smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)ncn1 ZINC000000755301 210267532 /nfs/dbraw/zinc/26/75/32/210267532.db2.gz SIRIFKZXBRFGPR-UHFFFAOYSA-N 0 0 356.429 4.784 50 0 FJAARN CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4sccn43)cs2)cc1 ZINC000000753722 210266849 /nfs/dbraw/zinc/26/68/49/210266849.db2.gz KIPHHSGBZBKVQP-UHFFFAOYSA-N 0 0 369.475 4.530 50 0 FJAARN COc1cc(C(=O)Nc2ccccc2F)ccc1OCc1cccc(F)c1 ZINC000000719139 210265875 /nfs/dbraw/zinc/26/58/75/210265875.db2.gz FANTWAFHXQDUGN-UHFFFAOYSA-N 0 0 369.367 4.805 50 0 FJAARN O=C(NCc1ccccc1)c1c(Cl)nc(Cl)c(Cl)c1Cl ZINC000000718836 210266017 /nfs/dbraw/zinc/26/60/17/210266017.db2.gz MAKAUYWKQYUZPW-UHFFFAOYSA-N 0 0 350.032 4.625 50 0 FJAARN Cc1ccc2c(c1)ncc(-c1nnnn1-c1ccccc1)c2-c1ccccc1 ZINC000000721390 210265477 /nfs/dbraw/zinc/26/54/77/210265477.db2.gz RVAHEKVRBVZHJG-UHFFFAOYSA-N 0 0 363.424 4.853 50 0 FJAARN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000000724607 210265171 /nfs/dbraw/zinc/26/51/71/210265171.db2.gz WOFQINDLSKGJSB-UHFFFAOYSA-N 0 0 365.694 4.835 50 0 FJAARN Cc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)cc1Cl ZINC000000707582 210264658 /nfs/dbraw/zinc/26/46/58/210264658.db2.gz QUQRJNJZSSYBIW-UHFFFAOYSA-N 0 0 363.895 4.571 50 0 FJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000000712208 210264371 /nfs/dbraw/zinc/26/43/71/210264371.db2.gz HKQKDMBOGKNTGK-CQSZACIVSA-N 0 0 366.364 4.797 50 0 FJAARN COC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)CCCC2 ZINC000000715250 210263611 /nfs/dbraw/zinc/26/36/11/210263611.db2.gz KLJWXRGEKGHRFC-UHFFFAOYSA-N 0 0 365.454 4.819 50 0 FJAARN CCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 ZINC000000691554 210263150 /nfs/dbraw/zinc/26/31/50/210263150.db2.gz HKSXSAKTCOPOMS-UHFFFAOYSA-N 0 0 365.502 4.962 50 0 FJAARN CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(C)cc1C ZINC000000702213 210262530 /nfs/dbraw/zinc/26/25/30/210262530.db2.gz WXWTYQYAVQYZIE-UHFFFAOYSA-N 0 0 350.418 4.781 50 0 FJAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 ZINC000000689565 210262539 /nfs/dbraw/zinc/26/25/39/210262539.db2.gz DTGKEIXVLIUTNO-UHFFFAOYSA-N 0 0 351.475 4.708 50 0 FJAARN Cc1ccc(OCC(=O)Oc2ccc(Br)c3ccccc23)cc1 ZINC000000673885 210261343 /nfs/dbraw/zinc/26/13/43/210261343.db2.gz LORVSPYOIATIBW-UHFFFAOYSA-N 0 0 371.230 4.895 50 0 FJAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1C ZINC000000673468 210261284 /nfs/dbraw/zinc/26/12/84/210261284.db2.gz AWPSKVBVYSBDFX-UHFFFAOYSA-N 0 0 369.417 4.902 50 0 FJAARN COC(=O)c1c(NC(=O)C2CCC2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000000673176 210261311 /nfs/dbraw/zinc/26/13/11/210261311.db2.gz SHUDDPOIQCISLK-OAHLLOKOSA-N 0 0 369.486 4.546 50 0 FJAARN CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)CC)C2 ZINC000000671047 210260983 /nfs/dbraw/zinc/26/09/83/210260983.db2.gz IQFDXGAFSHQPFF-CYBMUJFWSA-N 0 0 364.555 4.763 50 0 FJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C)cc1Br ZINC000000669665 210259704 /nfs/dbraw/zinc/25/97/04/210259704.db2.gz AJDHLBPZEOFHLD-UHFFFAOYSA-N 0 0 371.234 4.973 50 0 FJAARN Cc1ccccc1-n1nnnc1SCc1ccc(Cl)c(Cl)c1 ZINC000009257933 210259809 /nfs/dbraw/zinc/25/98/09/210259809.db2.gz NKHRZSJODNOEDL-UHFFFAOYSA-N 0 0 351.262 4.570 50 0 FJAARN CCn1cc(Cl)c(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1 ZINC000000653751 210258428 /nfs/dbraw/zinc/25/84/28/210258428.db2.gz HXAHKYQUDIHABE-UHFFFAOYSA-N 0 0 360.870 4.549 50 0 FJAARN CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1 ZINC000000642576 210256656 /nfs/dbraw/zinc/25/66/56/210256656.db2.gz PQKBPHSEKWERTG-NSHDSACASA-N 0 0 361.781 4.604 50 0 investigational FJAARN O=C(CCSc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl ZINC000000645141 210256592 /nfs/dbraw/zinc/25/65/92/210256592.db2.gz IMZUGBWNJDTTKJ-UHFFFAOYSA-N 0 0 359.838 4.511 50 0 FJAARN COc1cc(NC(=O)c2ccccc2-c2ccccc2)cc(OC)c1OC ZINC000000645851 210255841 /nfs/dbraw/zinc/25/58/41/210255841.db2.gz MYBCPBGUYUSMTL-UHFFFAOYSA-N 0 0 363.413 4.632 50 0 FJAARN CCN(CC)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000000636834 210255242 /nfs/dbraw/zinc/25/52/42/210255242.db2.gz JCEGMKCMMJFKGB-UHFFFAOYSA-N 0 0 360.885 4.821 50 0 FJAARN Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2cc(C)ccc2O)cc1 ZINC000000636523 210255388 /nfs/dbraw/zinc/25/53/88/210255388.db2.gz WYHSUVLZDYDTEB-NRFANRHFSA-N 0 0 357.409 4.593 50 0 FJAARN Cc1cc(O[C@H](C)C(=O)c2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000000639050 210255145 /nfs/dbraw/zinc/25/51/45/210255145.db2.gz HUJUJXWEWDBMDN-OAHLLOKOSA-N 0 0 362.425 4.630 50 0 FJAARN CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000000640311 210254566 /nfs/dbraw/zinc/25/45/66/210254566.db2.gz QTJKADZPYFJSEQ-NRFANRHFSA-N 0 0 360.457 4.623 50 0 in-vitro FJAARN Cn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1Cl ZINC000000630610 210253845 /nfs/dbraw/zinc/25/38/45/210253845.db2.gz HFPLHRFPPQYKSQ-UHFFFAOYSA-N 0 0 351.258 4.533 50 0 FJAARN O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cccc(Cl)c1 ZINC000000629333 210253438 /nfs/dbraw/zinc/25/34/38/210253438.db2.gz NWPFTICNYGHGGD-UHFFFAOYSA-N 0 0 353.834 4.969 50 0 FJAARN Cc1ccc(C)n1-n1c(C)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000000628487 210253565 /nfs/dbraw/zinc/25/35/65/210253565.db2.gz LWLHLXBBMNZGSC-UHFFFAOYSA-N 0 0 369.877 4.817 50 0 FJAARN CC(C)COC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000000629884 210253270 /nfs/dbraw/zinc/25/32/70/210253270.db2.gz NXXHDFCPFSVFMG-UHFFFAOYSA-N 0 0 369.461 4.640 50 0 FJAARN Cc1ccccc1Cc1nn2c(nnc2-c2ccc(C(F)(F)F)cc2)s1 ZINC000000632744 210253276 /nfs/dbraw/zinc/25/32/76/210253276.db2.gz FUSZWKCKEMSTGT-UHFFFAOYSA-N 0 0 374.391 4.771 50 0 FJAARN Cc1c2ccc(O[C@H]3CCCCC3=O)cc2oc(=O)c1Cc1ccccc1 ZINC000000622146 210252384 /nfs/dbraw/zinc/25/23/84/210252384.db2.gz IWJNBOGBMZCUQQ-NRFANRHFSA-N 0 0 362.425 4.583 50 0 FJAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000000622477 210252427 /nfs/dbraw/zinc/25/24/27/210252427.db2.gz DUPIQORRSLJOEJ-GFCCVEGCSA-N 0 0 370.518 4.522 50 0 FJAARN Cc1cc2sc(NC(=O)c3ccc(Br)o3)nc2cc1Cl ZINC000000623538 210252077 /nfs/dbraw/zinc/25/20/77/210252077.db2.gz BJLZAKRWTYVRKW-UHFFFAOYSA-N 0 0 371.643 4.866 50 0 FJAARN Cc1ccn2cc(-c3ccc(NC(=O)CCc4ccsc4)cc3)nc2c1 ZINC000009219904 210250403 /nfs/dbraw/zinc/25/04/03/210250403.db2.gz OJECOERSIZJYOW-UHFFFAOYSA-N 0 0 361.470 4.943 50 0 FJAARN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)c(Br)c1 ZINC000170691549 222613401 /nfs/dbraw/zinc/61/34/01/222613401.db2.gz SWJKSTISEUTNPP-UHFFFAOYSA-N 0 0 374.263 4.528 50 0 FJAARN CCCCN1c2ccc(NC(=O)c3c(C)cc(C)cc3C)cc2CCC1=O ZINC000009137257 210249136 /nfs/dbraw/zinc/24/91/36/210249136.db2.gz ARBSLVQCGZRUMH-UHFFFAOYSA-N 0 0 364.489 4.943 50 0 FJAARN COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc2c(c1)OCO2 ZINC000104716415 210243650 /nfs/dbraw/zinc/24/36/50/210243650.db2.gz QPYTWSCBTFMMPM-PTNGSMBKSA-N 0 0 373.408 4.627 50 0 FJAARN O=C(/C=C\c1c(F)cccc1F)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000096401638 210239675 /nfs/dbraw/zinc/23/96/75/210239675.db2.gz WLFSVAZPJYBEIK-FPLPWBNLSA-N 0 0 373.790 4.515 50 0 FJAARN O=C(/C=C\c1cc(Cl)cc(Cl)c1)Nc1ccccc1Cn1cccn1 ZINC000096291441 210239535 /nfs/dbraw/zinc/23/95/35/210239535.db2.gz NENTZDUDJZDKJR-SREVYHEPSA-N 0 0 372.255 4.890 50 0 FJAARN Cc1ccc(/C=C\C(=O)OCc2nc(-c3cccs3)no2)cc1Cl ZINC000096297683 210238900 /nfs/dbraw/zinc/23/89/00/210238900.db2.gz JJITXXBPOQFWMZ-SREVYHEPSA-N 0 0 360.822 4.517 50 0 FJAARN COc1ccc2nc(/C=C\c3ccc(O)c(Br)c3)sc2c1 ZINC000096297676 210238717 /nfs/dbraw/zinc/23/87/17/210238717.db2.gz UMUZADPHECDFCI-CLTKARDFSA-N 0 0 362.248 4.943 50 0 FJAARN C[C@@H](CNC(=O)/C=C\c1c(F)cccc1F)c1nc2ccccc2s1 ZINC000096180143 210238280 /nfs/dbraw/zinc/23/82/80/210238280.db2.gz CKVHIENRBJDREJ-PRDAAYKISA-N 0 0 358.413 4.508 50 0 FJAARN CCOc1ccc(-c2cc(=O)c3cc(NC(=O)C(C)(C)C)ccc3o2)cc1 ZINC000009660015 210233996 /nfs/dbraw/zinc/23/39/96/210233996.db2.gz JTQYYVNMCWBXES-UHFFFAOYSA-N 0 0 365.429 4.843 50 0 FJAARN CCC(=O)Oc1cc2oc(CC)c(-c3nc(C)cs3)c(=O)c2cc1CC ZINC000004029729 210228557 /nfs/dbraw/zinc/22/85/57/210228557.db2.gz NSKTVFUKENAYFD-UHFFFAOYSA-N 0 0 371.458 4.665 50 0 FJAARN CCOc1cccc(=O)c2c(C)n(-c3ccc(Br)cc3)c(C)c21 ZINC000002137256 210227905 /nfs/dbraw/zinc/22/79/05/210227905.db2.gz ORFWOGDOLYDXJO-UHFFFAOYSA-N 0 0 372.262 4.769 50 0 FJAARN CCOc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000002581727 210227068 /nfs/dbraw/zinc/22/70/68/210227068.db2.gz HQXGATHQZYDMKR-UHFFFAOYSA-N 0 0 359.219 4.930 50 0 FJAARN CCCc1cc(=O)oc2cc(OC(=O)c3ccc(OC)cc3)c(Cl)cc12 ZINC000002140581 210227075 /nfs/dbraw/zinc/22/70/75/210227075.db2.gz QZSAAPXAQATUQY-UHFFFAOYSA-N 0 0 372.804 4.627 50 0 FJAARN COc1ccc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1OC ZINC000000647310 210225269 /nfs/dbraw/zinc/22/52/69/210225269.db2.gz XTNDQFHZAMBZPE-UHFFFAOYSA-N 0 0 353.418 4.530 50 0 FJAARN COc1ccccc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000001155602 210225401 /nfs/dbraw/zinc/22/54/01/210225401.db2.gz HVWGGOYETRAOGC-UHFFFAOYSA-N 0 0 350.414 4.568 50 0 FJAARN CC[C@]1(c2ccccc2)OC(=O)[C@H]2[C@H]1[C@@H]1CCCCC1=C1CCCC[C@H]12 ZINC000239425805 210209109 /nfs/dbraw/zinc/20/91/09/210209109.db2.gz VHGFKDSDGGXKQI-DXHZJSNDSA-N 0 0 350.502 5.772 50 0 FJAARN Cc1nc(C(C)C)sc1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000215203335 222642366 /nfs/dbraw/zinc/64/23/66/222642366.db2.gz JHGLZVZDFQYUDN-UHFFFAOYSA-N 0 0 353.491 4.861 50 0 FJAARN C1=C[C@H]([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000169818885 210175070 /nfs/dbraw/zinc/17/50/70/210175070.db2.gz HOVHKZIQYZHDRL-MHZLTWQESA-N 0 0 374.559 4.507 50 0 FJAARN Cc1[nH]c2ccccc2c1/C=C1\N=C(c2ccc(C(F)(F)F)cc2)OC1=O ZINC000025266158 210172775 /nfs/dbraw/zinc/17/27/75/210172775.db2.gz DMDGIGHHLKLLMI-YVLHZVERSA-N 0 0 370.330 4.840 50 0 FJAARN Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c(C)c1 ZINC000334163305 210163651 /nfs/dbraw/zinc/16/36/51/210163651.db2.gz NZORQDUKVSOBRJ-YVLHZVERSA-N 0 0 356.422 4.548 50 0 FJAARN Cc1ccc(NC(=O)CCc2ccccc2Br)c(Cl)c1 ZINC000004542944 210103919 /nfs/dbraw/zinc/10/39/19/210103919.db2.gz FHPPKNHIDKLBSW-UHFFFAOYSA-N 0 0 352.659 4.982 50 0 FJAARN CCCCSc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000008782964 210097911 /nfs/dbraw/zinc/09/79/11/210097911.db2.gz ISFFJOFNLNXPLJ-UHFFFAOYSA-N 0 0 357.475 4.992 50 0 biogenic,in-vitro FJAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)N(C(C)C)C(C)C)c2n1 ZINC000005274236 210081328 /nfs/dbraw/zinc/08/13/28/210081328.db2.gz KXFGBLKKQFUBLL-UHFFFAOYSA-N 0 0 366.509 4.635 50 0 FJAARN COc1ccccc1Nc1ncc([C@@]2(C)C[C@H](CC(C)C)C(=O)O2)s1 ZINC000001415254 210076353 /nfs/dbraw/zinc/07/63/53/210076353.db2.gz NBDUSUIBKVYLBV-ORAYPTAESA-N 0 0 360.479 4.720 50 0 FJAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000001233145 210076226 /nfs/dbraw/zinc/07/62/26/210076226.db2.gz HWLCLKRKRCCONE-UHFFFAOYSA-N 0 0 364.828 4.898 50 0 FJAARN O=S(=O)(Nc1ccccc1F)c1cc(Cl)c(Cl)cc1Cl ZINC000000641797 210073760 /nfs/dbraw/zinc/07/37/60/210073760.db2.gz BEKFXNHDESZJQR-UHFFFAOYSA-N 0 0 354.617 4.587 50 0 FJAARN BrC1(Br)[C@@]23CC=CC[C@@]12Cc1ccccc1C3 ZINC000071785830 210063146 /nfs/dbraw/zinc/06/31/46/210063146.db2.gz VRXMJVLAEYAFRM-OKILXGFUSA-N 0 0 354.085 4.608 50 0 FJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1nc2ccccc2s1 ZINC000045068040 210047426 /nfs/dbraw/zinc/04/74/26/210047426.db2.gz GYUPIOHMTCRMER-UHFFFAOYSA-N 0 0 374.878 4.557 50 0 FJAARN Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3c3ccccn3)cc2s1 ZINC000299784196 210027851 /nfs/dbraw/zinc/02/78/51/210027851.db2.gz LJTKLDHAQAVRII-QGZVFWFLSA-N 0 0 352.463 4.759 50 0 FJAARN O=C(Nc1cc(F)ccc1Cl)N1CCCC[C@@H]1CCc1ccccn1 ZINC000299780677 210024894 /nfs/dbraw/zinc/02/48/94/210024894.db2.gz CENZWNYEYODPTI-MRXNPFEDSA-N 0 0 361.848 4.893 50 0 FJAARN Cc1nn(C(C)C)cc1-c1cccc(C(=O)NCCc2ccccc2F)c1 ZINC000299780503 210025278 /nfs/dbraw/zinc/02/52/78/210025278.db2.gz JZPSMISCHSZSFH-UHFFFAOYSA-N 0 0 365.452 4.551 50 0 FJAARN CN(CC[C@H]1CCCCO1)C(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000299779272 210023801 /nfs/dbraw/zinc/02/38/01/210023801.db2.gz NDOTUDQUGNQJAX-HXUWFJFHSA-N 0 0 356.441 4.916 50 0 FJAARN CCCO[C@H]1CCCN(C(=O)Nc2ccc(SCc3ccco3)cc2)C1 ZINC000299779730 210023267 /nfs/dbraw/zinc/02/32/67/210023267.db2.gz IKRBQLFNEVPROJ-KRWDZBQOSA-N 0 0 374.506 4.995 50 0 FJAARN 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CCc1nc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cn2)cs1 ZINC000058180407 136130813 /nfs/dbraw/zinc/13/08/13/136130813.db2.gz RWALDYZYMGSDCR-KRWDZBQOSA-N 0 0 370.865 4.525 50 0 FJAARN Cc1sc2ncnc(N3CCC(Nc4ccc(F)cc4)CC3)c2c1C ZINC000058358179 136131527 /nfs/dbraw/zinc/13/15/27/136131527.db2.gz UVFGRSGQZAMWKA-UHFFFAOYSA-N 0 0 356.470 4.528 50 0 FJAARN Cc1cccc(NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)c1 ZINC000065025733 136134624 /nfs/dbraw/zinc/13/46/24/136134624.db2.gz ZKOWCGUXMCBDBH-UHFFFAOYSA-N 0 0 372.472 4.695 50 0 FJAARN C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000065575536 136136680 /nfs/dbraw/zinc/13/66/80/136136680.db2.gz AWPMKSKPPTWDNM-QGZVFWFLSA-N 0 0 374.440 4.621 50 0 FJAARN Cc1ccccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000072193637 136143851 /nfs/dbraw/zinc/14/38/51/136143851.db2.gz AOVGXQJEQYODQG-UHFFFAOYSA-N 0 0 372.896 4.902 50 0 FJAARN CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000009137671 136151662 /nfs/dbraw/zinc/15/16/62/136151662.db2.gz NLRMFPCHBDQIQO-UHFFFAOYSA-N 0 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353.853 4.730 50 0 FJAARN CCc1cccc(C)c1Nc1nn2c(nc3cc(Cl)ccc3c2=O)s1 ZINC000065330014 221199910 /nfs/dbraw/zinc/19/99/10/221199910.db2.gz RFSLFKMKEXGTQW-UHFFFAOYSA-N 0 0 370.865 4.572 50 0 FJAARN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2CCCC ZINC000065322334 221200271 /nfs/dbraw/zinc/20/02/71/221200271.db2.gz QRDGYOYRTHJDNF-UHFFFAOYSA-N 0 0 370.541 4.951 50 0 FJAARN CCc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000065331159 221201118 /nfs/dbraw/zinc/20/11/18/221201118.db2.gz WETHFKWFBGTGHP-QGZVFWFLSA-N 0 0 351.837 4.562 50 0 FJAARN CCOc1ccccc1NC(=O)Nc1ccc(Nc2ccc(C)nn2)cc1 ZINC000065363508 221202538 /nfs/dbraw/zinc/20/25/38/221202538.db2.gz BRJKOHIDRFWBNG-UHFFFAOYSA-N 0 0 363.421 4.571 50 0 FJAARN OCc1ccc(-c2c(-c3ccccc3)ncn2[C@@H]2COC3(CCCC3)C2)o1 ZINC000065373238 221205361 /nfs/dbraw/zinc/20/53/61/221205361.db2.gz WICZHFBXTKTAMZ-KRWDZBQOSA-N 0 0 364.445 4.577 50 0 FJAARN c1cn(CCn2cnc(-c3ccccc3)c2-c2cccc3cnccc32)cn1 ZINC000065380443 221206828 /nfs/dbraw/zinc/20/68/28/221206828.db2.gz 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C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000012982249 570770394 /nfs/dbraw/zinc/77/03/94/570770394.db2.gz JOVVCLVFLKNGKZ-AUUYWEPGSA-N 0 0 355.434 4.560 50 0 FJAARN Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(C)o1 ZINC000012982956 570770434 /nfs/dbraw/zinc/77/04/34/570770434.db2.gz UYZBOPRUUOLXAA-UHFFFAOYSA-N 0 0 352.415 4.696 50 0 FJAARN CC[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(C)cc1 ZINC000012999518 570771720 /nfs/dbraw/zinc/77/17/20/570771720.db2.gz HZZLRCHESGORTB-MRXNPFEDSA-N 0 0 356.516 4.990 50 0 FJAARN O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)[C@H]1CC=CCC1 ZINC000013002561 570772163 /nfs/dbraw/zinc/77/21/63/570772163.db2.gz SIAYDZOQYADNHN-LBPRGKRZSA-N 0 0 350.249 4.533 50 0 FJAARN Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1Cl ZINC000084183069 570773230 /nfs/dbraw/zinc/77/32/30/570773230.db2.gz KMIVEDSAKSESLX-KBPBESRZSA-N 0 0 368.786 4.914 50 0 FJAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013098520 570773396 /nfs/dbraw/zinc/77/33/96/570773396.db2.gz BITXMAYQYBLCDX-NQIIRXRSSA-N 0 0 362.454 4.999 50 0 FJAARN O=C(COc1cccc2ccccc21)Nc1cccc(Br)c1 ZINC000004666195 570774592 /nfs/dbraw/zinc/77/45/92/570774592.db2.gz MMCKJCQYLWQBBA-UHFFFAOYSA-N 0 0 356.219 4.620 50 0 FJAARN CCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1 ZINC000004803687 570774605 /nfs/dbraw/zinc/77/46/05/570774605.db2.gz ZGPKCAAJRLRXJH-UHFFFAOYSA-N 0 0 361.463 4.583 50 0 FJAARN COc1cccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1 ZINC000013326045 570776199 /nfs/dbraw/zinc/77/61/99/570776199.db2.gz BZFOSZUAJMVNLI-UHFFFAOYSA-N 0 0 360.772 4.703 50 0 FJAARN C[C@@H](NC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000013306515 570776437 /nfs/dbraw/zinc/77/64/37/570776437.db2.gz GWGHORCJADMCPA-HDICACEKSA-N 0 0 372.468 4.669 50 0 FJAARN COc1cccc([C@H](C)NC(=O)c2c(C)onc2-c2ccccc2Cl)c1 ZINC000013328807 570776631 /nfs/dbraw/zinc/77/66/31/570776631.db2.gz HUVBBMXTWNYRJJ-LBPRGKRZSA-N 0 0 370.836 4.803 50 0 FJAARN Cc1sc2[nH]c(CNc3ccc(F)cc3)nc(=O)c2c1-c1ccccc1 ZINC000013362362 570777187 /nfs/dbraw/zinc/77/71/87/570777187.db2.gz HFPPNGYNFQSCQG-UHFFFAOYSA-N 0 0 365.433 4.711 50 0 FJAARN COc1ccc([C@H]2SCCN2C(=S)Nc2ccc(Cl)cc2)cc1 ZINC000013496601 570778442 /nfs/dbraw/zinc/77/84/42/570778442.db2.gz BNSMXFMCHJCBAR-MRXNPFEDSA-N 0 0 364.923 4.793 50 0 FJAARN CC(C)(C)c1ccc(C(=O)c2c[nH]nc2-c2cc(Cl)ccc2O)cc1 ZINC000004427296 570778625 /nfs/dbraw/zinc/77/86/25/570778625.db2.gz USYSLWKDSDXXIR-UHFFFAOYSA-N 0 0 354.837 4.964 50 0 FJAARN Cc1cccc(N(C)C(=O)c2cc3c(s2)c2cc(C)ccc2[nH]c3=O)c1 ZINC000013520295 570778747 /nfs/dbraw/zinc/77/87/47/570778747.db2.gz IAIBBTPNZXNDBG-UHFFFAOYSA-N 0 0 362.454 4.636 50 0 FJAARN CCC(=O)c1ccc(O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000032718998 570779586 /nfs/dbraw/zinc/77/95/86/570779586.db2.gz FUUIUVYYFYSUEC-HNNXBMFYSA-N 0 0 367.445 4.524 50 0 FJAARN CCOc1ccc(OCC)c(NC(=O)c2oc3c(cccc3F)c2C)c1 ZINC000032719579 570781215 /nfs/dbraw/zinc/78/12/15/570781215.db2.gz XHDWCUKMSUOZPG-UHFFFAOYSA-N 0 0 357.381 4.930 50 0 FJAARN CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cc(C)ccc1C ZINC000013644641 570782050 /nfs/dbraw/zinc/78/20/50/570782050.db2.gz NWOZAKSVXXRFBP-UHFFFAOYSA-N 0 0 362.473 4.787 50 0 FJAARN CCN(C(=O)Cc1coc2cc(C)ccc12)c1nc2ccccc2s1 ZINC000032722468 570782957 /nfs/dbraw/zinc/78/29/57/570782957.db2.gz YNISBQWCCPQUJE-UHFFFAOYSA-N 0 0 350.443 4.947 50 0 FJAARN CC[C@H](c1nn2c(nnc2-c2ccc3ccccc3n2)s1)c1ccccc1 ZINC000013693140 570785185 /nfs/dbraw/zinc/78/51/85/570785185.db2.gz QZGJTRHABKHCKK-INIZCTEOSA-N 0 0 371.469 4.943 50 0 FJAARN COc1ccc([C@@H]2n3c4ccccc4nc3-c3ccccc3N2C)cc1OC ZINC000013712455 570786017 /nfs/dbraw/zinc/78/60/17/570786017.db2.gz INYPAKBCKOTQHE-QHCPKHFHSA-N 0 0 371.440 4.717 50 0 FJAARN Clc1ccccc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn21 ZINC000013723463 570787171 /nfs/dbraw/zinc/78/71/71/570787171.db2.gz MBVMDCBWNMDDID-UHFFFAOYSA-N 0 0 351.822 4.655 50 0 FJAARN COc1ccc(C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)cc1Cl ZINC000013732433 570788260 /nfs/dbraw/zinc/78/82/60/570788260.db2.gz ICWQPWSDYNXJCX-UHFFFAOYSA-N 0 0 371.824 4.774 50 0 FJAARN C[C@@H]1CN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)C[C@H](C)O1 ZINC000013759521 570789409 /nfs/dbraw/zinc/78/94/09/570789409.db2.gz AKXANHXHAUVJHK-GASCZTMLSA-N 0 0 359.429 4.657 50 0 FJAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000013845409 570792795 /nfs/dbraw/zinc/79/27/95/570792795.db2.gz IWBIFJLCZFJFQS-HDICACEKSA-N 0 0 353.805 4.588 50 0 FJAARN CCN(C(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1C ZINC000032753834 570793729 /nfs/dbraw/zinc/79/37/29/570793729.db2.gz BHFKQRPRTTWLMZ-UHFFFAOYSA-N 0 0 370.449 4.836 50 0 FJAARN COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000032754462 570794444 /nfs/dbraw/zinc/79/44/44/570794444.db2.gz CXUYULCMGGMVRU-CYBMUJFWSA-N 0 0 372.852 4.726 50 0 FJAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1C(F)(F)F ZINC000032776613 570794923 /nfs/dbraw/zinc/79/49/23/570794923.db2.gz LANZSXOVZWCBFM-HNNXBMFYSA-N 0 0 365.351 4.516 50 0 FJAARN O=C(Nc1cccc(-c2nnco2)c1)C1c2ccccc2Oc2ccccc21 ZINC000032777327 570795468 /nfs/dbraw/zinc/79/54/68/570795468.db2.gz KBUFKKAIRVRSGR-UHFFFAOYSA-N 0 0 369.380 4.613 50 0 FJAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc3ncsc3c2)CCS1 ZINC000207002967 570795904 /nfs/dbraw/zinc/79/59/04/570795904.db2.gz UOHKIQJZLZFFPI-SFHVURJKSA-N 0 0 368.527 4.925 50 0 FJAARN COc1cccc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)c1OC ZINC000004479388 570796154 /nfs/dbraw/zinc/79/61/54/570796154.db2.gz PFBRLWCOLZXBHA-UHFFFAOYSA-N 0 0 362.838 4.528 50 0 FJAARN O=C(O[C@H](c1ccccc1)c1ccccn1)c1ccc(OC(F)F)cc1 ZINC000032764588 570796157 /nfs/dbraw/zinc/79/61/57/570796157.db2.gz HAZMGUNGWNOTIS-GOSISDBHSA-N 0 0 355.340 4.629 50 0 FJAARN Cc1oc(-c2ccccc2)nc1CSCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000032779188 570798956 /nfs/dbraw/zinc/79/89/56/570798956.db2.gz QCQYGFOPRVUZKS-WMLDXEAASA-N 0 0 358.507 4.578 50 0 FJAARN CN(C(=O)CSCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000032778860 570800192 /nfs/dbraw/zinc/80/01/92/570800192.db2.gz VVFMCWWWGXNPFV-UHFFFAOYSA-N 0 0 372.490 4.845 50 0 FJAARN Cc1ccc(S[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000100932959 570800916 /nfs/dbraw/zinc/80/09/16/570800916.db2.gz NTSCLTBGDRNNOH-OAHLLOKOSA-N 0 0 366.269 4.726 50 0 FJAARN Cc1cccc(NC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 ZINC000014014287 570801901 /nfs/dbraw/zinc/80/19/01/570801901.db2.gz IIGHIYJWIQXOLE-FQEVSTJZSA-N 0 0 354.450 4.675 50 0 FJAARN CCOc1ccc([C@H](C)NC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000014022610 570802340 /nfs/dbraw/zinc/80/23/40/570802340.db2.gz INPLEHBEDROHKL-UGSOOPFHSA-N 0 0 374.481 4.822 50 0 FJAARN O=C(Nc1nc2ccccc2[nH]1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000014084786 570804247 /nfs/dbraw/zinc/80/42/47/570804247.db2.gz UXYRZWYEQMIFKV-UHFFFAOYSA-N 0 0 354.822 4.592 50 0 FJAARN CCOc1cccc2cc([C@H](C)NC(=O)N[C@@H](C)c3ccccc3)oc21 ZINC000032802164 570804544 /nfs/dbraw/zinc/80/45/44/570804544.db2.gz KKADTLYWVILLIP-GJZGRUSLSA-N 0 0 352.434 4.953 50 0 FJAARN CCOc1ccccc1-c1nnc(SCC(=O)c2cc(C)ccc2C)o1 ZINC000014112140 570806075 /nfs/dbraw/zinc/80/60/75/570806075.db2.gz 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/nfs/dbraw/zinc/80/93/91/570809391.db2.gz VYOWGKNYESAVJU-GFCCVEGCSA-N 0 0 362.549 4.536 50 0 FJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCC(C)C)cc1 ZINC000014184705 570810724 /nfs/dbraw/zinc/81/07/24/570810724.db2.gz LFVUDMFGIFVQIO-UHFFFAOYSA-N 0 0 350.462 4.548 50 0 FJAARN Cc1ccccc1NC=C1c2ccccc2C(=O)N(c2ccccc2C)C1=O ZINC000018129672 570812466 /nfs/dbraw/zinc/81/24/66/570812466.db2.gz FDDRGKQXXFMUGZ-HMMYKYKNSA-N 0 0 368.436 4.943 50 0 FJAARN COc1cccc(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OC ZINC000018174163 570813828 /nfs/dbraw/zinc/81/38/28/570813828.db2.gz PSQRLDGHHDXNOV-UHFFFAOYSA-N 0 0 369.248 4.675 50 0 FJAARN CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(C)cc2)c1=S ZINC000014231818 570814545 /nfs/dbraw/zinc/81/45/45/570814545.db2.gz IELBRMJFQXWEQP-UHFFFAOYSA-N 0 0 358.536 4.560 50 0 FJAARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cccc(SC)c1 ZINC000101093527 570814737 /nfs/dbraw/zinc/81/47/37/570814737.db2.gz BCZDMWMYIRLHPR-UHFFFAOYSA-N 0 0 369.446 4.591 50 0 FJAARN CCCn1c2ccccc2nc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000005694709 570816390 /nfs/dbraw/zinc/81/63/90/570816390.db2.gz XVJLIIHFQCRIPB-OAHLLOKOSA-N 0 0 365.502 4.516 50 0 FJAARN CC(C)(C)[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000032832742 570818697 /nfs/dbraw/zinc/81/86/97/570818697.db2.gz HYQMJFYJYLFNHG-HXUWFJFHSA-N 0 0 363.461 4.573 50 0 FJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000014566712 570819484 /nfs/dbraw/zinc/81/94/84/570819484.db2.gz BIOLDWZSHBYIQL-UHFFFAOYSA-N 0 0 357.841 4.610 50 0 FJAARN Cc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)c(C)c1 ZINC000004535328 570819725 /nfs/dbraw/zinc/81/97/25/570819725.db2.gz SKNYHQDRJIJFAL-UHFFFAOYSA-N 0 0 374.362 4.642 50 0 FJAARN Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)s1 ZINC000032841605 570820132 /nfs/dbraw/zinc/82/01/32/570820132.db2.gz IFLICVSMXFOBDP-UHFFFAOYSA-N 0 0 357.262 4.547 50 0 FJAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000004540035 570820558 /nfs/dbraw/zinc/82/05/58/570820558.db2.gz MGCBIMPPEFILPU-FQEVSTJZSA-N 0 0 361.372 4.532 50 0 FJAARN COc1ccc(CC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000032845925 570820979 /nfs/dbraw/zinc/82/09/79/570820979.db2.gz UIRVJGXGEKPHKV-XMMPIXPASA-N 0 0 371.436 4.890 50 0 FJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]nc1-c1ccccc1 ZINC000032856028 570822152 /nfs/dbraw/zinc/82/21/52/570822152.db2.gz QDACNQCPNLAPFF-UHFFFAOYSA-N 0 0 369.424 4.908 50 0 FJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2cccc(Cl)c2)c1Cl ZINC000014704463 570822439 /nfs/dbraw/zinc/82/24/39/570822439.db2.gz ZWGRZLFADSIKFN-UHFFFAOYSA-N 0 0 366.031 4.634 50 0 FJAARN O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014709776 570822568 /nfs/dbraw/zinc/82/25/68/570822568.db2.gz QBYSOSAUQCNWGX-UHFFFAOYSA-N 0 0 369.827 4.796 50 0 FJAARN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000014739528 570822850 /nfs/dbraw/zinc/82/28/50/570822850.db2.gz LMVPTAZPKSJDOQ-HNNXBMFYSA-N 0 0 370.880 4.763 50 0 FJAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1ccc2c(c1)CCC2 ZINC000004548424 570822882 /nfs/dbraw/zinc/82/28/82/570822882.db2.gz HNZQLWVHRAEQJC-LBPRGKRZSA-N 0 0 368.433 4.728 50 0 FJAARN Fc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)cc1 ZINC000014846069 570824225 /nfs/dbraw/zinc/82/42/25/570824225.db2.gz RJLOIMXECAGQTB-UHFFFAOYSA-N 0 0 353.378 4.578 50 0 FJAARN Cc1nc(NCc2cccs2)sc1-c1ccn(C[C@H]2CCCCO2)n1 ZINC000014882725 570825316 /nfs/dbraw/zinc/82/53/16/570825316.db2.gz CDXVWHUDBXAVRE-CQSZACIVSA-N 0 0 374.535 4.558 50 0 FJAARN CC[C@@H](Nc1ncnc2sc(C(=O)NC3CC3)c(C)c21)c1cccs1 ZINC000014886947 570825480 /nfs/dbraw/zinc/82/54/80/570825480.db2.gz HNFLZEVLBQNFLL-GFCCVEGCSA-N 0 0 372.519 4.517 50 0 FJAARN CC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000102112693 570826873 /nfs/dbraw/zinc/82/68/73/570826873.db2.gz HKFJCIANJHBGAS-QFIPXVFZSA-N 0 0 360.461 4.604 50 0 FJAARN CC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 ZINC000102112689 570826931 /nfs/dbraw/zinc/82/69/31/570826931.db2.gz HKFJCIANJHBGAS-JOCHJYFZSA-N 0 0 360.461 4.604 50 0 FJAARN COc1cccc(CN(C)Cc2nc(-c3cc(F)cc(F)c3)oc2C)c1 ZINC000014980872 570828048 /nfs/dbraw/zinc/82/80/48/570828048.db2.gz MCLKBMAKYHBXDL-UHFFFAOYSA-N 0 0 358.388 4.569 50 0 FJAARN Cc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000015010660 570829225 /nfs/dbraw/zinc/82/92/25/570829225.db2.gz OHUJPPORGJUZPD-YVLHZVERSA-N 0 0 371.845 4.568 50 0 FJAARN Cc1ccc(-c2nc(CN(C)Cc3ccc4nsnc4c3)c(C)o2)s1 ZINC000015065668 570831035 /nfs/dbraw/zinc/83/10/35/570831035.db2.gz AVXJFCHUSADNQS-UHFFFAOYSA-N 0 0 370.503 4.657 50 0 FJAARN O=C(Cc1c(Br)oc2ccc(F)cc21)Oc1ccc(F)cc1 ZINC000015083997 570833064 /nfs/dbraw/zinc/83/30/64/570833064.db2.gz QJIBWDLAPGQTMG-UHFFFAOYSA-N 0 0 367.145 4.622 50 0 FJAARN Cc1nccn1-c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000015084154 570833071 /nfs/dbraw/zinc/83/30/71/570833071.db2.gz LKTJXCOVOLBUOC-UHFFFAOYSA-N 0 0 358.445 4.623 50 0 FJAARN CC[C@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 ZINC000032883704 570835063 /nfs/dbraw/zinc/83/50/63/570835063.db2.gz FCVMTURORSSXGX-KSFYIVLOSA-N 0 0 364.489 4.890 50 0 FJAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1Cc1ccco1 ZINC000102723940 570835961 /nfs/dbraw/zinc/83/59/61/570835961.db2.gz SNXKSICTXSWUTI-UHFFFAOYSA-N 0 0 371.849 4.819 50 0 FJAARN COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1scnc1-c1ccccc1 ZINC000102724659 570835995 /nfs/dbraw/zinc/83/59/95/570835995.db2.gz IMUAPECKAHILIV-CVEARBPZSA-N 0 0 350.443 4.561 50 0 FJAARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000102725653 570836473 /nfs/dbraw/zinc/83/64/73/570836473.db2.gz ZNIHEZQKQKLYRD-QGZVFWFLSA-N 0 0 354.406 4.547 50 0 FJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(C)on1 ZINC000032889641 570836755 /nfs/dbraw/zinc/83/67/55/570836755.db2.gz YXOOCPHICFJHFF-UHFFFAOYSA-N 0 0 365.433 4.616 50 0 FJAARN CSc1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000102739597 570837670 /nfs/dbraw/zinc/83/76/70/570837670.db2.gz CCXBKFCFTTYOCF-OAHLLOKOSA-N 0 0 356.451 4.663 50 0 FJAARN COc1cc([C@H]2c3c(onc3C(C)(C)C)NC3=C2C(=O)CCC3)ccc1O ZINC000102750583 570838026 /nfs/dbraw/zinc/83/80/26/570838026.db2.gz 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COc1cc(OC)c(NC(=O)N2CCC[C@@H]2c2cccs2)cc1Cl ZINC000015837550 570845248 /nfs/dbraw/zinc/84/52/48/570845248.db2.gz NAWOWHUQXMOZFJ-CYBMUJFWSA-N 0 0 366.870 4.788 50 0 FJAARN Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2Cl)c2cccnc2)c1 ZINC000015839838 570845257 /nfs/dbraw/zinc/84/52/57/570845257.db2.gz ZEYCIIWJPKIYMZ-FQEVSTJZSA-N 0 0 350.849 4.871 50 0 FJAARN O=c1nc(SCc2ccc(F)cc2)c2c(n1C1CCCCC1)CCC2 ZINC000015840344 570845606 /nfs/dbraw/zinc/84/56/06/570845606.db2.gz ZHOWGEAJUJBTEA-UHFFFAOYSA-N 0 0 358.482 4.669 50 0 FJAARN CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)c2cccnc12 ZINC000015840851 570845673 /nfs/dbraw/zinc/84/56/73/570845673.db2.gz PJYMDZANJQMOGU-KRWDZBQOSA-N 0 0 368.408 4.569 50 0 FJAARN CCCCOc1ccc(NC(=O)c2ccccc2OC)c2cccnc12 ZINC000015841060 570846135 /nfs/dbraw/zinc/84/61/35/570846135.db2.gz ZEXOOOAEYMKNKP-UHFFFAOYSA-N 0 0 350.418 4.675 50 0 FJAARN CCc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2sccc2C)cc1 ZINC000015866816 570846987 /nfs/dbraw/zinc/84/69/87/570846987.db2.gz VHAWFVMKBUNSOG-SFHVURJKSA-N 0 0 363.548 4.925 50 0 FJAARN CC(C)Sc1nc2ccccc2n1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000015913182 570848043 /nfs/dbraw/zinc/84/80/43/570848043.db2.gz GOTJTMCORCMCOI-HNNXBMFYSA-N 0 0 365.502 4.515 50 0 FJAARN CCc1nnc(NC(=O)c2ccccc2OCc2ccccc2Cl)s1 ZINC000015963533 570848339 /nfs/dbraw/zinc/84/83/39/570848339.db2.gz MXUGIZPEERIFCZ-UHFFFAOYSA-N 0 0 373.865 4.585 50 0 FJAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)c1ccccc1 ZINC000032910011 570849962 /nfs/dbraw/zinc/84/99/62/570849962.db2.gz KMWINWAZRMSJIC-HNNXBMFYSA-N 0 0 371.392 4.923 50 0 FJAARN COc1ccc(OC)c(/C=C/C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000016032354 570850077 /nfs/dbraw/zinc/85/00/77/570850077.db2.gz UEUSERDFZBEQJX-RMKNXTFCSA-N 0 0 352.217 4.663 50 0 FJAARN CCSc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 ZINC000004585869 570852983 /nfs/dbraw/zinc/85/29/83/570852983.db2.gz MHJBJGNUWCNSQB-UHFFFAOYSA-N 0 0 374.487 4.678 50 0 FJAARN CCCC1CCC(C2=N/C(=C\c3ccc(OC)c(OC)c3)C(=O)O2)CC1 ZINC000004588464 570854843 /nfs/dbraw/zinc/85/48/43/570854843.db2.gz 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/nfs/dbraw/zinc/85/81/29/570858129.db2.gz COASAZRQRJOONF-JTQLQIEISA-N 0 0 361.264 4.539 50 0 FJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C[C@H]1c1ccccc1F ZINC000104490704 570860119 /nfs/dbraw/zinc/86/01/19/570860119.db2.gz BITHJRXCCJZHMN-YOEHRIQHSA-N 0 0 370.811 4.728 50 0 FJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000016752637 570861396 /nfs/dbraw/zinc/86/13/96/570861396.db2.gz YFNLLXYOKSJOOG-UHFFFAOYSA-N 0 0 367.710 4.718 50 0 FJAARN S=c1n(CN(C2CC2)C2CCCC2)nc(C2CC2)n1-c1ccccc1 ZINC000032923194 570862753 /nfs/dbraw/zinc/86/27/53/570862753.db2.gz OYJMWXRPOQWJCM-UHFFFAOYSA-N 0 0 354.523 4.645 50 0 FJAARN Cc1nc(NCCOc2ccc(C)cc2)sc1C(=O)Nc1ccccc1 ZINC000016847545 570862896 /nfs/dbraw/zinc/86/28/96/570862896.db2.gz TXKCKUKOHCOLNK-UHFFFAOYSA-N 0 0 367.474 4.503 50 0 FJAARN CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21 ZINC000016975781 570864496 /nfs/dbraw/zinc/86/44/96/570864496.db2.gz STARTUSEPHAJAL-UHFFFAOYSA-N 0 0 350.447 4.698 50 0 FJAARN Cc1cccc(-c2nc(CNC(=O)c3ccc(F)cc3Cl)cs2)c1 ZINC000017074345 570867039 /nfs/dbraw/zinc/86/70/39/570867039.db2.gz JRTQUGFQKCVSDN-UHFFFAOYSA-N 0 0 360.841 4.841 50 0 FJAARN Cc1cccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)c1C ZINC000017124569 570869475 /nfs/dbraw/zinc/86/94/75/570869475.db2.gz XYWFDDYHYLNATQ-UHFFFAOYSA-N 0 0 372.425 4.517 50 0 FJAARN CSCc1ccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1 ZINC000032930274 570870280 /nfs/dbraw/zinc/87/02/80/570870280.db2.gz LQBMZQJVKQSTBU-UHFFFAOYSA-N 0 0 356.491 4.705 50 0 FJAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(Cl)n1 ZINC000032932304 570872199 /nfs/dbraw/zinc/87/21/99/570872199.db2.gz YJWAGWUUPNXJMR-LJQANCHMSA-N 0 0 350.849 4.757 50 0 FJAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000018212619 570876667 /nfs/dbraw/zinc/87/66/67/570876667.db2.gz MGGZNBYDMIZPGZ-HDICACEKSA-N 0 0 355.821 4.812 50 0 FJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCCc1ccccc1 ZINC000002629194 570882704 /nfs/dbraw/zinc/88/27/04/570882704.db2.gz CJHGFYFIJOICMV-DTQAZKPQSA-N 0 0 357.453 4.638 50 0 FJAARN FC(F)(F)c1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019360211 570887288 /nfs/dbraw/zinc/88/72/88/570887288.db2.gz ORUGOANPAANSTP-UHFFFAOYSA-N 0 0 368.830 4.677 50 0 FJAARN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012216985 570892440 /nfs/dbraw/zinc/89/24/40/570892440.db2.gz IKFRWSRCCPCDLW-UHFFFAOYSA-N 0 0 373.456 4.648 50 0 FJAARN CCOc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000044838013 570900879 /nfs/dbraw/zinc/90/08/79/570900879.db2.gz KUBDLCMYJAQMMQ-UHFFFAOYSA-N 0 0 357.413 4.881 50 0 FJAARN COc1ccccc1N1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 ZINC000019720432 570900910 /nfs/dbraw/zinc/90/09/10/570900910.db2.gz UIFIMEHAGSUNGD-UHFFFAOYSA-N 0 0 367.880 4.532 50 0 FJAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(N)c2)c(C(C)(C)C)c1 ZINC000019736043 570901164 /nfs/dbraw/zinc/90/11/64/570901164.db2.gz INPSCMKGGIYSKO-UHFFFAOYSA-N 0 0 354.494 4.881 50 0 FJAARN COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc1 ZINC000020102241 570909832 /nfs/dbraw/zinc/90/98/32/570909832.db2.gz 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Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2Cl)o1 ZINC000238950469 524234524 /nfs/dbraw/zinc/23/45/24/524234524.db2.gz YHUCPPGUICXRCA-RXVVDRJESA-N 0 0 364.832 5.484 50 0 FJAARN COc1ccc(N2C(=O)c3ccc(Cl)c4c(Cl)ccc(c34)C2=O)cc1 ZINC000000710881 524398827 /nfs/dbraw/zinc/39/88/27/524398827.db2.gz BCMLOUAQMPQPJQ-UHFFFAOYSA-N 0 0 372.207 4.956 50 0 FJAARN Cc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3ccccc32)cc1 ZINC000020388296 524511354 /nfs/dbraw/zinc/51/13/54/524511354.db2.gz HYXKVBQCFVQNDJ-UHFFFAOYSA-N 0 0 360.482 4.995 50 0 FJAARN Cc1cc(C)nc(SCc2ccc(C(=O)NCCC3=CCCCC3)o2)n1 ZINC000079495533 524602687 /nfs/dbraw/zinc/60/26/87/524602687.db2.gz ACFNWWYMHVCNPM-UHFFFAOYSA-N 0 0 371.506 4.599 50 0 FJAARN C[C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C[C@@H](c2ccccc2)O1 ZINC000084713987 524771958 /nfs/dbraw/zinc/77/19/58/524771958.db2.gz MBQLUKQRZNGHAV-JPYJTQIMSA-N 0 0 374.484 4.603 50 0 FJAARN Cc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C)c1 ZINC000000644588 524961432 /nfs/dbraw/zinc/96/14/32/524961432.db2.gz 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O=C1/C(=C/c2ccccc2)N=C(N2CCCCC2)N1c1cccc(Cl)c1 ZINC000000640508 567971357 /nfs/dbraw/zinc/97/13/57/567971357.db2.gz KMCFSBVNBPUZPH-RGEXLXHISA-N 0 0 365.864 4.570 50 0 FJAARN COc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC000000655812 568045971 /nfs/dbraw/zinc/04/59/71/568045971.db2.gz MHBWVJCRRHVZSI-UHFFFAOYSA-N 0 0 362.159 4.856 50 0 FJAARN Cc1ccc(-c2nc(N=NCc3ccc([N+](=O)[O-])o3)nc3ccccc32)cc1 ZINC000245264676 568050074 /nfs/dbraw/zinc/05/00/74/568050074.db2.gz DSTZDNJPNDAURZ-UHFFFAOYSA-N 0 0 373.372 4.552 50 0 FJAARN CC[C@H]1CCc2nc3sc(C(=O)c4ccc(C)cc4)c(N)c3cc2C1 ZINC000000661990 568063180 /nfs/dbraw/zinc/06/31/80/568063180.db2.gz DTAMJEOGNBWDMS-ZDUSSCGKSA-N 0 0 350.487 4.933 50 0 FJAARN CC[C@@H]1CCc2nc3sc(C(=O)c4ccc(C)cc4)c(N)c3cc2C1 ZINC000000661992 568063197 /nfs/dbraw/zinc/06/31/97/568063197.db2.gz DTAMJEOGNBWDMS-CYBMUJFWSA-N 0 0 350.487 4.933 50 0 FJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1 ZINC000000666663 568066788 /nfs/dbraw/zinc/06/67/88/568066788.db2.gz 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c1nc(-c2ccccc2)c(COCc2ccccc2)n1CCc1ccccn1 ZINC000065370028 205339632 /nfs/dbraw/zinc/33/96/32/205339632.db2.gz BEMPBHUWUOVHJX-UHFFFAOYSA-N 0 0 369.468 4.905 50 0 FJAARN CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H](O)c2cccnc2)o1 ZINC000065384653 205344097 /nfs/dbraw/zinc/34/40/97/205344097.db2.gz FYJXMHYYUKQOHG-LJQANCHMSA-N 0 0 359.429 4.501 50 0 FJAARN COc1ccccc1/C=C/c1c(-c2ccccc2)ncn1Cc1ncc[nH]1 ZINC000065397221 205346073 /nfs/dbraw/zinc/34/60/73/205346073.db2.gz TYPCCCPZAARWCH-VAWYXSNFSA-N 0 0 356.429 4.501 50 0 FJAARN Cc1ccc(-c2nc(NCCc3cccnc3)ncc2-c2ccncc2)cc1 ZINC000065405199 205346973 /nfs/dbraw/zinc/34/69/73/205346973.db2.gz XFEHGTBOJXUSPK-UHFFFAOYSA-N 0 0 367.456 4.564 50 0 FJAARN Cc1cc(C)nc(NC(=O)c2cccc(CN(C)[C@@H](C)c3cccnc3)c2)c1 ZINC000065407506 205347875 /nfs/dbraw/zinc/34/78/75/205347875.db2.gz WBKXBLQARAVYHK-SFHVURJKSA-N 0 0 374.488 4.539 50 0 FJAARN COc1ccccc1-c1noc(Cc2nc(-c3cccs3)cs2)n1 ZINC000067246066 205368061 /nfs/dbraw/zinc/36/80/61/205368061.db2.gz 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/nfs/dbraw/zinc/37/12/11/205371211.db2.gz BOKRGMQCYOEESZ-UHFFFAOYSA-N 0 0 372.468 4.647 50 0 FJAARN COc1cc(C)c(-c2nc(CN3CCC(F)(F)CC3)c(C)o2)cc1C ZINC000067694671 205384538 /nfs/dbraw/zinc/38/45/38/205384538.db2.gz ULGRJLWBIIDASP-UHFFFAOYSA-N 0 0 350.409 4.507 50 0 FJAARN Fc1cc(Oc2ccc(C(F)(F)F)cn2)cc(F)c1CN1CCCC1 ZINC000067713953 205384770 /nfs/dbraw/zinc/38/47/70/205384770.db2.gz FVALTABFBIHJCU-UHFFFAOYSA-N 0 0 358.310 4.767 50 0 FJAARN O=C(c1ccoc1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067785340 205390791 /nfs/dbraw/zinc/39/07/91/205390791.db2.gz WEFWYTBBZCBQDY-UHFFFAOYSA-N 0 0 369.424 4.535 50 0 FJAARN CC(C)c1ccc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)cc1 ZINC000067847415 205396390 /nfs/dbraw/zinc/39/63/90/205396390.db2.gz FJKJILFOHINERO-UHFFFAOYSA-N 0 0 364.420 4.803 50 0 FJAARN Cc1ccccc1Oc1ncccc1CNC(=O)c1ccc2ncccc2c1 ZINC000067846721 205396729 /nfs/dbraw/zinc/39/67/29/205396729.db2.gz BQAGEHLGUNPDSE-UHFFFAOYSA-N 0 0 369.424 4.661 50 0 FJAARN COc1ccc(CN(C)C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1F ZINC000044308465 211796986 /nfs/dbraw/zinc/79/69/86/211796986.db2.gz VITBCSFVLWEXNI-UHFFFAOYSA-N 0 0 369.396 4.517 50 0 FJAARN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccccc1F ZINC000070461139 205420291 /nfs/dbraw/zinc/42/02/91/205420291.db2.gz AHTMXOHGOOEHBO-LJQANCHMSA-N 0 0 355.796 4.813 50 0 FJAARN CCCc1nc(C)c(C(=O)Nc2ccnc(Sc3ccccn3)c2)s1 ZINC000071853300 205452085 /nfs/dbraw/zinc/45/20/85/205452085.db2.gz MHDXIYZIGRREAJ-UHFFFAOYSA-N 0 0 370.503 4.598 50 0 FJAARN CCSc1ccc(C(=O)c2ccccc2I)cc1 ZINC000043210162 211788166 /nfs/dbraw/zinc/78/81/66/211788166.db2.gz BUPXPVQKZSGEPD-UHFFFAOYSA-N 0 0 368.239 4.634 50 0 FJAARN Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1CCc1cccs1 ZINC000071971857 205458041 /nfs/dbraw/zinc/45/80/41/205458041.db2.gz MYKBTPQOFVZOKI-UHFFFAOYSA-N 0 0 366.515 4.990 50 0 FJAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cncc(Br)c1 ZINC000015982767 220174516 /nfs/dbraw/zinc/17/45/16/220174516.db2.gz OVDJYPLTRGPWHX-UHFFFAOYSA-N 0 0 365.230 4.668 50 0 FJAARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000015866705 220169516 /nfs/dbraw/zinc/16/95/16/220169516.db2.gz AEGUGKVKIAUVKB-INIZCTEOSA-N 0 0 353.484 4.502 50 0 FJAARN COc1ccc(-c2nc(/C=C/C(=O)NC3CCCCCC3)cs2)cc1 ZINC000016206446 220179365 /nfs/dbraw/zinc/17/93/65/220179365.db2.gz ZFBKCEIQFMWALF-JLHYYAGUSA-N 0 0 356.491 4.671 50 0 FJAARN COc1ccc(-c2nc(/C=C/C(=O)N[C@@H](C)c3ccccc3)cs2)cc1 ZINC000016705211 220192706 /nfs/dbraw/zinc/19/27/06/220192706.db2.gz HIJOBKSWLQKSEY-VOMSXAGXSA-N 0 0 364.470 4.709 50 0 FJAARN CCOc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000016969399 220198632 /nfs/dbraw/zinc/19/86/32/220198632.db2.gz ROVSLLMQUFFLAM-UHFFFAOYSA-N 0 0 369.424 4.948 50 0 FJAARN COc1cccc([C@H]2CCCN2C(=O)c2ccc3sc(C)nc3c2)c1 ZINC000077536877 205609559 /nfs/dbraw/zinc/60/95/59/205609559.db2.gz DRVKEBKQBHFRFV-GOSISDBHSA-N 0 0 352.459 4.591 50 0 FJAARN O=c1c(O)c(-c2ccc(N3CCCC3)c(O)c2)oc2c3ccccc3ccc12 ZINC000082155482 205646717 /nfs/dbraw/zinc/64/67/17/205646717.db2.gz FKXZGHWYWGMSSQ-UHFFFAOYSA-O 0 0 374.416 4.530 50 0 FJAARN Cn1c(C(=O)Nc2nc(-c3cccnc3)cs2)cc2cc(Cl)ccc21 ZINC000079490909 205637899 /nfs/dbraw/zinc/63/78/99/205637899.db2.gz KISMERUYCTXTRZ-UHFFFAOYSA-N 0 0 368.849 4.603 50 0 FJAARN O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000089768114 205667118 /nfs/dbraw/zinc/66/71/18/205667118.db2.gz HMQGYXWNCIAILB-TVQRCGJNSA-N 0 0 357.187 4.949 50 0 FJAARN COc1cc(Cl)ccc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000095381744 205745402 /nfs/dbraw/zinc/74/54/02/205745402.db2.gz MXECJIUWIJYAAC-UHFFFAOYSA-N 0 0 373.815 4.543 50 0 FJAARN Cc1ccc(-c2nc(CC(=O)O[C@@H](C)c3nc4ccccc4o3)cs2)o1 ZINC000095462436 205761018 /nfs/dbraw/zinc/76/10/18/205761018.db2.gz ADAGKHJNQBOUCG-LBPRGKRZSA-N 0 0 368.414 4.700 50 0 FJAARN C[C@@H](C(=O)Nc1cccc2c1ccn2C)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000095477461 205766167 /nfs/dbraw/zinc/76/61/67/205766167.db2.gz KIHKYUZMSJDMJW-VQIMIIECSA-N 0 0 374.484 4.832 50 0 FJAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000096222937 205856590 /nfs/dbraw/zinc/85/65/90/205856590.db2.gz BYBPXTXXDSGLSQ-NRFANRHFSA-N 0 0 357.457 4.776 50 0 FJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(F)c1F ZINC000096171009 205845205 /nfs/dbraw/zinc/84/52/05/205845205.db2.gz FVBNJLJXOPHVIR-UHFFFAOYSA-N 0 0 350.218 4.647 50 0 FJAARN CCOC(=O)C(C)=C(c1ccccc1NC(=O)OC(C)(C)C)C(F)(F)F ZINC000096171919 205845945 /nfs/dbraw/zinc/84/59/45/205845945.db2.gz STZLXOMEXRIOQD-KAMYIIQDSA-N 0 0 373.371 4.933 50 0 FJAARN Cc1ccc2c(COC(=O)/C=C\c3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000096488449 205876531 /nfs/dbraw/zinc/87/65/31/205876531.db2.gz LZFLGVTYZOWTOW-UITAMQMPSA-N 0 0 354.789 4.511 50 0 FJAARN CCCCCc1ccc(NC(=O)N2CCc3c(ncn3C3CC3)C2)cc1 ZINC000097141409 205899343 /nfs/dbraw/zinc/89/93/43/205899343.db2.gz OWYPHWQECRWGKY-UHFFFAOYSA-N 0 0 352.482 4.541 50 0 FJAARN Cc1cc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)c2cccc(Cl)c2n1 ZINC000097636576 205918801 /nfs/dbraw/zinc/91/88/01/205918801.db2.gz XWQQRDOHBHGVNM-INIZCTEOSA-N 0 0 372.896 4.618 50 0 FJAARN C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ncc(Cl)cc1Cl ZINC000097050203 205894487 /nfs/dbraw/zinc/89/44/87/205894487.db2.gz JTYSTZDVZNYJCH-SECBINFHSA-N 0 0 364.681 4.718 50 0 FJAARN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 ZINC000098212172 205936962 /nfs/dbraw/zinc/93/69/62/205936962.db2.gz OHQKGQRCDGGTKU-MRXNPFEDSA-N 0 0 371.799 4.506 50 0 FJAARN CCOc1ccccc1C[C@H]1c2cc(Br)ccc2N(CC)C1=O ZINC000101014585 205952259 /nfs/dbraw/zinc/95/22/59/205952259.db2.gz VSYPEIGYSBFMGN-INIZCTEOSA-N 0 0 374.278 4.541 50 0 FJAARN Cc1ccccc1Cc1nc(CN2CC[C@H](C)C[C@H]2c2ccco2)no1 ZINC000108354367 206030591 /nfs/dbraw/zinc/03/05/91/206030591.db2.gz DJRCRRYHZOIBJS-YJBOKZPZSA-N 0 0 351.450 4.535 50 0 FJAARN O=C(CCC(=O)c1ccc(Cl)s1)Nc1nc2ccccc2s1 ZINC000040020020 211713506 /nfs/dbraw/zinc/71/35/06/211713506.db2.gz VKGPRMPDPARSRE-UHFFFAOYSA-N 0 0 350.852 4.613 50 0 FJAARN CC(C)(C)c1ccc(Sc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000040024838 211713007 /nfs/dbraw/zinc/71/30/07/211713007.db2.gz GCPJPFZOWWKVIE-UHFFFAOYSA-N 0 0 352.385 4.592 50 0 FJAARN CCOc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000039319157 211705919 /nfs/dbraw/zinc/70/59/19/211705919.db2.gz ZSYJRRQUQLNWGN-UHFFFAOYSA-N 0 0 350.205 4.521 50 0 FJAARN CCC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000044105817 206063456 /nfs/dbraw/zinc/06/34/56/206063456.db2.gz MJFSEXROLGWXRK-ZDUSSCGKSA-N 0 0 351.406 4.664 50 0 FJAARN CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1C ZINC000044086672 206064665 /nfs/dbraw/zinc/06/46/65/206064665.db2.gz BMHHJNDWDXHEIX-UHFFFAOYSA-N 0 0 352.459 4.503 50 0 FJAARN O=C(Nc1nc(-c2cccnc2)cs1)c1csc(-c2ccccc2)n1 ZINC000044442657 206067268 /nfs/dbraw/zinc/06/72/68/206067268.db2.gz VGHWXOOHBYWOID-UHFFFAOYSA-N 0 0 364.455 4.581 50 0 FJAARN O=C(NCc1cccs1)NCc1cccc(Oc2ccc(F)cc2)c1 ZINC000044226313 206067677 /nfs/dbraw/zinc/06/76/77/206067677.db2.gz CDRWPQIJZLYHOV-UHFFFAOYSA-N 0 0 356.422 4.679 50 0 FJAARN Cc1nc2c(ccc3nc(NC(=O)NCc4cccs4)sc32)s1 ZINC000044224856 206068146 /nfs/dbraw/zinc/06/81/46/206068146.db2.gz VBSMDRFRERXJSX-UHFFFAOYSA-N 0 0 360.489 4.598 50 0 FJAARN O=C(/C=C/c1cccs1)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000044225020 206068212 /nfs/dbraw/zinc/06/82/12/206068212.db2.gz ASXGAVWCXPRANS-VAWYXSNFSA-N 0 0 365.502 4.728 50 0 FJAARN Cc1nc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cs1 ZINC000045103474 206078286 /nfs/dbraw/zinc/07/82/86/206078286.db2.gz UICJUCRPPGRGSR-UHFFFAOYSA-N 0 0 367.499 4.555 50 0 FJAARN COc1cccc(NC(=O)Nc2cc(-c3cn4ccccc4n3)ccc2C)c1 ZINC000048985606 206084178 /nfs/dbraw/zinc/08/41/78/206084178.db2.gz UGZNTRQRXOPMJT-UHFFFAOYSA-N 0 0 372.428 4.962 50 0 FJAARN O=C(CCSc1ccccc1)N1CCC(COCc2ccccc2)CC1 ZINC000049028651 206084419 /nfs/dbraw/zinc/08/44/19/206084419.db2.gz ZRWGZBICOBTYJZ-UHFFFAOYSA-N 0 0 369.530 4.624 50 0 FJAARN CC(C)Oc1ccc(C(=O)N(Cc2cccs2)Cc2cccn2C)cc1 ZINC000049026673 206084625 /nfs/dbraw/zinc/08/46/25/206084625.db2.gz OSIINHQESOFKBQ-UHFFFAOYSA-N 0 0 368.502 4.716 50 0 FJAARN O=C(CCSc1ccccc1)Nc1cccc2ccc(-n3ccnc3)nc21 ZINC000049028082 206085112 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/nfs/dbraw/zinc/88/80/55/570888055.db2.gz VXSATDCBOIVHQQ-QGZVFWFLSA-N 0 0 363.461 4.612 50 0 FJAARN c1ccc(Cc2nnc(SCc3ccccn3)n2-c2ccccc2)cc1 ZINC000012106034 570889504 /nfs/dbraw/zinc/88/95/04/570889504.db2.gz XAXSTQXKLOPKMZ-UHFFFAOYSA-N 0 0 358.470 4.545 50 0 FJAARN CCn1c2c(cccc2Cl)s/c1=N/C(=O)c1nc2ccccc2s1 ZINC000012180922 570890815 /nfs/dbraw/zinc/89/08/15/570890815.db2.gz VTWSOUYLZAQLJV-LVZFUZTISA-N 0 0 373.890 4.727 50 0 FJAARN Clc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000019537439 570892188 /nfs/dbraw/zinc/89/21/88/570892188.db2.gz DJYNFKKXAPSIKR-QPJJXVBHSA-N 0 0 361.316 4.824 50 0 FJAARN COc1ccc(CSc2ccc(Cl)cn2)c(Br)c1OC ZINC000195691328 570893328 /nfs/dbraw/zinc/89/33/28/570893328.db2.gz LWJXPIKPAZBUQZ-UHFFFAOYSA-N 0 0 374.687 4.807 50 0 FJAARN COc1ccc(CCC(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000211079782 570894310 /nfs/dbraw/zinc/89/43/10/570894310.db2.gz NPBKOQHZKKJLBG-IBGZPJMESA-N 0 0 355.453 4.563 50 0 FJAARN Cc1cc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)n[nH]1 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CCc1ccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)cc1 ZINC000019927337 570906823 /nfs/dbraw/zinc/90/68/23/570906823.db2.gz BDCYXMQEVJFFGK-QGZVFWFLSA-N 0 0 362.292 4.790 50 0 FJAARN COc1ccc(CN2C(=O)CS[C@@H]2c2cccc(Cl)c2Cl)cc1 ZINC000019927140 570906845 /nfs/dbraw/zinc/90/68/45/570906845.db2.gz VKNGQFXBTAEBBX-QGZVFWFLSA-N 0 0 368.285 4.776 50 0 FJAARN CCCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1 ZINC000045901200 570914398 /nfs/dbraw/zinc/91/43/98/570914398.db2.gz LRFFHYQVLKWUEH-UHFFFAOYSA-N 0 0 359.788 4.733 50 0 FJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000045941301 570915569 /nfs/dbraw/zinc/91/55/69/570915569.db2.gz GUKPABHNZLAHJQ-JOCHJYFZSA-N 0 0 371.436 4.748 50 0 FJAARN Cc1ccc(C(=O)c2cccc(NC(=O)COc3ccccc3C)c2)cc1C ZINC000020419018 570915716 /nfs/dbraw/zinc/91/57/16/570915716.db2.gz KNLPGAJXFSAOLE-UHFFFAOYSA-N 0 0 373.452 4.860 50 0 FJAARN O=C(Nc1ccc(F)cc1Br)c1cccc(C(F)(F)F)c1 ZINC000020430148 570916154 /nfs/dbraw/zinc/91/61/54/570916154.db2.gz ALTLTRAYHSENHT-UHFFFAOYSA-N 0 0 362.120 4.859 50 0 FJAARN Cc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000045943190 570916445 /nfs/dbraw/zinc/91/64/45/570916445.db2.gz DCORLIUDOXRBOR-UHFFFAOYSA-N 0 0 372.877 4.712 50 0 FJAARN Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000045943343 570916573 /nfs/dbraw/zinc/91/65/73/570916573.db2.gz OXFBWOFGGIZFCN-UHFFFAOYSA-N 0 0 352.459 4.998 50 0 FJAARN CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1c(C)cccc1C ZINC000045967435 570917942 /nfs/dbraw/zinc/91/79/42/570917942.db2.gz VKQRTMWHWCJNGX-UHFFFAOYSA-N 0 0 363.461 4.905 50 0 FJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000020551122 570919877 /nfs/dbraw/zinc/91/98/77/570919877.db2.gz NLGMFPMJFQXPDY-MRXNPFEDSA-N 0 0 361.441 4.862 50 0 FJAARN Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C(C)C)c3n2)cc1 ZINC000020615137 570921799 /nfs/dbraw/zinc/92/17/99/570921799.db2.gz USNLTORJJSIZCF-UHFFFAOYSA-N 0 0 361.417 4.948 50 0 FJAARN CC(C)n1cc(CN2CCc3onc(-c4cccc5ccccc54)c3C2)cn1 ZINC000020780537 570925012 /nfs/dbraw/zinc/92/50/12/570925012.db2.gz QLGVFNSZOZZEAW-UHFFFAOYSA-N 0 0 372.472 4.831 50 0 FJAARN Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078396 570925598 /nfs/dbraw/zinc/92/55/98/570925598.db2.gz RPUAJUVZIGFQAL-UHFFFAOYSA-N 0 0 370.452 4.840 50 0 FJAARN Cc1nc2ccc3nc(NC(=O)Cc4ccc(C)cc4)sc3c2s1 ZINC000010696702 570926619 /nfs/dbraw/zinc/92/66/19/570926619.db2.gz BYXJUBZVMJLCEQ-UHFFFAOYSA-N 0 0 353.472 4.704 50 0 FJAARN Cc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1C ZINC000020897457 570926667 /nfs/dbraw/zinc/92/66/67/570926667.db2.gz CBXKUJJMUNYRGL-HNNXBMFYSA-N 0 0 372.534 4.928 50 0 FJAARN Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000020897394 570926671 /nfs/dbraw/zinc/92/66/71/570926671.db2.gz OLVOLQGYVPJEOQ-AWEZNQCLSA-N 0 0 358.507 4.620 50 0 FJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 ZINC000020896750 570926675 /nfs/dbraw/zinc/92/66/75/570926675.db2.gz WJHDZWLRYCWZRZ-UHFFFAOYSA-N 0 0 356.809 4.954 50 0 FJAARN COc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)sc2C)cc1 ZINC000072029780 570928407 /nfs/dbraw/zinc/92/84/07/570928407.db2.gz DOTIGXMPJLLKAM-ZWKOTPCHSA-N 0 0 364.470 4.869 50 0 FJAARN CCc1ccc(-c2nc(CSc3nnc4ccccn43)cs2)cc1 ZINC000021258111 570929495 /nfs/dbraw/zinc/92/94/95/570929495.db2.gz ZPWXJYMGIUUDGZ-UHFFFAOYSA-N 0 0 352.488 4.708 50 0 FJAARN COc1c(Cl)ccnc1CSc1nc2cc(OC(F)F)ccc2[nH]1 ZINC000021302735 570929507 /nfs/dbraw/zinc/92/95/07/570929507.db2.gz SEHIARBDRGKABK-UHFFFAOYSA-N 0 0 371.796 4.514 50 0 FJAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)no1 ZINC000021718964 570933429 /nfs/dbraw/zinc/93/34/29/570933429.db2.gz OMMBREBEFPJIDZ-QGZVFWFLSA-N 0 0 357.454 4.811 50 0 FJAARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C=C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004666782 570933466 /nfs/dbraw/zinc/93/34/66/570933466.db2.gz KHEZIAQMLFFOSK-JCZUWBLBSA-N 0 0 358.522 4.942 50 0 FJAARN Cc1ccccc1-c1noc([C@H](C)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1 ZINC000120525623 570934042 /nfs/dbraw/zinc/93/40/42/570934042.db2.gz RWXDUVVULURVFQ-MPGHIAIKSA-N 0 0 369.490 4.630 50 0 FJAARN Cc1cccc(C)c1NC(=O)C1=Cc2cc(Br)ccc2OC=C1 ZINC000021797837 570934395 /nfs/dbraw/zinc/93/43/95/570934395.db2.gz JMECBXYNXDQARC-UHFFFAOYSA-N 0 0 370.246 4.994 50 0 FJAARN COc1cc(OC)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000021843928 570935397 /nfs/dbraw/zinc/93/53/97/570935397.db2.gz HGPZKAOZBARZNE-UHFFFAOYSA-N 0 0 373.758 4.557 50 0 FJAARN Oc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c(O)c1 ZINC000021908660 570935667 /nfs/dbraw/zinc/93/56/67/570935667.db2.gz OTARTIYDWHUCLK-UHFFFAOYSA-N 0 0 352.337 4.984 50 0 FJAARN C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1cccc(Cl)c1 ZINC000021911490 570935931 /nfs/dbraw/zinc/93/59/31/570935931.db2.gz CKQDZOUGZAUWCE-GFCCVEGCSA-N 0 0 357.866 4.679 50 0 FJAARN CCCCOc1ccc2cc(C(=O)N3CCC[C@H]3c3ccncc3)[nH]c2c1 ZINC000048196350 570936117 /nfs/dbraw/zinc/93/61/17/570936117.db2.gz CAZBWUSTBJKGHG-NRFANRHFSA-N 0 0 363.461 4.719 50 0 FJAARN Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2cnn(C(C)C)c2n1 ZINC000010808920 570936911 /nfs/dbraw/zinc/93/69/11/570936911.db2.gz MIIJCHNDGMUCKI-UHFFFAOYSA-N 0 0 363.248 4.880 50 0 FJAARN CSc1nccn1-c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000048249499 570937929 /nfs/dbraw/zinc/93/79/29/570937929.db2.gz AZZAVIDXUPDSRO-KRWDZBQOSA-N 0 0 369.515 4.633 50 0 FJAARN Cc1nc2cc(NC(=O)c3cc4c(C)nn(CC(C)C)c4s3)ccc2o1 ZINC000048231591 570938688 /nfs/dbraw/zinc/93/86/88/570938688.db2.gz FWCPNHOYPPUFIO-UHFFFAOYSA-N 0 0 368.462 4.764 50 0 FJAARN CSc1nccn1-c1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000048261352 570939130 /nfs/dbraw/zinc/93/91/30/570939130.db2.gz UTDJXGTYSFPSBR-KRWDZBQOSA-N 0 0 369.515 4.633 50 0 FJAARN Cc1c(C(=O)Nc2cc(C(C)(C)C)ccc2O)oc2c1C(=O)CC(C)(C)C2 ZINC000048252845 570940051 /nfs/dbraw/zinc/94/00/51/570940051.db2.gz FZDFXVBNIQCRKY-UHFFFAOYSA-N 0 0 369.461 4.999 50 0 FJAARN O=C(CCc1ccco1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022197283 570940955 /nfs/dbraw/zinc/94/09/55/570940955.db2.gz JCSZKTZUZYZXMA-UHFFFAOYSA-N 0 0 374.234 4.551 50 0 FJAARN COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)c1OC(F)F ZINC000022328702 570942600 /nfs/dbraw/zinc/94/26/00/570942600.db2.gz IEIYOYYQCDCJOW-UJGDBWEASA-N 0 0 373.399 4.674 50 0 FJAARN CC(C)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 ZINC000051364433 570943337 /nfs/dbraw/zinc/94/33/37/570943337.db2.gz VZJQKODQODSEFS-HXUWFJFHSA-N 0 0 372.468 4.969 50 0 FJAARN O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000022408866 570943381 /nfs/dbraw/zinc/94/33/81/570943381.db2.gz YDPXIUMQRAYBHB-KOLCDFICSA-N 0 0 370.198 4.610 50 0 FJAARN CC(C)(C)[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1cccs1 ZINC000048311919 570944099 /nfs/dbraw/zinc/94/40/99/570944099.db2.gz HHSDMBKIZHUMTA-MRXNPFEDSA-N 0 0 373.478 4.614 50 0 FJAARN COC(=O)C1(NC(=O)c2oc3c(ccc4ccccc34)c2C)CCCCC1 ZINC000022503763 570944474 /nfs/dbraw/zinc/94/44/74/570944474.db2.gz KOHCPVDRHLUSOI-UHFFFAOYSA-N 0 0 365.429 4.500 50 0 FJAARN c1csc(-c2nc(CSc3nnc(Cc4ccccc4)o3)co2)c1 ZINC000022513811 570945152 /nfs/dbraw/zinc/94/51/52/570945152.db2.gz UCANUALKEWGGLQ-UHFFFAOYSA-N 0 0 355.444 4.669 50 0 FJAARN CCc1cccc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)c1 ZINC000032947655 570949631 /nfs/dbraw/zinc/94/96/31/570949631.db2.gz OYCZUBNCAZDVHY-UHFFFAOYSA-N 0 0 357.866 4.916 50 0 FJAARN Cc1ccc(C(=O)c2sc(Nc3c(C)cccc3C)nc2N)c(C)c1 ZINC000032947752 570950245 /nfs/dbraw/zinc/95/02/45/570950245.db2.gz CZLMDWAHSDVYOP-UHFFFAOYSA-N 0 0 351.475 4.934 50 0 FJAARN Cc1cccc(C)c1NC(=O)CSCc1ccccc1Br ZINC000022830838 570950767 /nfs/dbraw/zinc/95/07/67/570950767.db2.gz YNDBWOHCSAXUDJ-UHFFFAOYSA-N 0 0 364.308 4.938 50 0 FJAARN Cc1cc(C)c(C(=O)c2sc(Nc3cccc(F)c3)nc2N)cc1C ZINC000032947872 570950627 /nfs/dbraw/zinc/95/06/27/570950627.db2.gz URZFLJDQOAXAOK-UHFFFAOYSA-N 0 0 355.438 4.764 50 0 FJAARN Cc1ccc(C(=O)c2sc(Nc3cc(C)cc(C)c3)nc2N)c(C)c1 ZINC000032947819 570950838 /nfs/dbraw/zinc/95/08/38/570950838.db2.gz KNTBNPJGFSZOIG-UHFFFAOYSA-N 0 0 351.475 4.934 50 0 FJAARN CCc1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 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C[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccc(Cl)c1 ZINC000024107415 570971900 /nfs/dbraw/zinc/97/19/00/570971900.db2.gz FBIWFLGQTBGODW-LBPRGKRZSA-N 0 0 360.244 4.712 50 0 FJAARN CC[C@@H](C)C(=O)OCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 ZINC000024132817 570972036 /nfs/dbraw/zinc/97/20/36/570972036.db2.gz IFRGEXIFEFPNPG-CYBMUJFWSA-N 0 0 374.506 4.842 50 0 FJAARN COc1ccccc1CCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000024348585 570974470 /nfs/dbraw/zinc/97/44/70/570974470.db2.gz DFJZISXCTILEAS-UHFFFAOYSA-N 0 0 371.440 4.605 50 0 FJAARN O=C(c1ccc(F)cc1F)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024383762 570975246 /nfs/dbraw/zinc/97/52/46/570975246.db2.gz IQEABOXVRDKEDH-MRXNPFEDSA-N 0 0 358.413 4.942 50 0 FJAARN COc1cccc2sc(NC(=O)Cc3cccc(C(F)(F)F)c3)nc21 ZINC000024552255 570977624 /nfs/dbraw/zinc/97/76/24/570977624.db2.gz WYSLTDYBCYONEM-UHFFFAOYSA-N 0 0 366.364 4.505 50 0 FJAARN CCCC[C@@H](CC)CNC(=S)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000024771791 570982180 /nfs/dbraw/zinc/98/21/80/570982180.db2.gz 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C[C@H](C1CC1)N(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000025512738 570996521 /nfs/dbraw/zinc/99/65/21/570996521.db2.gz VKRHNSAUCCOQBJ-CYBMUJFWSA-N 0 0 369.852 4.656 50 0 FJAARN COc1cccc2c1O[C@H](C(C)C)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000025581533 570997798 /nfs/dbraw/zinc/99/77/98/570997798.db2.gz XVUKEUKQVQDVTF-YLJYHZDGSA-N 0 0 356.853 4.874 50 0 FJAARN C[C@H](c1ccccc1)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 ZINC000025616331 570998077 /nfs/dbraw/zinc/99/80/77/570998077.db2.gz IPBZCAPJFNKUGJ-CQSZACIVSA-N 0 0 370.399 4.772 50 0 FJAARN CSCc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000010996542 570998847 /nfs/dbraw/zinc/99/88/47/570998847.db2.gz XOQVAUGQVWDWBP-UHFFFAOYSA-N 0 0 351.471 4.512 50 0 FJAARN O=C(Nc1nc2c(s1)CCC2)c1ccc2noc(-c3ccccc3)c2c1 ZINC000025768558 571000194 /nfs/dbraw/zinc/00/01/94/571000194.db2.gz IDYMMPXTQBLGRG-UHFFFAOYSA-N 0 0 361.426 4.692 50 0 FJAARN COc1ccc2nc(C)c(C(=O)N(C)[C@H]3CCCc4ccccc43)cc2c1 ZINC000025804835 571000655 /nfs/dbraw/zinc/00/06/55/571000655.db2.gz 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ZINC000027544519 571013655 /nfs/dbraw/zinc/01/36/55/571013655.db2.gz HTNXGTZOUVZNMP-OAHLLOKOSA-N 0 0 373.481 4.753 50 0 FJAARN CCOc1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 ZINC000027580258 571013991 /nfs/dbraw/zinc/01/39/91/571013991.db2.gz SLKAIHBLPDDXON-UHFFFAOYSA-N 0 0 366.848 4.981 50 0 FJAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1 ZINC000027580060 571014115 /nfs/dbraw/zinc/01/41/15/571014115.db2.gz FAEVQGDIPCPKMA-UHFFFAOYSA-N 0 0 356.809 4.954 50 0 FJAARN COc1c(Cl)cc(C(=O)Nc2cc(-c3ccccc3)no2)cc1Cl ZINC000027664399 571018660 /nfs/dbraw/zinc/01/86/60/571018660.db2.gz APYCCUZHBXOBQO-UHFFFAOYSA-N 0 0 363.200 4.909 50 0 FJAARN Cc1ccc(OCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 ZINC000027795313 571021705 /nfs/dbraw/zinc/02/17/05/571021705.db2.gz FUDODVKZSRJVSD-UHFFFAOYSA-N 0 0 355.821 4.854 50 0 FJAARN Cc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)C)cc3)n2)cc1 ZINC000027795630 571021792 /nfs/dbraw/zinc/02/17/92/571021792.db2.gz DTAADILKVYJIEG-UHFFFAOYSA-N 0 0 367.474 4.654 50 0 FJAARN CCOc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000027992273 571025454 /nfs/dbraw/zinc/02/54/54/571025454.db2.gz OPFIDUHPVKKHHW-UHFFFAOYSA-N 0 0 359.838 4.510 50 0 FJAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1(C)C ZINC000072272858 571028008 /nfs/dbraw/zinc/02/80/08/571028008.db2.gz VBLZVNNAKXXYRG-RBUKOAKNSA-N 0 0 373.924 5.000 50 0 FJAARN CCCOc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000028231861 571028415 /nfs/dbraw/zinc/02/84/15/571028415.db2.gz YSVDKDOAROWZCH-UHFFFAOYSA-N 0 0 355.459 4.973 50 0 FJAARN CCc1ccc(CN(C(=O)COc2cccc(C)c2)c2ccccn2)cc1 ZINC000028288254 571029203 /nfs/dbraw/zinc/02/92/03/571029203.db2.gz OOAUKLKKZTUXNL-UHFFFAOYSA-N 0 0 360.457 4.565 50 0 FJAARN O=C(Oc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000028290508 571030098 /nfs/dbraw/zinc/03/00/98/571030098.db2.gz DTHOLRGGBJGRRJ-UHFFFAOYSA-N 0 0 374.824 4.781 50 0 FJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N(Cc1cccnc1)C1CC1 ZINC000028516685 571032964 /nfs/dbraw/zinc/03/29/64/571032964.db2.gz CZNDFFJCMXGWGP-UHFFFAOYSA-N 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571056377 /nfs/dbraw/zinc/05/63/77/571056377.db2.gz ASDDZKNGQMDDPD-UHFFFAOYSA-N 0 0 372.268 4.964 50 0 FJAARN CCN(C(=O)[C@H](C)Sc1nccn1-c1cccc(F)c1)c1ccccc1 ZINC000012732985 571057045 /nfs/dbraw/zinc/05/70/45/571057045.db2.gz XBVKIDZRRPXAOX-HNNXBMFYSA-N 0 0 369.465 4.545 50 0 FJAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCCC2)cc1 ZINC000008734627 571058733 /nfs/dbraw/zinc/05/87/33/571058733.db2.gz RQYUURJTGANPKM-UHFFFAOYSA-N 0 0 366.436 4.538 50 0 FJAARN O=C(CNc1ccccc1Oc1ccccc1)Nc1c(F)cccc1F ZINC000008747349 571059096 /nfs/dbraw/zinc/05/90/96/571059096.db2.gz BMTNBRNWAVNQCD-UHFFFAOYSA-N 0 0 354.356 4.808 50 0 FJAARN C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccccc1OC(F)F ZINC000008748138 571059385 /nfs/dbraw/zinc/05/93/85/571059385.db2.gz NBZSCLFXQNBABP-SNVBAGLBSA-N 0 0 364.373 4.549 50 0 FJAARN O=C(NCc1coc(-c2cccs2)n1)c1ccccc1Cc1ccccc1 ZINC000008753986 571059670 /nfs/dbraw/zinc/05/96/70/571059670.db2.gz BPMAYLKLBNYUQE-UHFFFAOYSA-N 0 0 374.465 4.924 50 0 FJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C(C)C)c(C)c2)cc1 ZINC000012737788 571059698 /nfs/dbraw/zinc/05/96/98/571059698.db2.gz HIGGHCLTASEYAK-QFIPXVFZSA-N 0 0 367.489 4.870 50 0 FJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000008753459 571059855 /nfs/dbraw/zinc/05/98/55/571059855.db2.gz TZQVFIOUIFCLJT-LBPRGKRZSA-N 0 0 365.401 4.610 50 0 FJAARN CC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(C(C)C)cc3)cc2s1 ZINC000032959554 571060118 /nfs/dbraw/zinc/06/01/18/571060118.db2.gz YVAPWOWJNSSCCL-UHFFFAOYSA-N 0 0 367.474 4.559 50 0 FJAARN Cc1ccccc1-c1cc(C(=O)NC2CCCC2)c2cnn(C(C)C)c2n1 ZINC000008756354 571060318 /nfs/dbraw/zinc/06/03/18/571060318.db2.gz MIRJAFBYUVZGML-UHFFFAOYSA-N 0 0 362.477 4.660 50 0 FJAARN COc1ccc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c2ccccc12 ZINC000083937432 571060930 /nfs/dbraw/zinc/06/09/30/571060930.db2.gz VXARLCWIAOFECJ-LJQANCHMSA-N 0 0 365.404 4.631 50 0 FJAARN COc1ccc(NC(=O)C2CCCCC2)cc1NC(=O)c1ccccc1C ZINC000032998365 571061031 /nfs/dbraw/zinc/06/10/31/571061031.db2.gz 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0 0 373.286 4.630 50 0 FJAARN Cc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3C)n2)cc1C ZINC000015829389 571130323 /nfs/dbraw/zinc/13/03/23/571130323.db2.gz JLFUNIHRVSWMSP-UHFFFAOYSA-N 0 0 363.486 4.800 50 0 FJAARN CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(C(C)(C)C)cc3)cnc21 ZINC000012866280 571130484 /nfs/dbraw/zinc/13/04/84/571130484.db2.gz MFAVOTJVZXMMPK-UHFFFAOYSA-N 0 0 364.493 4.582 50 0 FJAARN O=C(COc1ccccc1)N[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000012865735 571130497 /nfs/dbraw/zinc/13/04/97/571130497.db2.gz YNUXEPWVPQMDBT-JOCHJYFZSA-N 0 0 363.482 4.521 50 0 FJAARN COC(=O)[C@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)c1ccc(OC)cc1CC3 ZINC000252010174 571130578 /nfs/dbraw/zinc/13/05/78/571130578.db2.gz RNRKTXDFRAAFBK-HCVAFPHWSA-N 0 0 352.474 4.951 50 0 FJAARN Cc1ccc(OCCN(C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000058291411 571130689 /nfs/dbraw/zinc/13/06/89/571130689.db2.gz VYOLLMZCWZOMPP-HNNXBMFYSA-N 0 0 371.868 4.770 50 0 FJAARN Cc1cccc(OCCN(C)[C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000058290661 571130704 /nfs/dbraw/zinc/13/07/04/571130704.db2.gz PLUGFASOYPNRBM-HNNXBMFYSA-N 0 0 371.868 4.770 50 0 FJAARN Cc1ccc(NC(=O)OCc2ccco2)cc1NC(=O)OCc1ccco1 ZINC000000640745 571130745 /nfs/dbraw/zinc/13/07/45/571130745.db2.gz UOHWXAZJICSLOM-UHFFFAOYSA-N 0 0 370.361 4.678 50 0 FJAARN Cc1ccc(CN(C)Cn2nc(Nc3ccc(F)cc3)sc2=S)cc1 ZINC000012868383 571130850 /nfs/dbraw/zinc/13/08/50/571130850.db2.gz KKQINQBFJYFGAL-UHFFFAOYSA-N 0 0 374.510 4.955 50 0 FJAARN CCc1ccc(OCC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000012870103 571131206 /nfs/dbraw/zinc/13/12/06/571131206.db2.gz BCWQXPJEIKQFIN-NRFANRHFSA-N 0 0 351.471 4.595 50 0 FJAARN Cc1ccc(Nc2nnc(SCc3nnc(C(C)(C)C)o3)s2)cc1 ZINC000058358233 571131242 /nfs/dbraw/zinc/13/12/42/571131242.db2.gz HFVWEOWTCPQHFF-UHFFFAOYSA-N 0 0 361.496 4.563 50 0 FJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1sccc1Br ZINC000004542016 571131391 /nfs/dbraw/zinc/13/13/91/571131391.db2.gz BGYKBOLQVMFPCN-UHFFFAOYSA-N 0 0 350.159 4.782 50 0 FJAARN Cc1cc(=O)oc2cc(OC(=O)Nc3cccc(C(F)(F)F)c3)ccc12 ZINC000004760274 571131680 /nfs/dbraw/zinc/13/16/80/571131680.db2.gz LDYLZQTXRIMBGU-UHFFFAOYSA-N 0 0 363.291 4.731 50 0 FJAARN Cc1cc(Cl)ccc1NC(=O)CCc1ccccc1Br ZINC000004542943 571131714 /nfs/dbraw/zinc/13/17/14/571131714.db2.gz XWPKRVBSWYEXFL-UHFFFAOYSA-N 0 0 352.659 4.982 50 0 FJAARN C[C@@H](OC(=O)c1cn(C)c2ccccc12)c1nc2ccccc2n1C(F)F ZINC000058392046 571131947 /nfs/dbraw/zinc/13/19/47/571131947.db2.gz OKLQLDWODNYZTE-GFCCVEGCSA-N 0 0 369.371 4.841 50 0 FJAARN Cc1nc2ccc(NC(=O)[C@H](C)Oc3cccc(C(C)(C)C)c3)cc2o1 ZINC000058394134 571132003 /nfs/dbraw/zinc/13/20/03/571132003.db2.gz YTEVDXYOMGKVRO-ZDUSSCGKSA-N 0 0 352.434 4.840 50 0 FJAARN CSc1cccc(NC(=O)N(Cc2cccc(C)c2)C[C@@H]2CCCO2)c1 ZINC000252486855 571132713 /nfs/dbraw/zinc/13/27/13/571132713.db2.gz HPKOAZNHYPYIET-IBGZPJMESA-N 0 0 370.518 4.930 50 0 FJAARN CCc1ccc([C@H](C)Nc2ccc3nnc(-c4ccccc4F)n3n2)cc1 ZINC000058427859 571132896 /nfs/dbraw/zinc/13/28/96/571132896.db2.gz HKSCOGGETRVWIE-AWEZNQCLSA-N 0 0 361.424 4.666 50 0 FJAARN Cc1noc(C)c1[C@H](C)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000058427551 571132953 /nfs/dbraw/zinc/13/29/53/571132953.db2.gz GIBRLBXWWHDDIE-AWEZNQCLSA-N 0 0 350.418 4.850 50 0 FJAARN CN(Cc1nc2ccccc2s1)Cc1ccc(OC(F)(F)F)cc1 ZINC000058626126 571133333 /nfs/dbraw/zinc/13/33/33/571133333.db2.gz DIJXQJDCNINMDP-UHFFFAOYSA-N 0 0 352.381 4.827 50 0 FJAARN O=c1c2sc(-c3ccccc3)cc2nc2n1-c1cc(Cl)ccc1OC2 ZINC000045068557 571133383 /nfs/dbraw/zinc/13/33/83/571133383.db2.gz IDFQGTCSMOTDFT-UHFFFAOYSA-N 0 0 366.829 4.660 50 0 FJAARN CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012871670 571135009 /nfs/dbraw/zinc/13/50/09/571135009.db2.gz FJMJFBZBZAITBQ-UHFFFAOYSA-N 0 0 364.449 4.541 50 0 FJAARN C[C@H](OCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000012872238 571135022 /nfs/dbraw/zinc/13/50/22/571135022.db2.gz OPRQYWWPODCXNZ-ZDUSSCGKSA-N 0 0 352.261 4.891 50 0 FJAARN CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)O)[C@]4(C)CC[C@@H]32)C1 ZINC000257356888 571135898 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374.521 4.670 50 0 FJAARN CCCc1cc([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000015866686 571139872 /nfs/dbraw/zinc/13/98/72/571139872.db2.gz CXTWGCDMJHJHCX-MRXNPFEDSA-N 0 0 352.356 4.623 50 0 FJAARN CC(C)n1cc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)cn1 ZINC000063833949 571140241 /nfs/dbraw/zinc/14/02/41/571140241.db2.gz URLJVQXHGRNCPP-INIZCTEOSA-N 0 0 362.477 4.694 50 0 FJAARN Cc1ccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)C)c3)nc2c1C ZINC000063835270 571140243 /nfs/dbraw/zinc/14/02/43/571140243.db2.gz WYJQMWYFKZMPOM-UHFFFAOYSA-N 0 0 364.493 4.776 50 0 FJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(C)=O)cc1 ZINC000000953631 571140630 /nfs/dbraw/zinc/14/06/30/571140630.db2.gz OAJBHLHKVONAMP-UHFFFAOYSA-N 0 0 362.429 4.975 50 0 FJAARN Cc1cc(C)cc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)c1 ZINC000064893988 571141199 /nfs/dbraw/zinc/14/11/99/571141199.db2.gz CBPNDICUDQUUPV-UHFFFAOYSA-N 0 0 372.424 4.512 50 0 FJAARN Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)nc(C(C)C)n1 ZINC000078404387 571141244 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ZINC000001000833 571142644 /nfs/dbraw/zinc/14/26/44/571142644.db2.gz AFNXNQBWKTYGQT-UHFFFAOYSA-N 0 0 353.853 4.961 50 0 FJAARN CC(C)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000012898110 571142744 /nfs/dbraw/zinc/14/27/44/571142744.db2.gz YTJHXPXAEIBTPK-UHFFFAOYSA-N 0 0 359.853 4.806 50 0 FJAARN COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)c1 ZINC000001006688 571142773 /nfs/dbraw/zinc/14/27/73/571142773.db2.gz DQAGVRZOOUPNPV-UHFFFAOYSA-N 0 0 360.413 4.508 50 0 FJAARN CC(=O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3s2)cc1 ZINC000001004312 571143010 /nfs/dbraw/zinc/14/30/10/571143010.db2.gz UGXFQEUACCBNIG-UHFFFAOYSA-N 0 0 359.454 4.911 50 0 FJAARN O=C(Cc1csc(-c2ccco2)n1)Nc1cc(Cl)ccc1Cl ZINC000012899881 571143148 /nfs/dbraw/zinc/14/31/48/571143148.db2.gz HRUXDGXQGKOUJM-UHFFFAOYSA-N 0 0 353.230 4.891 50 0 FJAARN CCCc1c(-c2ccccc2)ncn1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065408652 571143144 /nfs/dbraw/zinc/14/31/44/571143144.db2.gz LIXBEEFRXWWSFR-UHFFFAOYSA-N 0 0 373.500 4.787 50 0 FJAARN C[C@@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 ZINC000065420659 571143285 /nfs/dbraw/zinc/14/32/85/571143285.db2.gz FYJVNPXUGYWBSX-INIZCTEOSA-N 0 0 368.477 4.805 50 0 FJAARN C[C@H](CCCC(C)(C)O)n1cnc(-c2ccccc2)c1-c1ccc(CO)o1 ZINC000065420662 571143556 /nfs/dbraw/zinc/14/35/56/571143556.db2.gz FYJVNPXUGYWBSX-MRXNPFEDSA-N 0 0 368.477 4.805 50 0 FJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ccccc1 ZINC000012908289 571143828 /nfs/dbraw/zinc/14/38/28/571143828.db2.gz TUYZLZUSJTWSIA-HNNXBMFYSA-N 0 0 356.274 4.519 50 0 FJAARN CCC(=O)Nc1cc(Cl)ccc1C(=O)N(Cc1ccsc1)C1CC1 ZINC000065497473 571144203 /nfs/dbraw/zinc/14/42/03/571144203.db2.gz HAKJHICYXCFGKH-UHFFFAOYSA-N 0 0 362.882 4.555 50 0 FJAARN CCc1ccccc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000012915081 571144398 /nfs/dbraw/zinc/14/43/98/571144398.db2.gz OIDKLCKFUPSNGQ-UHFFFAOYSA-N 0 0 366.486 4.774 50 0 FJAARN O=c1oc2cc(OCc3ccc(F)cc3F)ccc2cc1-c1ccccn1 ZINC000001094871 571146200 /nfs/dbraw/zinc/14/62/00/571146200.db2.gz MDIXPAFNENGCCO-UHFFFAOYSA-N 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364.276 4.947 50 0 FJAARN O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000002954947 570545173 /nfs/dbraw/zinc/54/51/73/570545173.db2.gz BNCYTSKTPIUHFK-UHFFFAOYSA-N 0 0 350.805 4.845 50 0 FJAARN CCOc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Cl ZINC000002970492 570545538 /nfs/dbraw/zinc/54/55/38/570545538.db2.gz FUTWZFNIZWVWAX-UHFFFAOYSA-N 0 0 359.731 4.890 50 0 FJAARN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccncc1Cl ZINC000073049623 570546070 /nfs/dbraw/zinc/54/60/70/570546070.db2.gz AJTSNADDUZRRDV-NSHDSACASA-N 0 0 357.866 4.658 50 0 FJAARN COc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1 ZINC000002982441 570546593 /nfs/dbraw/zinc/54/65/93/570546593.db2.gz XOURLEHGQXOUQS-UHFFFAOYSA-N 0 0 350.399 4.817 50 0 FJAARN COc1cccc(OC)c1OCCCOc1ccc(Cl)cc1Cl ZINC000002983892 570547015 /nfs/dbraw/zinc/54/70/15/570547015.db2.gz CJVAYPAHUZSWEV-UHFFFAOYSA-N 0 0 357.233 4.859 50 0 FJAARN CCOc1cccc(OCCCOc2ccccc2Br)c1 ZINC000002984008 570547080 /nfs/dbraw/zinc/54/70/80/570547080.db2.gz KASSYVAJPPRMFY-UHFFFAOYSA-N 0 0 351.240 4.696 50 0 FJAARN CCOc1ccc(OCCCOc2cccc(Br)c2)cc1 ZINC000002983875 570547092 /nfs/dbraw/zinc/54/70/92/570547092.db2.gz SCSVMXQKULDIOW-UHFFFAOYSA-N 0 0 351.240 4.696 50 0 FJAARN CCc1cc(OCCCCOc2ccc(C=O)cc2OC)ccc1Cl ZINC000002983564 570547100 /nfs/dbraw/zinc/54/71/00/570547100.db2.gz LNYLDYVRZBFPHO-UHFFFAOYSA-N 0 0 362.853 4.962 50 0 FJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000002983578 570547111 /nfs/dbraw/zinc/54/71/11/570547111.db2.gz NIBDGGKHMSDTAA-UHFFFAOYSA-N 0 0 362.882 4.646 50 0 FJAARN C/C=C/c1ccc(OCCOCCOc2ccc(C)cc2C)c(OC)c1 ZINC000002985314 570547359 /nfs/dbraw/zinc/54/73/59/570547359.db2.gz LBXNLJYYHFRZQQ-AATRIKPKSA-N 0 0 356.462 4.820 50 0 FJAARN O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc(Cl)cc1 ZINC000002995758 570548360 /nfs/dbraw/zinc/54/83/60/570548360.db2.gz YUYSGPWWWDDSGN-UHFFFAOYSA-N 0 0 352.846 4.827 50 0 FJAARN CCn1c2ccccc2nc1SCCn1c2ccccc2n(C)c1=S ZINC000002995728 570548381 /nfs/dbraw/zinc/54/83/81/570548381.db2.gz SMIBCEHVULCRGB-UHFFFAOYSA-N 0 0 368.531 4.871 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354.431 4.739 50 0 FJAARN COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 ZINC000004848493 570550773 /nfs/dbraw/zinc/55/07/73/570550773.db2.gz IBMAQGYWPVUCKT-UHFFFAOYSA-N 0 0 372.421 4.527 50 0 FJAARN CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000004854200 570551374 /nfs/dbraw/zinc/55/13/74/570551374.db2.gz KLXDHGIOXYWTAQ-NRFANRHFSA-N 0 0 361.445 4.524 50 0 FJAARN O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1ccccc1F ZINC000004854319 570551411 /nfs/dbraw/zinc/55/14/11/570551411.db2.gz RBZGRCDTXHHKHG-LJQANCHMSA-N 0 0 371.362 4.543 50 0 FJAARN O=C(Nc1nccs1)c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000003095510 570551419 /nfs/dbraw/zinc/55/14/19/570551419.db2.gz KRWKYWMKILCGIA-UHFFFAOYSA-N 0 0 373.437 4.801 50 0 FJAARN CC(=O)c1ccc(Nc2nc3ccc(C)cc3nc2-n2nc(C)cc2C)cc1 ZINC000004885562 570554266 /nfs/dbraw/zinc/55/42/66/570554266.db2.gz ZWHCNGGRVOZKPC-UHFFFAOYSA-N 0 0 371.444 4.687 50 0 FJAARN COc1ccc2cc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)sc3nc2c1 ZINC000004886326 570554356 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COc1cccc(CC(=O)Nc2c(-c3ccco3)n[nH]c2-c2ccccc2)c1 ZINC000034796914 570559298 /nfs/dbraw/zinc/55/92/98/570559298.db2.gz NIZJXWPZYRNUCF-UHFFFAOYSA-N 0 0 373.412 4.527 50 0 FJAARN Cc1ccccc1N1C(=O)c2ccccc2[C@@H]1Nc1ccc2c(c1)OCCO2 ZINC000004918819 570559336 /nfs/dbraw/zinc/55/93/36/570559336.db2.gz YZISITPNNCWMJA-JOCHJYFZSA-N 0 0 372.424 4.537 50 0 FJAARN COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)c2ccccc2Cl)cc1 ZINC000034796938 570559410 /nfs/dbraw/zinc/55/94/10/570559410.db2.gz RRXVLTRTPNKPCI-UHFFFAOYSA-N 0 0 367.836 4.868 50 0 FJAARN Cc1ccc(Oc2ccc(N(Cc3ccco3)C(=O)NC(C)C)cn2)cc1 ZINC000034898400 570561788 /nfs/dbraw/zinc/56/17/88/570561788.db2.gz ICPRKUSFEWJGIO-UHFFFAOYSA-N 0 0 365.433 4.900 50 0 FJAARN CC[C@H]1CCCCN1C(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000004930750 570561886 /nfs/dbraw/zinc/56/18/86/570561886.db2.gz WYYROWUPMHQCPI-INIZCTEOSA-N 0 0 353.491 4.776 50 0 FJAARN Cc1ccc2oc(=O)c3cc(C(=O)N(C)c4ccccc4C)sc3c2c1 ZINC000004939401 570562968 /nfs/dbraw/zinc/56/29/68/570562968.db2.gz 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C[C@@H]1CCCC[C@@H]1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1 ZINC000004972049 570569667 /nfs/dbraw/zinc/56/96/67/570569667.db2.gz SOEIXXKERLNOBC-BEFAXECRSA-N 0 0 361.441 4.769 50 0 FJAARN COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn32)c1 ZINC000003893794 570570490 /nfs/dbraw/zinc/57/04/90/570570490.db2.gz KMQQKQNXLAFUBG-UHFFFAOYSA-N 0 0 357.413 4.571 50 0 FJAARN CCN(CC)c1cc(C)c2cc(NC(=O)c3cccnc3Cl)ccc2n1 ZINC000003894401 570570594 /nfs/dbraw/zinc/57/05/94/570570594.db2.gz CMBZYYRPERWWAB-UHFFFAOYSA-N 0 0 368.868 4.690 50 0 FJAARN CC(=O)Oc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000003898225 570571144 /nfs/dbraw/zinc/57/11/44/570571144.db2.gz YEASCLFTFSBMLB-QHCPKHFHSA-N 0 0 356.425 4.968 50 0 FJAARN CCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000003959410 570572328 /nfs/dbraw/zinc/57/23/28/570572328.db2.gz NHHDLIDLZHKDBI-UHFFFAOYSA-N 0 0 352.217 4.813 50 0 FJAARN CCC(=O)N1c2ccccc2[C@@H](N(C(=O)C2CC2)c2ccccc2)C[C@H]1C ZINC000004988699 570572327 /nfs/dbraw/zinc/57/23/27/570572327.db2.gz 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568086560 /nfs/dbraw/zinc/08/65/60/568086560.db2.gz NKDPENGQVHCRLW-UHFFFAOYSA-N 0 0 354.504 4.962 50 0 FJAARN Cc1csc(CCNc2ncnc3scc(-c4ccc(F)cc4)c32)n1 ZINC000024765263 568088552 /nfs/dbraw/zinc/08/85/52/568088552.db2.gz UWOQHYYOQLGLAH-UHFFFAOYSA-N 0 0 370.478 4.917 50 0 FJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(N)cc2s1 ZINC000000712601 568123744 /nfs/dbraw/zinc/12/37/44/568123744.db2.gz FCFCKNWODAELJA-UHFFFAOYSA-N 0 0 363.895 4.571 50 0 FJAARN Fc1ccc(CC2=C3C(=NC(=S)N[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000000715691 568126931 /nfs/dbraw/zinc/12/69/31/568126931.db2.gz KRJNXXKGOLDLAM-VUVZNRFTSA-N 0 0 354.425 4.615 50 0 FJAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000000724662 568139064 /nfs/dbraw/zinc/13/90/64/568139064.db2.gz OHWPZZCFPLNIOL-UHFFFAOYSA-N 0 0 362.360 4.895 50 0 FJAARN CCOC(=O)c1sc2ncnc(Nc3ccc(F)cc3Cl)c2c1C ZINC000000756823 568188095 /nfs/dbraw/zinc/18/80/95/568188095.db2.gz PLSINFJSIKCXIK-UHFFFAOYSA-N 0 0 365.817 4.713 50 0 FJAARN O=C(Cc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccccc1)CCC2 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CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000021893476 220369661 /nfs/dbraw/zinc/36/96/61/220369661.db2.gz OMQSKQAUMWYBFH-QFIPXVFZSA-N 0 0 359.473 4.810 50 0 FJAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1 ZINC000021888962 220370317 /nfs/dbraw/zinc/37/03/17/220370317.db2.gz CYKFDGANXZIDOP-OAQYLSRUSA-N 0 0 363.436 4.641 50 0 FJAARN Cc1nn2c(ncc(C(=O)Nc3cc(C)cc(C)c3)c2C)c1-c1ccccc1 ZINC000021914829 220371308 /nfs/dbraw/zinc/37/13/08/220371308.db2.gz XXAFFXDTXFFAFT-UHFFFAOYSA-N 0 0 370.456 4.882 50 0 FJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc2ccccc21 ZINC000021933396 220371363 /nfs/dbraw/zinc/37/13/63/220371363.db2.gz VTGUIKAHSZGZCX-UHFFFAOYSA-N 0 0 355.441 4.572 50 0 FJAARN CCOC(=O)c1sc2nc(C)nc(Oc3cc(C)cc(C)c3)c2c1C ZINC000021932707 220371832 /nfs/dbraw/zinc/37/18/32/220371832.db2.gz XWBUMGGWXDTMAV-UHFFFAOYSA-N 0 0 356.447 4.894 50 0 FJAARN COc1ccccc1C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000021944807 220372777 /nfs/dbraw/zinc/37/27/77/220372777.db2.gz 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220392819 /nfs/dbraw/zinc/39/28/19/220392819.db2.gz NZOXSGVWOHCMOI-OAQYLSRUSA-N 0 0 373.880 4.631 50 0 FJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(F)c(F)c1 ZINC000022630310 220393163 /nfs/dbraw/zinc/39/31/63/220393163.db2.gz XBEOXJNOUYWBEQ-UHFFFAOYSA-N 0 0 353.390 4.579 50 0 FJAARN O=C(NCCc1ccc(F)cc1)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000022671698 220393575 /nfs/dbraw/zinc/39/35/75/220393575.db2.gz SVRYMDAUFSCZHT-UHFFFAOYSA-N 0 0 361.388 4.805 50 0 FJAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)C1 ZINC000022662911 220393925 /nfs/dbraw/zinc/39/39/25/220393925.db2.gz DVNRGCIBTLDQGA-IRXDYDNUSA-N 0 0 359.473 4.862 50 0 FJAARN CCc1ccc(CNC(=O)c2sc(NC3CCCCC3)nc2C)cc1 ZINC000071326682 208762932 /nfs/dbraw/zinc/76/29/32/208762932.db2.gz IBWFCOHKSHZXIG-UHFFFAOYSA-N 0 0 357.523 4.689 50 0 FJAARN COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000022993779 220407882 /nfs/dbraw/zinc/40/78/82/220407882.db2.gz NCCKRYPVDIBSNC-UHFFFAOYSA-N 0 0 357.881 4.819 50 0 FJAARN Cc1nc(C(C)C)sc1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000071839311 208784428 /nfs/dbraw/zinc/78/44/28/208784428.db2.gz JGFIZHPOOTWFIO-OAHLLOKOSA-N 0 0 370.478 4.555 50 0 FJAARN CC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1 ZINC000024589951 220452471 /nfs/dbraw/zinc/45/24/71/220452471.db2.gz NIWODUBBJFPYBR-UHFFFAOYSA-N 0 0 372.424 4.643 50 0 FJAARN Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccco4)n3)n2)o1 ZINC000024773014 220461980 /nfs/dbraw/zinc/46/19/80/220461980.db2.gz RJNNZFBICZBLHB-UHFFFAOYSA-N 0 0 371.443 4.609 50 0 FJAARN O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc(-c2nnco2)c1 ZINC000024697174 220457184 /nfs/dbraw/zinc/45/71/84/220457184.db2.gz ASGQKCSFUFMMQU-UHFFFAOYSA-N 0 0 369.380 4.817 50 0 FJAARN CC(=O)Oc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000025281871 220479515 /nfs/dbraw/zinc/47/95/15/220479515.db2.gz ZEHQXUVDBJVZET-QHCPKHFHSA-N 0 0 373.452 4.748 50 0 FJAARN CSc1ccc(CNC(=O)CCc2conc2-c2cccc(C)c2)cc1 ZINC000075510403 208887491 /nfs/dbraw/zinc/88/74/91/208887491.db2.gz YTMSACIYPZDXDR-UHFFFAOYSA-N 0 0 366.486 4.621 50 0 FJAARN O=C(Nc1ccc(Cl)c2ncccc12)c1ccc(Br)cc1 ZINC000026071161 220505009 /nfs/dbraw/zinc/50/50/09/220505009.db2.gz KBBNYNVJJVUGIP-UHFFFAOYSA-N 0 0 361.626 4.903 50 0 FJAARN C[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1 ZINC000026520659 220516493 /nfs/dbraw/zinc/51/64/93/220516493.db2.gz OXOKGOBZFKDZIG-NSHDSACASA-N 0 0 372.337 4.587 50 0 FJAARN C[C@@H](OC(=O)c1cc2sc(N(C)C)nc2s1)c1ccc(F)c(F)c1 ZINC000089904682 208970499 /nfs/dbraw/zinc/97/04/99/208970499.db2.gz QGHIXBFJLVSTBX-MRVPVSSYSA-N 0 0 368.430 4.620 50 0 FJAARN CC(C)Oc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 ZINC000027991596 220554410 /nfs/dbraw/zinc/55/44/10/220554410.db2.gz KEOOMOYLOWATGF-UHFFFAOYSA-N 0 0 364.420 4.855 50 0 FJAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000028231010 220566387 /nfs/dbraw/zinc/56/63/87/220566387.db2.gz VUVWDIAYOSEWKL-NHCUHLMSSA-N 0 0 359.473 4.599 50 0 FJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 ZINC000091817616 208998379 /nfs/dbraw/zinc/99/83/79/208998379.db2.gz HVEAHIJZBJLJQU-UHFFFAOYSA-N 0 0 367.449 4.576 50 0 FJAARN Cc1ccc(-c2nc(CN(C)Cc3nc4ccccc4s3)cs2)o1 ZINC000029705896 220610715 /nfs/dbraw/zinc/61/07/15/220610715.db2.gz ADLUABVOOQLGCE-UHFFFAOYSA-N 0 0 355.488 4.953 50 0 FJAARN Cc1cccc(C)c1OC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000032768059 220676813 /nfs/dbraw/zinc/67/68/13/220676813.db2.gz SYZCWWOPIGGAPJ-UHFFFAOYSA-N 0 0 356.809 4.545 50 0 FJAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)NCc3ccc(F)cc3)c2c1 ZINC000032953331 220703698 /nfs/dbraw/zinc/70/36/98/220703698.db2.gz KZVZFPBPBPMTLF-UHFFFAOYSA-N 0 0 371.415 4.674 50 0 FJAARN Cc1ccc(C)c(-n2c(N)c(C(=O)Nc3cccc(F)c3)sc2=S)c1 ZINC000032952364 220704327 /nfs/dbraw/zinc/70/43/27/220704327.db2.gz UJPMYBSQFFTLPZ-UHFFFAOYSA-N 0 0 373.478 4.859 50 0 FJAARN Cc1ccc(Cl)cc1Nc1nc(N)c(C(=O)c2ccc(F)cc2)s1 ZINC000032948121 220704498 /nfs/dbraw/zinc/70/44/98/220704498.db2.gz UIUFRFIXRXCJNY-UHFFFAOYSA-N 0 0 361.829 4.801 50 0 FJAARN COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3C)nc2N)cc1 ZINC000032947983 220704805 /nfs/dbraw/zinc/70/48/05/220704805.db2.gz UJLWCOBIZMWCNY-UHFFFAOYSA-N 0 0 373.865 4.670 50 0 FJAARN O=C(Cc1ccccc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960718 220705476 /nfs/dbraw/zinc/70/54/76/220705476.db2.gz NKUAOMXJDCQGHM-UHFFFAOYSA-N 0 0 355.441 4.529 50 0 FJAARN CCCCNC(=O)c1ccc(Nc2ccc(-c3cccc(C)c3)nn2)cc1 ZINC000033256957 220721342 /nfs/dbraw/zinc/72/13/42/220721342.db2.gz LSQGDYDYVRAXFK-UHFFFAOYSA-N 0 0 360.461 4.726 50 0 FJAARN CCCCNC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000033257980 220722877 /nfs/dbraw/zinc/72/28/77/220722877.db2.gz JBTCNECFUWVKPY-UHFFFAOYSA-N 0 0 364.424 4.556 50 0 FJAARN C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)NC1CCCC1)CCCC3 ZINC000033265592 220723465 /nfs/dbraw/zinc/72/34/65/220723465.db2.gz XEGKPEQXPQDQDP-CQSZACIVSA-N 0 0 369.534 4.946 50 0 FJAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(C(C)(C)C)cc1 ZINC000033496945 220744548 /nfs/dbraw/zinc/74/45/48/220744548.db2.gz YHXXCJUMRFPKJT-JXAWBTAJSA-N 0 0 350.487 4.589 50 0 FJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2cccc(F)c2)cc1 ZINC000034795943 220763666 /nfs/dbraw/zinc/76/36/66/220763666.db2.gz RZTOHOMNPJXDCG-UHFFFAOYSA-N 0 0 367.424 4.675 50 0 FJAARN CCCc1[nH]nc(-c2ccccc2OC)c1NC(=O)c1ccc(Cl)cc1 ZINC000034796315 220764199 /nfs/dbraw/zinc/76/41/99/220764199.db2.gz WHLDCIXDUQPLGI-UHFFFAOYSA-N 0 0 369.852 4.944 50 0 FJAARN COc1ccccc1-c1nc2ccc(C)cn2c1NC(=O)c1ccccc1C ZINC000034912710 220768929 /nfs/dbraw/zinc/76/89/29/220768929.db2.gz DPGDNWQKYKJTEJ-UHFFFAOYSA-N 0 0 371.440 4.879 50 0 FJAARN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000035476371 220785129 /nfs/dbraw/zinc/78/51/29/220785129.db2.gz QQBDUVGSJVZJMF-GOSISDBHSA-N 0 0 354.356 4.597 50 0 FJAARN CCc1ccc(Nc2nc(C(=O)N3CCCC[C@H]3C)nc3ccccc32)cc1 ZINC000035430031 220783374 /nfs/dbraw/zinc/78/33/74/220783374.db2.gz IPGAGBIDCVEEHY-MRXNPFEDSA-N 0 0 374.488 4.950 50 0 FJAARN COc1ccc(NC(=O)c2c(C)onc2-c2cccc(Cl)c2)c(OC)c1 ZINC000035536271 220788098 /nfs/dbraw/zinc/78/80/98/220788098.db2.gz IGHUVGIBHUHLNW-UHFFFAOYSA-N 0 0 372.808 4.573 50 0 FJAARN CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccccc2Cc2ccccc2)CCO1 ZINC000095992433 209094125 /nfs/dbraw/zinc/09/41/25/209094125.db2.gz BNYIJLPWPQCOGD-NHCUHLMSSA-N 0 0 366.505 4.993 50 0 FJAARN CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)CC ZINC000036106791 220804622 /nfs/dbraw/zinc/80/46/22/220804622.db2.gz UORQGUCKIODAHE-UHFFFAOYSA-N 0 0 352.887 4.524 50 0 FJAARN O=c1nc2n(c3scc(-c4ccccc4Cl)c31)Cc1ccccc1-2 ZINC000036611823 220821793 /nfs/dbraw/zinc/82/17/93/220821793.db2.gz NBYIXVGNQKGPNJ-UHFFFAOYSA-N 0 0 350.830 4.807 50 0 FJAARN COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000036621169 220824547 /nfs/dbraw/zinc/82/45/47/220824547.db2.gz HNVAOOHXTQBRNZ-KRWDZBQOSA-N 0 0 360.841 4.726 50 0 FJAARN CC(C)c1ccc(C(=O)c2ccc(I)cc2)cc1 ZINC000037357626 220834898 /nfs/dbraw/zinc/83/48/98/220834898.db2.gz LAOFRFKWAPHIJX-UHFFFAOYSA-N 0 0 350.199 4.646 50 0 FJAARN Cc1cc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)ccc2o1 ZINC000091966223 209006894 /nfs/dbraw/zinc/00/68/94/209006894.db2.gz COTNJJLZURRGIV-IBGZPJMESA-N 0 0 359.429 4.985 50 0 FJAARN COC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)c2cccc(F)c2n1 ZINC000038486944 220852132 /nfs/dbraw/zinc/85/21/32/220852132.db2.gz WMXZGVOLMOTYHH-UHFFFAOYSA-N 0 0 360.772 4.566 50 0 FJAARN O=S(=O)(Cc1c(Cl)cccc1Cl)[C@H]1CCCc2ccccc21 ZINC000040127605 220885765 /nfs/dbraw/zinc/88/57/65/220885765.db2.gz ZKJRNPSELZSKFZ-KRWDZBQOSA-N 0 0 355.286 4.986 50 0 FJAARN CC(=O)Nc1cccc(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000040103588 220880666 /nfs/dbraw/zinc/88/06/66/220880666.db2.gz DNWMPPMWGJEDAF-UHFFFAOYSA-N 0 0 371.440 4.538 50 0 FJAARN O=C(/C=C/c1ccccc1OC(F)F)Nc1cccc(N2CCCC2)c1 ZINC000040146372 220888955 /nfs/dbraw/zinc/88/89/55/220888955.db2.gz SCTTXQVZOLQKAK-ZHACJKMWSA-N 0 0 358.388 4.540 50 0 FJAARN Cc1nc(-c2ccc(NC(=O)CCOc3cc(C)cc(C)c3)cc2)oc1C ZINC000040156308 220892807 /nfs/dbraw/zinc/89/28/07/220892807.db2.gz RQQDYXOPXWGJKQ-UHFFFAOYSA-N 0 0 364.445 4.983 50 0 FJAARN O=C1C[C@H](c2ccc(F)c(F)c2)c2ncn(-c3cc(F)cc(F)c3)c2N1 ZINC000040283370 220898787 /nfs/dbraw/zinc/89/87/87/220898787.db2.gz KSEVIIDPRIDDDH-CYBMUJFWSA-N 0 0 361.298 4.552 50 0 FJAARN CC(=O)N(Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000095960032 209091357 /nfs/dbraw/zinc/09/13/57/209091357.db2.gz AURXFLCBAUFIED-UHFFFAOYSA-N 0 0 368.521 4.598 50 0 FJAARN CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000095067931 209017965 /nfs/dbraw/zinc/01/79/65/209017965.db2.gz NHKUAZUNNWXMCQ-UHFFFAOYSA-N 0 0 372.259 4.512 50 0 FJAARN O=C(NCCSCc1cccc(Cl)c1)C1(c2ccc(F)cc2)CC1 ZINC000092065675 209015379 /nfs/dbraw/zinc/01/53/79/209015379.db2.gz YLROQIABFZWWIC-UHFFFAOYSA-N 0 0 363.885 4.560 50 0 FJAARN Cc1nc2ncccc2c(N[C@H](c2ccc(Cl)cc2)c2cccnc2)n1 ZINC000095386003 209044466 /nfs/dbraw/zinc/04/44/66/209044466.db2.gz RCKCHFQPNIKOTK-GOSISDBHSA-N 0 0 361.836 4.583 50 0 FJAARN Cc1nc(S(=O)(=O)[C@@H](C)c2ccccc2F)n(C2CCCCC2)c1C ZINC000095373527 209034562 /nfs/dbraw/zinc/03/45/62/209034562.db2.gz ZBVANGGUXAIAQP-HNNXBMFYSA-N 0 0 364.486 4.679 50 0 FJAARN O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000095395351 209047066 /nfs/dbraw/zinc/04/70/66/209047066.db2.gz PTGHYNYURDHKLA-OAHLLOKOSA-N 0 0 370.522 4.856 50 0 FJAARN CC(=O)Nc1cccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 ZINC000043654309 220948748 /nfs/dbraw/zinc/94/87/48/220948748.db2.gz CLOUCWWCFLMVAR-GOSISDBHSA-N 0 0 357.479 4.760 50 0 FJAARN CC(C)(C)OC(=O)N1CCCN1c1nc2cc(C(F)(F)F)ccc2s1 ZINC000095446172 209051113 /nfs/dbraw/zinc/05/11/13/209051113.db2.gz BHZRPNHWNSYTCV-UHFFFAOYSA-N 0 0 373.400 4.677 50 0 FJAARN Cc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000095453540 209052896 /nfs/dbraw/zinc/05/28/96/209052896.db2.gz FLFTVORRKHKVSR-HXUWFJFHSA-N 0 0 350.849 4.757 50 0 FJAARN COc1cc(CNc2cnn(-c3ccccc3)c2C)ccc1OC(C)C ZINC000095462172 209054400 /nfs/dbraw/zinc/05/44/00/209054400.db2.gz LYTLTIYJTLHHRA-UHFFFAOYSA-N 0 0 351.450 4.589 50 0 FJAARN CCN1Cc2cccc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C1 ZINC000095464967 209055982 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O=C(/C=C/c1ccccc1Br)N1CCC[C@H]1c1ccccc1 ZINC000009957015 207291066 /nfs/dbraw/zinc/29/10/66/207291066.db2.gz DCSZWXUWSCCGBD-HHNLSAEISA-N 0 0 356.263 4.826 50 0 FJAARN Cc1ccc2nc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)sc2c1 ZINC000010126686 207295483 /nfs/dbraw/zinc/29/54/83/207295483.db2.gz DVQLXRQOGMCQRS-UHFFFAOYSA-N 0 0 368.849 4.901 50 0 FJAARN Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000010156651 207296075 /nfs/dbraw/zinc/29/60/75/207296075.db2.gz ZXEGCPSBDVSAAX-LBPRGKRZSA-N 0 0 353.422 4.642 50 0 FJAARN Cc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 ZINC000010156576 207296662 /nfs/dbraw/zinc/29/66/62/207296662.db2.gz SPLXDDTYGFFMTO-MRXNPFEDSA-N 0 0 361.420 4.889 50 0 FJAARN C[C@H](SC1=NCCS1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000010863401 207306086 /nfs/dbraw/zinc/30/60/86/207306086.db2.gz IBPUDRJKYNNLMV-ZETCQYMHSA-N 0 0 368.833 4.522 50 0 FJAARN O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1cccc(Cl)c1 ZINC000011009366 207308435 /nfs/dbraw/zinc/30/84/35/207308435.db2.gz 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C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)N1CCc2ccccc21 ZINC000010715067 207304236 /nfs/dbraw/zinc/30/42/36/207304236.db2.gz JAUNNFSLHDKUGP-CYBMUJFWSA-N 0 0 368.433 4.551 50 0 FJAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C)c(C)n1C(C)C ZINC000010710297 207305056 /nfs/dbraw/zinc/30/50/56/207305056.db2.gz LFROSYKKXSSWAW-UHFFFAOYSA-N 0 0 374.535 4.518 50 0 FJAARN CCCCc1ccc(-n2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1 ZINC000011692782 207318528 /nfs/dbraw/zinc/31/85/28/207318528.db2.gz NQCQQBDCRYTAQE-UHFFFAOYSA-N 0 0 362.477 4.787 50 0 FJAARN CN(Cc1nccs1)C(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011709066 207320938 /nfs/dbraw/zinc/32/09/38/207320938.db2.gz XUCLCLZKRXFTQJ-GOSISDBHSA-N 0 0 370.905 4.977 50 0 FJAARN CC[C@@H](NC(=O)c1cc(Cc2ccccc2Cl)no1)c1cccs1 ZINC000011782325 207322027 /nfs/dbraw/zinc/32/20/27/207322027.db2.gz BYODYJNKCNGDJN-OAHLLOKOSA-N 0 0 360.866 4.861 50 0 FJAARN Fc1ccc([C@H]2CCN(Cc3ncc[nH]3)c3ccccc3S2)cc1F ZINC000011789934 207322136 /nfs/dbraw/zinc/32/21/36/207322136.db2.gz 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ZINC000012216906 207348950 /nfs/dbraw/zinc/34/89/50/207348950.db2.gz SGBPYYUSQBIXOX-UHFFFAOYSA-N 0 0 356.425 4.954 50 0 FJAARN Clc1cccc(/C=C/c2nn3c(Cc4ccccc4)nnc3s2)c1 ZINC000012274160 207351932 /nfs/dbraw/zinc/35/19/32/207351932.db2.gz LMTFHGKRYNFIPG-MDZDMXLPSA-N 0 0 352.850 4.600 50 0 FJAARN Cc1ccc(CN2CCOc3c(O)cc(-c4cccs4)cc3C2)cc1 ZINC000012282696 207352915 /nfs/dbraw/zinc/35/29/15/207352915.db2.gz NRYUIMWABJWGMV-UHFFFAOYSA-N 0 0 351.471 4.824 50 0 FJAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000012302053 207357260 /nfs/dbraw/zinc/35/72/60/207357260.db2.gz MTNRSEOIZVTJPR-SFHVURJKSA-N 0 0 366.461 4.601 50 0 FJAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000012312114 207359936 /nfs/dbraw/zinc/35/99/36/207359936.db2.gz ZWRHJHMRFMXNLP-NQIIRXRSSA-N 0 0 362.454 4.999 50 0 FJAARN Fc1cccc(-c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn32)c1F ZINC000012321809 207361186 /nfs/dbraw/zinc/36/11/86/207361186.db2.gz XDYOBGPGZOJGHH-RMKNXTFCSA-N 0 0 374.803 4.955 50 0 FJAARN Cc1cccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 ZINC000012325014 207361555 /nfs/dbraw/zinc/36/15/55/207361555.db2.gz QVYSRIGOHFPPLF-UHFFFAOYSA-N 0 0 370.408 4.724 50 0 FJAARN Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)cc1C ZINC000012318708 207361749 /nfs/dbraw/zinc/36/17/49/207361749.db2.gz OMHBMDVMOJKCEU-OAQYLSRUSA-N 0 0 359.473 4.568 50 0 FJAARN O=C(NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)C1=CCCC1 ZINC000012333864 207364317 /nfs/dbraw/zinc/36/43/17/207364317.db2.gz XNQDOVIIRZBMND-INIZCTEOSA-N 0 0 359.878 4.599 50 0 FJAARN CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1cccs1)CC3=O ZINC000012408070 207371511 /nfs/dbraw/zinc/37/15/11/207371511.db2.gz ONEJUEJNFCHRNA-CQSZACIVSA-N 0 0 354.427 4.822 50 0 FJAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)/C=C/C(C)C)cc1 ZINC000012433184 207377158 /nfs/dbraw/zinc/37/71/58/207377158.db2.gz SGTVXCKJXUVBOX-NJGYHNCTSA-N 0 0 351.494 4.523 50 0 FJAARN Cc1ccc(C)c(NC(=O)[C@@H](Nc2cccc(CO)c2)c2ccccc2)c1 ZINC000012523087 207384390 /nfs/dbraw/zinc/38/43/90/207384390.db2.gz XLWHWJJLSQIOKM-QFIPXVFZSA-N 0 0 360.457 4.588 50 0 FJAARN Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 ZINC000012477585 207382369 /nfs/dbraw/zinc/38/23/69/207382369.db2.gz HEEHSDJUHVHNDF-QHCPKHFHSA-N 0 0 374.463 4.541 50 0 FJAARN Cc1oc(-c2ccsc2)nc1CN1CCC([C@H](O)c2cccs2)CC1 ZINC000012472917 207383069 /nfs/dbraw/zinc/38/30/69/207383069.db2.gz NNNSBCXAYMNYKU-SFHVURJKSA-N 0 0 374.531 4.719 50 0 FJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1N1CCCC1 ZINC000012522490 207384571 /nfs/dbraw/zinc/38/45/71/207384571.db2.gz GHVLUHOQNUOBGZ-UHFFFAOYSA-N 0 0 369.515 4.653 50 0 FJAARN CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000012521126 207385157 /nfs/dbraw/zinc/38/51/57/207385157.db2.gz YHWCHFOAMIJPLB-UHFFFAOYSA-N 0 0 364.879 4.502 50 0 FJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(-n2cccc2)c1 ZINC000012532683 207386437 /nfs/dbraw/zinc/38/64/37/207386437.db2.gz RBKDTGGORDPFBQ-OAHLLOKOSA-N 0 0 361.470 4.920 50 0 FJAARN 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ZINC000015867140 570847093 /nfs/dbraw/zinc/84/70/93/570847093.db2.gz NNMDBAHRADABPD-OAHLLOKOSA-N 0 0 358.463 4.934 50 0 FJAARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000015867139 570847140 /nfs/dbraw/zinc/84/71/40/570847140.db2.gz NNMDBAHRADABPD-HNNXBMFYSA-N 0 0 358.463 4.934 50 0 FJAARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000015866842 570847195 /nfs/dbraw/zinc/84/71/95/570847195.db2.gz KARQUHSGNDRTAX-OAHLLOKOSA-N 0 0 371.474 4.641 50 0 FJAARN CC(=O)N[C@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000015963713 570849051 /nfs/dbraw/zinc/84/90/51/570849051.db2.gz ZVNSVGWQWFPEFX-OAQYLSRUSA-N 0 0 374.440 4.685 50 0 FJAARN CCc1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000016161728 570851584 /nfs/dbraw/zinc/85/15/84/570851584.db2.gz KRBOADHPDAJIRC-UHFFFAOYSA-N 0 0 369.852 4.914 50 0 FJAARN CC(=O)Nc1ccc(C)cc1OCc1sc(-c2ccccc2)nc1C ZINC000103720182 570852186 /nfs/dbraw/zinc/85/21/86/570852186.db2.gz LSHXCTVYMIYXOM-UHFFFAOYSA-N 0 0 352.459 4.964 50 0 FJAARN Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(C)c1 ZINC000016285039 570853880 /nfs/dbraw/zinc/85/38/80/570853880.db2.gz TZZVGYFGTKWSFP-UHFFFAOYSA-N 0 0 371.440 4.864 50 0 FJAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000004589275 570855376 /nfs/dbraw/zinc/85/53/76/570855376.db2.gz UHXGKGITLLMKJM-UHFFFAOYSA-N 0 0 359.731 4.628 50 0 FJAARN Cc1cc(F)ccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000014785907 570857429 /nfs/dbraw/zinc/85/74/29/570857429.db2.gz UPVMCBBBRNGFRE-UHFFFAOYSA-N 0 0 357.388 4.997 50 0 FJAARN Cc1ccc(NCN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 ZINC000016671502 570860004 /nfs/dbraw/zinc/86/00/04/570860004.db2.gz QXLRMJQVNQLTPB-HYZSBJHASA-N 0 0 350.443 4.657 50 0 FJAARN COc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000016758698 570862002 /nfs/dbraw/zinc/86/20/02/570862002.db2.gz YFLQYSZRAXUPMR-LAUBAEHRSA-N 0 0 364.376 4.670 50 0 FJAARN CC[C@H]1c2ccsc2CCN1C(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000016778732 570862051 /nfs/dbraw/zinc/86/20/51/570862051.db2.gz AICMPGKQGQGSCX-AWEZNQCLSA-N 0 0 365.882 4.568 50 0 FJAARN CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 ZINC000051315495 570864043 /nfs/dbraw/zinc/86/40/43/570864043.db2.gz RJFWTQLIKSOWMP-UHFFFAOYSA-N 0 0 355.825 4.690 50 0 FJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(C)cc2)[C@H](C)C(C)C)n1 ZINC000104960581 570865086 /nfs/dbraw/zinc/86/50/86/570865086.db2.gz KMQSBKDLDBZHLD-QZTJIDSGSA-N 0 0 371.525 4.558 50 0 FJAARN Cc1cccc(-c2nc(CSc3nnc(-c4ccco4)n3C)cs2)c1 ZINC000017075615 570867502 /nfs/dbraw/zinc/86/75/02/570867502.db2.gz UVWOLXVBVCGCFP-UHFFFAOYSA-N 0 0 368.487 4.799 50 0 FJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2cc(OCC)c(OCC)cc21 ZINC000017075743 570867745 /nfs/dbraw/zinc/86/77/45/570867745.db2.gz WZTJBURISXSLRT-MRXNPFEDSA-N 0 0 369.461 4.747 50 0 FJAARN COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 ZINC000017120946 570868895 /nfs/dbraw/zinc/86/88/95/570868895.db2.gz JQXGCHCODFCYLK-UHFFFAOYSA-N 0 0 365.824 4.530 50 0 FJAARN NC(=O)c1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000017138163 570869107 /nfs/dbraw/zinc/86/91/07/570869107.db2.gz CCHILACMPSUXPL-UHFFFAOYSA-N 0 0 374.831 4.793 50 0 FJAARN O=c1[nH]c(Cc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000017146794 570869886 /nfs/dbraw/zinc/86/98/86/570869886.db2.gz LQSIOYHMEGHFFZ-UHFFFAOYSA-N 0 0 356.469 4.786 50 0 FJAARN Cc1ccc(NC(=O)Nc2nnc(COc3cc(C)cc(C)c3)s2)cc1 ZINC000017180562 570870228 /nfs/dbraw/zinc/87/02/28/570870228.db2.gz KGZQJZXTLJDQDO-UHFFFAOYSA-N 0 0 368.462 4.686 50 0 FJAARN Cc1c(C(=O)N2CCC[C@@H]2Cc2ccccc2)oc2c1C(=O)CC(C)(C)C2 ZINC000032933194 570872288 /nfs/dbraw/zinc/87/22/88/570872288.db2.gz IHHDFMWBQGKXBR-QGZVFWFLSA-N 0 0 365.473 4.590 50 0 FJAARN CC[C@H](C)NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C ZINC000014857264 570872445 /nfs/dbraw/zinc/87/24/45/570872445.db2.gz WXNGACUUPOEMEF-LBPRGKRZSA-N 0 0 370.522 4.886 50 0 FJAARN CCc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 ZINC000032935061 570873236 /nfs/dbraw/zinc/87/32/36/570873236.db2.gz JHDVMMRMCYLMTD-IBGZPJMESA-N 0 0 371.278 4.709 50 0 FJAARN Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)cc1 ZINC000018155793 570875619 /nfs/dbraw/zinc/87/56/19/570875619.db2.gz BQPYTAHDNRGLSY-KPOBHBOGSA-N 0 0 361.441 4.797 50 0 FJAARN Cc1nc(CSCCC(=O)N2CCC[C@@H]2c2ccsc2)cs1 ZINC000046915196 570877569 /nfs/dbraw/zinc/87/75/69/570877569.db2.gz JPRVERSFPWVFSH-OAHLLOKOSA-N 0 0 352.550 4.500 50 0 FJAARN COC(=O)c1c(Nc2ccc(F)cc2C)onc1-c1cccc(Cl)c1 ZINC000046914698 570875880 /nfs/dbraw/zinc/87/58/80/570875880.db2.gz BUZIPLKMSSGWFZ-UHFFFAOYSA-N 0 0 360.772 4.973 50 0 FJAARN Clc1ccc(-c2noc(-c3ccc(NCc4cccs4)nn3)n2)cc1 ZINC000046913706 570876614 /nfs/dbraw/zinc/87/66/14/570876614.db2.gz KHPBESVCXKETBV-UHFFFAOYSA-N 0 0 369.837 4.521 50 0 FJAARN COC(=O)c1c(NCc2ccc(Cl)cc2)onc1-c1ccc(F)cc1 ZINC000046914441 570877134 /nfs/dbraw/zinc/87/71/34/570877134.db2.gz IEWJHHVCGGKCOX-UHFFFAOYSA-N 0 0 360.772 4.533 50 0 FJAARN COc1ccc([C@H](NC(=O)c2nccc3ccccc32)c2ccccc2)cc1 ZINC000060193027 570881205 /nfs/dbraw/zinc/88/12/05/570881205.db2.gz GXEJVMMFTGLMKR-JOCHJYFZSA-N 0 0 368.436 4.763 50 0 FJAARN COc1ccc([C@H](CC(=O)N(C)Cc2ncccc2C)c2ccccc2)cc1 ZINC000019229062 570883110 /nfs/dbraw/zinc/88/31/10/570883110.db2.gz DSUOUCXCLJMWKU-JOCHJYFZSA-N 0 0 374.484 4.579 50 0 FJAARN Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cn3)o2)cc1C ZINC000002754156 570883931 /nfs/dbraw/zinc/88/39/31/570883931.db2.gz KTBJGMHAGIGHOS-UHFFFAOYSA-N 0 0 356.809 4.776 50 0 FJAARN CSc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 ZINC000012038151 570888425 /nfs/dbraw/zinc/88/84/25/570888425.db2.gz RBFOEVZZTUZFCY-NSHDSACASA-N 0 0 366.280 4.577 50 0 FJAARN CSc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000012039727 570888490 /nfs/dbraw/zinc/88/84/90/570888490.db2.gz ROVAWMVSYQZYER-UHFFFAOYSA-N 0 0 359.451 4.648 50 0 FJAARN CC(=O)[C@@H](C)n1c2ccccc2nc1SCCOc1cc(C)cc(C)c1 ZINC000012062342 570889021 /nfs/dbraw/zinc/88/90/21/570889021.db2.gz FPZZKNNAUNLEBR-MRXNPFEDSA-N 0 0 368.502 4.974 50 0 FJAARN Cc1cc(C)nc(Oc2cccc(NC(=O)c3c(F)cccc3Cl)c2)n1 ZINC000012090048 570889563 /nfs/dbraw/zinc/88/95/63/570889563.db2.gz DHYBMRDEGCMDMK-UHFFFAOYSA-N 0 0 371.799 4.931 50 0 FJAARN Cc1ccc(Br)cc1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000047570949 570892358 /nfs/dbraw/zinc/89/23/58/570892358.db2.gz XENBCQOEOCEJTD-MRXNPFEDSA-N 0 0 360.255 4.522 50 0 FJAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCc2sccc2C1 ZINC000012215836 570892410 /nfs/dbraw/zinc/89/24/10/570892410.db2.gz IMBONXKCVXHZQA-UHFFFAOYSA-N 0 0 367.445 4.665 50 0 FJAARN O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCc2sccc2C1 ZINC000012215864 570892442 /nfs/dbraw/zinc/89/24/42/570892442.db2.gz LMGZVCJMJMPWQE-UHFFFAOYSA-N 0 0 371.465 4.557 50 0 FJAARN COc1ccc(CCC(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000211079912 570894287 /nfs/dbraw/zinc/89/42/87/570894287.db2.gz NPBKOQHZKKJLBG-LJQANCHMSA-N 0 0 355.453 4.563 50 0 FJAARN O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc(-c2ccsc2)cc1 ZINC000211118002 570894522 /nfs/dbraw/zinc/89/45/22/570894522.db2.gz XSLCRHVPTDRICC-NRFANRHFSA-N 0 0 362.498 4.814 50 0 FJAARN O=C(NCc1ccc(C(=O)c2ccccc2)s1)Nc1c(F)cccc1F ZINC000211086187 570894608 /nfs/dbraw/zinc/89/46/08/570894608.db2.gz LNJKKZVAYYJQPK-UHFFFAOYSA-N 0 0 372.396 4.579 50 0 FJAARN CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)cc1 ZINC000012226938 570894639 /nfs/dbraw/zinc/89/46/39/570894639.db2.gz MIMSZJJYTLRVPP-UHFFFAOYSA-N 0 0 371.396 4.653 50 0 FJAARN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1C ZINC000044837249 570900334 /nfs/dbraw/zinc/90/03/34/570900334.db2.gz NCRLRNMZFUCLBN-UHFFFAOYSA-N 0 0 370.250 4.708 50 0 FJAARN C[C@H](NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1)c1ccc(F)cc1 ZINC000044839321 570900713 /nfs/dbraw/zinc/90/07/13/570900713.db2.gz JOUMHFGQDFJKMV-AWEZNQCLSA-N 0 0 359.404 4.860 50 0 FJAARN CCOc1cccc(CNC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000044839202 570900794 /nfs/dbraw/zinc/90/07/94/570900794.db2.gz AZGVEOCGRMZJEP-UHFFFAOYSA-N 0 0 371.440 4.559 50 0 FJAARN CCOc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839197 570900811 /nfs/dbraw/zinc/90/08/11/570900811.db2.gz OCHALNPNCKPASB-UHFFFAOYSA-N 0 0 371.440 4.559 50 0 FJAARN COc1ccccc1OCCNc1ccc(OCCc2ccccc2)cc1 ZINC000019738286 570901305 /nfs/dbraw/zinc/90/13/05/570901305.db2.gz KJMLRMQJYIRPIA-UHFFFAOYSA-N 0 0 363.457 4.808 50 0 FJAARN CC[C@H](CNc1ccccc1OC[C@H]1CCCO1)Oc1ccccc1C ZINC000019737592 570901314 /nfs/dbraw/zinc/90/13/14/570901314.db2.gz PINYTAIFLQJEFY-RTBURBONSA-N 0 0 355.478 4.822 50 0 FJAARN Cc1c(N)cccc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000019736273 570901386 /nfs/dbraw/zinc/90/13/86/570901386.db2.gz HWDSKZITBHQMSL-UHFFFAOYSA-N 0 0 353.249 4.682 50 0 FJAARN S=C1N(c2ccccc2)CN(Cc2ccccc2)CN1c1ccccc1 ZINC000019890864 570905163 /nfs/dbraw/zinc/90/51/63/570905163.db2.gz QUDLYANPZCPNPD-UHFFFAOYSA-N 0 0 359.498 4.715 50 0 FJAARN O=C1C[C@@H](c2ccccc2)SC(Nc2ccc(Br)cc2)=N1 ZINC000019880394 570905463 /nfs/dbraw/zinc/90/54/63/570905463.db2.gz LVHZKYMLSNSYEK-AWEZNQCLSA-N 0 0 361.264 4.622 50 0 FJAARN Cc1cccc(N(C)C(=O)COc2ccc(Cl)c3cccnc23)c1C ZINC000108429244 570906597 /nfs/dbraw/zinc/90/65/97/570906597.db2.gz JBQAMOYEYZABRU-UHFFFAOYSA-N 0 0 354.837 4.547 50 0 FJAARN COc1ccc(OC)c([C@H]2S[C@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000019927735 570906741 /nfs/dbraw/zinc/90/67/41/570906741.db2.gz XODJCZKRRIESPD-SPLOXXLWSA-N 0 0 371.502 4.994 50 0 FJAARN COc1ccc(OC)c([C@H]2S[C@@H](C)C(=O)N2c2ccc(C(C)C)cc2)c1 ZINC000019927728 570906750 /nfs/dbraw/zinc/90/67/50/570906750.db2.gz XODJCZKRRIESPD-LHSJRXKWSA-N 0 0 371.502 4.994 50 0 FJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)c1 ZINC000020029797 570908552 /nfs/dbraw/zinc/90/85/52/570908552.db2.gz LPCOWDFLKJNCRA-UHFFFAOYSA-N 0 0 361.360 4.571 50 0 FJAARN S=C(NC1CCCC1)N(CCCc1ccccc1)CCc1ccccc1 ZINC000020423569 570915668 /nfs/dbraw/zinc/91/56/68/570915668.db2.gz QOKXMHUXGMYKCR-UHFFFAOYSA-N 0 0 366.574 4.981 50 0 FJAARN Fc1cccc(Cl)c1CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020414226 570915709 /nfs/dbraw/zinc/91/57/09/570915709.db2.gz MDPQIIAGIUBGSB-UHFFFAOYSA-N 0 0 371.258 4.589 50 0 FJAARN COc1cccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)c1 ZINC000045943312 570916486 /nfs/dbraw/zinc/91/64/86/570916486.db2.gz LQOZBHMRHKDKQW-UHFFFAOYSA-N 0 0 374.849 4.734 50 0 FJAARN CC(C)n1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2oc1=O ZINC000046010363 570918864 /nfs/dbraw/zinc/91/88/64/570918864.db2.gz QMMKTDPQPPXLGL-UHFFFAOYSA-N 0 0 352.434 4.725 50 0 FJAARN CCCn1nc(C)c2c1nc(-c1ccc(OC)c(OC)c1)cc2C(F)F ZINC000020605874 570921377 /nfs/dbraw/zinc/92/13/77/570921377.db2.gz HHPSSQFZCNHHRA-UHFFFAOYSA-N 0 0 361.392 4.772 50 0 FJAARN Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)c1 ZINC000046044725 570921493 /nfs/dbraw/zinc/92/14/93/570921493.db2.gz VKTLKWFMGBVMBI-FQEVSTJZSA-N 0 0 364.489 4.609 50 0 FJAARN CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@H]1C)Nc1ccccc1-2 ZINC000001001073 570924358 /nfs/dbraw/zinc/92/43/58/570924358.db2.gz VDVFMPOMKNVTKW-QWQRMKEZSA-N 0 0 368.506 4.773 50 0 FJAARN COc1cccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000010692210 570925946 /nfs/dbraw/zinc/92/59/46/570925946.db2.gz BMZZJKFKOPJMAV-NRFANRHFSA-N 0 0 370.452 4.738 50 0 FJAARN CN(Cc1c(F)cccc1Cl)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000021197616 570928780 /nfs/dbraw/zinc/92/87/80/570928780.db2.gz ZWWCLKXDDLRKIJ-UHFFFAOYSA-N 0 0 374.868 4.804 50 0 FJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3C)on2)cc1 ZINC000021791063 570934093 /nfs/dbraw/zinc/93/40/93/570934093.db2.gz NLRSMLRGEQCDJV-FQEVSTJZSA-N 0 0 362.429 4.636 50 0 FJAARN Cc1nn2c(nc(C)cc2NCCc2ccccc2)c1-c1ccc(F)cc1 ZINC000021798794 570934496 /nfs/dbraw/zinc/93/44/96/570934496.db2.gz JFLIPBNGOBISKB-UHFFFAOYSA-N 0 0 360.436 4.807 50 0 FJAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC ZINC000021962085 570936056 /nfs/dbraw/zinc/93/60/56/570936056.db2.gz QFQVZLJDGXHBHE-KRWDZBQOSA-N 0 0 362.477 4.523 50 0 FJAARN O=C(C=Cc1ccc2ccccc2n1)OCCCC(=O)c1ccc(F)cc1 ZINC000006121251 570936790 /nfs/dbraw/zinc/93/67/90/570936790.db2.gz CASMAIKNFLEVJJ-BUHFOSPRSA-N 0 0 363.388 4.593 50 0 FJAARN CCCn1c2ccccc2c2nnc(SC[C@@H]3CC3(Cl)Cl)nc21 ZINC000048235988 570937662 /nfs/dbraw/zinc/93/76/62/570937662.db2.gz BRYBYCCNZVUWTM-JTQLQIEISA-N 0 0 367.305 4.675 50 0 FJAARN CC/C=C(/C)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000048311102 570943878 /nfs/dbraw/zinc/94/38/78/570943878.db2.gz GCDNWJVHOHNDIO-ZDLGFXPLSA-N 0 0 359.473 4.571 50 0 FJAARN O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1 ZINC000022457708 570943929 /nfs/dbraw/zinc/94/39/29/570943929.db2.gz BTXZQSHCUWJJMI-UHFFFAOYSA-N 0 0 371.396 4.568 50 0 FJAARN O=C(NC1CC1)[C@H](Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000010844400 570944575 /nfs/dbraw/zinc/94/45/75/570944575.db2.gz HDPAKJZTGQJWDM-GOSISDBHSA-N 0 0 368.433 4.593 50 0 FJAARN CC(C)Cc1noc(CN2CCc3sccc3[C@@H]2c2cccs2)n1 ZINC000022532845 570946053 /nfs/dbraw/zinc/94/60/53/570946053.db2.gz SAKYDQAEPPRHBE-GOSISDBHSA-N 0 0 359.520 4.539 50 0 FJAARN CCC[C@@H](Nc1nc(-c2ccc(OC)c(OC)c2)no1)c1cccs1 ZINC000009726883 570947063 /nfs/dbraw/zinc/94/70/63/570947063.db2.gz FSPIWQSNMYKLAU-CYBMUJFWSA-N 0 0 359.451 4.769 50 0 FJAARN Cc1ccc(N(C(=O)c2ccc(OCC(F)(F)F)nc2)C(C)C)c(C)c1 ZINC000048333944 570947298 /nfs/dbraw/zinc/94/72/98/570947298.db2.gz QQGDULOYNYVABD-UHFFFAOYSA-N 0 0 366.383 4.695 50 0 FJAARN Cc1ccc(C)c(Nc2nc(N)c(C(=O)c3cccc(Cl)c3)s2)c1 ZINC000032948101 570951407 /nfs/dbraw/zinc/95/14/07/570951407.db2.gz KTJSVNDEJFSITK-UHFFFAOYSA-N 0 0 357.866 4.970 50 0 FJAARN Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3c(C)cc(C)cc3C)o2)c1 ZINC000022886018 570952149 /nfs/dbraw/zinc/95/21/49/570952149.db2.gz KWPJZMLZVKCYSS-MRXNPFEDSA-N 0 0 350.418 4.888 50 0 FJAARN CCCSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000032948316 570952242 /nfs/dbraw/zinc/95/22/42/570952242.db2.gz LGBYLNKVKWKGRP-UHFFFAOYSA-N 0 0 369.924 4.660 50 0 FJAARN FC(F)(F)c1cnc2c(c1)sc(-c1nc[nH]n1)c2-c1cccs1 ZINC000005757174 570954939 /nfs/dbraw/zinc/95/49/39/570954939.db2.gz QASVFDRZPXOVAN-UHFFFAOYSA-N 0 0 352.366 4.829 50 0 FJAARN COc1ccc(OC)c(NC(=O)Oc2cccc3c(Cl)ccnc23)c1 ZINC000048523977 570954971 /nfs/dbraw/zinc/95/49/71/570954971.db2.gz SODDYMDNDHRAJL-UHFFFAOYSA-N 0 0 358.781 4.516 50 0 FJAARN O=C(CCCc1cccs1)Nc1ccnn1Cc1ccccc1Cl ZINC000023053387 570955032 /nfs/dbraw/zinc/95/50/32/570955032.db2.gz RXTREHBCPBHUKS-UHFFFAOYSA-N 0 0 359.882 4.608 50 0 FJAARN Cc1ccc(Sc2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2)cc1C ZINC000014892427 570955304 /nfs/dbraw/zinc/95/53/04/570955304.db2.gz FHHDEDHFGOQVKA-UHFFFAOYSA-N 0 0 370.518 4.555 50 0 FJAARN C[C@@]1(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1(Cl)Cl ZINC000023042324 570955381 /nfs/dbraw/zinc/95/53/81/570955381.db2.gz NCBSALSPYGDOAZ-ZFWWWQNUSA-N 0 0 358.265 4.677 50 0 FJAARN C[C@H]1CCc2sc(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)cc2C1 ZINC000023074136 570955505 /nfs/dbraw/zinc/95/55/05/570955505.db2.gz VSLGBYVCDCRSBD-KSSFIOAISA-N 0 0 371.502 4.683 50 0 FJAARN COc1cccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)c1 ZINC000023126576 570956823 /nfs/dbraw/zinc/95/68/23/570956823.db2.gz WCYCCRHVVYXXGH-UHFFFAOYSA-N 0 0 366.421 4.514 50 0 FJAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc(C)cc(C)c1 ZINC000023177586 570958340 /nfs/dbraw/zinc/95/83/40/570958340.db2.gz ULJFCAPXDKCREG-UHFFFAOYSA-N 0 0 367.474 4.848 50 0 FJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(C)c(C)c2)n1 ZINC000049004549 570960968 /nfs/dbraw/zinc/96/09/68/570960968.db2.gz BYXZSLUUKVVTHS-UHFFFAOYSA-N 0 0 360.461 4.535 50 0 FJAARN Cc1cc(SCC(=O)Nc2ccccc2C)nc(-c2ccc(F)cc2)n1 ZINC000049007035 570961058 /nfs/dbraw/zinc/96/10/58/570961058.db2.gz MQEPRVKHNKXVEJ-UHFFFAOYSA-N 0 0 367.449 4.630 50 0 FJAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1OCc1cccc(Cl)c1 ZINC000049545033 570963664 /nfs/dbraw/zinc/96/36/64/570963664.db2.gz YTRUOSUDHFTRRB-MRXNPFEDSA-N 0 0 367.836 4.776 50 0 FJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000023499207 570964334 /nfs/dbraw/zinc/96/43/34/570964334.db2.gz KCTDEIHVFKYHQK-NSHDSACASA-N 0 0 354.281 4.645 50 0 FJAARN CCC(=O)Nc1ccc(C(=O)CSc2ccc3ccccc3n2)cc1 ZINC000005627022 570965229 /nfs/dbraw/zinc/96/52/29/570965229.db2.gz PFFOCLCBAWWYAF-UHFFFAOYSA-N 0 0 350.443 4.558 50 0 FJAARN O=C(CCC1CCCCC1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000005083951 570966995 /nfs/dbraw/zinc/96/69/95/570966995.db2.gz JQCDYXJGOAZYKV-UHFFFAOYSA-N 0 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FHZSJAPCMUOCAU-UHFFFAOYSA-N 0 0 363.360 4.977 50 0 FJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccccn1 ZINC000024364608 570974790 /nfs/dbraw/zinc/97/47/90/570974790.db2.gz RCEPDWUJHAZIQD-UHFFFAOYSA-N 0 0 363.364 4.785 50 0 FJAARN O=C(c1ccc(Br)o1)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000024467030 570976166 /nfs/dbraw/zinc/97/61/66/570976166.db2.gz QNGQAOZNXUYGJK-UHFFFAOYSA-N 0 0 374.156 4.654 50 0 FJAARN Cc1c2cc3c(cc2nc(-c2cccs2)c1C(=O)C(F)(F)F)OCO3 ZINC000024513194 570976992 /nfs/dbraw/zinc/97/69/92/570976992.db2.gz DUEZNWQDHQHWEN-UHFFFAOYSA-N 0 0 365.332 4.745 50 0 FJAARN CCC(=O)Nc1ccc(-c2nc3cc4c(cc3c(C)c2Cl)OCO4)cc1 ZINC000024513227 570977019 /nfs/dbraw/zinc/97/70/19/570977019.db2.gz XDTXRRWNZVTHLS-UHFFFAOYSA-N 0 0 368.820 4.941 50 0 FJAARN Cc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1 ZINC000024565458 570977949 /nfs/dbraw/zinc/97/79/49/570977949.db2.gz JUOZYFIJKRPQCV-CYBMUJFWSA-N 0 0 356.422 4.664 50 0 FJAARN C[C@H](c1ccccc1)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000024686840 570979665 /nfs/dbraw/zinc/97/96/65/570979665.db2.gz AYJUWMJNTQFETG-CYBMUJFWSA-N 0 0 361.367 4.948 50 0 FJAARN O=C(c1ccc2ncsc2c1)N(Cc1ccco1)Cc1cccs1 ZINC000024706697 570980140 /nfs/dbraw/zinc/98/01/40/570980140.db2.gz HWTHMUGULCGSQS-UHFFFAOYSA-N 0 0 354.456 4.793 50 0 FJAARN O=C(NCc1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 ZINC000024716347 570980621 /nfs/dbraw/zinc/98/06/21/570980621.db2.gz LYKSARZIIXFHLY-UHFFFAOYSA-N 0 0 358.466 4.745 50 0 FJAARN O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)C1(c2ccccc2)CC1 ZINC000024745407 570981005 /nfs/dbraw/zinc/98/10/05/570981005.db2.gz YTSJVYAIWOSLOC-UHFFFAOYSA-N 0 0 353.425 4.672 50 0 FJAARN O=C(CCc1cccnc1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000024782860 570982584 /nfs/dbraw/zinc/98/25/84/570982584.db2.gz USEXPZRJZUFMJI-UHFFFAOYSA-N 0 0 359.454 4.930 50 0 FJAARN CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)c3ccccn3)cs2)cc1 ZINC000024828749 570982948 /nfs/dbraw/zinc/98/29/48/570982948.db2.gz ZWFOPRWMQCLKJO-CQSZACIVSA-N 0 0 351.475 4.820 50 0 FJAARN Cc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c2cccnc12 ZINC000024832725 570983345 /nfs/dbraw/zinc/98/33/45/570983345.db2.gz ZVNKDSGBVJHMGS-UHFFFAOYSA-N 0 0 355.441 4.889 50 0 FJAARN Cc1cccc(N(Cc2ccc(Cl)cc2Cl)C2=NC(=O)CS2)c1 ZINC000024838973 570983892 /nfs/dbraw/zinc/98/38/92/570983892.db2.gz YSIYDCBOAPYKSK-UHFFFAOYSA-N 0 0 365.285 4.938 50 0 FJAARN Cc1ccc(C)c([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 ZINC000024961379 570986910 /nfs/dbraw/zinc/98/69/10/570986910.db2.gz JRHIETNTOCLYCZ-MRXNPFEDSA-N 0 0 366.436 4.908 50 0 FJAARN CC(=O)N(c1nnc(SCc2ccc(C(C)(C)C)cc2)s1)C1CC1 ZINC000025053419 570989642 /nfs/dbraw/zinc/98/96/42/570989642.db2.gz KOZCLYKBOVDHGA-UHFFFAOYSA-N 0 0 361.536 4.643 50 0 FJAARN CCCn1ccnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000025059038 570990143 /nfs/dbraw/zinc/99/01/43/570990143.db2.gz VLUAIQMLPYNAIB-MRXNPFEDSA-N 0 0 365.502 4.554 50 0 FJAARN O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025087624 570990713 /nfs/dbraw/zinc/99/07/13/570990713.db2.gz QQEQROZDOXMQPS-GOSISDBHSA-N 0 0 365.864 4.577 50 0 FJAARN O=C(Nc1ccc2c(c1)CCO2)c1cc(-c2ccco2)nc2ccccc21 ZINC000025086745 570990740 /nfs/dbraw/zinc/99/07/40/570990740.db2.gz GXDOTTDLWKAKNV-UHFFFAOYSA-N 0 0 356.381 4.682 50 0 FJAARN CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc3ccccc32)cc1 ZINC000072238447 570993707 /nfs/dbraw/zinc/99/37/07/570993707.db2.gz UXKIAEHPXNDGOG-QFIPXVFZSA-N 0 0 372.468 4.646 50 0 FJAARN O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccccc2[nH]1 ZINC000072243358 570996954 /nfs/dbraw/zinc/99/69/54/570996954.db2.gz KJWYXZDBCNYWPA-UHFFFAOYSA-N 0 0 367.861 4.875 50 0 FJAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1nc(C2CC2)cs1 ZINC000025563605 570997198 /nfs/dbraw/zinc/99/71/98/570997198.db2.gz OJILQZBTSKUEPY-UHFFFAOYSA-N 0 0 372.519 4.509 50 0 FJAARN C[C@@]1(c2ccncc2)Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 ZINC000025572946 570997438 /nfs/dbraw/zinc/99/74/38/570997438.db2.gz JKTAGXCCYMLMKN-IRLDBZIGSA-N 0 0 359.404 4.637 50 0 FJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccncc1 ZINC000025590127 570997612 /nfs/dbraw/zinc/99/76/12/570997612.db2.gz 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COc1ccc(-c2oc3cc(C)ccc3c(=O)c2OCCOC(C)C)cc1 ZINC000001910144 209392055 /nfs/dbraw/zinc/39/20/55/209392055.db2.gz MXCYCWREJGJJOS-UHFFFAOYSA-N 0 0 368.429 4.581 50 0 FJAARN CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1 ZINC000001941423 209391841 /nfs/dbraw/zinc/39/18/41/209391841.db2.gz JNHBWNMMQXDUNJ-UHFFFAOYSA-N 0 0 373.424 4.580 50 0 FJAARN Cc1nn(C(=O)COc2ccc(C)cc2)c(C)c1Sc1ccc(C)cc1 ZINC000001465223 209390806 /nfs/dbraw/zinc/39/08/06/209390806.db2.gz PJHADIJALVYRCF-UHFFFAOYSA-N 0 0 366.486 4.987 50 0 FJAARN CCOc1ccc(N2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000001248139 209387957 /nfs/dbraw/zinc/38/79/57/209387957.db2.gz JMYPJJJGXVVQOD-WJDWOHSUSA-N 0 0 359.834 4.980 50 0 FJAARN OCc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000001114226 209386483 /nfs/dbraw/zinc/38/64/83/209386483.db2.gz YCUXIZKDBKOYGY-UHFFFAOYSA-N 0 0 362.050 4.827 50 0 FJAARN OCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000001113091 209386542 /nfs/dbraw/zinc/38/65/42/209386542.db2.gz MIHZZVNEBPGPPK-UHFFFAOYSA-N 0 0 362.050 4.827 50 0 FJAARN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 ZINC000001218607 209385722 /nfs/dbraw/zinc/38/57/22/209385722.db2.gz OMKGDDMUTKPTRS-UHFFFAOYSA-N 0 0 352.242 4.947 50 0 FJAARN c1c(-c2ccccc2)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000000948793 209384123 /nfs/dbraw/zinc/38/41/23/209384123.db2.gz SMHAWQNGWXLKNL-UHFFFAOYSA-N 0 0 361.426 4.699 50 0 FJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3C)o2)cc1C ZINC000000892220 209379533 /nfs/dbraw/zinc/37/95/33/209379533.db2.gz PCKBLDIOSKMDPJ-HNNXBMFYSA-N 0 0 367.474 4.781 50 0 FJAARN Cc1c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cnn1-c1ccccc1 ZINC000000632870 209374840 /nfs/dbraw/zinc/37/48/40/209374840.db2.gz HYELPRHZEGCNDS-UHFFFAOYSA-N 0 0 370.334 4.917 50 0 FJAARN O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000000668318 209374208 /nfs/dbraw/zinc/37/42/08/209374208.db2.gz VWAGFQLUSBEQNF-XSFVSMFZSA-N 0 0 373.383 4.749 50 0 FJAARN CCn1c2ccc3ccccc3c2s/c1=N/C(=O)c1cccc(F)c1 ZINC000008654197 219865591 /nfs/dbraw/zinc/86/55/91/219865591.db2.gz NKAMRABPOXMXAZ-LSDHQDQOSA-N 0 0 350.418 4.756 50 0 FJAARN CC(C)Oc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000008673472 219865888 /nfs/dbraw/zinc/86/58/88/219865888.db2.gz UONJFMUZFKJAKE-UHFFFAOYSA-N 0 0 364.445 4.635 50 0 FJAARN Cc1ccc(-c2nc(C(=O)Nc3c(C)cc(C)nc3C)cs2)c(C)c1 ZINC000125468389 209361463 /nfs/dbraw/zinc/36/14/63/209361463.db2.gz UFKFIEYCORBKEZ-UHFFFAOYSA-N 0 0 351.475 5.000 50 0 FJAARN COCC[C@H]1CCCCN1C(=O)Nc1ccc(/C=C/c2ccccn2)cc1 ZINC000299757834 223082726 /nfs/dbraw/zinc/08/27/26/223082726.db2.gz KDZNYXFVUHGEQW-OGECGYFKSA-N 0 0 365.477 4.675 50 0 FJAARN CSc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000008718856 219867566 /nfs/dbraw/zinc/86/75/66/219867566.db2.gz PKEJGXMLQSFXIF-NSHDSACASA-N 0 0 361.417 4.644 50 0 FJAARN CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 ZINC000008903591 219871440 /nfs/dbraw/zinc/87/14/40/219871440.db2.gz CQCUSNRYTMVUHY-UHFFFAOYSA-N 0 0 374.849 4.767 50 0 FJAARN O=C(Nc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000008739629 219868421 /nfs/dbraw/zinc/86/84/21/219868421.db2.gz VENGYPNOQYXRLX-UHFFFAOYSA-N 0 0 366.233 4.551 50 0 FJAARN COc1ccc2oc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c2c1 ZINC000008748980 219869005 /nfs/dbraw/zinc/86/90/05/219869005.db2.gz CGPLLVPRDJTZGH-UHFFFAOYSA-N 0 0 363.335 4.699 50 0 FJAARN Cc1cccc(-c2nnc(SCc3coc(-c4cccs4)n3)n2C)c1 ZINC000008748412 219869077 /nfs/dbraw/zinc/86/90/77/219869077.db2.gz NHDMASOUXUISJO-UHFFFAOYSA-N 0 0 368.487 4.799 50 0 FJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000048373913 209331758 /nfs/dbraw/zinc/33/17/58/209331758.db2.gz PZTJOWXHZIPJMJ-HNNXBMFYSA-N 0 0 373.880 4.528 50 0 FJAARN Fc1ccc(COc2cccc(CNCc3nc4ccccc4[nH]3)c2)cc1 ZINC000113398417 209336260 /nfs/dbraw/zinc/33/62/60/209336260.db2.gz RFBFHSCNWNEYHJ-UHFFFAOYSA-N 0 0 361.420 4.571 50 0 FJAARN Cc1ccc(C)c(Nc2nc(Nc3ccc(F)cc3)nc3nccnc32)c1 ZINC000009075025 219874799 /nfs/dbraw/zinc/87/47/99/219874799.db2.gz SFKAJWDPEXCQPW-UHFFFAOYSA-N 0 0 360.396 4.663 50 0 FJAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)Oc3ccccc3)ccc1O2 ZINC000009134925 219875092 /nfs/dbraw/zinc/87/50/92/219875092.db2.gz WUVGRQOVJKPVOI-UHFFFAOYSA-N 0 0 360.369 4.964 50 0 FJAARN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 ZINC000009134505 219875237 /nfs/dbraw/zinc/87/52/37/219875237.db2.gz FCWLBUOJVCNMDU-UHFFFAOYSA-N 0 0 358.397 4.630 50 0 FJAARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)o1 ZINC000009204740 219876184 /nfs/dbraw/zinc/87/61/84/219876184.db2.gz IYWALIYYRNMSBW-UHFFFAOYSA-N 0 0 373.836 4.751 50 0 FJAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ncccn2)cc1 ZINC000048202721 209331485 /nfs/dbraw/zinc/33/14/85/209331485.db2.gz JHJRVFOIOMUPBU-UHFFFAOYSA-N 0 0 374.227 4.757 50 0 FJAARN O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000048164048 209331492 /nfs/dbraw/zinc/33/14/92/209331492.db2.gz NJGSFFGCFLAFAT-PKOBYXMFSA-N 0 0 360.457 4.654 50 0 FJAARN O=C(NCCc1cccs1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000048302106 209331020 /nfs/dbraw/zinc/33/10/20/209331020.db2.gz FAZYAJVIGRMJLV-KRWDZBQOSA-N 0 0 360.479 4.580 50 0 FJAARN O=C(/C=C/c1cccc2cccnc12)Oc1ccc(-c2nccs2)cc1 ZINC000048290535 209330877 /nfs/dbraw/zinc/33/08/77/209330877.db2.gz WLNMUSFQVUESCP-DHZHZOJOSA-N 0 0 358.422 4.977 50 0 FJAARN Cc1cccn2cc(-c3ccc(NC(=O)CCc4ccccc4O)cc3)nc12 ZINC000048344050 209330047 /nfs/dbraw/zinc/33/00/47/209330047.db2.gz YPILRJMTQKZAPP-UHFFFAOYSA-N 0 0 371.440 4.587 50 0 FJAARN CCOc1cc(CNC(=O)Nc2ccccc2Cl)ccc1OC(F)F ZINC000047323072 209329433 /nfs/dbraw/zinc/32/94/33/209329433.db2.gz VZOKYLQLZWPSRO-UHFFFAOYSA-N 0 0 370.783 4.662 50 0 FJAARN CCc1ccc(CC)c(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)c1 ZINC000009341637 219878599 /nfs/dbraw/zinc/87/85/99/219878599.db2.gz IDYNBOJFWVYZQW-UHFFFAOYSA-N 0 0 355.825 4.767 50 0 FJAARN Cc1cc(C)cc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000009737432 219885747 /nfs/dbraw/zinc/88/57/47/219885747.db2.gz MEPCDGAGLXPTKP-QFIPXVFZSA-N 0 0 370.452 4.514 50 0 FJAARN CCCc1ccc(Oc2ncnc3sc(C(=O)OCC)c(C)c32)cc1 ZINC000009777182 219886031 /nfs/dbraw/zinc/88/60/31/219886031.db2.gz NPMGZUYQAJHGKS-UHFFFAOYSA-N 0 0 356.447 4.921 50 0 FJAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc[nH]3)s2)cc1Cl ZINC000010029534 219890704 /nfs/dbraw/zinc/89/07/04/219890704.db2.gz SXWFXFQLETUFQF-UHFFFAOYSA-N 0 0 364.883 4.547 50 0 FJAARN O=C(Nc1c(F)cccc1F)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000106592279 209273859 /nfs/dbraw/zinc/27/38/59/209273859.db2.gz UKIBNTLPGCFULU-UHFFFAOYSA-N 0 0 368.170 4.710 50 0 FJAARN CC[C@H](Sc1cc(C)ncn1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000011903320 219941433 /nfs/dbraw/zinc/94/14/33/219941433.db2.gz IHZDULACKCQJPT-ZDUSSCGKSA-N 0 0 356.278 4.601 50 0 FJAARN Cc1noc2c1[C@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000102726774 209240717 /nfs/dbraw/zinc/24/07/17/209240717.db2.gz WBSCCSKSHRJOCG-YWZLYKJASA-N 0 0 373.412 4.691 50 0 FJAARN Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 ZINC000012042941 219949162 /nfs/dbraw/zinc/94/91/62/219949162.db2.gz NILPBGJILRQCPL-PZJWPPBQSA-N 0 0 361.832 4.977 50 0 FJAARN Cc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(F)cc3)CC2=Nc2ncnn21 ZINC000102657029 209239881 /nfs/dbraw/zinc/23/98/81/209239881.db2.gz MFCLOOGMGDEZEY-VFNWGFHPSA-N 0 0 374.419 4.791 50 0 FJAARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccccc2)C1 ZINC000102676613 209239955 /nfs/dbraw/zinc/23/99/55/209239955.db2.gz DOHOEAWCTMJOFP-IERDGZPVSA-N 0 0 356.429 4.652 50 0 FJAARN CN(C)C(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc(F)cc1 ZINC000102685207 209239180 /nfs/dbraw/zinc/23/91/80/209239180.db2.gz ZCFKQWXXXZVNGJ-PEZBUJJGSA-N 0 0 360.432 4.953 50 0 FJAARN Cc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000102610081 209237457 /nfs/dbraw/zinc/23/74/57/209237457.db2.gz BIHVFDNNTZQFIO-IIBYNOLFSA-N 0 0 356.429 4.652 50 0 FJAARN CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(Oc3ccc(F)cc3)cc1)C2 ZINC000101815396 209231394 /nfs/dbraw/zinc/23/13/94/209231394.db2.gz DPAYGWLKRGUZEQ-QVDMIQRCSA-N 0 0 370.424 4.507 50 0 FJAARN O=C(c1ccccc1F)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 ZINC000012190426 219964635 /nfs/dbraw/zinc/96/46/35/219964635.db2.gz DQWSRANPQWBDAL-UHFFFAOYSA-N 0 0 353.437 4.809 50 0 FJAARN CSc1ccccc1C(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C ZINC000012197124 219966129 /nfs/dbraw/zinc/96/61/29/219966129.db2.gz KKEVFAMPWSTUGU-HNNXBMFYSA-N 0 0 365.502 4.702 50 0 FJAARN CN(Cc1ccccc1Cl)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173436 209222039 /nfs/dbraw/zinc/22/20/39/209222039.db2.gz DIVPTKOHHBYOFV-NRFANRHFSA-N 0 0 362.860 4.866 50 0 FJAARN Brc1ccc(CSc2nnc(-c3cccs3)o2)cc1 ZINC000012248912 219973298 /nfs/dbraw/zinc/97/32/98/219973298.db2.gz OPFVGHSMIGJXQZ-UHFFFAOYSA-N 0 0 353.266 4.853 50 0 FJAARN O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC000098212171 209207099 /nfs/dbraw/zinc/20/70/99/209207099.db2.gz OHQKGQRCDGGTKU-INIZCTEOSA-N 0 0 371.799 4.506 50 0 FJAARN NC(=O)c1c2c(nc3ccccc31)/C(=C/c1c(F)cccc1Cl)CC2 ZINC000098054497 209203327 /nfs/dbraw/zinc/20/33/27/209203327.db2.gz STUAKQNRSBEADM-ZHACJKMWSA-N 0 0 352.796 4.613 50 0 FJAARN CCOc1ccc(-n2ccnc(SCc3cccc(Cl)c3)c2=O)cc1 ZINC000012361016 219985168 /nfs/dbraw/zinc/98/51/68/219985168.db2.gz LARRPZFNBSXSEL-UHFFFAOYSA-N 0 0 372.877 4.577 50 0 FJAARN C[C@H](OC(=O)c1c2ccccc2nc2c1CCCC2)C(=O)c1ccccc1 ZINC000012374332 219986528 /nfs/dbraw/zinc/98/65/28/219986528.db2.gz NDJFXUGRTVIZFQ-HNNXBMFYSA-N 0 0 359.425 4.542 50 0 FJAARN COc1ccc(Cn2nc(C3CC3)nc2-c2c(F)cccc2Cl)cc1 ZINC000097742984 209194598 /nfs/dbraw/zinc/19/45/98/209194598.db2.gz IMMWJVJTZUSXPE-UHFFFAOYSA-N 0 0 357.816 4.672 50 0 FJAARN COc1cccc([C@H](C)N(C)C(=O)c2cc3cccc(Cl)c3n2C)c1 ZINC000097694870 209193262 /nfs/dbraw/zinc/19/32/62/209193262.db2.gz TYRLJNBOQKOHOC-ZDUSSCGKSA-N 0 0 356.853 4.674 50 0 FJAARN CC(=O)c1cc(CC(=O)N2CCC(Sc3ccc(C)cc3)CC2)cs1 ZINC000097674429 209191619 /nfs/dbraw/zinc/19/16/19/209191619.db2.gz SRBWWYHCBVETSW-UHFFFAOYSA-N 0 0 373.543 4.585 50 0 FJAARN Cc1ccc(C(C)C)c(OCCCCn2c(CO)nc3ccccc32)c1 ZINC000012447308 219997607 /nfs/dbraw/zinc/99/76/07/219997607.db2.gz LMSCLALLYDIISV-UHFFFAOYSA-N 0 0 352.478 4.820 50 0 FJAARN Nc1nc(CN2CCC[C@H]2c2cccs2)nc2sc3c(c21)CCCC3 ZINC000097495038 209182654 /nfs/dbraw/zinc/18/26/54/209182654.db2.gz SOBABHSOVQFVGS-ZDUSSCGKSA-N 0 0 370.547 4.551 50 0 FJAARN O=C(Nc1cc(Cl)cc2cccnc21)c1cnc(Cl)c(Cl)c1 ZINC000012527271 220003034 /nfs/dbraw/zinc/00/30/34/220003034.db2.gz HVADYDBASFKBBH-UHFFFAOYSA-N 0 0 352.608 4.842 50 0 FJAARN O=C(C[C@@H](C(=O)c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000012531174 220003156 /nfs/dbraw/zinc/00/31/56/220003156.db2.gz YKTJUXCDHSIMIO-SFHVURJKSA-N 0 0 354.409 4.802 50 0 FJAARN COc1ccc(OC)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000012523850 220003352 /nfs/dbraw/zinc/00/33/52/220003352.db2.gz ZTVZNZYKYSJZDJ-JOCHJYFZSA-N 0 0 357.413 4.693 50 0 FJAARN Cc1cccc2nc(CNc3ccccc3Sc3ccccc3)cc(=O)n12 ZINC000012532704 220003664 /nfs/dbraw/zinc/00/36/64/220003664.db2.gz UTLSDJSPGVWBQF-UHFFFAOYSA-N 0 0 373.481 4.766 50 0 FJAARN CC(=O)N(c1nc(CN2CCc3ccccc32)cs1)c1ccccc1F ZINC000012534506 220003922 /nfs/dbraw/zinc/00/39/22/220003922.db2.gz QUCCSRRUVBJQSS-UHFFFAOYSA-N 0 0 367.449 4.530 50 0 FJAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000012563572 220008122 /nfs/dbraw/zinc/00/81/22/220008122.db2.gz VSBAPKUXOZFGTL-OAQYLSRUSA-N 0 0 370.518 4.655 50 0 FJAARN c1ccc2c(c1)cccc2CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000012578403 220008875 /nfs/dbraw/zinc/00/88/75/220008875.db2.gz YXILOLQRVPXPMC-HNNXBMFYSA-N 0 0 357.504 4.575 50 0 FJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000012583025 220009615 /nfs/dbraw/zinc/00/96/15/220009615.db2.gz UNZCHMPHYXAURC-PHIMTYICSA-N 0 0 354.928 4.831 50 0 FJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012578384 220010006 /nfs/dbraw/zinc/01/00/06/220010006.db2.gz NNGWOQSMXMWAQJ-INIZCTEOSA-N 0 0 359.351 4.559 50 0 FJAARN C[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1Br ZINC000012599169 220011947 /nfs/dbraw/zinc/01/19/47/220011947.db2.gz JDAXNCZPQBVVKB-SNVBAGLBSA-N 0 0 361.264 4.550 50 0 FJAARN Cc1ccc(C)c(-n2cnn(CN3CCC[C@H]3c3ccccc3)c2=S)c1 ZINC000012597691 220012339 /nfs/dbraw/zinc/01/23/39/220012339.db2.gz SDVLHOIQZZJTQW-IBGZPJMESA-N 0 0 364.518 4.815 50 0 FJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000012602211 220012826 /nfs/dbraw/zinc/01/28/26/220012826.db2.gz HIIMVKVZZAEENL-CABCVRRESA-N 0 0 372.490 4.554 50 0 FJAARN Cc1nc(S[C@H](C)C(=O)Nc2ccccc2F)n(C2CCCC2)c1C ZINC000012603987 220013713 /nfs/dbraw/zinc/01/37/13/220013713.db2.gz UEXNRBUICYSXQS-CQSZACIVSA-N 0 0 361.486 4.873 50 0 FJAARN Cc1ccc(CSCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000012623638 220014426 /nfs/dbraw/zinc/01/44/26/220014426.db2.gz GHQIHISDVFLDNZ-UHFFFAOYSA-N 0 0 353.409 4.563 50 0 FJAARN COc1ccc2c(cc(C(=O)N3CCCCC[C@@H]3c3ccco3)n2C)c1 ZINC000097217395 209176273 /nfs/dbraw/zinc/17/62/73/209176273.db2.gz ARNHZRHOQMKDKG-GOSISDBHSA-N 0 0 352.434 4.537 50 0 FJAARN COc1ccc2c(cc(C(=O)N3CCCCC[C@H]3c3ccco3)n2C)c1 ZINC000097217397 209176069 /nfs/dbraw/zinc/17/60/69/209176069.db2.gz ARNHZRHOQMKDKG-SFHVURJKSA-N 0 0 352.434 4.537 50 0 FJAARN 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362.498 4.686 50 0 FJAARN CN(C(=O)c1cnc(N2CCCCC2)c2ccccc12)C1CCCCC1 ZINC000033073126 132930203 /nfs/dbraw/zinc/93/02/03/132930203.db2.gz JWXUJVQLKYSKIW-UHFFFAOYSA-N 0 0 351.494 4.630 50 0 FJAARN Clc1ccc(OCc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033255370 132931410 /nfs/dbraw/zinc/93/14/10/132931410.db2.gz GWJMPAAHCFSMMS-UHFFFAOYSA-N 0 0 369.852 4.959 50 0 FJAARN CN(C(=O)Nc1ccc(SCc2ccco2)cc1)C1CCSCC1 ZINC000095519246 209073148 /nfs/dbraw/zinc/07/31/48/209073148.db2.gz LKXZMNUMUGWCHL-UHFFFAOYSA-N 0 0 362.520 4.931 50 0 FJAARN Cc1cccc(NC(=O)c2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1 ZINC000033272146 136117664 /nfs/dbraw/zinc/11/76/64/136117664.db2.gz MQYGRNWKDBCZKA-UHFFFAOYSA-N 0 0 372.472 4.695 50 0 FJAARN FC(F)(F)c1cccc(CN2CCN(c3ccccc3Cl)CC2)c1 ZINC000055543202 136126970 /nfs/dbraw/zinc/12/69/70/136126970.db2.gz MNRHFSMCMCONPU-UHFFFAOYSA-N 0 0 354.803 4.681 50 0 FJAARN CSc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000055543732 136126980 /nfs/dbraw/zinc/12/69/80/136126980.db2.gz 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4.812 50 0 FJAARN COc1ccc2c(C)c(C(=O)N(C)Cc3cccc4ncccc34)oc2c1 ZINC000077299735 221603305 /nfs/dbraw/zinc/60/33/05/221603305.db2.gz TYNUXSKCXBFJTI-UHFFFAOYSA-N 0 0 360.413 4.570 50 0 FJAARN Cc1ccc(Oc2ccccc2)c(NC(=O)CSc2ccncc2)c1 ZINC000075108750 221573138 /nfs/dbraw/zinc/57/31/38/221573138.db2.gz YBUQHTQQXYCBLA-UHFFFAOYSA-N 0 0 350.443 4.913 50 0 FJAARN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Br)cc1Cl ZINC000078674883 221671923 /nfs/dbraw/zinc/67/19/23/221671923.db2.gz JVYQNANUMZXLKU-YGRLFVJLSA-N 0 0 360.679 4.636 50 0 FJAARN CCO[C@@H](C)c1nc(C(=O)N2CCCC(C)(C)c3ccccc32)cs1 ZINC000095444872 221905341 /nfs/dbraw/zinc/90/53/41/221905341.db2.gz DWWWZBLCBOMEIM-AWEZNQCLSA-N 0 0 358.507 4.959 50 0 FJAARN O=C(Nc1cccs1)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096119710 222033671 /nfs/dbraw/zinc/03/36/71/222033671.db2.gz FQERTNNQCBVWNE-UHFFFAOYSA-N 0 0 366.402 4.626 50 0 FJAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cccs1 ZINC000096119739 222033700 /nfs/dbraw/zinc/03/37/00/222033700.db2.gz 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222109567 /nfs/dbraw/zinc/10/95/67/222109567.db2.gz AACFAQRGRDSSFW-UHFFFAOYSA-N 0 0 352.434 4.913 50 0 FJAARN COc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C)nn2C2CCCC2)c1 ZINC000096133710 222039991 /nfs/dbraw/zinc/03/99/91/222039991.db2.gz MONNEVDAWJQSPM-IBGZPJMESA-N 0 0 368.481 4.684 50 0 FJAARN O=C(Nc1ccc2[nH]ccc2c1)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000096162978 222061113 /nfs/dbraw/zinc/06/11/13/222061113.db2.gz ZDNOGSGGHUGNFJ-IBGZPJMESA-N 0 0 363.461 4.893 50 0 FJAARN O=C(/C=C\c1c(F)cccc1F)O[C@H](c1ccccc1)c1ccccn1 ZINC000096179235 222068383 /nfs/dbraw/zinc/06/83/83/222068383.db2.gz QTOUACYZSPYHPJ-BIGNBACZSA-N 0 0 351.352 4.706 50 0 FJAARN Cc1ccc(C2(CNC(=O)Nc3ccc(C(C)C)cc3)CCOCC2)cc1 ZINC000096182508 222069186 /nfs/dbraw/zinc/06/91/86/222069186.db2.gz WCNHRHZLPBQXDR-UHFFFAOYSA-N 0 0 366.505 4.988 50 0 FJAARN COc1ccccc1-c1nn2c(nnc2-c2oc3ccccc3c2C)s1 ZINC000096194165 222070496 /nfs/dbraw/zinc/07/04/96/222070496.db2.gz PDDKEPPTELVXSW-UHFFFAOYSA-N 0 0 362.414 4.583 50 0 FJAARN CC(C)c1c(C(=O)N2CCCCC2)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000096206145 222075723 /nfs/dbraw/zinc/07/57/23/222075723.db2.gz GXGGIWRSWOXUDG-UHFFFAOYSA-N 0 0 366.292 4.929 50 0 FJAARN Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)n1 ZINC000096318418 222115017 /nfs/dbraw/zinc/11/50/17/222115017.db2.gz FUJRFRPOCMASCS-UHFFFAOYSA-N 0 0 372.403 4.634 50 0 FJAARN Cc1ccoc1-c1nnc(CSc2ccc(Br)cc2)o1 ZINC000096345948 222115883 /nfs/dbraw/zinc/11/58/83/222115883.db2.gz DDIVHNSFXZRRRN-UHFFFAOYSA-N 0 0 351.225 4.693 50 0 FJAARN CCCOc1cccc(C(=O)Nc2ccccc2-c2nc(C(C)C)no2)c1 ZINC000096346510 222116692 /nfs/dbraw/zinc/11/66/92/222116692.db2.gz MFIOIDFCZVRQIP-UHFFFAOYSA-N 0 0 365.433 4.901 50 0 FJAARN CCCCOc1ccc(NC(=O)NC[C@@H](OC)c2cccc(F)c2)cc1 ZINC000096388904 222118354 /nfs/dbraw/zinc/11/83/54/222118354.db2.gz FUVJLZMQWSKOBP-LJQANCHMSA-N 0 0 360.429 4.514 50 0 FJAARN CO[C@@](C)(CNC(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000096392561 222118823 /nfs/dbraw/zinc/11/88/23/222118823.db2.gz YVDYOLQCKHJCGM-KRWDZBQOSA-N 0 0 371.786 4.650 50 0 FJAARN Cc1c(NC(=O)/C=C\c2ccc(Cl)cc2)cccc1C(=O)N1CCCC1 ZINC000096402112 222119469 /nfs/dbraw/zinc/11/94/69/222119469.db2.gz VJCRPBUJLUFWKO-XFXZXTDPSA-N 0 0 368.864 4.536 50 0 FJAARN Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)Nc1cccc(Cl)c1 ZINC000096568799 222124734 /nfs/dbraw/zinc/12/47/34/222124734.db2.gz QZPMRHIATXQLEE-FPLPWBNLSA-N 0 0 352.265 4.806 50 0 FJAARN COc1cc(/C=C\C(=O)N(C)[C@H](C)c2ccccc2)ccc1OC(C)C ZINC000096859040 222135196 /nfs/dbraw/zinc/13/51/96/222135196.db2.gz MJWAJTLALXZFBJ-BHEFUSTPSA-N 0 0 353.462 4.715 50 0 FJAARN COc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(cccc2Cl)n1C ZINC000097546471 222189842 /nfs/dbraw/zinc/18/98/42/222189842.db2.gz SQTXKYIOWUYIMR-CYBMUJFWSA-N 0 0 356.853 4.674 50 0 FJAARN CN(C(=O)/C=C\c1cccc(Br)c1)[C@H]1CCc2ccccc21 ZINC000096988803 222147752 /nfs/dbraw/zinc/14/77/52/222147752.db2.gz JUSGUIFCHBOICT-DVESRUBUSA-N 0 0 356.263 4.608 50 0 FJAARN C[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)c1nc(C(C)(C)C)no1 ZINC000096996628 222148933 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CC(C)c1nc2cc(NC(=O)NCCc3csc(C(C)C)n3)ccc2[nH]1 ZINC000097679763 222205401 /nfs/dbraw/zinc/20/54/01/222205401.db2.gz BPJXBPBXCISWHP-UHFFFAOYSA-N 0 0 371.510 4.630 50 0 FJAARN COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([C@@H]2CCCO2)s1 ZINC000097773012 222211636 /nfs/dbraw/zinc/21/16/36/222211636.db2.gz FJBBKPMMIUSJMF-HNNXBMFYSA-N 0 0 365.882 4.534 50 0 FJAARN Cc1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000098004431 222220050 /nfs/dbraw/zinc/22/00/50/222220050.db2.gz PMBCCPIMIZRKLP-XNTDXEJSSA-N 0 0 373.840 4.975 50 0 FJAARN O=c1oc2ccccc2cc1-c1cn2cnc3sc4c(c3c2n1)CCCC4 ZINC000098212110 222231343 /nfs/dbraw/zinc/23/13/43/222231343.db2.gz WIJQMNUSYUUZSH-UHFFFAOYSA-N 0 0 373.437 4.596 50 0 FJAARN CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000100316173 222241651 /nfs/dbraw/zinc/24/16/51/222241651.db2.gz ICTRNWORWUHRTE-OAQYLSRUSA-N 0 0 354.409 4.575 50 0 FJAARN O=c1c2ccc(Cl)cc2[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1 ZINC000100404456 222243022 /nfs/dbraw/zinc/24/30/22/222243022.db2.gz 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CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c1 ZINC000071749819 208773998 /nfs/dbraw/zinc/77/39/98/208773998.db2.gz DRPLKLPIOUAVID-SFHVURJKSA-N 0 0 356.485 4.867 50 0 FJAARN Cc1occc1C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000023074825 220410840 /nfs/dbraw/zinc/41/08/40/220410840.db2.gz PHDPYDDBBZWKAQ-HNNXBMFYSA-N 0 0 362.429 4.674 50 0 FJAARN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000071768131 208779901 /nfs/dbraw/zinc/77/99/01/208779901.db2.gz PXCHMZYXEIRGNI-UHFFFAOYSA-N 0 0 363.845 4.505 50 0 FJAARN CC(=O)c1c(C)cc(C)c(CSCC(=O)N2CCc3ccccc32)c1C ZINC000023415869 220427230 /nfs/dbraw/zinc/42/72/30/220427230.db2.gz ITYIQKPSYPTDNI-UHFFFAOYSA-N 0 0 367.514 4.637 50 0 FJAARN Cc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1-c1ccccn1 ZINC000024031618 220438463 /nfs/dbraw/zinc/43/84/63/220438463.db2.gz SEAHDBZAPOAYEC-UHFFFAOYSA-N 0 0 363.364 4.785 50 0 FJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC=CCC1 ZINC000023532106 220429224 /nfs/dbraw/zinc/42/92/24/220429224.db2.gz 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Cc1noc(C)c1CCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000031336895 220637308 /nfs/dbraw/zinc/63/73/08/220637308.db2.gz UHMKKFQQFNDENH-LLVKDONJSA-N 0 0 355.265 4.750 50 0 FJAARN COc1ccc(F)cc1C(=O)CSc1nc2ccccc2n1C(F)F ZINC000031782086 220643150 /nfs/dbraw/zinc/64/31/50/220643150.db2.gz BATYYZIXZGVMNC-UHFFFAOYSA-N 0 0 366.364 4.554 50 0 FJAARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(F)cc2F)o1 ZINC000031712825 220643182 /nfs/dbraw/zinc/64/31/82/220643182.db2.gz YZSLSLNUFGDIFO-UHFFFAOYSA-N 0 0 369.327 4.557 50 0 FJAARN COCCn1c2ccc(Cl)cc2nc1S[C@H](C)c1nccs1 ZINC000096010384 209096694 /nfs/dbraw/zinc/09/66/94/209096694.db2.gz MEIZDIHIPQSCHZ-SNVBAGLBSA-N 0 0 353.900 4.646 50 0 FJAARN C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000032719104 220671739 /nfs/dbraw/zinc/67/17/39/220671739.db2.gz ULYCUDJHFBEGOP-CHWSQXEVSA-N 0 0 351.874 4.880 50 0 FJAARN Cc1nc2ccc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2nc1C ZINC000032740808 220673042 /nfs/dbraw/zinc/67/30/42/220673042.db2.gz WAJSIOGJURQSSN-UHFFFAOYSA-N 0 0 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