 570812113 /nfs/dbraw/zinc/81/21/13/570812113.db2.gz BYAQKICPYIIGCR-UHFFFAOYSA-N 0 0 398.297 4.859 50 0 GJAARN COc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)c(OC)c1 ZINC000004496646 570812479 /nfs/dbraw/zinc/81/24/79/570812479.db2.gz XYRKVPBYOPNKPQ-UHFFFAOYSA-N 0 0 386.498 4.558 50 0 GJAARN O=C(N[C@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007215460 570816300 /nfs/dbraw/zinc/81/63/00/570816300.db2.gz SJAVTDSHQVRQET-QFIPXVFZSA-N 0 0 395.462 4.793 50 0 GJAARN Cc1cc(S(=O)(=O)n2c(/C=C/c3ccccc3)nc3ccccc32)ccc1F ZINC000004669886 570816953 /nfs/dbraw/zinc/81/69/53/570816953.db2.gz VSJDMCWZUULOIE-SDNWHVSQSA-N 0 0 392.455 4.891 50 0 GJAARN CCc1ccccc1NC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127863 570817256 /nfs/dbraw/zinc/81/72/56/570817256.db2.gz DOFIGSFFDRKFML-HSZRJFAPSA-N 0 0 399.494 4.701 50 0 GJAARN C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NC1CCCC1 ZINC000007220518 570817677 /nfs/dbraw/zinc/81/76/77/570817677.db2.gz OSGSGLWWPXLSQZ-HNNXBMFYSA-N 0 0 379.529 4.746 50 0 GJAARN Cc1cccc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)c1 ZINC000007229843 570817724 /nfs/dbraw/zinc/81/77/24/570817724.db2.gz UEBJCYFKWCFMCO-UHFFFAOYSA-N 0 0 389.484 4.795 50 0 GJAARN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)NC1CCCC1 ZINC000033129507 570819972 /nfs/dbraw/zinc/81/99/72/570819972.db2.gz PYJKMMXJCLGNKI-UHFFFAOYSA-N 0 0 380.473 4.613 50 0 GJAARN COC(=O)c1cccc(NC(=O)Nc2c3ccccc3[nH]c2-c2cccnc2)c1 ZINC000033130726 570821280 /nfs/dbraw/zinc/82/12/80/570821280.db2.gz QBDGCDDKSOMECQ-UHFFFAOYSA-N 0 0 386.411 4.661 50 0 GJAARN CCCCN1C(=S)N=NC1c1cc(Br)c(Br)s1 ZINC000007262098 570821657 /nfs/dbraw/zinc/82/16/57/570821657.db2.gz OIWOYTIZEMTXCD-UHFFFAOYSA-N 0 0 397.161 4.620 50 0 GJAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)NCCC(C)C)c3)nn2)cc1 ZINC000033130977 570821670 /nfs/dbraw/zinc/82/16/70/570821670.db2.gz JXCQVFNTUTUVFT-UHFFFAOYSA-N 0 0 391.471 4.720 50 0 biogenic GJAARN COc1ccc(C(C)=O)cc1COc1ccccc1C(=O)Nc1ccccc1 ZINC000007263297 570821859 /nfs/dbraw/zinc/82/18/59/570821859.db2.gz RFUVISDPEIUGTH-UHFFFAOYSA-N 0 0 375.424 4.729 50 0 GJAARN COc1ccccc1OCC(=O)Oc1ccc2cc(Br)ccc2c1 ZINC000007264486 570821995 /nfs/dbraw/zinc/82/19/95/570821995.db2.gz SNGGUDSPGACJOP-UHFFFAOYSA-N 0 0 387.229 4.595 50 0 GJAARN Cc1c(O)ccc2c(CN[C@@H](C)c3ccc(Cl)cc3Cl)cc(=O)oc12 ZINC000007267709 570822573 /nfs/dbraw/zinc/82/25/73/570822573.db2.gz QMSIHMMLWTZRMG-NSHDSACASA-N 0 0 378.255 4.965 50 0 GJAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccccc1-c1ccccc1 ZINC000007272696 570823871 /nfs/dbraw/zinc/82/38/71/570823871.db2.gz JJGWXNWLZKSEFC-UHFFFAOYSA-N 0 0 389.451 4.510 50 0 GJAARN Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)c1C ZINC000012514768 570825217 /nfs/dbraw/zinc/82/52/17/570825217.db2.gz PSXZTGYJRIFRBF-UHFFFAOYSA-N 0 0 378.447 4.665 50 0 GJAARN CC(C)[C@@H](NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000011223718 570826923 /nfs/dbraw/zinc/82/69/23/570826923.db2.gz KAANKWNMPBJJOS-GOSISDBHSA-N 0 0 384.467 4.712 50 0 GJAARN Cc1ccc(NC(=O)[C@@H](C)n2c(=S)[nH]nc2-c2cccs2)cc1Cl ZINC000065538120 570831764 /nfs/dbraw/zinc/83/17/64/570831764.db2.gz QCTVWDVZHNYKFE-SNVBAGLBSA-N 0 0 378.910 4.831 50 0 GJAARN COc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc1 ZINC000049005242 570833936 /nfs/dbraw/zinc/83/39/36/570833936.db2.gz NNUSGXYKRKKYJP-INIZCTEOSA-N 0 0 390.487 4.705 50 0 GJAARN CCCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000002086545 570834112 /nfs/dbraw/zinc/83/41/12/570834112.db2.gz XSOYSOLBHYIPJD-SJORKVTESA-N 0 0 383.513 4.936 50 0 GJAARN Nc1nc(CSc2nc(-c3ccccc3)cs2)nc(Nc2ccccc2)n1 ZINC000007372370 570835099 /nfs/dbraw/zinc/83/50/99/570835099.db2.gz MVLFJVVFHRRRBV-UHFFFAOYSA-N 0 0 392.513 4.613 50 0 GJAARN Cc1sc2ncn(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)c(=O)c2c1C ZINC000007382925 570835682 /nfs/dbraw/zinc/83/56/82/570835682.db2.gz LVGUJJNRXDVLOQ-UHFFFAOYSA-N 0 0 394.496 4.661 50 0 GJAARN O=C(OCc1coc(-c2ccccc2)n1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000012535625 570835856 /nfs/dbraw/zinc/83/58/56/570835856.db2.gz BBWSASREVFTOPP-UHFFFAOYSA-N 0 0 379.803 4.742 50 0 GJAARN Cc1ccc(SCCC(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1C ZINC000032815115 570835994 /nfs/dbraw/zinc/83/59/94/570835994.db2.gz DVJRWTJWHMYCNP-UHFFFAOYSA-N 0 0 390.936 4.780 50 0 GJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)CC(C)(C)C ZINC000004518826 570836946 /nfs/dbraw/zinc/83/69/46/570836946.db2.gz SMKMICQMDZOVEA-UHFFFAOYSA-N 0 0 398.547 4.526 50 0 GJAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)s1 ZINC000033173988 570837478 /nfs/dbraw/zinc/83/74/78/570837478.db2.gz HFTNQPIVKIOZIE-CYBMUJFWSA-N 0 0 387.455 4.738 50 0 GJAARN Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000012538750 570838354 /nfs/dbraw/zinc/83/83/54/570838354.db2.gz QSWGGASHDVKIDI-UHFFFAOYSA-N 0 0 377.469 4.697 50 0 GJAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C3CCC[C@H]3C2=O)c1Cl ZINC000101946997 570839118 /nfs/dbraw/zinc/83/91/18/570839118.db2.gz FGFDTAJOKSLBBF-CQSZACIVSA-N 0 0 381.863 4.506 50 0 GJAARN O=C(NC1CCCCCC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033170748 570839163 /nfs/dbraw/zinc/83/91/63/570839163.db2.gz WHJYKFHBHKNWKF-UHFFFAOYSA-N 0 0 394.519 4.712 50 0 GJAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl ZINC000003240441 570840382 /nfs/dbraw/zinc/84/03/82/570840382.db2.gz BEUSSTFODAWOHX-QWRGUYRKSA-N 0 0 383.872 4.640 50 0 GJAARN C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 ZINC000012540611 570841544 /nfs/dbraw/zinc/84/15/44/570841544.db2.gz HIXLSIOBMOBCPU-QGZVFWFLSA-N 0 0 387.508 4.995 50 0 GJAARN Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1 ZINC000007424668 570841687 /nfs/dbraw/zinc/84/16/87/570841687.db2.gz OKRLADQTFRERSA-UHFFFAOYSA-N 0 0 382.514 4.600 50 0 GJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)on2)cc1 ZINC000032833458 570845394 /nfs/dbraw/zinc/84/53/94/570845394.db2.gz OWUGPGYIZQAHFI-UHFFFAOYSA-N 0 0 387.395 4.748 50 0 GJAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c1C ZINC000032833745 570845565 /nfs/dbraw/zinc/84/55/65/570845565.db2.gz IJNQFNFVJLIIQQ-UHFFFAOYSA-N 0 0 396.512 4.695 50 0 GJAARN CCC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000007462855 570846964 /nfs/dbraw/zinc/84/69/64/570846964.db2.gz UAOORMCLOPRBGW-ZDUSSCGKSA-N 0 0 385.847 4.935 50 0 GJAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c1 ZINC000102529157 570850062 /nfs/dbraw/zinc/85/00/62/570850062.db2.gz KBHNTPUXJKKMCO-UHFFFAOYSA-N 0 0 397.478 4.800 50 0 GJAARN Cc1nn(-c2ccccc2Cl)c(Cl)c1C[NH2+]CCCCCCC(=O)[O-] ZINC000170593220 570851804 /nfs/dbraw/zinc/85/18/04/570851804.db2.gz MQWKLNDATNYMEK-UHFFFAOYSA-N 0 0 384.307 4.612 50 0 GJAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)C1(C)C ZINC000032843322 570852007 /nfs/dbraw/zinc/85/20/07/570852007.db2.gz PVRCGTNMROAQFF-AEFFLSMTSA-N 0 0 383.517 4.945 50 0 GJAARN CN1c2ccccc2N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O ZINC000071770239 570851994 /nfs/dbraw/zinc/85/19/94/570851994.db2.gz BZAZKYXSNCDOIC-UHFFFAOYSA-N 0 0 382.872 4.648 50 0 GJAARN C[C@@H](c1cccs1)N(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000032845091 570852447 /nfs/dbraw/zinc/85/24/47/570852447.db2.gz FOZSZSCRDLPAAY-INIZCTEOSA-N 0 0 391.496 4.808 50 0 GJAARN Cc1cc2nnc(SCC(=O)NC3CCCCCCC3)n2c2ccccc12 ZINC000003292985 570852867 /nfs/dbraw/zinc/85/28/67/570852867.db2.gz RHLJAJCNFQKKEF-UHFFFAOYSA-N 0 0 382.533 4.512 50 0 GJAARN O=C(CCSc1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 ZINC000007491930 570853884 /nfs/dbraw/zinc/85/38/84/570853884.db2.gz QMNQRARMTXRLOC-UHFFFAOYSA-N 0 0 397.525 4.544 50 0 GJAARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000102603909 570853927 /nfs/dbraw/zinc/85/39/27/570853927.db2.gz CKIZXYZAHWKWCE-VLIAUNLRSA-N 0 0 376.847 4.997 50 0 GJAARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 ZINC000102663382 570856034 /nfs/dbraw/zinc/85/60/34/570856034.db2.gz LZTXVHVEHHLRKN-AOMKIAJQSA-N 0 0 386.455 4.660 50 0 GJAARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000102709636 570857692 /nfs/dbraw/zinc/85/76/92/570857692.db2.gz JUFNTDMMAPEXIK-ZUOKHONESA-N 0 0 378.382 4.622 50 0 GJAARN CCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102680987 570858190 /nfs/dbraw/zinc/85/81/90/570858190.db2.gz KOIWDMASKCUJEY-KRWDZBQOSA-N 0 0 384.505 4.706 50 0 GJAARN COc1ccc(NC(=O)c2ccc(-c3noc(C4CCCC4)n3)cc2)c(OC)c1 ZINC000033254341 570858757 /nfs/dbraw/zinc/85/87/57/570858757.db2.gz FMFYWIYPUKDRHE-UHFFFAOYSA-N 0 0 393.443 4.664 50 0 GJAARN O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCc2ccccc2C1 ZINC000033252365 570860360 /nfs/dbraw/zinc/86/03/60/570860360.db2.gz CQUGRSKQMRXQDP-UHFFFAOYSA-N 0 0 381.435 4.602 50 0 GJAARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745355 570860936 /nfs/dbraw/zinc/86/09/36/570860936.db2.gz UODLIRVHFIKOSS-KZULUSFZSA-N 0 0 394.456 4.769 50 0 GJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000102745362 570860972 /nfs/dbraw/zinc/86/09/72/570860972.db2.gz UODLIRVHFIKOSS-SGTLLEGYSA-N 0 0 394.456 4.769 50 0 GJAARN Cc1cccc2nc(C3CCN(C(=O)[C@@H]4C[C@H]4c4cccc(F)c4)CC3)oc21 ZINC000170602648 570861383 /nfs/dbraw/zinc/86/13/83/570861383.db2.gz INDROQYSDGIJCZ-RBUKOAKNSA-N 0 0 378.447 4.785 50 0 GJAARN O=C(COc1ccc(Cl)cc1)Oc1ccc2nc(N3CCCC3)sc2c1 ZINC000007512890 570861938 /nfs/dbraw/zinc/86/19/38/570861938.db2.gz JLSOUQSIFQMMPR-UHFFFAOYSA-N 0 0 388.876 4.534 50 0 GJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2cc(Cl)ccc2nc1C ZINC000032865596 570863090 /nfs/dbraw/zinc/86/30/90/570863090.db2.gz CXVGICHDATUXDO-UHFFFAOYSA-N 0 0 396.874 4.630 50 0 GJAARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccccc2C)cc1 ZINC000044086817 570863361 /nfs/dbraw/zinc/86/33/61/570863361.db2.gz DYBCXRVSNRRRBZ-UHFFFAOYSA-N 0 0 379.529 4.773 50 0 GJAARN CCc1nc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)no1 ZINC000033257364 570863844 /nfs/dbraw/zinc/86/38/44/570863844.db2.gz BVVXBAXWFJDNGK-UHFFFAOYSA-N 0 0 387.237 4.706 50 0 GJAARN COc1ccc(C)cc1NC(=O)Nc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000033257317 570863882 /nfs/dbraw/zinc/86/38/82/570863882.db2.gz MTEROGBPVIRZMH-UHFFFAOYSA-N 0 0 378.432 4.965 50 0 GJAARN CN(Cc1cc(Cl)cc2c1OCOC2)[C@@]1(c2ccccc2)CCCCC1=O ZINC000170607267 570864168 /nfs/dbraw/zinc/86/41/68/570864168.db2.gz FHDDTPPVTSUDJU-JOCHJYFZSA-N 0 0 385.891 4.677 50 0 GJAARN O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCCCC[C@@H]1c1ccncc1 ZINC000170607613 570864834 /nfs/dbraw/zinc/86/48/34/570864834.db2.gz CZKMBGIIUMIBMW-OAQYLSRUSA-N 0 0 381.495 4.969 50 0 GJAARN C/C=C\c1ccc(OCCCn2c3ccccc3nc2[C@H](O)CC)c(OC)c1 ZINC000102815697 570865316 /nfs/dbraw/zinc/86/53/16/570865316.db2.gz XCEQAUJTPZUSDZ-BUSNORKWSA-N 0 0 380.488 4.991 50 0 GJAARN Clc1cnc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cn1 ZINC000170610396 570866810 /nfs/dbraw/zinc/86/68/10/570866810.db2.gz DLXCWIZXBQVMJO-UHFFFAOYSA-N 0 0 399.932 4.791 50 0 GJAARN CC(C)CCNC(=O)c1ccc(Nc2cc(-c3cccc(F)c3)ncn2)cc1 ZINC000033261282 570867633 /nfs/dbraw/zinc/86/76/33/570867633.db2.gz BYTKRXQWWSAJNI-UHFFFAOYSA-N 0 0 378.451 4.802 50 0 GJAARN COc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1OC ZINC000012563225 570867841 /nfs/dbraw/zinc/86/78/41/570867841.db2.gz WYRPNVJIXYFYHT-ZDUSSCGKSA-N 0 0 397.500 4.575 50 0 GJAARN COc1cccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc21 ZINC000170612462 570870028 /nfs/dbraw/zinc/87/00/28/570870028.db2.gz QVUGAZCXRZRZFW-LJQANCHMSA-N 0 0 393.874 4.903 50 0 GJAARN O=C(CCSc1ccccc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000044204271 570870658 /nfs/dbraw/zinc/87/06/58/570870658.db2.gz JUETUODLIBHKJR-HNNXBMFYSA-N 0 0 399.541 4.687 50 0 GJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCOc1cccc(C)c1 ZINC000015021330 570872183 /nfs/dbraw/zinc/87/21/83/570872183.db2.gz 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O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1ccccc1Br ZINC000071283253 570886845 /nfs/dbraw/zinc/88/68/45/570886845.db2.gz DSJMYHHCIMAFJF-UHFFFAOYSA-N 0 0 393.244 4.640 50 0 GJAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc3ncccc32)cc1 ZINC000009910436 570887059 /nfs/dbraw/zinc/88/70/59/570887059.db2.gz BAKYKLQLWZZFJF-UHFFFAOYSA-N 0 0 387.439 4.600 50 0 GJAARN COc1ccc2oc(C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)c(C)c2c1 ZINC000012602437 570887351 /nfs/dbraw/zinc/88/73/51/570887351.db2.gz DIRKWMGCLLFNIL-HNNXBMFYSA-N 0 0 389.455 4.646 50 0 GJAARN CC(C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000096820639 570887603 /nfs/dbraw/zinc/88/76/03/570887603.db2.gz CIBSLHBZLZGWII-RCCKNPSSSA-N 0 0 399.454 4.693 50 0 GJAARN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004563873 570890906 /nfs/dbraw/zinc/89/09/06/570890906.db2.gz VNRAWNWHHUQAEQ-BJKOFHAPSA-N 0 0 396.490 4.725 50 0 GJAARN CCc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)c1 ZINC000004563808 570890911 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COc1ccc(C)cc1NC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C ZINC000013331644 570895885 /nfs/dbraw/zinc/89/58/85/570895885.db2.gz PQYXHBOATCILFE-UHFFFAOYSA-N 0 0 378.476 4.818 50 0 GJAARN Cc1nn(C)c2sc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc12 ZINC000012621470 570899487 /nfs/dbraw/zinc/89/94/87/570899487.db2.gz QWTWHOHEKDRDMY-IBGZPJMESA-N 0 0 375.497 4.657 50 0 GJAARN COc1ccc(OC)c(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000097151159 570899699 /nfs/dbraw/zinc/89/96/99/570899699.db2.gz MNKWYFVTIBKVQU-LBPRGKRZSA-N 0 0 382.287 4.773 50 0 GJAARN CC(C)(C)C(=O)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 ZINC000013695271 570900058 /nfs/dbraw/zinc/90/00/58/570900058.db2.gz XEDNQSUXMXRMFW-UHFFFAOYSA-N 0 0 380.532 4.777 50 0 GJAARN O=C(CCCc1ccccc1)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000013716571 570900972 /nfs/dbraw/zinc/90/09/72/570900972.db2.gz CVMVVOJWIBDRJN-UHFFFAOYSA-N 0 0 392.524 4.568 50 0 GJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(C)CC2)cc1 ZINC000023078393 570902100 /nfs/dbraw/zinc/90/21/00/570902100.db2.gz 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570906716 /nfs/dbraw/zinc/90/67/16/570906716.db2.gz LQOYPWFAOUFGRI-UHFFFAOYSA-N 0 0 399.225 4.921 50 0 GJAARN COc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc21 ZINC000023108277 570906902 /nfs/dbraw/zinc/90/69/02/570906902.db2.gz DWAYSPISFGKHEC-ZDUSSCGKSA-N 0 0 394.924 4.661 50 0 GJAARN Cc1nnc(SCc2cc(=O)oc3cc(C)ccc23)n1-c1ccc(C)cc1 ZINC000089643095 570908224 /nfs/dbraw/zinc/90/82/24/570908224.db2.gz BFSZQORTTKYTNI-UHFFFAOYSA-N 0 0 377.469 4.591 50 0 GJAARN CCn1c2ccccc2c2cc(NC(=O)C3CCN(C(=O)C(C)C)CC3)ccc21 ZINC000032909178 570910334 /nfs/dbraw/zinc/91/03/34/570910334.db2.gz DUKVUSBXPHYMPQ-UHFFFAOYSA-N 0 0 391.515 4.648 50 0 GJAARN Fc1cccc(Cl)c1[C@@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1 ZINC000089768031 570912034 /nfs/dbraw/zinc/91/20/34/570912034.db2.gz LKDAOLCBPQYJKM-CYBMUJFWSA-N 0 0 388.796 4.537 50 0 GJAARN COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1 ZINC000032909980 570912547 /nfs/dbraw/zinc/91/25/47/570912547.db2.gz BBHPHDIDHVNEQL-JOCHJYFZSA-N 0 0 389.451 4.849 50 0 GJAARN CSc1ccccc1-c1nnc(NC(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000004585559 570918711 /nfs/dbraw/zinc/91/87/11/570918711.db2.gz CLNYFLHBOWIOJX-UHFFFAOYSA-N 0 0 379.363 4.730 50 0 GJAARN CSc1ccccc1-c1nnc(NC(=O)Cc2cccc3ccccc32)o1 ZINC000004585576 570918800 /nfs/dbraw/zinc/91/88/00/570918800.db2.gz DURQIKNPDIHAHQ-UHFFFAOYSA-N 0 0 375.453 4.793 50 0 GJAARN CSc1ccccc1-c1nnc(NC(=O)c2ccc(Br)s2)o1 ZINC000004585557 570918972 /nfs/dbraw/zinc/91/89/72/570918972.db2.gz KNFDACJKNPTUQT-UHFFFAOYSA-N 0 0 396.291 4.535 50 0 GJAARN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000023157188 570920449 /nfs/dbraw/zinc/92/04/49/570920449.db2.gz SRFDAWJCAMRPEL-DOXZYTNZSA-N 0 0 398.576 4.996 50 0 GJAARN FC(F)=C(F)CCSc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000005749201 570920705 /nfs/dbraw/zinc/92/07/05/570920705.db2.gz AFFJSYPFSHOUND-UHFFFAOYSA-N 0 0 388.724 4.894 50 0 GJAARN CCCCCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(C)C ZINC000004586599 570920729 /nfs/dbraw/zinc/92/07/29/570920729.db2.gz 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570923224 /nfs/dbraw/zinc/92/32/24/570923224.db2.gz OLAXTDPFLLUUKU-QGZVFWFLSA-N 0 0 399.313 4.785 50 0 GJAARN Cc1ccc(Cn2cc(SCC(=O)NCc3ccco3)c3ccccc32)cc1 ZINC000004059724 570926666 /nfs/dbraw/zinc/92/66/66/570926666.db2.gz GZYYXKSLQDLEEI-UHFFFAOYSA-N 0 0 390.508 5.000 50 0 GJAARN Cc1ccc(-n2nnnc2SCc2csc(Nc3ccccc3)n2)c(C)c1 ZINC000006509557 570930624 /nfs/dbraw/zinc/93/06/24/570930624.db2.gz KIOBBAZGDLLDAC-UHFFFAOYSA-N 0 0 394.529 4.772 50 0 GJAARN O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2C12OCCCCO2 ZINC000001060398 570930927 /nfs/dbraw/zinc/93/09/27/570930927.db2.gz NVCWEIYMYWQUDD-UHFFFAOYSA-N 0 0 378.255 4.520 50 0 GJAARN Cc1cccc(NC(=O)NCCn2c3ncccc3nc2-c2ccccc2)c1C ZINC000046913579 570936013 /nfs/dbraw/zinc/93/60/13/570936013.db2.gz UBJHBKHXVNAZLH-UHFFFAOYSA-N 0 0 385.471 4.537 50 0 GJAARN Cc1nc2nc(-c3ccco3)nn2c(Nc2ccc(Br)cc2)c1C ZINC000046914075 570936505 /nfs/dbraw/zinc/93/65/05/570936505.db2.gz KMHQTIRNPFYMBB-UHFFFAOYSA-N 0 0 384.237 4.507 50 0 GJAARN O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000002083951 570936772 /nfs/dbraw/zinc/93/67/72/570936772.db2.gz SGAJXWWZPMYWML-FYJGNVAPSA-N 0 0 391.373 4.888 50 0 GJAARN COc1ccccc1[C@@H](NC(=O)c1noc2c1CCCC2)c1ccccc1Cl ZINC000170638659 570939535 /nfs/dbraw/zinc/93/95/35/570939535.db2.gz AGZQPHKEFMKOBJ-FQEVSTJZSA-N 0 0 396.874 4.735 50 0 GJAARN CSc1ccc(Cl)c(C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000032930222 570942330 /nfs/dbraw/zinc/94/23/30/570942330.db2.gz TYJQHDCISHRZBO-MRXNPFEDSA-N 0 0 391.920 4.550 50 0 GJAARN Fc1cccc(-c2nnc(CSc3nc(C4CC4)n(-c4ccccc4)n3)o2)c1 ZINC000170640000 570943259 /nfs/dbraw/zinc/94/32/59/570943259.db2.gz UQBQZWNGNSWTFL-UHFFFAOYSA-N 0 0 393.447 4.626 50 0 GJAARN C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000007582556 570946364 /nfs/dbraw/zinc/94/63/64/570946364.db2.gz PATFLAHMOJVBAF-YJBOKZPZSA-N 0 0 383.565 4.537 50 0 GJAARN Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CC3)c3ncnn32)cc1 ZINC000004732716 570947176 /nfs/dbraw/zinc/94/71/76/570947176.db2.gz AHHJBNSSTGPYAZ-UXHICEINSA-N 0 0 392.890 4.717 50 0 GJAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1SCC(F)(F)F ZINC000032936709 570948319 /nfs/dbraw/zinc/94/83/19/570948319.db2.gz WLOZCSKULRELPI-UHFFFAOYSA-N 0 0 394.418 4.720 50 0 GJAARN CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccccc2F)CCCCCC1 ZINC000032935995 570948386 /nfs/dbraw/zinc/94/83/86/570948386.db2.gz VFEDTOZDBZYEEO-UHFFFAOYSA-N 0 0 379.476 4.565 50 0 GJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017986722 570949646 /nfs/dbraw/zinc/94/96/46/570949646.db2.gz SDCWCBCCXXJTKX-ZNZDAUKMSA-N 0 0 396.874 4.518 50 0 GJAARN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)CCC3 ZINC000004735770 570950229 /nfs/dbraw/zinc/95/02/29/570950229.db2.gz HAIWQGMVJCYLIA-UHFFFAOYSA-N 0 0 389.860 4.714 50 0 GJAARN CCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C ZINC000002110745 570950325 /nfs/dbraw/zinc/95/03/25/570950325.db2.gz YRTBHNTXONKCLH-YVIRBKRRSA-N 0 0 390.527 4.893 50 0 biogenic GJAARN Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)CC(C)C)c12 ZINC000045501878 570951844 /nfs/dbraw/zinc/95/18/44/570951844.db2.gz UVZLHQTXNOXMTP-UHFFFAOYSA-N 0 0 391.393 4.945 50 0 GJAARN O=Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000004739239 570953371 /nfs/dbraw/zinc/95/33/71/570953371.db2.gz AFKXPKANNXAUJM-UHFFFAOYSA-N 0 0 388.030 4.742 50 0 GJAARN CC(C)(C)c1ccc(OC(=O)[C@@]2(C)CC2(Br)Br)cc1 ZINC000004740704 570955049 /nfs/dbraw/zinc/95/50/49/570955049.db2.gz HSQRKRYIGUCSBO-CQSZACIVSA-N 0 0 390.115 4.786 50 0 GJAARN CCc1nc2ccccc2c(OCC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000033287305 570955212 /nfs/dbraw/zinc/95/52/12/570955212.db2.gz SVIHNZBARNCSSV-UHFFFAOYSA-N 0 0 376.243 4.517 50 0 GJAARN COc1ccc(/C=C/C(=O)OCc2cc(Cl)ccc2OC(F)F)cc1OC ZINC000003235964 570955882 /nfs/dbraw/zinc/95/58/82/570955882.db2.gz WSKULTXMXMEKSQ-XBXARRHUSA-N 0 0 398.789 4.715 50 0 GJAARN Cc1ccc(NC(=O)CSc2nccnc2Sc2ccccc2)c(F)c1 ZINC000033288888 570956017 /nfs/dbraw/zinc/95/60/17/570956017.db2.gz OVEYUPGHFDWBBW-UHFFFAOYSA-N 0 0 385.489 4.806 50 0 GJAARN CCc1cccc(NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033288871 570956121 /nfs/dbraw/zinc/95/61/21/570956121.db2.gz ICDYGELEQZADPX-UHFFFAOYSA-N 0 0 381.526 4.921 50 0 GJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000012062732 570957597 /nfs/dbraw/zinc/95/75/97/570957597.db2.gz IHBDPOPPQJTNHH-MRXNPFEDSA-N 0 0 395.459 4.548 50 0 GJAARN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000252458397 570959842 /nfs/dbraw/zinc/95/98/42/570959842.db2.gz FJRXLIOAIYSABX-GUYCJALGSA-N 0 0 382.485 4.861 50 0 GJAARN CSc1ccc(CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cc1 ZINC000004307091 570961356 /nfs/dbraw/zinc/96/13/56/570961356.db2.gz GJSFHASUYFLAED-JOCHJYFZSA-N 0 0 376.481 4.529 50 0 GJAARN CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)C(F)F ZINC000025184234 570962038 /nfs/dbraw/zinc/96/20/38/570962038.db2.gz WKYQIYPBNALQBJ-UHFFFAOYSA-N 0 0 399.369 4.529 50 0 GJAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1 ZINC000033298149 570962048 /nfs/dbraw/zinc/96/20/48/570962048.db2.gz DAZLXAFMRXQRFJ-UHFFFAOYSA-N 0 0 381.432 4.989 50 0 GJAARN Clc1cccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)c1 ZINC000033298184 570962217 /nfs/dbraw/zinc/96/22/17/570962217.db2.gz PXCQISPBCSTIQS-UHFFFAOYSA-N 0 0 397.843 4.833 50 0 GJAARN CSc1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2s1 ZINC000033298815 570962462 /nfs/dbraw/zinc/96/24/62/570962462.db2.gz UNPQGXJPFWFVLG-UHFFFAOYSA-N 0 0 378.544 4.744 50 0 GJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 ZINC000033298838 570962975 /nfs/dbraw/zinc/96/29/75/570962975.db2.gz FMCIAIZKZVJNNJ-UHFFFAOYSA-N 0 0 384.935 4.863 50 0 GJAARN COC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)oc1CNCc1ccccc1 ZINC000004751666 570963779 /nfs/dbraw/zinc/96/37/79/570963779.db2.gz UAUVYFUXSDLRQP-UHFFFAOYSA-N 0 0 379.500 4.824 50 0 GJAARN CCN(CC)C(=O)c1ccc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2)s1 ZINC000019228430 570964308 /nfs/dbraw/zinc/96/43/08/570964308.db2.gz WWKIAZNUHAAVRD-INIZCTEOSA-N 0 0 390.936 4.861 50 0 GJAARN CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)cc1 ZINC000252479877 570967094 /nfs/dbraw/zinc/96/70/94/570967094.db2.gz BOISTFDZAFXPRS-UHFFFAOYSA-N 0 0 383.467 4.507 50 0 GJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)sc2C)cc1 ZINC000033308396 570968140 /nfs/dbraw/zinc/96/81/40/570968140.db2.gz YXTODXLBIORXCH-UHFFFAOYSA-N 0 0 394.543 4.688 50 0 GJAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)NCc1ccc(Cl)cc1 ZINC000211085491 570969429 /nfs/dbraw/zinc/96/94/29/570969429.db2.gz XCABVNUSSIVKRR-UHFFFAOYSA-N 0 0 390.917 4.693 50 0 GJAARN O=S(=O)(NCc1csc(-c2ccccc2)n1)c1cc(Cl)ccc1Cl ZINC000004166824 570970176 /nfs/dbraw/zinc/97/01/76/570970176.db2.gz ZPUVWAGDXQQUGX-UHFFFAOYSA-N 0 0 399.324 4.595 50 0 GJAARN Cc1ccc2nc(NC[C@@H]3CCCO3)c(-c3noc(-c4ccccc4)n3)cc2c1 ZINC000033318172 570973707 /nfs/dbraw/zinc/97/37/07/570973707.db2.gz LYDHYBRKIFJDIX-SFHVURJKSA-N 0 0 386.455 4.851 50 0 GJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccc(CC)cc1 ZINC000033317660 570973829 /nfs/dbraw/zinc/97/38/29/570973829.db2.gz JDXCZRGMVFFFJR-JOCHJYFZSA-N 0 0 391.515 4.751 50 0 GJAARN CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(SC)cc3)NC(=O)CN21 ZINC000002159995 570974868 /nfs/dbraw/zinc/97/48/68/570974868.db2.gz LZNUWSICCOASJN-OTOIZHKDSA-N 0 0 378.541 4.608 50 0 biogenic GJAARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000012736705 570979619 /nfs/dbraw/zinc/97/96/19/570979619.db2.gz AVLBFNVMRXMMPB-NRFANRHFSA-N 0 0 382.504 4.568 50 0 GJAARN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1Cl ZINC000252512549 570982241 /nfs/dbraw/zinc/98/22/41/570982241.db2.gz SBHSZCFQSJWHBB-KBRIMQKVSA-N 0 0 386.879 4.690 50 0 GJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(c4ccc(F)cc4)CC3)ncn2)c1 ZINC000037379108 570982375 /nfs/dbraw/zinc/98/23/75/570982375.db2.gz BBVMDCFCVUNDIT-UHFFFAOYSA-N 0 0 398.869 4.696 50 0 GJAARN CCc1nc2ccc(C(=O)N[C@H](c3cccs3)C3CCOCC3)cc2s1 ZINC000585149360 570983049 /nfs/dbraw/zinc/98/30/49/570983049.db2.gz LBTRSYSKCYSKRG-IBGZPJMESA-N 0 0 386.542 4.818 50 0 GJAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([S@@](C)=O)c(F)c2)o1 ZINC000170650610 570985279 /nfs/dbraw/zinc/98/52/79/570985279.db2.gz KJLGXRCRAVAVHR-YHAMSUFESA-N 0 0 378.469 4.614 50 0 GJAARN COc1ccc(OC)c(CNc2nc3c(C)cccc3cc2-c2noc(C)n2)c1 ZINC000033331514 570987655 /nfs/dbraw/zinc/98/76/55/570987655.db2.gz OIYXFJMPXHNZCT-UHFFFAOYSA-N 0 0 390.443 4.531 50 0 GJAARN Cc1ccc(N(C(=O)NCCc2ccccc2)C2=NCC(C)(C)S2)cc1C ZINC000004785594 570989416 /nfs/dbraw/zinc/98/94/16/570989416.db2.gz VQYYOWCJMXJDHW-UHFFFAOYSA-N 0 0 381.545 4.944 50 0 GJAARN S=c1[nH]c(-c2cccs2)nn1CN1CCC(c2nc3ccccc3o2)CC1 ZINC000045295668 570989787 /nfs/dbraw/zinc/98/97/87/570989787.db2.gz MWPFFWXRBZQRMP-UHFFFAOYSA-N 0 0 397.529 4.647 50 0 GJAARN CCOc1ccc2ccccc2c1C(=O)NCC1(c2cccs2)CCOCC1 ZINC000023238165 570990946 /nfs/dbraw/zinc/99/09/46/570990946.db2.gz RVHADCMSOJQCIA-UHFFFAOYSA-N 0 0 395.524 4.778 50 0 GJAARN Cc1nc2ccc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)cc2nc1C ZINC000084057333 570991748 /nfs/dbraw/zinc/99/17/48/570991748.db2.gz VALCBRKQXRLZPH-UHFFFAOYSA-N 0 0 385.389 4.858 50 0 GJAARN Cc1oc(-c2cccs2)nc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000084052943 570992076 /nfs/dbraw/zinc/99/20/76/570992076.db2.gz JEDDPSUJSSURTG-MAUKXSAKSA-N 0 0 386.448 4.501 50 0 GJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C ZINC000004790893 570992652 /nfs/dbraw/zinc/99/26/52/570992652.db2.gz UNDPAOWBFRAMGA-CYBMUJFWSA-N 0 0 396.541 4.621 50 0 GJAARN C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cn1 ZINC000045668836 570994670 /nfs/dbraw/zinc/99/46/70/570994670.db2.gz AXYVAFGPMOZODO-JTQLQIEISA-N 0 0 377.828 4.648 50 0 GJAARN Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(F)cc3C)nc12 ZINC000011374111 570994709 /nfs/dbraw/zinc/99/47/09/570994709.db2.gz LUUBLZGJHSJQFN-UHFFFAOYSA-N 0 0 389.430 4.922 50 0 GJAARN C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cn1 ZINC000045668838 570994777 /nfs/dbraw/zinc/99/47/77/570994777.db2.gz AXYVAFGPMOZODO-SNVBAGLBSA-N 0 0 377.828 4.648 50 0 GJAARN Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1C[C@H]1CCCO1 ZINC000004808890 570997386 /nfs/dbraw/zinc/99/73/86/570997386.db2.gz RAKMUQMPQJZMHI-CQSZACIVSA-N 0 0 382.287 4.852 50 0 GJAARN CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(NC(C)=O)c1 ZINC000007605126 570998038 /nfs/dbraw/zinc/99/80/38/570998038.db2.gz BIIKFWJKOUAFOZ-UHFFFAOYSA-N 0 0 386.908 4.869 50 0 GJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccccc1OCC ZINC000045896297 570998589 /nfs/dbraw/zinc/99/85/89/570998589.db2.gz PYNVYGQGBZUFLQ-UHFFFAOYSA-N 0 0 381.432 4.658 50 0 GJAARN CC(C)NC(=O)CCn1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037396918 571003362 /nfs/dbraw/zinc/00/33/62/571003362.db2.gz FREKUXTUHGKDPO-UHFFFAOYSA-N 0 0 390.314 4.849 50 0 GJAARN CN(Cc1nc2ccccc2[nH]1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000012751792 571004227 /nfs/dbraw/zinc/00/42/27/571004227.db2.gz MOFBONAFNAEQIO-UHFFFAOYSA-N 0 0 379.504 4.678 50 0 GJAARN NC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1Cl ZINC000046645406 571005196 /nfs/dbraw/zinc/00/51/96/571005196.db2.gz WOXRIQDBIANHKQ-UHFFFAOYSA-N 0 0 375.211 4.605 50 0 GJAARN CC(C)c1nc2ccc(NC(=O)NC3CCN(c4ccccn4)CC3)cc2s1 ZINC000066980089 571005269 /nfs/dbraw/zinc/00/52/69/571005269.db2.gz BWBFMYVWPQHIGB-UHFFFAOYSA-N 0 0 395.532 4.605 50 0 GJAARN O=C(Nc1ccc(F)cc1F)c1cc(Br)c(Br)s1 ZINC000012754888 571006394 /nfs/dbraw/zinc/00/63/94/571006394.db2.gz ZNSFERUEOTWBRL-UHFFFAOYSA-N 0 0 397.038 4.804 50 0 GJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000045967372 571008164 /nfs/dbraw/zinc/00/81/64/571008164.db2.gz VTNFWBHGYOGJBS-UHFFFAOYSA-N 0 0 389.377 4.916 50 0 GJAARN Cc1ccc2cc(C(=O)Nc3ccc(C)cc3OC[C@@H]3CCCO3)c(C)nc2c1 ZINC000084210015 571009583 /nfs/dbraw/zinc/00/95/83/571009583.db2.gz PEARKMXVFDPERB-IBGZPJMESA-N 0 0 390.483 4.970 50 0 GJAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 ZINC000007653164 571011423 /nfs/dbraw/zinc/01/14/23/571011423.db2.gz BRJAGZRJXGGPQZ-UHFFFAOYSA-N 0 0 393.464 4.981 50 0 GJAARN Cc1nc2c(cnn2C(C)(C)C)c(N2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000084287002 571012083 /nfs/dbraw/zinc/01/20/83/571012083.db2.gz AGRYOJNILDIWAD-INIZCTEOSA-N 0 0 392.532 4.841 50 0 GJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000046018000 571012056 /nfs/dbraw/zinc/01/20/56/571012056.db2.gz HPAKJGKBZAJUIF-IBGZPJMESA-N 0 0 382.847 4.981 50 0 GJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000012762663 571012896 /nfs/dbraw/zinc/01/28/96/571012896.db2.gz HBVFAANJVYVFCV-UHFFFAOYSA-N 0 0 391.368 4.577 50 0 GJAARN COc1ccc(-c2nc(NC(=O)c3ccc4ncsc4c3)sc2C)cc1 ZINC000007670650 571014128 /nfs/dbraw/zinc/01/41/28/571014128.db2.gz GOEWRXKRCMFEBX-UHFFFAOYSA-N 0 0 381.482 4.989 50 0 GJAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@H](C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046056769 571016592 /nfs/dbraw/zinc/01/65/92/571016592.db2.gz FCYOGFJCOJASEZ-GOSISDBHSA-N 0 0 393.874 4.760 50 0 GJAARN CCc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000046056436 571016763 /nfs/dbraw/zinc/01/67/63/571016763.db2.gz MQUCNBHKFJSIRK-SFHVURJKSA-N 0 0 393.874 4.705 50 0 GJAARN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](C(=O)c1ccc(C)cc1C)CC(=O)N2 ZINC000046056480 571016809 /nfs/dbraw/zinc/01/68/09/571016809.db2.gz QGLGNGSAZTVKGW-SFHVURJKSA-N 0 0 393.874 4.760 50 0 GJAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@H](C(=O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000046056744 571016814 /nfs/dbraw/zinc/01/68/14/571016814.db2.gz QFBQLYDYOWAPIX-GOSISDBHSA-N 0 0 393.874 4.760 50 0 GJAARN Cc1nn(-c2cccc(C)c2C)c2c1C(=C(O)c1cc(C)ccc1C)CC(=O)N2 ZINC000046057284 571017284 /nfs/dbraw/zinc/01/72/84/571017284.db2.gz BMAUJQVHGMXGQK-IBGZPJMESA-N 0 0 387.483 4.723 50 0 GJAARN Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C(O)c1ccc(C)c(C)c1)CC(=O)N2 ZINC000046057781 571017665 /nfs/dbraw/zinc/01/76/65/571017665.db2.gz WSHCJFUROCWXFT-FQEVSTJZSA-N 0 0 387.483 4.723 50 0 GJAARN COc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1C ZINC000012767175 571017915 /nfs/dbraw/zinc/01/79/15/571017915.db2.gz BZLVRNJADKDQLY-UHFFFAOYSA-N 0 0 390.487 4.631 50 0 GJAARN O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000084445829 571018457 /nfs/dbraw/zinc/01/84/57/571018457.db2.gz NZXBPAXCYHTEJH-NVXWUHKLSA-N 0 0 379.426 4.638 50 0 GJAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2F)o1 ZINC000007718776 571019537 /nfs/dbraw/zinc/01/95/37/571019537.db2.gz BJSZYLSKADNULZ-UHFFFAOYSA-N 0 0 392.430 4.964 50 0 GJAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccccc4F)csc32)cc(OC)c1O ZINC000046076643 571020313 /nfs/dbraw/zinc/02/03/13/571020313.db2.gz KCALJSHNTOBDGF-CYBMUJFWSA-N 0 0 399.443 4.751 50 0 GJAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc(C(F)(F)F)c1 ZINC000012768635 571020633 /nfs/dbraw/zinc/02/06/33/571020633.db2.gz AXWMPKKRXWBCJM-UHFFFAOYSA-N 0 0 378.350 4.532 50 0 GJAARN O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ncoc1[C@@H]1CCCO1 ZINC000084525566 571021310 /nfs/dbraw/zinc/02/13/10/571021310.db2.gz AVAYDMWVNSRTKL-ZBFHGGJFSA-N 0 0 395.484 4.507 50 0 GJAARN Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCc4ccccc4)ccc32)cc1 ZINC000046078512 571021293 /nfs/dbraw/zinc/02/12/93/571021293.db2.gz JYXNNLNZSJKLML-UHFFFAOYSA-N 0 0 384.479 4.518 50 0 GJAARN CCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078828 571021618 /nfs/dbraw/zinc/02/16/18/571021618.db2.gz LUTPMLXWGVBNEU-HNNXBMFYSA-N 0 0 384.907 4.851 50 0 GJAARN Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4F)ccc32)c1 ZINC000046078683 571021758 /nfs/dbraw/zinc/02/17/58/571021758.db2.gz ZLVOOBUQSKGOKJ-UHFFFAOYSA-N 0 0 388.442 4.979 50 0 GJAARN O=C(c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1)N1CCCCCC1 ZINC000046080046 571021908 /nfs/dbraw/zinc/02/19/08/571021908.db2.gz IPNOGIOOHKRMHZ-UHFFFAOYSA-N 0 0 391.515 4.535 50 0 GJAARN COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2ccccc2Cl)cc1 ZINC000015567738 571022232 /nfs/dbraw/zinc/02/22/32/571022232.db2.gz LECBIEMAUPTZLV-UHFFFAOYSA-N 0 0 395.842 4.749 50 0 GJAARN C[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)CCN1Cc1ccc(F)cc1F ZINC000037519900 571022751 /nfs/dbraw/zinc/02/27/51/571022751.db2.gz LJHLGEYHQYABQL-NSHDSACASA-N 0 0 385.241 4.509 50 0 GJAARN COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)no2)cc1OC ZINC000046086950 571022952 /nfs/dbraw/zinc/02/29/52/571022952.db2.gz CVKYYOANNQIPRR-UHFFFAOYSA-N 0 0 393.226 4.918 50 0 GJAARN COc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(F)c2F)c(OC)c1 ZINC000037523171 571024519 /nfs/dbraw/zinc/02/45/19/571024519.db2.gz HBXCKDYONMOSIP-QHCPKHFHSA-N 0 0 398.453 4.779 50 0 GJAARN CN(CC(=O)Nc1ccccc1Cl)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000007727868 571024981 /nfs/dbraw/zinc/02/49/81/571024981.db2.gz KMFJMFPOZISRHV-UHFFFAOYSA-N 0 0 390.270 4.719 50 0 GJAARN COc1ccccc1Cn1c(C(=O)NCc2ccccc2F)cc2sccc21 ZINC000037526202 571026365 /nfs/dbraw/zinc/02/63/65/571026365.db2.gz ZCVGTCUUDRVDJU-UHFFFAOYSA-N 0 0 394.471 4.829 50 0 GJAARN O=C(NCc1cccnc1)c1cc2sccc2n1Cc1cccc(Cl)c1 ZINC000037526547 571026392 /nfs/dbraw/zinc/02/63/92/571026392.db2.gz FNFWBNPBXNTVKS-UHFFFAOYSA-N 0 0 381.888 4.730 50 0 GJAARN CC[C@H](C)c1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 ZINC000007735499 571027199 /nfs/dbraw/zinc/02/71/99/571027199.db2.gz WRWVDABRHJRVOQ-GJZGRUSLSA-N 0 0 396.512 4.553 50 0 GJAARN CN(Cc1ccccc1)C(=O)Cc1ccc(NCc2c(F)cccc2F)cc1 ZINC000037554703 571030821 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C[C@H]1c2[nH]c3ccccc3c2CCN1C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000084718151 571033011 /nfs/dbraw/zinc/03/30/11/571033011.db2.gz MTLCJTGEUVTNQR-DJJJIMSYSA-N 0 0 390.405 4.719 50 0 GJAARN C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)N(C)Cc1cccc(F)c1 ZINC000012782702 571035854 /nfs/dbraw/zinc/03/58/54/571035854.db2.gz MUKUOHUQMGVOSR-LBPRGKRZSA-N 0 0 383.448 4.577 50 0 GJAARN Cn1c2c(s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1)CCc1ccccc1-2 ZINC000004815273 571048381 /nfs/dbraw/zinc/04/83/81/571048381.db2.gz ZTJQFUDUQOFVDU-GYHWCHFESA-N 0 0 376.525 4.891 50 0 GJAARN O=C([O-])c1cccc([C@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)c1 ZINC000095373918 571062870 /nfs/dbraw/zinc/06/28/70/571062870.db2.gz HQROMSTZQKEJAU-NRFANRHFSA-N 0 0 379.504 4.602 50 0 GJAARN Cc1cc(C)c2c(n1)sc(C(=O)NCc1ccccc1F)c2-n1cccc1 ZINC000006780553 230851634 /nfs/dbraw/zinc/85/16/34/230851634.db2.gz XGQRWCAIYGFNIR-UHFFFAOYSA-N 0 0 379.460 4.773 50 0 GJAARN O=C(Nc1nnc(-c2ccco2)s1)C1c2ccccc2Oc2ccccc21 ZINC000008724449 230867573 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