smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1OCc1ccccc1 ZINC000038149938 210245884 /nfs/dbraw/zinc/24/58/84/210245884.db2.gz GNVMQSCZKNCLHV-MRXNPFEDSA-N 0 0 354.258 4.699 10 0 FJAERN C[C@@H](Cc1ccccc1)N1CSC(=S)N([C@@H](C)Cc2ccccc2)C1 ZINC000031571687 210244909 /nfs/dbraw/zinc/24/49/09/210244909.db2.gz NRYJOOYPJHAVNH-ROUUACIJSA-N 0 0 370.587 4.800 10 0 FJAERN O=C(Nc1sc(Br)nc1-c1ccccc1)c1ccccc1 ZINC000032500050 210184670 /nfs/dbraw/zinc/18/46/70/210184670.db2.gz FRYIDMIBILLGOE-UHFFFAOYSA-N 0 0 359.248 4.825 10 0 FJAERN Brc1ccc(Cc2nc3cc(-n4cccc4)ccc3o2)cc1 ZINC000226246648 210178005 /nfs/dbraw/zinc/17/80/05/210178005.db2.gz UJJHRTPANGFKOG-UHFFFAOYSA-N 0 0 353.219 4.972 10 0 FJAERN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cccc(Cl)c3)oc21 ZINC000226270573 210177878 /nfs/dbraw/zinc/17/78/78/210177878.db2.gz NQYVMTADJKBBFS-UHFFFAOYSA-N 0 0 368.742 4.982 10 0 FJAERN C[C@@H](O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000226272778 210176906 /nfs/dbraw/zinc/17/69/06/210176906.db2.gz NSQHMIQEXDXHDZ-GFCCVEGCSA-N 0 0 370.246 4.908 10 0 FJAERN CCCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)cc1 ZINC000226268012 210176322 /nfs/dbraw/zinc/17/63/22/210176322.db2.gz MOOMQYVLHWOGRY-UHFFFAOYSA-N 0 0 355.482 4.546 10 0 FJAERN O=Cc1ccc(OCc2cccc(Br)c2)c(Br)c1 ZINC000035657462 210171209 /nfs/dbraw/zinc/17/12/09/210171209.db2.gz NTBRBRLOPCKFPH-UHFFFAOYSA-N 0 0 370.040 4.603 10 0 FJAERN CCc1ccc2nc(NC(=O)COc3ccccc3C(C)C)sc2c1 ZINC000028284493 210163910 /nfs/dbraw/zinc/16/39/10/210163910.db2.gz XTACHXAKQNWUEP-UHFFFAOYSA-N 0 0 354.475 5.000 10 0 FJAERN CSc1cccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000011878768 210101887 /nfs/dbraw/zinc/10/18/87/210101887.db2.gz CCVZNIOLKWRWQS-AWEZNQCLSA-N 0 0 355.482 4.893 10 0 FJAERN Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)N3C(=O)CSC3=N2)cc1 ZINC000006204412 210085294 /nfs/dbraw/zinc/08/52/94/210085294.db2.gz KNQYUOKPQJPHSL-KRWDZBQOSA-N 0 0 354.862 4.676 10 0 FJAERN Nc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1Br ZINC000040301873 210043607 /nfs/dbraw/zinc/04/36/07/210043607.db2.gz HYIQXMHPCQXAGX-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN CCN(c1ccccc1)c1c(Br)cc(N)cc1Br ZINC000226317025 222883919 /nfs/dbraw/zinc/88/39/19/222883919.db2.gz KHJBXBYKLLEVTH-UHFFFAOYSA-N 0 0 370.088 4.952 10 0 FJAERN Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(C(C)C)cc3)nn21 ZINC000227142796 222889583 /nfs/dbraw/zinc/88/95/83/222889583.db2.gz YWOORKJCQQMNTF-UHFFFAOYSA-N 0 0 374.473 4.599 10 0 FJAERN CC1=Nc2ccc(Br)cc2[C@H](OCC(=O)Nc2ccccc2)C1 ZINC000227148522 222888849 /nfs/dbraw/zinc/88/88/49/222888849.db2.gz NHXBSNSFBNMQGL-QGZVFWFLSA-N 0 0 373.250 4.642 10 0 FJAERN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000064837737 212044675 /nfs/dbraw/zinc/04/46/75/212044675.db2.gz KOWKBCJXGOMULR-UHFFFAOYSA-N 0 0 370.474 4.685 10 0 FJAERN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)N1CCCCC1 ZINC000064675727 212042285 /nfs/dbraw/zinc/04/22/85/212042285.db2.gz OPEFCZVUUWJONY-UHFFFAOYSA-N 0 0 367.880 4.600 10 0 FJAERN CCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000064526692 212039525 /nfs/dbraw/zinc/03/95/25/212039525.db2.gz AKOOPGPCJACGSC-UHFFFAOYSA-N 0 0 370.880 4.540 10 0 FJAERN NC(=O)/C=C/c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 ZINC000226244516 203880310 /nfs/dbraw/zinc/88/03/10/203880310.db2.gz VMOOVIBHRGBFJJ-DUXPYHPUSA-N 0 0 361.022 4.514 10 0 FJAERN CC(C)(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(F)cc3F)cn21 ZINC000003948375 203918684 /nfs/dbraw/zinc/91/86/84/203918684.db2.gz VNZJNPIWZYMGAO-UHFFFAOYSA-N 0 0 372.350 4.766 10 0 FJAERN CC(=O)c1sccc1NC(=O)CSCc1c(F)cccc1Cl ZINC000001323859 203999811 /nfs/dbraw/zinc/99/98/11/203999811.db2.gz WGLITVOVNJUCHB-UHFFFAOYSA-N 0 0 357.859 4.615 10 0 FJAERN CCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 ZINC000001918348 204022701 /nfs/dbraw/zinc/02/27/01/204022701.db2.gz HAJAZJRYRGQZMB-LBPRGKRZSA-N 0 0 351.512 4.814 10 0 FJAERN O=C(Nc1c(Cl)nsc1-c1ccccc1Cl)N1CCSCC1 ZINC000002152967 204027660 /nfs/dbraw/zinc/02/76/60/204027660.db2.gz GTMFZDOKBVYBDK-UHFFFAOYSA-N 0 0 374.318 4.698 10 0 FJAERN CC(C)CN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccccc1 ZINC000004629546 204151340 /nfs/dbraw/zinc/15/13/40/204151340.db2.gz MABVHAANMUXSGC-HXUWFJFHSA-N 0 0 365.864 4.931 10 0 FJAERN Cc1cc(C)cc(N2C(=O)S/C(=C3/C(=O)Nc4ccccc43)C2=S)c1 ZINC000005539057 204213124 /nfs/dbraw/zinc/21/31/24/204213124.db2.gz DICPRSVFYRXXPU-FOCLMDBBSA-N 0 0 366.467 4.667 10 0 FJAERN CCN1c2cc(C(F)(F)F)cc(Cl)c2N(C)C(=O)c2cccnc21 ZINC000005842487 204226638 /nfs/dbraw/zinc/22/66/38/204226638.db2.gz AFCUXPVAIWIPIK-UHFFFAOYSA-N 0 0 355.747 4.502 10 0 FJAERN CCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1 ZINC000006739654 204264800 /nfs/dbraw/zinc/26/48/00/204264800.db2.gz KQJHJZWIBJHTFM-FQEVSTJZSA-N 0 0 354.475 4.512 10 0 FJAERN Cc1cc(C)n(Cc2ccc(F)c(F)c2)c1C(=O)N(C)Cc1ccccc1 ZINC000006773138 204268831 /nfs/dbraw/zinc/26/88/31/204268831.db2.gz JWIMRAKTNKQNII-UHFFFAOYSA-N 0 0 368.427 4.704 10 0 FJAERN Cc1ccc2oc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)nc2c1 ZINC000009694275 204378676 /nfs/dbraw/zinc/37/86/76/204378676.db2.gz ANNIQSGBLQGFMZ-UHFFFAOYSA-N 0 0 354.365 4.604 10 0 FJAERN C[C@@H](NC(=O)c1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000036661041 204382499 /nfs/dbraw/zinc/38/24/99/204382499.db2.gz IUIQJENVNLKLSQ-SECBINFHSA-N 0 0 356.622 4.733 10 0 FJAERN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2[C@@H](C)CC)cc1 ZINC000009867317 204385285 /nfs/dbraw/zinc/38/52/85/204385285.db2.gz NBBYOYUGOIOQLT-JKSUJKDBSA-N 0 0 369.461 4.783 10 0 FJAERN CCCOc1cccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000010012449 204388707 /nfs/dbraw/zinc/38/87/07/204388707.db2.gz BFFYPASLUVZYLQ-UHFFFAOYSA-N 0 0 356.491 4.726 10 0 FJAERN O=C(c1ccccc1Cl)n1c(COc2ccccc2)nc2ccccc21 ZINC000010151114 204391456 /nfs/dbraw/zinc/39/14/56/204391456.db2.gz LLLCQAOLLSANIH-UHFFFAOYSA-N 0 0 362.816 4.957 10 0 FJAERN CCCCOc1cccc(NC(=O)c2cccc(OCCOCC)c2)c1 ZINC000010216076 204391725 /nfs/dbraw/zinc/39/17/25/204391725.db2.gz BYIHXUKBDJQHSB-UHFFFAOYSA-N 0 0 357.450 4.533 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2cccc(OCc3ccccc3)c2)cc1 ZINC000014783543 204586928 /nfs/dbraw/zinc/58/69/28/204586928.db2.gz XAGJDRSXGAVLMP-NTCAYCPXSA-N 0 0 359.425 4.926 10 0 FJAERN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc([C@@H](C)CC)cc2)CC1=O ZINC000020371554 204721793 /nfs/dbraw/zinc/72/17/93/204721793.db2.gz VHLFBSQOHWJUPJ-LPHOPBHVSA-N 0 0 364.489 4.754 10 0 FJAERN O=Cc1ccc(Oc2ccc(I)cc2)cc1Cl ZINC000053994392 211922253 /nfs/dbraw/zinc/92/22/53/211922253.db2.gz MYUOVAVWHYQNJF-UHFFFAOYSA-N 0 0 358.562 4.549 10 0 FJAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(=O)Nc1ccc(Cl)cc1 ZINC000032527352 204929952 /nfs/dbraw/zinc/92/99/52/204929952.db2.gz QRUGPBOZHPHRBM-UHFFFAOYSA-N 0 0 368.864 4.609 10 0 FJAERN COc1cccc2c(C)cc(=O)n(C(c3ccccc3)c3ccccc3)c12 ZINC000032527798 204931098 /nfs/dbraw/zinc/93/10/98/204931098.db2.gz IDJHYOBKWJIBJT-UHFFFAOYSA-N 0 0 355.437 4.956 10 0 FJAERN O=C(c1cccs1)N1CCC[C@@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000036314419 205010295 /nfs/dbraw/zinc/01/02/95/205010295.db2.gz UVSDEFSHNJYKGN-OAHLLOKOSA-N 0 0 369.408 4.588 10 0 FJAERN COc1ccccc1CN1CCCn2cccc2[C@H]1c1ccccc1F ZINC000036347830 205010733 /nfs/dbraw/zinc/01/07/33/205010733.db2.gz MDZWJKLDGBLPOV-JOCHJYFZSA-N 0 0 350.437 4.631 10 0 FJAERN COc1ccc(Cc2sc(NC(=O)c3ccccc3Cl)nc2C)cc1 ZINC000036639245 205019237 /nfs/dbraw/zinc/01/92/37/205019237.db2.gz SDDUTKPVUWVLDX-UHFFFAOYSA-N 0 0 372.877 4.957 10 0 FJAERN COc1cc(OC)cc([C@H]2c3cccn3CCCN2Cc2cccs2)c1 ZINC000037522238 205025808 /nfs/dbraw/zinc/02/58/08/205025808.db2.gz VQBAJVKAULIHOZ-NRFANRHFSA-N 0 0 368.502 4.562 10 0 FJAERN COc1ccc(Br)cc1C(=O)c1cc(Cl)ccc1Cl ZINC000037363047 205026307 /nfs/dbraw/zinc/02/63/07/205026307.db2.gz VQFURASQXYKXHU-UHFFFAOYSA-N 0 0 360.034 4.996 10 0 FJAERN Cc1cccc2sc(-c3ccc(I)cc3)nc21 ZINC000073638894 205032291 /nfs/dbraw/zinc/03/22/91/205032291.db2.gz XANWSEHVUVFOGR-UHFFFAOYSA-N 0 0 351.212 4.876 10 0 FJAERN Brc1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1 ZINC000039947680 205047555 /nfs/dbraw/zinc/04/75/55/205047555.db2.gz NPPHGGKOWURHGK-UHFFFAOYSA-N 0 0 350.219 4.826 10 0 FJAERN CCCCC1CCC(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)CC1 ZINC000040038565 205050027 /nfs/dbraw/zinc/05/00/27/205050027.db2.gz LCBJZINYCPALHD-UHFFFAOYSA-N 0 0 363.523 4.959 10 0 FJAERN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)c(OC)c1 ZINC000040178859 205062035 /nfs/dbraw/zinc/06/20/35/205062035.db2.gz FURNYQLTEZEEOC-UHFFFAOYSA-N 0 0 355.365 4.664 10 0 FJAERN Cc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C(C)C)c(C)c1 ZINC000040179998 205062539 /nfs/dbraw/zinc/06/25/39/205062539.db2.gz QZIIXCDBYUQGDH-UHFFFAOYSA-N 0 0 368.868 4.913 10 0 FJAERN CCCc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1ccc(Cl)cc1 ZINC000040179890 205063375 /nfs/dbraw/zinc/06/33/75/205063375.db2.gz KZFGNYOGSANLRN-UHFFFAOYSA-N 0 0 368.868 4.742 10 0 FJAERN CCCCCCn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 ZINC000040192122 205063526 /nfs/dbraw/zinc/06/35/26/205063526.db2.gz MYVUJPDBOKZYBY-NXVVXOECSA-N 0 0 361.489 4.946 10 0 FJAERN CCCCCn1c2ccccc2nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000040249941 205063691 /nfs/dbraw/zinc/06/36/91/205063691.db2.gz IEIOKVYRIYQXIQ-UHFFFAOYSA-N 0 0 354.450 4.919 10 0 FJAERN CC1CCN(C(=O)Cn2c3ccccc3nc2-c2ccc(Cl)cc2)CC1 ZINC000040249513 205063860 /nfs/dbraw/zinc/06/38/60/205063860.db2.gz NGMGWYSWPAQCTC-UHFFFAOYSA-N 0 0 367.880 4.615 10 0 FJAERN O=C(CCn1c2ccccc2nc1-c1cccs1)N1CCCCCC1 ZINC000040239197 205064348 /nfs/dbraw/zinc/06/43/48/205064348.db2.gz ZLAOTNLFXROFAP-UHFFFAOYSA-N 0 0 353.491 4.558 10 0 FJAERN CC(C)OC(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000040238022 205064793 /nfs/dbraw/zinc/06/47/93/205064793.db2.gz CDROHZDTIMOOSB-UHFFFAOYSA-N 0 0 374.440 4.720 10 0 FJAERN CC(C)C(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000040274720 205066084 /nfs/dbraw/zinc/06/60/84/205066084.db2.gz HXWBQWZATNJUIP-UHFFFAOYSA-N 0 0 363.505 4.654 10 0 FJAERN CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359636 205066531 /nfs/dbraw/zinc/06/65/31/205066531.db2.gz RDRMPVKJUPXZPI-UHFFFAOYSA-N 0 0 354.837 4.544 10 0 FJAERN Cc1cc2nc(CCCO)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C ZINC000040310979 205066577 /nfs/dbraw/zinc/06/65/77/205066577.db2.gz ZPFGLSWNKRGUDT-UHFFFAOYSA-N 0 0 363.288 4.933 10 0 FJAERN COc1ccc(CCn2c3ccc(Cl)cc3nc2C2CC2)cc1OC ZINC000040406932 205068818 /nfs/dbraw/zinc/06/88/18/205068818.db2.gz SJWUGBTZAUFDCS-UHFFFAOYSA-N 0 0 356.853 4.827 10 0 FJAERN COc1ccc(CCn2c(C)nc3cc(C(F)(F)F)ccc32)cc1OC ZINC000040406707 205069052 /nfs/dbraw/zinc/06/90/52/205069052.db2.gz GLPQCEANKZUNFS-UHFFFAOYSA-N 0 0 364.367 4.623 10 0 FJAERN OCCCn1c(COc2ccc3ccccc3c2)nc2ccc(Cl)cc21 ZINC000040402471 205069164 /nfs/dbraw/zinc/06/91/64/205069164.db2.gz MRFRGGRNELQIGX-UHFFFAOYSA-N 0 0 366.848 4.804 10 0 FJAERN OCCn1c(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc21 ZINC000040401071 205069227 /nfs/dbraw/zinc/06/92/27/205069227.db2.gz HJQGUIHCFSQSEW-UHFFFAOYSA-N 0 0 371.651 4.568 10 0 FJAERN CC(C)c1ccc(Oc2ncnc(Nc3ccc(F)cc3F)c2N)cc1 ZINC000040727555 205079026 /nfs/dbraw/zinc/07/90/26/205079026.db2.gz DSMRTLXCGZSGPH-UHFFFAOYSA-N 0 0 356.376 4.996 10 0 FJAERN Cc1ccc2nc(Nc3ncnc(Nc4ccccc4F)c3N)sc2c1 ZINC000040759192 205080202 /nfs/dbraw/zinc/08/02/02/205080202.db2.gz QNPJEYIRMOHDRQ-UHFFFAOYSA-N 0 0 366.425 4.603 10 0 FJAERN Cc1ccc2cccc(Nc3ncnc(Nc4ccccc4C)c3N)c2n1 ZINC000040758590 205080436 /nfs/dbraw/zinc/08/04/36/205080436.db2.gz VPBDFEYZCHIHDV-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3nc4c(cccc4C)s3)c2N)cc1 ZINC000040782033 205081168 /nfs/dbraw/zinc/08/11/68/205081168.db2.gz AWWKBHXUYQFKIK-UHFFFAOYSA-N 0 0 362.462 4.773 10 0 FJAERN Cc1ccc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)nc1 ZINC000040797947 205081385 /nfs/dbraw/zinc/08/13/85/205081385.db2.gz LVJOWRITFDGXMD-UHFFFAOYSA-N 0 0 355.829 4.568 10 0 FJAERN Cc1ccc(Oc2ncnc(Nc3cccc4nc(C)ccc43)c2N)cc1 ZINC000040796372 205081397 /nfs/dbraw/zinc/08/13/97/205081397.db2.gz BWCJUUMPXVZFJX-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Cc1ccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)cc1 ZINC000040782120 205081956 /nfs/dbraw/zinc/08/19/56/205081956.db2.gz BFXUDDVJJWMTMW-UHFFFAOYSA-N 0 0 371.238 4.666 10 0 FJAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1cccc2ncccc21 ZINC000040781817 205082140 /nfs/dbraw/zinc/08/21/40/205082140.db2.gz TYWUGNZKOMQCCB-UHFFFAOYSA-N 0 0 362.824 4.748 10 0 FJAERN Cc1cccc(Nc2ncnc(Oc3ccc(Br)cc3)c2N)c1 ZINC000040781731 205082261 /nfs/dbraw/zinc/08/22/61/205082261.db2.gz IRAJNKNVCIDXQG-UHFFFAOYSA-N 0 0 371.238 4.666 10 0 FJAERN CCc1c(-c2ccc(Br)cc2)nc2sc(CC(C)C)nn12 ZINC000040963868 205085925 /nfs/dbraw/zinc/08/59/25/205085925.db2.gz DYYNBOHREIFLTG-UHFFFAOYSA-N 0 0 364.312 4.981 10 0 FJAERN Cc1cc2sc(NC(=O)COc3c(C)ccc(C)c3C)nc2c(C)c1 ZINC000040979798 205086170 /nfs/dbraw/zinc/08/61/70/205086170.db2.gz VOWLDUMLSRFFTF-UHFFFAOYSA-N 0 0 354.475 4.856 10 0 FJAERN CCOc1ccc(CCC(=O)Nc2nc3ccc(C)cc3s2)cc1OC ZINC000041000001 205086648 /nfs/dbraw/zinc/08/66/48/205086648.db2.gz XZYRSMJHBUKYKS-UHFFFAOYSA-N 0 0 370.474 4.583 10 0 FJAERN CCc1c(-c2ccc(Br)cc2)nc2sc(SC)nn12 ZINC000040965018 205086787 /nfs/dbraw/zinc/08/67/87/205086787.db2.gz HUKVHAGLCBIQRU-UHFFFAOYSA-N 0 0 354.298 4.505 10 0 FJAERN CCOc1ccc(CCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000041008649 205087666 /nfs/dbraw/zinc/08/76/66/205087666.db2.gz RBVSIYYGCVPVAJ-UHFFFAOYSA-N 0 0 370.449 4.919 10 0 FJAERN Cc1ccc(NC(=O)c2c(Br)c3ccccc3n2C)c(C)c1 ZINC000041611258 205091442 /nfs/dbraw/zinc/09/14/42/205091442.db2.gz OMFBFVWVWUOWQY-UHFFFAOYSA-N 0 0 357.251 4.810 10 0 FJAERN Ic1cccc(N[C@@H](c2cccs2)C2CC2)c1 ZINC000042329352 205096233 /nfs/dbraw/zinc/09/62/33/205096233.db2.gz SERIQELCXLWJCX-CQSZACIVSA-N 0 0 355.244 4.916 10 0 FJAERN Nc1c(F)cccc1Nc1cc(Br)ccc1Br ZINC000042577435 205097335 /nfs/dbraw/zinc/09/73/35/205097335.db2.gz JEXIZCPCTCPCEK-UHFFFAOYSA-N 0 0 360.024 4.677 10 0 FJAERN Cc1c(CN2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)cnn1C ZINC000013594344 205098477 /nfs/dbraw/zinc/09/84/77/205098477.db2.gz IUXHWXRWZOTHRS-HSZRJFAPSA-N 0 0 362.521 4.890 10 0 FJAERN Cc1cc(Oc2ncnc(N3CCc4ccccc43)c2N)cc(C)c1Cl ZINC000040687428 205075685 /nfs/dbraw/zinc/07/56/85/205075685.db2.gz YWZNZSGRSCJYAJ-UHFFFAOYSA-N 0 0 366.852 4.816 10 0 FJAERN CCN(c1ccccc1)c1ncnc(Oc2cccc3ccc(C)nc32)c1N ZINC000040679536 205075917 /nfs/dbraw/zinc/07/59/17/205075917.db2.gz NBYXNWYGCKAJHA-UHFFFAOYSA-N 0 0 371.444 4.866 10 0 FJAERN Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1NC1CCCCC1 ZINC000040703954 205077467 /nfs/dbraw/zinc/07/74/67/205077467.db2.gz VDJJLCZRFUWEGF-UHFFFAOYSA-N 0 0 352.269 4.854 10 0 FJAERN COc1ccccc1Nc1ncnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703713 205077858 /nfs/dbraw/zinc/07/78/58/205077858.db2.gz DPPFYMZTLSNAQT-UHFFFAOYSA-N 0 0 355.829 4.516 10 0 FJAERN Cc1ccc(/C=C/C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 ZINC000047133439 205142813 /nfs/dbraw/zinc/14/28/13/205142813.db2.gz HFFIOXGSVSQZTQ-JLHYYAGUSA-N 0 0 359.429 4.576 10 0 FJAERN CCc1ccc(CC)c(-c2nonc2NC(=O)c2ccc(Cl)cc2)c1 ZINC000047133505 205143322 /nfs/dbraw/zinc/14/33/22/205143322.db2.gz YIXITSQHSCBLMC-UHFFFAOYSA-N 0 0 355.825 4.767 10 0 FJAERN Cc1cc(NC(=O)/C=C/c2ccccc2Cl)n(Cc2ccccc2)n1 ZINC000013701356 220088482 /nfs/dbraw/zinc/08/84/82/220088482.db2.gz COURAPVFLHOQLM-VAWYXSNFSA-N 0 0 351.837 4.545 10 0 FJAERN Fc1ccc(NCc2cc(Br)c(Br)o2)c(F)c1 ZINC000050358476 205178449 /nfs/dbraw/zinc/17/84/49/205178449.db2.gz VLBHMXAZJNPVNE-UHFFFAOYSA-N 0 0 366.987 4.695 10 0 FJAERN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1 ZINC000059482338 205281321 /nfs/dbraw/zinc/28/13/21/205281321.db2.gz BEOXRLQNOOIUQY-UHFFFAOYSA-N 0 0 353.447 4.533 10 0 FJAERN CC(C)N1Cc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)sc2C1 ZINC000065238642 205326670 /nfs/dbraw/zinc/32/66/70/205326670.db2.gz ODOQZKOXFDRRSN-UHFFFAOYSA-N 0 0 368.546 4.567 10 0 FJAERN O=c1nc(-c2ccc(Cl)c(Cl)c2)[nH]c2sc3c(c21)CCCC3 ZINC000065002156 205314852 /nfs/dbraw/zinc/31/48/52/205314852.db2.gz BPBSAGWCMKGUKH-UHFFFAOYSA-N 0 0 351.258 4.837 10 0 FJAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)c(Cl)c1 ZINC000072450833 205553607 /nfs/dbraw/zinc/55/36/07/205553607.db2.gz NYGYMYPBYAFLSY-UHFFFAOYSA-N 0 0 373.239 4.909 10 0 FJAERN Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450829 205554904 /nfs/dbraw/zinc/55/49/04/205554904.db2.gz YDDBPYCHMVWHSE-UHFFFAOYSA-N 0 0 373.239 4.909 10 0 FJAERN COc1ccc2sc(C(=O)Nc3nc(C)c(C)s3)c(Cl)c2c1 ZINC000041007941 211767642 /nfs/dbraw/zinc/76/76/42/211767642.db2.gz FKAKGBCRVWSLBX-UHFFFAOYSA-N 0 0 352.868 4.889 10 0 FJAERN Cc1cc(OCC(=O)N(C(C)C)C(C)C)c(C(C)C)cc1Br ZINC000040944058 211764342 /nfs/dbraw/zinc/76/43/42/211764342.db2.gz IDSBJDDLWXMREK-UHFFFAOYSA-N 0 0 370.331 4.905 10 0 FJAERN Cc1ccc(OC(=O)c2ccc(Br)cc2)c(Br)c1 ZINC000040890208 211763177 /nfs/dbraw/zinc/76/31/77/211763177.db2.gz NIJQDHJSPDCOJI-UHFFFAOYSA-N 0 0 370.040 4.739 10 0 FJAERN COc1ccccc1Oc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703498 211752798 /nfs/dbraw/zinc/75/27/98/211752798.db2.gz SEFPGNNGUFTYKK-UHFFFAOYSA-N 0 0 356.813 4.565 10 0 FJAERN O=c1c(Cl)c(Nc2ccccc2F)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000016450489 205720121 /nfs/dbraw/zinc/72/01/21/205720121.db2.gz FCCSWOIZNXQVJC-UHFFFAOYSA-N 0 0 373.859 4.705 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H](n2c3ccccc3nc2C(F)(F)F)C1 ZINC000095084731 205720426 /nfs/dbraw/zinc/72/04/26/205720426.db2.gz GCJHQKOOTQVIFZ-LBPRGKRZSA-N 0 0 369.387 4.627 10 0 FJAERN CCn1c(Cc2ccc(OC)c(OC)c2)nc2cc(C(F)(F)F)ccc21 ZINC000040417140 211745068 /nfs/dbraw/zinc/74/50/68/211745068.db2.gz ZPANFEZBWCCQLH-UHFFFAOYSA-N 0 0 364.367 4.683 10 0 FJAERN Cc1nc(C(=O)Nc2nc3c(s2)CCCC3)c(-c2ccccc2)s1 ZINC000040327295 211740761 /nfs/dbraw/zinc/74/07/61/211740761.db2.gz KQCLKFXYLDSHFO-UHFFFAOYSA-N 0 0 355.488 4.706 10 0 FJAERN C[C@@H]1CCc2c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)csc2C1 ZINC000105275521 206005748 /nfs/dbraw/zinc/00/57/48/206005748.db2.gz OZUYEQISRGAQDQ-ACJLOTCBSA-N 0 0 365.502 4.727 10 0 FJAERN CC[C@H](NC(=O)c1c(C)oc(C)c1Br)c1ccc(OC)cc1 ZINC000105975798 206011388 /nfs/dbraw/zinc/01/13/88/206011388.db2.gz DQVPPGRALNTMGB-AWEZNQCLSA-N 0 0 366.255 4.549 10 0 FJAERN COc1ccc(C)cc1NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000107501396 206018644 /nfs/dbraw/zinc/01/86/44/206018644.db2.gz KRZDIJSCKCGIHJ-LBPRGKRZSA-N 0 0 363.255 4.649 10 0 FJAERN COc1cccc2cc([C@@H](C)NC(=O)C3C4CC5CC(C4)CC3C5)oc21 ZINC000105889268 206012130 /nfs/dbraw/zinc/01/21/30/206012130.db2.gz ULZNTFKKZIOLDQ-FGSOGITGSA-N 0 0 353.462 4.691 10 0 FJAERN CCN(C(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1)C1CCCC1 ZINC000105888563 206012411 /nfs/dbraw/zinc/01/24/11/206012411.db2.gz MAJVWPPTHBHCDY-UHFFFAOYSA-N 0 0 371.481 4.939 10 0 FJAERN COc1cc(CO)cc(CSC)c1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226288638 206120263 /nfs/dbraw/zinc/12/02/63/206120263.db2.gz JZPGFQZTQIEVBJ-UHFFFAOYSA-N 0 0 374.502 4.567 10 0 FJAERN Nc1ccccc1NC(=O)c1ccc(-c2ccccc2Br)o1 ZINC000226347796 206121418 /nfs/dbraw/zinc/12/14/18/206121418.db2.gz GOLMRRMVTDANMM-UHFFFAOYSA-N 0 0 357.207 4.544 10 0 FJAERN CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000226328883 206121642 /nfs/dbraw/zinc/12/16/42/206121642.db2.gz XFFDUMXJZDCFNJ-UHFFFAOYSA-N 0 0 369.642 4.858 10 0 FJAERN Cc1cc(N)cc(Br)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226763058 206123343 /nfs/dbraw/zinc/12/33/43/206123343.db2.gz CAGMMORXVUZHST-UHFFFAOYSA-N 0 0 361.283 4.890 10 0 FJAERN C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccc(Br)c1 ZINC000037983343 211693374 /nfs/dbraw/zinc/69/33/74/211693374.db2.gz HWSREHZKCMDIRK-QMMMGPOBSA-N 0 0 374.065 4.642 10 0 FJAERN FC(F)Oc1c(Br)cc(Cl)cc1NCc1ccc[nH]1 ZINC000051788525 206141323 /nfs/dbraw/zinc/14/13/23/206141323.db2.gz OLSJFHCYJQESEP-UHFFFAOYSA-N 0 0 351.578 4.644 10 0 FJAERN CCc1nc(-c2ccc(F)c(C)c2)c(-c2ccnc(NC(C)=O)c2)s1 ZINC000148664098 206141375 /nfs/dbraw/zinc/14/13/75/206141375.db2.gz VQQAZPJIGCPCJA-UHFFFAOYSA-N 0 0 355.438 4.840 10 0 FJAERN O=C(Cc1ccc(Br)cc1)c1cccc(Br)c1 ZINC000037531945 211681862 /nfs/dbraw/zinc/68/18/62/211681862.db2.gz PNPHREZQSTURHF-UHFFFAOYSA-N 0 0 354.041 4.637 10 0 FJAERN CC(C)Cc1ccc(C(=O)c2cccc(I)c2)cc1 ZINC000037357322 211679612 /nfs/dbraw/zinc/67/96/12/211679612.db2.gz IYWTUDAAQBWUCG-UHFFFAOYSA-N 0 0 364.226 4.721 10 0 FJAERN CC(C)(C)c1ccc([C@H](O)c2cccc(I)c2)cc1 ZINC000104031146 206235876 /nfs/dbraw/zinc/23/58/76/206235876.db2.gz GMQREFCDJHVWLR-INIZCTEOSA-N 0 0 366.242 4.670 10 0 FJAERN Cc1cc(Br)ccc1Nc1ccc(Cl)cc1C(N)=S ZINC000104183938 206236328 /nfs/dbraw/zinc/23/63/28/206236328.db2.gz SFPUGZSSBKVTHZ-UHFFFAOYSA-N 0 0 355.688 4.789 10 0 FJAERN [NH3+]Cc1cc(Cl)cc(Cl)c1OCc1cccc(Br)c1 ZINC000103983402 206236674 /nfs/dbraw/zinc/23/66/74/206236674.db2.gz QILILCLVBBZICR-UHFFFAOYSA-N 0 0 361.066 4.794 10 0 FJAERN Nc1c(-c2cccc(Cl)c2Cl)nc2ccc(Br)cn12 ZINC000104348535 206237105 /nfs/dbraw/zinc/23/71/05/206237105.db2.gz ABFXMBJUGBJDMM-UHFFFAOYSA-N 0 0 357.038 4.653 10 0 FJAERN COc1ccc(C(=O)N[C@H](C)c2ccccc2Cl)cc1Br ZINC000017908230 206323263 /nfs/dbraw/zinc/32/32/63/206323263.db2.gz CQEOZFSJVARYSY-SNVBAGLBSA-N 0 0 368.658 4.602 10 0 FJAERN CCOc1ccccc1[C@@H](C)Nc1ccccc1I ZINC000020479951 206333671 /nfs/dbraw/zinc/33/36/71/206333671.db2.gz TZXLCJAQVSSSEN-GFCCVEGCSA-N 0 0 367.230 4.863 10 0 FJAERN CCc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)cc1 ZINC000027027349 206338391 /nfs/dbraw/zinc/33/83/91/206338391.db2.gz NKXLNBBDOZJAFT-UHFFFAOYSA-N 0 0 356.466 4.570 10 0 FJAERN Cc1ccc(C(=O)CN(c2cc(C)ccc2C)C2=NCCCS2)cc1 ZINC000027027199 206338961 /nfs/dbraw/zinc/33/89/61/206338961.db2.gz KYOYNBFEQZDPFL-UHFFFAOYSA-N 0 0 352.503 4.794 10 0 FJAERN COc1ccc(C(=O)CN(c2ccc(Cl)cc2)C2=NCCCS2)cc1 ZINC000027027430 206339127 /nfs/dbraw/zinc/33/91/27/206339127.db2.gz IQTQWGVUWIOZON-UHFFFAOYSA-N 0 0 374.893 4.531 10 0 FJAERN Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000028236580 206470925 /nfs/dbraw/zinc/47/09/25/206470925.db2.gz NBYPZTOXQCCNEK-SECBINFHSA-N 0 0 363.742 4.511 10 0 FJAERN CCc1ccc(N(CC(=O)c2ccc(F)cc2)C2=N[C@@H](CC)CS2)cc1 ZINC000027525254 206453746 /nfs/dbraw/zinc/45/37/46/206453746.db2.gz JFGFHITVHMUQKM-SFHVURJKSA-N 0 0 370.493 4.959 10 0 FJAERN Cc1cccc(NC(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 ZINC000027918175 206459263 /nfs/dbraw/zinc/45/92/63/206459263.db2.gz GVBSDJZAHGRBEV-UHFFFAOYSA-N 0 0 371.238 4.587 10 0 FJAERN CCCC[C@H](CC)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl ZINC000032611658 206511942 /nfs/dbraw/zinc/51/19/42/206511942.db2.gz ZOXVIXPSUHPSEE-ZDUSSCGKSA-N 0 0 351.853 4.879 10 0 FJAERN Cc1nc(NCc2ccco2)sc1-c1ccn(-c2cccc(F)c2)n1 ZINC000023398841 211387672 /nfs/dbraw/zinc/38/76/72/211387672.db2.gz GDMDTMWWXZRREQ-UHFFFAOYSA-N 0 0 354.410 4.648 10 0 FJAERN Fc1ccc(Br)c(CN[C@@H]2CCSc3ccccc32)c1 ZINC000038038933 211365991 /nfs/dbraw/zinc/36/59/91/211365991.db2.gz LCRGEQFIJVZVTE-OAHLLOKOSA-N 0 0 352.272 4.915 10 0 FJAERN CSCCCNC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022340891 211348580 /nfs/dbraw/zinc/34/85/80/211348580.db2.gz RGFPEFIUNJZGEK-UHFFFAOYSA-N 0 0 358.507 4.872 10 0 FJAERN CC(=O)Nc1ccc(C)c(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038003133 211343090 /nfs/dbraw/zinc/34/30/90/211343090.db2.gz ZXJCTMVSESFJNQ-JTQLQIEISA-N 0 0 353.285 4.951 10 0 FJAERN C[C@H](Nc1ccc(Cn2cccn2)cc1)c1ccc(Br)s1 ZINC000038003415 211341890 /nfs/dbraw/zinc/34/18/90/211341890.db2.gz OGABQKBGMCXNID-LBPRGKRZSA-N 0 0 362.296 4.929 10 0 FJAERN Fc1cc(Br)ccc1NCc1ccccc1Br ZINC000021518999 211314714 /nfs/dbraw/zinc/31/47/14/211314714.db2.gz FGCHZGWIPLIMDB-UHFFFAOYSA-N 0 0 359.036 4.963 10 0 FJAERN Cc1c(C[NH2+]Cc2cccs2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024811 211304449 /nfs/dbraw/zinc/30/44/49/211304449.db2.gz YVFDPCPAENIWAZ-UHFFFAOYSA-N 0 0 374.893 4.797 10 0 FJAERN C[C@@H](CCc1ccccc1)Nc1ccc(I)cc1 ZINC000020477801 211282391 /nfs/dbraw/zinc/28/23/91/211282391.db2.gz OLPJNMUDTXPTHA-ZDUSSCGKSA-N 0 0 351.231 4.724 10 0 FJAERN Cc1cc(C)c(CNc2cccc(I)c2)c(C)c1 ZINC000020479247 211281253 /nfs/dbraw/zinc/28/12/53/211281253.db2.gz NJVQBKPBARZXGQ-UHFFFAOYSA-N 0 0 351.231 4.829 10 0 FJAERN COc1ccc(C(=O)c2c(N)sc(C)c2-c2ccccc2)cc1OC ZINC000019776379 211255633 /nfs/dbraw/zinc/25/56/33/211255633.db2.gz MWMABDAVBPZASL-UHFFFAOYSA-N 0 0 353.443 4.554 10 0 FJAERN CCOc1ccc(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000017962913 211188998 /nfs/dbraw/zinc/18/89/98/211188998.db2.gz FCKBUCNKMFNFDD-LBPRGKRZSA-N 0 0 352.261 4.812 10 0 FJAERN COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000017963032 211188222 /nfs/dbraw/zinc/18/82/22/211188222.db2.gz KALOCUIIUSCANY-SNVBAGLBSA-N 0 0 354.233 4.502 10 0 FJAERN Cc1cc(C)n(-c2nnc(NC[C@H](C)c3ccccc3)c3ccccc32)n1 ZINC000015777675 211143441 /nfs/dbraw/zinc/14/34/41/211143441.db2.gz QJRPWYJPJKVLOL-HNNXBMFYSA-N 0 0 357.461 4.648 10 0 FJAERN CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1 ZINC000014946544 211107081 /nfs/dbraw/zinc/10/70/81/211107081.db2.gz LDIWKOWDWDYZMW-UHFFFAOYSA-N 0 0 365.502 4.873 10 0 FJAERN Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1C)Nc1c(C)cccc1-2 ZINC000013123145 211023988 /nfs/dbraw/zinc/02/39/88/211023988.db2.gz HFJGFIKIJONBNH-QFIPXVFZSA-N 0 0 355.445 4.633 10 0 FJAERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000009758135 210852325 /nfs/dbraw/zinc/85/23/25/210852325.db2.gz MUVMSERCSXHIJA-DZGCQCFKSA-N 0 0 360.807 4.775 10 0 FJAERN CCCCOc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000001983830 210377312 /nfs/dbraw/zinc/37/73/12/210377312.db2.gz QIMMCEQPLYDTTA-NTCAYCPXSA-N 0 0 367.445 4.694 10 0 FJAERN CCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)OCC)c2)cc1 ZINC000001925936 210375626 /nfs/dbraw/zinc/37/56/26/210375626.db2.gz CWIXLMUNLUPGHF-SDNWHVSQSA-N 0 0 367.445 4.694 10 0 FJAERN COc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OC ZINC000001937124 210375495 /nfs/dbraw/zinc/37/54/95/210375495.db2.gz YLXYTDLWFKXWBH-XBXARRHUSA-N 0 0 352.217 4.663 10 0 FJAERN CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/c1ccc(OCC)cc1 ZINC000001945889 210374952 /nfs/dbraw/zinc/37/49/52/210374952.db2.gz KGQDNAHNCYZXRX-FMIVXFBMSA-N 0 0 373.474 4.538 10 0 FJAERN COC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000001937436 210374608 /nfs/dbraw/zinc/37/46/08/210374608.db2.gz BSAFACDBOFEQQJ-MARXPDLDSA-N 0 0 369.486 4.620 10 0 FJAERN COc1ccc([C@H](C)Nc2ccc(Br)c(C)c2)cc1OC ZINC000019908158 220303809 /nfs/dbraw/zinc/30/38/09/220303809.db2.gz LJGMVVCJPFFREQ-LBPRGKRZSA-N 0 0 350.256 4.948 10 0 FJAERN Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccsc2)cc1 ZINC000001025567 210303432 /nfs/dbraw/zinc/30/34/32/210303432.db2.gz KNBVSIWXCWRXSG-BOPFTXTBSA-N 0 0 368.483 4.528 10 0 FJAERN Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccn3)c2c1 ZINC000027976935 220554113 /nfs/dbraw/zinc/55/41/13/220554113.db2.gz XBVWGEPDJKOKRI-UHFFFAOYSA-N 0 0 373.481 4.905 10 0 FJAERN C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1sccc1Br ZINC000048238711 221003162 /nfs/dbraw/zinc/00/31/62/221003162.db2.gz DYWPUMIGEVVBKI-VIFPVBQESA-N 0 0 358.688 4.525 10 0 FJAERN Cc1ccc(NC(=O)CN[C@@H](c2cccnc2)c2ccc(C)c(C)c2)c(C)c1 ZINC000065371971 221204236 /nfs/dbraw/zinc/20/42/36/221204236.db2.gz MFPDGNIHWFFRRZ-XMMPIXPASA-N 0 0 373.500 4.633 10 0 FJAERN O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1 ZINC000066112973 221241696 /nfs/dbraw/zinc/24/16/96/221241696.db2.gz RWLZTTKHKSKAAP-UHFFFAOYSA-N 0 0 352.397 4.964 10 0 FJAERN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000071933843 221388050 /nfs/dbraw/zinc/38/80/50/221388050.db2.gz UCPFYWXZSCDEQR-PWRODBHTSA-N 0 0 367.514 4.690 10 0 FJAERN CC1CCN(c2nc3ccccc3c(NCc3ccc(F)cc3)n2)CC1 ZINC000096194904 132222084 /nfs/dbraw/zinc/22/20/84/132222084.db2.gz CXTOWMNQFZZZKE-UHFFFAOYSA-N 0 0 350.441 4.617 10 0 FJAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCC(C)CC1 ZINC000226330280 132250458 /nfs/dbraw/zinc/25/04/58/132250458.db2.gz YSCDCZVLUPZEDF-UHFFFAOYSA-N 0 0 357.885 4.719 10 0 FJAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1C[C@H](C)C[C@H](C)C1 ZINC000226330196 132250634 /nfs/dbraw/zinc/25/06/34/132250634.db2.gz OLHRZCSWUGSHOF-OKILXGFUSA-N 0 0 371.912 4.965 10 0 FJAERN CCCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)c1 ZINC000226267305 132374929 /nfs/dbraw/zinc/37/49/29/132374929.db2.gz WYPMVVNEABFGSU-UHFFFAOYSA-N 0 0 367.493 4.546 10 0 FJAERN Cc1ccc(Cl)cc1Nc1ncnc(N2CCCc3ccccc32)c1N ZINC000040704918 136119898 /nfs/dbraw/zinc/11/98/98/136119898.db2.gz BQAUNPLLFRHXSB-UHFFFAOYSA-N 0 0 365.868 4.849 10 0 FJAERN O=C1CC(c2ccncc2)=Nc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000100898201 222256847 /nfs/dbraw/zinc/25/68/47/222256847.db2.gz NZWRAPISQVEYCX-UHFFFAOYSA-N 0 0 361.832 4.793 10 0 FJAERN O=C(c1cc2ccccc2s1)c1ccc(I)cc1 ZINC000104008683 222348428 /nfs/dbraw/zinc/34/84/28/222348428.db2.gz MHOLHJBBPUZADO-UHFFFAOYSA-N 0 0 364.207 4.737 10 0 FJAERN CNc1cc(C2CC2)nc2c(Br)ccc(Br)c12 ZINC000104005627 222348467 /nfs/dbraw/zinc/34/84/67/222348467.db2.gz JPBRFLIQJWPLGW-UHFFFAOYSA-N 0 0 356.061 4.679 10 0 FJAERN FC(F)(F)c1ccc(Cl)c(Nc2ncc(Br)cn2)c1 ZINC000104380177 222357972 /nfs/dbraw/zinc/35/79/72/222357972.db2.gz PCGGRJZFHMEBSH-UHFFFAOYSA-N 0 0 352.541 4.655 10 0 FJAERN Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)oc2c1c(C)ccc2C ZINC000108904300 222431330 /nfs/dbraw/zinc/43/13/30/222431330.db2.gz OJSQGCOGMUAIBL-HNNXBMFYSA-N 0 0 365.429 4.620 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H](CSCc2ccc(Cl)nc2)C1 ZINC000085332930 518807428 /nfs/dbraw/zinc/80/74/28/518807428.db2.gz PSYFTCBXFATBKX-AWEZNQCLSA-N 0 0 356.919 4.615 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H]1CSc1nc2ccccc2s1 ZINC000085333551 518808497 /nfs/dbraw/zinc/80/84/97/518808497.db2.gz SUGKXYAJNYYVBN-LBPRGKRZSA-N 0 0 350.509 4.788 10 0 FJAERN Fc1cc(Br)ccc1Oc1nc2ccccc2nc1Cl ZINC000229002507 526294855 /nfs/dbraw/zinc/29/48/55/526294855.db2.gz PQLMHTHERLTGOS-UHFFFAOYSA-N 0 0 353.578 4.977 10 0 FJAERN O=C(NCCc1ccc(Oc2ccccc2)cc1)c1cc(Cl)ccc1O ZINC000090485143 526410795 /nfs/dbraw/zinc/41/07/95/526410795.db2.gz RIKFDQLUYYQPRA-UHFFFAOYSA-N 0 0 367.832 4.810 10 0 FJAERN O=C1C2=C(CCCC2)C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000900725 560179639 /nfs/dbraw/zinc/17/96/39/560179639.db2.gz ZHKWNOGSHWXSDY-UHFFFAOYSA-N 0 0 367.832 4.663 10 0 in-vitro FJAERN CSc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000064562970 568044828 /nfs/dbraw/zinc/04/48/28/568044828.db2.gz NWPAYFZLBHTIGD-VIFPVBQESA-N 0 0 352.809 4.868 10 0 FJAERN CCCOc1ccc([C@@H](C)NC(=O)Cc2ccccc2F)cc1OCCC ZINC000026413042 568293805 /nfs/dbraw/zinc/29/38/05/568293805.db2.gz FMTWNPSNJNGQCK-MRXNPFEDSA-N 0 0 373.468 4.823 10 0 FJAERN COc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1OC ZINC000093076421 568719844 /nfs/dbraw/zinc/71/98/44/568719844.db2.gz RCJKGRHNISJSGO-NSHDSACASA-N 0 0 367.898 4.574 10 0 FJAERN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1n[nH]c(-c2ccoc2)n1 ZINC000050005913 570542149 /nfs/dbraw/zinc/54/21/49/570542149.db2.gz FSTITCAYITWGMK-UHFFFAOYSA-N 0 0 358.357 4.525 10 0 FJAERN Cc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C1CC1 ZINC000032809298 570813646 /nfs/dbraw/zinc/81/36/46/570813646.db2.gz OASIETRYFAZMIC-UHFFFAOYSA-N 0 0 368.440 4.859 10 0 FJAERN CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)[C@H](CC)c1ccccc1 ZINC000034796268 571074599 /nfs/dbraw/zinc/07/45/99/571074599.db2.gz LUJXAKUREVSGOR-MRXNPFEDSA-N 0 0 363.461 4.780 10 0 FJAERN Cc1ccc(-c2nc(-c3cccc(NC(=O)NCC(C)C)c3)no2)s1 ZINC000032996495 571084705 /nfs/dbraw/zinc/08/47/05/571084705.db2.gz PWVSEVZPFNVRKP-UHFFFAOYSA-N 0 0 356.451 4.551 10 0 FJAERN C[C@H](CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C)CC(F)F ZINC000685960243 571142393 /nfs/dbraw/zinc/14/23/93/571142393.db2.gz ACVCJCPYKKEDBP-CQSZACIVSA-N 0 0 355.425 4.674 10 0 FJAERN CC(C)(C)OC(=O)N(CC(=O)CCCC(C)(F)F)Cc1ccccc1 ZINC000685961530 571142560 /nfs/dbraw/zinc/14/25/60/571142560.db2.gz KEMPXXIUALTFSD-UHFFFAOYSA-N 0 0 355.425 4.818 10 0 FJAERN COc1ccccc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000006313461 571177149 /nfs/dbraw/zinc/17/71/49/571177149.db2.gz IPUHCSOAIUQPAR-UHFFFAOYSA-N 0 0 364.449 4.822 10 0 FJAERN C[C@H]1CCc2c3c(nc(-c4ccccc4)c2C1)[nH]n(-c1ccccc1)c3=O ZINC000170622716 571268997 /nfs/dbraw/zinc/26/89/97/571268997.db2.gz RLZOOPPACNHOTG-HNNXBMFYSA-N 0 0 355.441 4.506 10 0 FJAERN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]32)C1 ZINC000498049499 571272449 /nfs/dbraw/zinc/27/24/49/571272449.db2.gz YGKSWRFCMZRVMU-RBFKZVKLSA-N 0 0 374.521 4.624 10 0 FJAERN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000498049497 571272460 /nfs/dbraw/zinc/27/24/60/571272460.db2.gz YGKSWRFCMZRVMU-BPIQYHPVSA-N 0 0 374.521 4.624 10 0 FJAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000226282503 571276253 /nfs/dbraw/zinc/27/62/53/571276253.db2.gz WWWJMDHIHXTMRU-UHFFFAOYSA-N 0 0 352.287 4.549 10 0 FJAERN COc1cccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)c1 ZINC000226286606 571276414 /nfs/dbraw/zinc/27/64/14/571276414.db2.gz DTLVPRMLVHJVPW-UHFFFAOYSA-N 0 0 370.408 4.972 10 0 FJAERN Cc1cc2c(nc(NCC(=O)OC(C)(C)C)nc2-c2ccccc2F)s1 ZINC000022053768 571277593 /nfs/dbraw/zinc/27/75/93/571277593.db2.gz XNKVZPQFQCXPED-UHFFFAOYSA-N 0 0 373.453 4.559 10 0 in-vitro FJAERN C[C@H]([NH2+]Cc1c2ccccc2n(C)c1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000020379474 571329055 /nfs/dbraw/zinc/32/90/55/571329055.db2.gz DMPJRFFOQIXCJQ-NSDYXAQKSA-N 0 0 366.505 4.571 10 0 FJAERN Cc1cc(C)c(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)c(C)c1 ZINC000226861896 571342388 /nfs/dbraw/zinc/34/23/88/571342388.db2.gz GJJXELJYMCBQOK-UHFFFAOYSA-N 0 0 351.471 4.664 10 0 FJAERN CCCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000226859320 571342428 /nfs/dbraw/zinc/34/24/28/571342428.db2.gz FYTNHRWIRKBOFY-UHFFFAOYSA-N 0 0 360.262 4.937 10 0 FJAERN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1ccc(Oc2ccccc2)cc1 ZINC000034864666 210245707 /nfs/dbraw/zinc/24/57/07/210245707.db2.gz AOQOHHLYYAGXCV-QPEQYQDCSA-N 0 0 359.381 4.860 10 0 FJAERN COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000029554970 210244175 /nfs/dbraw/zinc/24/41/75/210244175.db2.gz JLJAVUZBHSLLJL-IETVQMFBSA-N 0 0 372.461 4.806 10 0 biogenic,in-vitro FJAERN Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)O[C@H](C)C2CC2)c1 ZINC000013474505 210234606 /nfs/dbraw/zinc/23/46/06/210234606.db2.gz SQEXNUNPTRMKMI-SNVBAGLBSA-N 0 0 363.866 4.984 10 0 FJAERN CCCn1c(COC(N)=O)nc(C(C)C)c1Sc1cccc(Cl)c1 ZINC000005883449 210231242 /nfs/dbraw/zinc/23/12/42/210231242.db2.gz VVJOFNLPPGGVCZ-UHFFFAOYSA-N 0 0 367.902 4.816 10 0 FJAERN O=c1c2coccc-2nn1SC[C@H]1C=CCC=C1c1ccc(Cl)cc1 ZINC000006092799 210230921 /nfs/dbraw/zinc/23/09/21/210230921.db2.gz PRLDSDBFYONWHP-CQSZACIVSA-N 0 0 370.861 4.751 10 0 FJAERN CCC1=C(c2ccc(OC(C)=O)cc2)[C@H](C)Oc2cc(OC(C)=O)ccc21 ZINC000001704722 210227661 /nfs/dbraw/zinc/22/76/61/210227661.db2.gz YYTISEUENPEWHA-ZDUSSCGKSA-N 0 0 366.413 4.639 10 0 FJAERN COc1cccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)c1 ZINC000226286650 210178134 /nfs/dbraw/zinc/17/81/34/210178134.db2.gz ZIIKLFCCGLIENM-UHFFFAOYSA-N 0 0 356.381 4.664 10 0 FJAERN C[C@H](NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000009484058 210098871 /nfs/dbraw/zinc/09/88/71/210098871.db2.gz OFBHXFQPABMVCO-RYUDHWBXSA-N 0 0 359.882 4.574 10 0 FJAERN O=C(NC1CCCC1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578525 212040281 /nfs/dbraw/zinc/04/02/81/212040281.db2.gz FKOBKBNEWUNIHM-UHFFFAOYSA-N 0 0 359.429 4.608 10 0 FJAERN Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)c1 ZINC000060135041 212019213 /nfs/dbraw/zinc/01/92/13/212019213.db2.gz BIXURFCPPFJFOQ-QZTJIDSGSA-N 0 0 350.462 4.687 10 0 FJAERN Cc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)c(Br)c1 ZINC000057343382 203903112 /nfs/dbraw/zinc/90/31/12/203903112.db2.gz LJRJSCYYZWJWBS-UHFFFAOYSA-N 0 0 352.663 4.823 10 0 FJAERN Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)[C@H](C)c1ccncn1 ZINC000059866636 212019132 /nfs/dbraw/zinc/01/91/32/212019132.db2.gz ANKNNVSMQYNMCS-OAHLLOKOSA-N 0 0 358.445 4.786 10 0 FJAERN CNC(=O)O[C@H](c1nc2cc(Cl)ccc2o1)c1c(F)cccc1Cl ZINC000005600015 203921164 /nfs/dbraw/zinc/92/11/64/203921164.db2.gz SULUXWANGSYAJA-AWEZNQCLSA-N 0 0 369.179 4.719 10 0 FJAERN CCOc1ccc(CNc2ccc(I)cc2C)cc1 ZINC000035039295 204005856 /nfs/dbraw/zinc/00/58/56/204005856.db2.gz NSJUHDJGIWKZEW-UHFFFAOYSA-N 0 0 367.230 4.610 10 0 FJAERN CC(Cl)(Cl)C(=O)OCCOc1cc(Cl)c(Cl)cc1Cl ZINC000002040998 204024893 /nfs/dbraw/zinc/02/48/93/204024893.db2.gz KMHZPJNVPCAUMN-UHFFFAOYSA-N 0 0 366.455 4.763 10 0 in-vitro FJAERN Cc1nn(-c2ccc(Cl)nn2)c(C)c1Cc1c(Cl)cccc1Cl ZINC000002157250 204027828 /nfs/dbraw/zinc/02/78/28/204027828.db2.gz ZRHXTMOYXAFFSU-UHFFFAOYSA-N 0 0 367.667 4.830 10 0 FJAERN Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000002918403 204067617 /nfs/dbraw/zinc/06/76/17/204067617.db2.gz WNQAZNNJCYXLOO-HUUCEWRRSA-N 0 0 363.223 4.870 10 0 FJAERN CCCCOc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 ZINC000003892411 204112566 /nfs/dbraw/zinc/11/25/66/204112566.db2.gz MWDJTZSUSDRYOQ-UHFFFAOYSA-N 0 0 373.522 4.816 10 0 FJAERN CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)cc(Cl)c1)CSC2 ZINC000004077218 204119188 /nfs/dbraw/zinc/11/91/88/204119188.db2.gz SUVUFCLYIYFNCQ-UHFFFAOYSA-N 0 0 370.305 4.944 10 0 FJAERN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000004585170 204148915 /nfs/dbraw/zinc/14/89/15/204148915.db2.gz AXXUHIDVIKIKLD-INIZCTEOSA-N 0 0 368.824 4.759 10 0 FJAERN CCc1nc(SCc2ccccc2)n(C)c(=O)c1Cc1cccc(C)c1 ZINC000004917312 204175528 /nfs/dbraw/zinc/17/55/28/204175528.db2.gz LDJJMZRRJDWDGT-UHFFFAOYSA-N 0 0 364.514 4.534 10 0 FJAERN CCC(CC)(c1c(C)nn(-c2ccccc2)c1C)n1nnc2ccccc21 ZINC000005307592 204202313 /nfs/dbraw/zinc/20/23/13/204202313.db2.gz JGZGHQRHIJBBBO-UHFFFAOYSA-N 0 0 359.477 4.797 10 0 FJAERN CCCC[C@@H](CC)C(=O)OCCOCCOC(=O)[C@H](CC)CCCC ZINC000005821731 204226654 /nfs/dbraw/zinc/22/66/54/204226654.db2.gz GWQRPOCMBMQBTK-QZTJIDSGSA-N 0 0 358.519 4.522 10 0 FJAERN c1ccc(CSc2nn3c(SCc4ccccc4)nnc3s2)cc1 ZINC000006282369 204243306 /nfs/dbraw/zinc/24/33/06/204243306.db2.gz SSPGWHZEGIEFAU-UHFFFAOYSA-N 0 0 370.528 4.770 10 0 FJAERN CCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000006734077 204264302 /nfs/dbraw/zinc/26/43/02/204264302.db2.gz BAGRJDAOGJEIML-IBGZPJMESA-N 0 0 350.462 4.615 10 0 FJAERN Cc1ccc2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2n1 ZINC000006865766 204276960 /nfs/dbraw/zinc/27/69/60/204276960.db2.gz VCDKGRBRAFWCKR-UHFFFAOYSA-N 0 0 361.228 4.868 10 0 FJAERN OCCn1c(CSc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000007503585 204299234 /nfs/dbraw/zinc/29/92/34/204299234.db2.gz DJJOPTCMASXZRZ-UHFFFAOYSA-N 0 0 353.274 4.628 10 0 FJAERN OCc1cc(Cl)cc(Cl)c1OCc1cccc(Br)c1 ZINC000035662567 204346723 /nfs/dbraw/zinc/34/67/23/204346723.db2.gz BIQDUAZFVLKWPI-UHFFFAOYSA-N 0 0 362.050 4.827 10 0 FJAERN CCCC[C@H]1CN(C(=O)c2cc3ccccc3cn2)Cc2ccccc2O1 ZINC000011787672 204414909 /nfs/dbraw/zinc/41/49/09/204414909.db2.gz JVTDLYNLCCKHBI-FQEVSTJZSA-N 0 0 360.457 4.828 10 0 FJAERN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1 ZINC000009695666 204379999 /nfs/dbraw/zinc/37/99/99/204379999.db2.gz DYDFSDGNBLNQLC-UHFFFAOYSA-N 0 0 356.491 4.724 10 0 FJAERN COc1ccc(SCC(=O)Nc2ccc(OC)c3ccccc23)cc1 ZINC000010022876 204389211 /nfs/dbraw/zinc/38/92/11/204389211.db2.gz OIYARRKOFDDQHT-UHFFFAOYSA-N 0 0 353.443 4.588 10 0 FJAERN COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000010109693 204391109 /nfs/dbraw/zinc/39/11/09/204391109.db2.gz RIVWIIAUKBOCAZ-UHFFFAOYSA-N 0 0 372.424 4.993 10 0 FJAERN Cc1cccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1 ZINC000014952169 204591194 /nfs/dbraw/zinc/59/11/94/204591194.db2.gz XGXWRGOYVJXPFI-UHFFFAOYSA-N 0 0 358.854 4.804 10 0 FJAERN Cc1ccc(N2C(=N)S/C(=C\c3cccc(Br)c3)C2=O)cc1 ZINC000015053000 204599370 /nfs/dbraw/zinc/59/93/70/204599370.db2.gz SSTXCVQIACFFRE-QFULKBQASA-N 0 0 373.275 4.813 10 0 FJAERN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc([C@@H](C)CC)cc2)CC1=O ZINC000020371560 204721962 /nfs/dbraw/zinc/72/19/62/204721962.db2.gz VHLFBSQOHWJUPJ-QFBILLFUSA-N 0 0 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/nfs/dbraw/zinc/07/97/84/205079784.db2.gz DAFILYHXPOCEHT-UHFFFAOYSA-N 0 0 363.421 4.641 10 0 FJAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1cccc2ccccc21 ZINC000040759036 205079832 /nfs/dbraw/zinc/07/98/32/205079832.db2.gz KZRZGMDYNAJLFM-UHFFFAOYSA-N 0 0 363.371 4.977 10 0 FJAERN Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1Nc1ccccc1F ZINC000040759160 205080250 /nfs/dbraw/zinc/08/02/50/205080250.db2.gz RCHSWWURYUWWSG-UHFFFAOYSA-N 0 0 363.318 4.704 10 0 FJAERN Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1Sc1ccccc1 ZINC000040755717 205080347 /nfs/dbraw/zinc/08/03/47/205080347.db2.gz ATGNLNIWEGXFKB-UHFFFAOYSA-N 0 0 352.507 4.591 10 0 FJAERN Cc1ccc2cccc(Nc3ncnc(Nc4ccc(F)cc4)c3N)c2n1 ZINC000040758612 205080685 /nfs/dbraw/zinc/08/06/85/205080685.db2.gz NJNBQLLYZYGJSY-UHFFFAOYSA-N 0 0 360.396 4.542 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)c1C ZINC000040755204 205080794 /nfs/dbraw/zinc/08/07/94/205080794.db2.gz QWCLPFTWWIBBSB-UHFFFAOYSA-N 0 0 357.820 4.955 10 0 FJAERN Cc1ccc(Sc2ncnc(Oc3cccc4cccnc43)c2N)cc1 ZINC000040752155 205080850 /nfs/dbraw/zinc/08/08/50/205080850.db2.gz SORWJDNNLNWRCP-UHFFFAOYSA-N 0 0 360.442 4.859 10 0 FJAERN Nc1c(Nc2ccccc2Br)ncnc1Sc1ccccc1 ZINC000040781404 205081832 /nfs/dbraw/zinc/08/18/32/205081832.db2.gz BLUOXWXLEIKSAF-UHFFFAOYSA-N 0 0 373.279 4.716 10 0 FJAERN Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1OC1CCCCC1 ZINC000040782007 205081861 /nfs/dbraw/zinc/08/18/61/205081861.db2.gz YABHRKJKIAXKSS-UHFFFAOYSA-N 0 0 352.360 4.533 10 0 FJAERN CCOc1ccc(Br)cc1/C=C/C(=O)N(C(C)C)C(C)C ZINC000040890671 205084085 /nfs/dbraw/zinc/08/40/85/205084085.db2.gz ZOOAIKPSDIGKFW-JXMROGBWSA-N 0 0 354.288 4.506 10 0 FJAERN CCc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000040942402 205085445 /nfs/dbraw/zinc/08/54/45/205085445.db2.gz NCJBPHQSURRERY-UHFFFAOYSA-N 0 0 362.267 4.646 10 0 FJAERN CCCCc1ccc2nc(NC(=O)c3c(OC)cccc3OC)sc2c1 ZINC000040965256 205086098 /nfs/dbraw/zinc/08/60/98/205086098.db2.gz SHYJERSHYQSMKQ-UHFFFAOYSA-N 0 0 370.474 4.908 10 0 FJAERN Cc1c(C(=O)OC(C)C)sc2nc(-c3ccc(OC(C)C)cc3)cn12 ZINC000041005766 205088047 /nfs/dbraw/zinc/08/80/47/205088047.db2.gz WOFZBWQGZVSSKB-UHFFFAOYSA-N 0 0 358.463 4.724 10 0 FJAERN Brc1cccc2c(Br)c(Br)cnc12 ZINC000041702648 205091730 /nfs/dbraw/zinc/09/17/30/205091730.db2.gz JEBXADFECXXIEE-UHFFFAOYSA-N 0 0 365.850 4.522 10 0 FJAERN COc1ccc(Oc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1 ZINC000040687923 205075272 /nfs/dbraw/zinc/07/52/72/205075272.db2.gz RTZWOKKPULCTQR-UHFFFAOYSA-N 0 0 359.385 4.805 10 0 FJAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040701654 205076640 /nfs/dbraw/zinc/07/66/40/205076640.db2.gz QOYVMZYSFOCBOX-UHFFFAOYSA-N 0 0 361.783 4.786 10 0 FJAERN COc1ccc(Oc2ncnc(Nc3ccc(Cl)cc3C)c2N)cc1 ZINC000040703500 205077273 /nfs/dbraw/zinc/07/72/73/205077273.db2.gz RPHJRZRCGGBEOP-UHFFFAOYSA-N 0 0 356.813 4.565 10 0 FJAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2cccnc2Cl)c1N ZINC000040703494 205077811 /nfs/dbraw/zinc/07/78/11/205077811.db2.gz JFAAPVJAPFFWKE-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN CC(C)c1ccc(Oc2ncnc(Nc3cc(F)ccc3F)c2N)cc1 ZINC000040727553 205078152 /nfs/dbraw/zinc/07/81/52/205078152.db2.gz GNYNXKZABVQSDY-UHFFFAOYSA-N 0 0 356.376 4.996 10 0 FJAERN Cc1cc(F)ccc1NCc1cc(Br)c(Br)o1 ZINC000050358504 205178708 /nfs/dbraw/zinc/17/87/08/205178708.db2.gz CKBGSTFJMOFSIZ-UHFFFAOYSA-N 0 0 363.024 4.864 10 0 FJAERN O[C@@H](Cc1ccc(Br)cc1F)c1cccc(Br)c1 ZINC000053783511 205196156 /nfs/dbraw/zinc/19/61/56/205196156.db2.gz GJQWFFWXNIDJBV-AWEZNQCLSA-N 0 0 374.047 4.627 10 0 FJAERN C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1Br ZINC000015686820 220160529 /nfs/dbraw/zinc/16/05/29/220160529.db2.gz KJBYWVDXWMEJJR-CYBMUJFWSA-N 0 0 371.278 4.740 10 0 FJAERN CCOC(=O)c1sc2nc(C)nc(Nc3ccccc3Cl)c2c1C ZINC000072260926 205502877 /nfs/dbraw/zinc/50/28/77/205502877.db2.gz TVCMZSOWIVHPOD-UHFFFAOYSA-N 0 0 361.854 4.882 10 0 FJAERN COc1ccc(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000042698162 211782956 /nfs/dbraw/zinc/78/29/56/211782956.db2.gz CRSRRYNNKOXWLL-FQEVSTJZSA-N 0 0 366.848 4.605 10 0 FJAERN C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(Cl)c(Cl)c1 ZINC000042349451 211777629 /nfs/dbraw/zinc/77/76/29/211777629.db2.gz XHLOFZLMDAIWOO-SNVBAGLBSA-N 0 0 362.216 4.534 10 0 FJAERN O=C(/C=C/c1ccccc1)Nc1ccnc2ccc(Br)cc21 ZINC000041057902 211767844 /nfs/dbraw/zinc/76/78/44/211767844.db2.gz DZFMRAAGSZDVOJ-RMKNXTFCSA-N 0 0 353.219 4.649 10 0 FJAERN COc1ccc(-c2csc(NC(=O)CCc3ccc(C)cc3)n2)cc1 ZINC000040994648 211767633 /nfs/dbraw/zinc/76/76/33/211767633.db2.gz XAWGJUCUJIHHPH-UHFFFAOYSA-N 0 0 352.459 4.698 10 0 FJAERN Brc1ccc([C@@H]2NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000041104838 211768892 /nfs/dbraw/zinc/76/88/92/211768892.db2.gz JQVOUYQUIGROCK-IWPPFLRJSA-N 0 0 358.264 4.596 10 0 FJAERN COc1cccc2sc3nc(-c4ccc(Br)cc4)cn3c21 ZINC000040964632 211766488 /nfs/dbraw/zinc/76/64/88/211766488.db2.gz BMTQRGFMRXDDKM-UHFFFAOYSA-N 0 0 359.248 4.987 10 0 FJAERN CC(C)(C)CC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000040935881 211764571 /nfs/dbraw/zinc/76/45/71/211764571.db2.gz MFWXOXXKDBYLFY-UHFFFAOYSA-N 0 0 353.285 4.947 10 0 FJAERN CN(c1ccccc1)c1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040757894 211759550 /nfs/dbraw/zinc/75/95/50/211759550.db2.gz HTBHPZGBGRQKPX-UHFFFAOYSA-N 0 0 359.355 4.589 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOCc1cnc(Cl)s1 ZINC000095086305 205722014 /nfs/dbraw/zinc/72/20/14/205722014.db2.gz AKQYDBOUJPFEQO-ZDUSSCGKSA-N 0 0 374.934 4.883 10 0 FJAERN COc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2)c(OC)c1 ZINC000105910839 206011591 /nfs/dbraw/zinc/01/15/91/206011591.db2.gz VOVHEJSFLZFQGE-MRXNPFEDSA-N 0 0 361.441 4.862 10 0 FJAERN C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000105974719 206012161 /nfs/dbraw/zinc/01/21/61/206012161.db2.gz KRQZUSUVBHGPKA-NSHDSACASA-N 0 0 368.221 4.537 10 0 FJAERN C[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1cccc(Br)c1 ZINC000110079585 206069182 /nfs/dbraw/zinc/06/91/82/206069182.db2.gz OFOBHTVGFSVWIN-LLVKDONJSA-N 0 0 358.239 4.813 10 0 FJAERN O=C(NCCc1cc(F)cc(F)c1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000109810622 206064329 /nfs/dbraw/zinc/06/43/29/206064329.db2.gz KDOHVVKNUZTUIN-UHFFFAOYSA-N 0 0 369.198 4.725 10 0 FJAERN C[C@H](Nc1ccc(Br)cn1)c1cccc(Br)c1 ZINC000038012647 211696038 /nfs/dbraw/zinc/69/60/38/211696038.db2.gz URCYAFGGCZFGKK-VIFPVBQESA-N 0 0 356.061 4.780 10 0 FJAERN NN=c1[nH]c2c(cc(NC(=O)c3cccc4ccccc43)cc2Cl)s1 ZINC000226311493 206120190 /nfs/dbraw/zinc/12/01/90/206120190.db2.gz YGKYKYAOVYRXPB-UHFFFAOYSA-N 0 0 368.849 4.641 10 0 FJAERN Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)o1 ZINC000226338565 206121007 /nfs/dbraw/zinc/12/10/07/206121007.db2.gz SBQVPPOVULFGLE-XBXARRHUSA-N 0 0 362.216 4.708 10 0 FJAERN NC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000226322071 206121926 /nfs/dbraw/zinc/12/19/26/206121926.db2.gz RDWSTWVJIYBRGJ-UHFFFAOYSA-N 0 0 365.043 4.978 10 0 FJAERN CCOC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000226357433 206121960 /nfs/dbraw/zinc/12/19/60/206121960.db2.gz CNOSQALPNXOYGX-UHFFFAOYSA-N 0 0 363.196 4.944 10 0 FJAERN COc1ccc(-c2nc3c(cc(Cl)cc3Br)[nH]2)cc1OC ZINC000226343530 206122143 /nfs/dbraw/zinc/12/21/43/206122143.db2.gz LSTXRKCUBSHQSK-UHFFFAOYSA-N 0 0 367.630 4.663 10 0 FJAERN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N)cc1Cl ZINC000227158598 206123562 /nfs/dbraw/zinc/12/35/62/206123562.db2.gz RUZJUTAOSBWSSS-UHFFFAOYSA-N 0 0 359.640 4.555 10 0 FJAERN COc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000007644521 206245467 /nfs/dbraw/zinc/24/54/67/206245467.db2.gz PFDKVLHAUKEABJ-JTQLQIEISA-N 0 0 368.658 4.602 10 0 FJAERN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1[O-] ZINC000104173373 206235699 /nfs/dbraw/zinc/23/56/99/206235699.db2.gz YWKWMZCMLQIKBP-UHFFFAOYSA-N 0 0 361.022 4.714 10 0 FJAERN NC(=S)c1ccc(Cl)cc1Nc1ccc(F)cc1Br ZINC000104183074 206235777 /nfs/dbraw/zinc/23/57/77/206235777.db2.gz ZKBKVSIVFXVAQO-UHFFFAOYSA-N 0 0 359.651 4.619 10 0 FJAERN C=CC(=O)Oc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000169353302 206253254 /nfs/dbraw/zinc/25/32/54/206253254.db2.gz PTTCCDWGJVHETB-UHFFFAOYSA-N 0 0 354.409 4.843 10 0 FJAERN Brc1ccc(-c2ccnc3c(-c4ccccc4)cnn32)cc1 ZINC000035171366 211631451 /nfs/dbraw/zinc/63/14/51/211631451.db2.gz MJGHXIWJUGMDOQ-UHFFFAOYSA-N 0 0 350.219 4.826 10 0 FJAERN C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1Br ZINC000017964976 206323547 /nfs/dbraw/zinc/32/35/47/206323547.db2.gz NBXZMUVBIRJJQX-SECBINFHSA-N 0 0 356.622 4.733 10 0 FJAERN OCc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000020298008 206329668 /nfs/dbraw/zinc/32/96/68/206329668.db2.gz VBGRLHZQCQTGID-UHFFFAOYSA-N 0 0 362.050 4.827 10 0 FJAERN OCc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000020298017 206330354 /nfs/dbraw/zinc/33/03/54/206330354.db2.gz XFYDNGBYIMYRAX-UHFFFAOYSA-N 0 0 361.157 4.539 10 0 FJAERN CCOc1ccccc1[C@H](C)Nc1ccccc1I ZINC000020479952 206334425 /nfs/dbraw/zinc/33/44/25/206334425.db2.gz TZXLCJAQVSSSEN-LBPRGKRZSA-N 0 0 367.230 4.863 10 0 FJAERN Nc1n[nH]c(-c2ccc(Cl)s2)c1-c1ccccc1Br ZINC000055334036 206381488 /nfs/dbraw/zinc/38/14/88/206381488.db2.gz BHYJNKPCAYPLSL-UHFFFAOYSA-N 0 0 354.660 4.803 10 0 FJAERN COc1ccc(Br)c(C(=O)N[C@@H](c2cccs2)C(C)C)c1 ZINC000026802771 206447133 /nfs/dbraw/zinc/44/71/33/206447133.db2.gz MWEBGGBVRISNBR-OAHLLOKOSA-N 0 0 368.296 4.646 10 0 FJAERN CCOc1ccccc1C(=O)Nc1ccn(Cc2cccc3ccccc32)n1 ZINC000028303467 206473189 /nfs/dbraw/zinc/47/31/89/206473189.db2.gz IHYHYBICLNYJQN-UHFFFAOYSA-N 0 0 371.440 4.736 10 0 FJAERN COc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1 ZINC000027525337 206454127 /nfs/dbraw/zinc/45/41/27/206454127.db2.gz WNFUQFCEARQQNX-UHFFFAOYSA-N 0 0 373.456 4.727 10 0 FJAERN C[C@H](Nc1cccc(N2CCOC2=O)c1)c1ccc(Br)s1 ZINC000038002975 211341551 /nfs/dbraw/zinc/34/15/51/211341551.db2.gz VUNFVYHJDSVDKZ-JTQLQIEISA-N 0 0 367.268 4.640 10 0 FJAERN O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000037976431 211326586 /nfs/dbraw/zinc/32/65/86/211326586.db2.gz HTFUWBCWWQOXEF-MRVPVSSYSA-N 0 0 370.596 4.517 10 0 FJAERN COc1ccc(Cl)cc1/C=C/C(=O)Nc1cc(Cl)ccc1OC ZINC000021023866 211303388 /nfs/dbraw/zinc/30/33/88/211303388.db2.gz LRMYONZYPUUUQK-FPYGCLRLSA-N 0 0 352.217 4.663 10 0 FJAERN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1cccc(-c2nc3ccccc3s2)c1 ZINC000021127738 211306836 /nfs/dbraw/zinc/30/68/36/211306836.db2.gz LTULSYDZRXGLDI-HOTGVXAUSA-N 0 0 362.454 4.643 10 0 FJAERN O=c1c2ccc[nH]c-2c(Nc2cccc(Cl)c2)n1Cc1ccc(F)cc1 ZINC000021104249 211305420 /nfs/dbraw/zinc/30/54/20/211305420.db2.gz GHJQEOZJRAQCLN-IBGZPJMESA-N 0 0 367.811 4.641 10 0 FJAERN Nc1cc(Br)ccc1Oc1ccc(Br)cc1F ZINC000020473986 211281633 /nfs/dbraw/zinc/28/16/33/211281633.db2.gz ZJMMSLSPCUZTPY-UHFFFAOYSA-N 0 0 361.008 4.725 10 0 FJAERN Cc1cc(OC(C)C)ccc1NCc1ccc(I)o1 ZINC000037780665 211273768 /nfs/dbraw/zinc/27/37/68/211273768.db2.gz VNTCZKJJEZDIHZ-UHFFFAOYSA-N 0 0 371.218 4.592 10 0 FJAERN C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000016086525 211154950 /nfs/dbraw/zinc/15/49/50/211154950.db2.gz RPVBQQJGJANZNB-VIFPVBQESA-N 0 0 364.681 4.686 10 0 FJAERN Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000016017992 211153814 /nfs/dbraw/zinc/15/38/14/211153814.db2.gz RZYWOAOOZAKDPS-CQSZACIVSA-N 0 0 352.865 4.925 10 0 FJAERN N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015054043 211117181 /nfs/dbraw/zinc/11/71/81/211117181.db2.gz WNRPEXSWZSYTLV-FCKVQNBVSA-N 0 0 365.241 4.755 10 0 FJAERN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012591330 210974307 /nfs/dbraw/zinc/97/43/07/210974307.db2.gz QPQRVOPAAGRFSI-SFHVURJKSA-N 0 0 350.393 4.822 10 0 FJAERN COC(=O)c1sc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1C ZINC000012126580 210917757 /nfs/dbraw/zinc/91/77/57/210917757.db2.gz VRKCAJFHWIOFNS-UHFFFAOYSA-N 0 0 368.245 4.837 10 0 FJAERN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1O ZINC000011639343 210888225 /nfs/dbraw/zinc/88/82/25/210888225.db2.gz XMAIDWHCDPJOBK-UHFFFAOYSA-N 0 0 361.022 4.714 10 0 FJAERN CCCCOc1cccc(C(=O)Nc2cccc(OCCOCC)c2)c1 ZINC000010326464 210868842 /nfs/dbraw/zinc/86/88/42/210868842.db2.gz GDIWNKNYUCJRAR-UHFFFAOYSA-N 0 0 357.450 4.533 10 0 FJAERN COc1cccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000008787386 210805258 /nfs/dbraw/zinc/80/52/58/210805258.db2.gz FEAZOOUBLNAYEB-UHFFFAOYSA-N 0 0 362.404 4.930 10 0 FJAERN C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000006119743 210657808 /nfs/dbraw/zinc/65/78/08/210657808.db2.gz UZMJHYPQYGYCAF-NSHDSACASA-N 0 0 357.759 4.615 10 0 FJAERN CCCCCc1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 ZINC000004614548 210545536 /nfs/dbraw/zinc/54/55/36/210545536.db2.gz MVJVCJQBAUDIPO-UHFFFAOYSA-N 0 0 355.294 4.676 10 0 FJAERN Nc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000020520888 220331757 /nfs/dbraw/zinc/33/17/57/220331757.db2.gz BAYMIFRUZPKDAW-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1Cl ZINC000020546516 220333751 /nfs/dbraw/zinc/33/37/51/220333751.db2.gz DNYWIDAUIKISPT-UHFFFAOYSA-N 0 0 353.647 4.554 10 0 FJAERN Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)Nc1ccc(C)cc1 ZINC000032610189 220667745 /nfs/dbraw/zinc/66/77/45/220667745.db2.gz PGPHHDUNOFMJMK-UHFFFAOYSA-N 0 0 368.412 4.628 10 0 FJAERN Nc1cccc(Cl)c1NC(=O)c1ccc(Br)cc1Cl ZINC000050352654 221031398 /nfs/dbraw/zinc/03/13/98/221031398.db2.gz BCVWSKRATUTASG-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN NC(=S)c1c(Cl)cccc1Nc1ccc(Br)cc1F ZINC000052903872 221040067 /nfs/dbraw/zinc/04/00/67/221040067.db2.gz GSBSCPNVBJRTEZ-UHFFFAOYSA-N 0 0 359.651 4.619 10 0 FJAERN CCC(=O)Nc1ccc(C2(C(=O)NC3CCCCC3)CCCCC2)cc1 ZINC000065027416 221165162 /nfs/dbraw/zinc/16/51/62/221165162.db2.gz ABGZEWFHSLHOLV-UHFFFAOYSA-N 0 0 356.510 4.686 10 0 FJAERN CC(C)(C)OC(=O)n1c2ccccc2c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000066345523 221245433 /nfs/dbraw/zinc/24/54/33/221245433.db2.gz BYHRVOCDJKDKAQ-UHFFFAOYSA-N 0 0 372.465 4.718 10 0 FJAERN Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2n1 ZINC000105967544 132239452 /nfs/dbraw/zinc/23/94/52/132239452.db2.gz HYQCFOALPYTOTL-UHFFFAOYSA-N 0 0 363.436 4.925 10 0 FJAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCC[C@@H](C)C1 ZINC000226330245 132250625 /nfs/dbraw/zinc/25/06/25/132250625.db2.gz WVJLVNZDPLEVRN-CYBMUJFWSA-N 0 0 357.885 4.719 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1[C@H](C)CCC[C@@H]1C ZINC000226330363 132250642 /nfs/dbraw/zinc/25/06/42/132250642.db2.gz WLDRYEIACHYWAP-GASCZTMLSA-N 0 0 355.457 4.736 10 0 FJAERN COc1cccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@@H]3C)c(C)cc2N)c1 ZINC000226331580 132251192 /nfs/dbraw/zinc/25/11/92/132251192.db2.gz JOSSNEINGUIPME-IYBDPMFKSA-N 0 0 367.493 4.605 10 0 FJAERN CC1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2N)CC1 ZINC000226263174 132374702 /nfs/dbraw/zinc/37/47/02/132374702.db2.gz ABTNGLJYQYXZAK-UHFFFAOYSA-N 0 0 359.473 4.911 10 0 FJAERN Nc1c(Sc2ccc(Cl)cc2)ncnc1N1CCCc2ccccc21 ZINC000040723026 136119990 /nfs/dbraw/zinc/11/99/90/136119990.db2.gz LYELEZGUCWUIBO-UHFFFAOYSA-N 0 0 368.893 4.948 10 0 FJAERN CSc1ccc(-c2ccnc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 ZINC000072441213 221531639 /nfs/dbraw/zinc/53/16/39/221531639.db2.gz YLGXKDVNJXCVQP-UHFFFAOYSA-N 0 0 374.469 4.759 10 0 FJAERN Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(Nc2ccccc2C)n1 ZINC000072462193 221539775 /nfs/dbraw/zinc/53/97/75/221539775.db2.gz WFYQPURFEFYHSN-UHFFFAOYSA-N 0 0 355.445 4.998 10 0 FJAERN COC[C@H](C)NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000079452617 221691694 /nfs/dbraw/zinc/69/16/94/221691694.db2.gz LOIMHADAJSVNNU-LURJTMIESA-N 0 0 352.670 4.626 10 0 FJAERN C[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccc(OC(F)(F)F)cc1 ZINC000097222053 222170986 /nfs/dbraw/zinc/17/09/86/222170986.db2.gz PGCBWGUJCDRNFH-ABAIWWIYSA-N 0 0 368.355 4.616 10 0 FJAERN O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)N1c1ccc(F)cc1 ZINC000103278077 222330291 /nfs/dbraw/zinc/33/02/91/222330291.db2.gz TYDGTSVTARZEQV-FQEVSTJZSA-N 0 0 357.384 4.518 10 0 FJAERN CCCCc1ccc([C@H](O)c2ccccc2I)cc1 ZINC000104029389 222348901 /nfs/dbraw/zinc/34/89/01/222348901.db2.gz UWSRZPAAKAOKEF-KRWDZBQOSA-N 0 0 366.242 4.716 10 0 FJAERN Cc1ccc([C@H](O)c2cc(Br)ccc2Br)cc1C ZINC000104031123 222349250 /nfs/dbraw/zinc/34/92/50/222349250.db2.gz KNUYIRWVSBIYFO-HNNXBMFYSA-N 0 0 370.084 4.910 10 0 FJAERN O[C@H](CNc1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC000104145517 222351687 /nfs/dbraw/zinc/35/16/87/222351687.db2.gz OQDXLTXPUIIQIP-CYBMUJFWSA-N 0 0 361.066 4.901 10 0 FJAERN CC(C)c1c(Cl)ncnc1Nc1ccc(I)cc1 ZINC000104217013 222352648 /nfs/dbraw/zinc/35/26/48/222352648.db2.gz ROGGPQBMTFALKW-UHFFFAOYSA-N 0 0 373.625 4.602 10 0 FJAERN Cc1c(C(=O)N[C@@H](C)c2ccccc2Cl)cnn1-c1cccc(Cl)c1 ZINC000105865599 222377744 /nfs/dbraw/zinc/37/77/44/222377744.db2.gz KKMINCNIKNEUKY-LBPRGKRZSA-N 0 0 374.271 4.979 10 0 FJAERN Cc1nc(-c2ccc(CC(=O)N[C@H]3CCCc4ccccc43)cc2)cs1 ZINC000105968436 222379382 /nfs/dbraw/zinc/37/93/82/222379382.db2.gz AQRPKDRRBNBJDG-FQEVSTJZSA-N 0 0 362.498 4.855 10 0 FJAERN C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccccc1Br ZINC000105974611 222379437 /nfs/dbraw/zinc/37/94/37/222379437.db2.gz PYEJJMDLQHPATH-NSHDSACASA-N 0 0 368.221 4.537 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CSCc2cnc(Cl)s2)C1 ZINC000085333348 518805998 /nfs/dbraw/zinc/80/59/98/518805998.db2.gz INVVJTFSYLGOGV-LLVKDONJSA-N 0 0 362.948 4.677 10 0 FJAERN O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc(Cl)ccc1O ZINC000090485091 526692145 /nfs/dbraw/zinc/69/21/45/526692145.db2.gz QJVCWNHVYTXTPH-UHFFFAOYSA-N 0 0 353.805 4.768 10 0 FJAERN C[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)C(C)(C)c1ccccc1 ZINC000188590049 567974762 /nfs/dbraw/zinc/97/47/62/567974762.db2.gz NHBWOKWRCDWKBV-KRWDZBQOSA-N 0 0 360.505 4.593 10 0 FJAERN CSc1ccc([C@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000188591650 567975199 /nfs/dbraw/zinc/97/51/99/567975199.db2.gz MGPBUBJAGZYROY-HNNXBMFYSA-N 0 0 364.518 4.710 10 0 FJAERN Cc1cnn([C@H]2CCCN(C(=O)C[C@H](C)c3ccc(C(C)C)cc3)C2)c1 ZINC000159207004 567980995 /nfs/dbraw/zinc/98/09/95/567980995.db2.gz YEUFWYAZXJIXIV-RXVVDRJESA-N 0 0 353.510 4.672 10 0 FJAERN Cc1cc(C)c([C@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1C ZINC000188607002 567987384 /nfs/dbraw/zinc/98/73/84/567987384.db2.gz PIZPBAMJXWUENX-SFHVURJKSA-N 0 0 360.505 4.913 10 0 FJAERN C[C@@H](NC(=O)Nc1cccc(C(C)(F)F)c1)c1cccc(-n2ccnc2)c1 ZINC000187029481 568003791 /nfs/dbraw/zinc/00/37/91/568003791.db2.gz OOIVXSNHKKUFQB-CQSZACIVSA-N 0 0 370.403 4.867 10 0 FJAERN CSCC[C@@H](NC(=O)c1ccccc1SC)c1nc2ccccc2[nH]1 ZINC000006908421 568109495 /nfs/dbraw/zinc/10/94/95/568109495.db2.gz YDOQNSPWYVULDS-MRXNPFEDSA-N 0 0 371.531 4.509 10 0 FJAERN CC(=O)c1ccc(OCCCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000014388373 568245443 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/nfs/dbraw/zinc/03/74/94/205037494.db2.gz YNWVKHANMOLVAB-JOCHJYFZSA-N 0 0 363.505 4.834 10 0 FJAERN COc1ccc(Cc2nc3ccc(Cl)cc3n2CC(C)C)cc1OC ZINC000040417680 205070318 /nfs/dbraw/zinc/07/03/18/205070318.db2.gz NJOJAPUTVKCWQA-UHFFFAOYSA-N 0 0 358.869 4.954 10 0 FJAERN Cc1cc2nc(CO)n(CCCOc3ccc(C(C)C)cc3)c2cc1C ZINC000040309027 205066478 /nfs/dbraw/zinc/06/64/78/205066478.db2.gz GGWPWZBJAJMNKG-UHFFFAOYSA-N 0 0 352.478 4.738 10 0 FJAERN CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359718 205066748 /nfs/dbraw/zinc/06/67/48/205066748.db2.gz JQOAENRDTJTDPN-UHFFFAOYSA-N 0 0 368.864 4.852 10 0 FJAERN COCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040404511 205068968 /nfs/dbraw/zinc/06/89/68/205068968.db2.gz BEALZVRZLOETMX-UHFFFAOYSA-N 0 0 368.786 4.946 10 0 FJAERN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000040407443 205069475 /nfs/dbraw/zinc/06/94/75/205069475.db2.gz MHSLDASSAFCCDO-UHFFFAOYSA-N 0 0 365.437 4.549 10 0 in-vitro FJAERN CN(c1ccccc1)c1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040757717 205079653 /nfs/dbraw/zinc/07/96/53/205079653.db2.gz RSDXMXFTBUUGKE-UHFFFAOYSA-N 0 0 360.248 4.877 10 0 FJAERN Cc1cc(Oc2ncnc(Nc3ncccc3C)c2N)cc(C)c1Cl ZINC000040758152 205080598 /nfs/dbraw/zinc/08/05/98/205080598.db2.gz SIQYTANQKXIYOE-UHFFFAOYSA-N 0 0 355.829 4.568 10 0 FJAERN Cc1ccccc1Nc1ncnc(Nc2ccc(Br)cc2)c1N ZINC000040781164 205081650 /nfs/dbraw/zinc/08/16/50/205081650.db2.gz AFKCGULEUWAGRF-UHFFFAOYSA-N 0 0 370.254 4.617 10 0 FJAERN Nc1c(Nc2ccc(Br)cc2)ncnc1Sc1ccccc1 ZINC000040782247 205082087 /nfs/dbraw/zinc/08/20/87/205082087.db2.gz HCZQLSVXIREXAR-UHFFFAOYSA-N 0 0 373.279 4.716 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)c1 ZINC000040781621 205082207 /nfs/dbraw/zinc/08/22/07/205082207.db2.gz YDYVJWRBPDMWPB-UHFFFAOYSA-N 0 0 370.254 4.617 10 0 FJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040782184 205082320 /nfs/dbraw/zinc/08/23/20/205082320.db2.gz VBOZTDDGQQQQIQ-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Cc1ccc(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)c(C)c1 ZINC000040890199 205084257 /nfs/dbraw/zinc/08/42/57/205084257.db2.gz DESGEYNSWPEHOW-UHFFFAOYSA-N 0 0 351.427 4.836 10 0 FJAERN Cc1cccc2sc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc21 ZINC000040965532 205086674 /nfs/dbraw/zinc/08/66/74/205086674.db2.gz IDBPIPPNBDIHDY-UHFFFAOYSA-N 0 0 354.475 4.920 10 0 FJAERN O=C(CCc1ccccc1)Nc1ccnc2ccc(Br)cc21 ZINC000041057913 205087274 /nfs/dbraw/zinc/08/72/74/205087274.db2.gz GEFCEBNRZDLQCP-UHFFFAOYSA-N 0 0 355.235 4.569 10 0 FJAERN COc1cc(C(=O)Nc2ccnc3ccc(Br)cc32)ccc1C ZINC000041057935 205087888 /nfs/dbraw/zinc/08/78/88/205087888.db2.gz KBJYJBPVVGOASW-UHFFFAOYSA-N 0 0 371.234 4.567 10 0 FJAERN CCCCOc1ccc(-c2cn3c(n2)sc(C(=O)OC)c3CC)cc1 ZINC000041005728 205088075 /nfs/dbraw/zinc/08/80/75/205088075.db2.gz DFQYHSWQTMNVDL-UHFFFAOYSA-N 0 0 358.463 4.591 10 0 FJAERN CSc1nccn1-c1cccc(C(=O)Nc2ccc(Cl)cc2F)c1 ZINC000042567096 205097624 /nfs/dbraw/zinc/09/76/24/205097624.db2.gz DPAMPJCZICBSRP-UHFFFAOYSA-N 0 0 361.829 4.639 10 0 FJAERN Nc1cc(F)cc(Nc2ccc(Br)cc2Br)c1 ZINC000042598513 205097645 /nfs/dbraw/zinc/09/76/45/205097645.db2.gz BRGGELNDLFYGLK-UHFFFAOYSA-N 0 0 360.024 4.677 10 0 FJAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccc4cccnc43)c2N)c1 ZINC000040681928 205075530 /nfs/dbraw/zinc/07/55/30/205075530.db2.gz ILILWIXMSRHYSC-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN COc1ccc(C)cc1Nc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040684338 205075942 /nfs/dbraw/zinc/07/59/42/205075942.db2.gz FOWOENJPEYENSJ-UHFFFAOYSA-N 0 0 355.829 4.516 10 0 FJAERN CCN(c1ccccc1)c1ncnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040679634 205076050 /nfs/dbraw/zinc/07/60/50/205076050.db2.gz HIHCJEFUAYLFBJ-UHFFFAOYSA-N 0 0 373.382 4.979 10 0 FJAERN COc1ccc(C)cc1Nc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040684344 205076059 /nfs/dbraw/zinc/07/60/59/205076059.db2.gz UEQNYUHGAMJHCN-UHFFFAOYSA-N 0 0 355.829 4.516 10 0 FJAERN Nc1c(Nc2cccc3ccccc32)ncnc1N1CCc2ccccc21 ZINC000040687340 205076296 /nfs/dbraw/zinc/07/62/96/205076296.db2.gz NAEBOTMAGKCMPW-UHFFFAOYSA-N 0 0 353.429 4.650 10 0 FJAERN Nc1c(Nc2cccc(Cl)c2Cl)ncnc1NC1CCCCC1 ZINC000040708553 205077105 /nfs/dbraw/zinc/07/71/05/205077105.db2.gz FWNKMWVFGLJQHJ-UHFFFAOYSA-N 0 0 352.269 4.854 10 0 FJAERN COc1ccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1 ZINC000040723042 205078202 /nfs/dbraw/zinc/07/82/02/205078202.db2.gz LDGNGMHIAHHEKB-UHFFFAOYSA-N 0 0 358.854 4.616 10 0 FJAERN COc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000047133197 205143506 /nfs/dbraw/zinc/14/35/06/205143506.db2.gz UZLMFAWVWSSSGX-UHFFFAOYSA-N 0 0 365.433 4.603 10 0 FJAERN COc1cccc(CN(Cc2cnc(-c3cccc(C)c3)nc2)C2CC2)c1 ZINC000055359881 205215755 /nfs/dbraw/zinc/21/57/55/205215755.db2.gz LHOMGRJRRBQKLN-UHFFFAOYSA-N 0 0 359.473 4.625 10 0 FJAERN C[C@H](NC(=O)Nc1ccc(-c2csnn2)cc1)c1ccc(Cl)s1 ZINC000056787636 205232314 /nfs/dbraw/zinc/23/23/14/205232314.db2.gz YHHNKZQRDPMFME-VIFPVBQESA-N 0 0 364.883 4.803 10 0 FJAERN C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1Br ZINC000014426016 220124544 /nfs/dbraw/zinc/12/45/44/220124544.db2.gz NDMYYRXTSXIHBH-QMMMGPOBSA-N 0 0 374.065 4.642 10 0 FJAERN CC(C)(C)c1ccccc1OCC(=O)Nc1nc2c(cccc2F)s1 ZINC000065004854 205314430 /nfs/dbraw/zinc/31/44/30/205314430.db2.gz FWSSYUMMUFMFQZ-UHFFFAOYSA-N 0 0 358.438 4.750 10 0 FJAERN CCc1ccc(NC(=O)COc2cc(C)cc(C)c2)c(Br)c1 ZINC000065000541 205314788 /nfs/dbraw/zinc/31/47/88/205314788.db2.gz ZHOHIBRSJVGIJH-UHFFFAOYSA-N 0 0 362.267 4.646 10 0 FJAERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](O)c4cc(O)ccc4[C@H]3CC[C@]12C ZINC000065742878 205360638 /nfs/dbraw/zinc/36/06/38/205360638.db2.gz PRZIFAMBDFWLSI-CGHIAJOVSA-N 0 0 372.505 4.841 10 0 in-vitro FJAERN Cc1cc(C(=O)Nc2nccs2)cc(Cl)c1NC(=O)CC(C)(C)C ZINC000066066267 205362747 /nfs/dbraw/zinc/36/27/47/205362747.db2.gz NLAQJDDYBPPBIO-UHFFFAOYSA-N 0 0 365.886 4.732 10 0 FJAERN CCOC(=O)c1cc(N)cc(Oc2cccc(SC(F)(F)F)c2)c1 ZINC000043463428 211791077 /nfs/dbraw/zinc/79/10/77/211791077.db2.gz XYALTAHZTJRCRO-UHFFFAOYSA-N 0 0 357.353 4.850 10 0 FJAERN O=C(Nc1nc2ccccc2[nH]1)c1ccc(SCc2cccnc2)cc1 ZINC000042791381 211782977 /nfs/dbraw/zinc/78/29/77/211782977.db2.gz MZJCOGCDBPRNOM-UHFFFAOYSA-N 0 0 360.442 4.503 10 0 FJAERN Cc1ccc(-c2nc3nccc(-c4ccc(Br)cc4)n3n2)cc1 ZINC000072451524 205554250 /nfs/dbraw/zinc/55/42/50/205554250.db2.gz OOHBFFOEALLUJN-UHFFFAOYSA-N 0 0 365.234 4.529 10 0 FJAERN O=C(Nc1ccnc2ccc(Br)cc21)c1ccc(Cl)cc1 ZINC000041057922 211767763 /nfs/dbraw/zinc/76/77/63/211767763.db2.gz FAYGQUCTUNJGGV-UHFFFAOYSA-N 0 0 361.626 4.903 10 0 FJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(F)cc1 ZINC000040890744 211763269 /nfs/dbraw/zinc/76/32/69/211763269.db2.gz CZBIZMIVZFZGQD-XCVCLJGOSA-N 0 0 365.198 4.606 10 0 FJAERN COc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 ZINC000040971208 211765924 /nfs/dbraw/zinc/76/59/24/211765924.db2.gz OOOGMYCXUVKIHL-VAWYXSNFSA-N 0 0 350.443 4.779 10 0 FJAERN CCOc1ccc(/C=C/C(=O)Nc2nc3c(cccc3C)s2)cc1OC ZINC000040970697 211765499 /nfs/dbraw/zinc/76/54/99/211765499.db2.gz GEHSXSUHJGIFJH-PKNBQFBNSA-N 0 0 368.458 4.664 10 0 FJAERN Cc1cc(Oc2ncnc(N(C)c3ccccc3)c2N)cc(C)c1Cl ZINC000040757866 211759771 /nfs/dbraw/zinc/75/97/71/211759771.db2.gz VKOITKOUJWPLQP-UHFFFAOYSA-N 0 0 354.841 4.889 10 0 FJAERN CCn1cc(C(=O)Nc2cccc(C)c2)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359686 211741369 /nfs/dbraw/zinc/74/13/69/211741369.db2.gz YPFVJRNGDMVUSV-UHFFFAOYSA-N 0 0 354.837 4.544 10 0 FJAERN Clc1ccc(Cc2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193840 205847322 /nfs/dbraw/zinc/84/73/22/205847322.db2.gz IFGACVHCEJYDEV-UHFFFAOYSA-N 0 0 366.833 4.843 10 0 FJAERN CCCCCOc1ccc(/C=C\C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000096437793 205876058 /nfs/dbraw/zinc/87/60/58/205876058.db2.gz XINMQDPRCYFZJY-GHXNOFRVSA-N 0 0 357.479 4.636 10 0 FJAERN COc1ccc(Cl)cc1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097151147 205898519 /nfs/dbraw/zinc/89/85/19/205898519.db2.gz LYWCSYDXAGICFC-LBPRGKRZSA-N 0 0 352.261 4.764 10 0 FJAERN C[C@H]1CCc2c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)csc2C1 ZINC000105275516 206005102 /nfs/dbraw/zinc/00/51/02/206005102.db2.gz OZUYEQISRGAQDQ-SCLBCKFNSA-N 0 0 365.502 4.727 10 0 FJAERN Cc1c(C(=O)N[C@H](C)c2ccccc2Cl)cnn1-c1cccc(Cl)c1 ZINC000105865601 206010605 /nfs/dbraw/zinc/01/06/05/206010605.db2.gz KKMINCNIKNEUKY-GFCCVEGCSA-N 0 0 374.271 4.979 10 0 FJAERN C[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccccc1Br ZINC000105974612 206011557 /nfs/dbraw/zinc/01/15/57/206011557.db2.gz PYEJJMDLQHPATH-LLVKDONJSA-N 0 0 368.221 4.537 10 0 FJAERN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000106089457 206013854 /nfs/dbraw/zinc/01/38/54/206013854.db2.gz WSMAOTQCVMLYNY-UHFFFAOYSA-N 0 0 355.388 4.636 10 0 FJAERN O=C(N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1(c2cccc(F)c2)CCC1 ZINC000108689821 206037439 /nfs/dbraw/zinc/03/74/39/206037439.db2.gz PYKLJKIQMJSEKV-LJQANCHMSA-N 0 0 373.855 4.501 10 0 FJAERN CCCc1cc(NC)c2cc(Br)cc(Br)c2n1 ZINC000110115671 206070728 /nfs/dbraw/zinc/07/07/28/206070728.db2.gz LTPXMHQVDLGGMJ-UHFFFAOYSA-N 0 0 358.077 4.754 10 0 FJAERN C[C@@H](Nc1ccc(Br)cn1)c1cccc(Br)c1 ZINC000038012648 211695620 /nfs/dbraw/zinc/69/56/20/211695620.db2.gz URCYAFGGCZFGKK-SECBINFHSA-N 0 0 356.061 4.780 10 0 FJAERN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(F)cc1 ZINC000226287969 206119438 /nfs/dbraw/zinc/11/94/38/206119438.db2.gz JSJXHNPIWNZXBF-UHFFFAOYSA-N 0 0 360.388 4.547 10 0 FJAERN O=C(Nc1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1)C(F)(F)F ZINC000226358373 206122380 /nfs/dbraw/zinc/12/23/80/206122380.db2.gz WGSWIMXGQFMETE-UHFFFAOYSA-N 0 0 367.710 4.614 10 0 FJAERN Cc1cc(C)c(C)c(C(=O)c2ccc(I)cc2)c1C ZINC000036940026 211675528 /nfs/dbraw/zinc/67/55/28/211675528.db2.gz RSEFRDWCECBYLF-UHFFFAOYSA-N 0 0 364.226 4.756 10 0 FJAERN [NH3+]C[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1Cl ZINC000103989434 206235506 /nfs/dbraw/zinc/23/55/06/206235506.db2.gz JDPJLRIPSOVIIG-CQSZACIVSA-N 0 0 361.066 4.835 10 0 FJAERN O[C@@H](Cc1cccc(Br)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000103930801 206235663 /nfs/dbraw/zinc/23/56/63/206235663.db2.gz XESYNPDROXVPAW-ZDUSSCGKSA-N 0 0 360.078 4.902 10 0 FJAERN O[C@@H](Cc1ccccc1Br)Cc1c(Cl)cccc1Cl ZINC000103939425 206236220 /nfs/dbraw/zinc/23/62/20/206236220.db2.gz WEZUDRVLILDVRX-NSHDSACASA-N 0 0 360.078 4.902 10 0 FJAERN NC(=S)c1ccc(Cl)cc1Oc1ccc(F)cc1Br ZINC000104177763 206236615 /nfs/dbraw/zinc/23/66/15/206236615.db2.gz AIYLBJZVPYUMHP-UHFFFAOYSA-N 0 0 360.635 4.668 10 0 FJAERN O=C(N[C@@H]1CCCc2ccccc21)c1cc(Br)ccc1Cl ZINC000005442940 206239400 /nfs/dbraw/zinc/23/94/00/206239400.db2.gz LYGBLLIHDKJPPX-MRXNPFEDSA-N 0 0 364.670 4.910 10 0 FJAERN O=C(c1ccc(-c2cccc(I)c2)s1)C1CC1 ZINC000036927491 211675368 /nfs/dbraw/zinc/67/53/68/211675368.db2.gz KJQUCIAVQZNSTC-UHFFFAOYSA-N 0 0 354.212 4.612 10 0 FJAERN ClC1(Br)[C@@H]2CC[C@H]3[C@H](CC[C@@H]21)C3(Cl)Br ZINC000169795519 206267952 /nfs/dbraw/zinc/26/79/52/206267952.db2.gz SFVAUXRMMFFMJV-CLEOHUHOSA-N 0 0 362.920 4.712 10 0 FJAERN O[C@H](Cc1ccc(Br)s1)c1cccc(C(F)(F)F)c1 ZINC000053782214 206314326 /nfs/dbraw/zinc/31/43/26/206314326.db2.gz SEPNMBOKDBLBFQ-LLVKDONJSA-N 0 0 351.187 4.806 10 0 FJAERN COc1ccc([C@H](C)Nc2cccc(I)c2)cc1F ZINC000020478429 206333695 /nfs/dbraw/zinc/33/36/95/206333695.db2.gz MGJVRZKNPYIVHB-JTQLQIEISA-N 0 0 371.193 4.612 10 0 FJAERN NC(=O)c1cc2c(cncc2Nc2ccc(-c3ccc(F)cc3)cc2)s1 ZINC000211868513 206339656 /nfs/dbraw/zinc/33/96/56/206339656.db2.gz CWYQHRCSGIZBIG-UHFFFAOYSA-N 0 0 363.417 4.945 10 0 FJAERN Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2Cl)o1 ZINC000028238983 206471731 /nfs/dbraw/zinc/47/17/31/206471731.db2.gz YJJIQSVEKWNNFE-UHFFFAOYSA-N 0 0 355.821 4.750 10 0 FJAERN CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1C(F)(F)F ZINC000027975689 206461913 /nfs/dbraw/zinc/46/19/13/206461913.db2.gz UBSAPPVUKJUBOI-SFHVURJKSA-N 0 0 363.379 4.990 10 0 FJAERN O=C(Cn1c2ccccc2nc1-c1cccs1)Nc1cccc(F)c1 ZINC000028188220 211480674 /nfs/dbraw/zinc/48/06/74/211480674.db2.gz CTVGJHLKZRVLRG-UHFFFAOYSA-N 0 0 351.406 4.543 10 0 FJAERN Cc1noc(-c2ccc(C(C)(C)C)cc2)c1C(=O)NCc1ccsc1 ZINC000022669552 211360551 /nfs/dbraw/zinc/36/05/51/211360551.db2.gz UQKUOPUMSNEYBD-UHFFFAOYSA-N 0 0 354.475 4.939 10 0 FJAERN C[C@H](Nc1cc2c(cc1Cl)NC(=O)C2)c1ccc(Br)s1 ZINC000038002677 211342889 /nfs/dbraw/zinc/34/28/89/211342889.db2.gz JKYCPXJJDPHWJX-ZETCQYMHSA-N 0 0 371.687 4.832 10 0 FJAERN COC(=O)Nc1cccc(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038003435 211342798 /nfs/dbraw/zinc/34/27/98/211342798.db2.gz QAYJMPDAGIOEPB-VIFPVBQESA-N 0 0 355.257 4.862 10 0 FJAERN Cc1nn([C@@H](C)C(=O)Nc2cccc(C)c2C)c(C)c1Cc1ccccc1 ZINC000021785244 211325482 /nfs/dbraw/zinc/32/54/82/211325482.db2.gz IZOUIRGJFXMPKN-IBGZPJMESA-N 0 0 361.489 4.907 10 0 FJAERN Fc1ccc(OCc2cccc(Br)c2)c(Br)c1 ZINC000021520826 211315588 /nfs/dbraw/zinc/31/55/88/211315588.db2.gz MITNDYJROIWBIO-UHFFFAOYSA-N 0 0 360.020 4.930 10 0 FJAERN Cc1cc(C)cc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000021104413 211305554 /nfs/dbraw/zinc/30/55/54/211305554.db2.gz CSOHHFWWEWZRAU-OAQYLSRUSA-N 0 0 361.420 4.604 10 0 FJAERN C[C@@H]1C[C@@H]1c1ccc(CNc2ccccc2I)o1 ZINC000020480136 211281715 /nfs/dbraw/zinc/28/17/15/211281715.db2.gz YJGNIZJNBAVGEH-PWSUYJOCSA-N 0 0 353.203 4.620 10 0 FJAERN Ic1cccc(N[C@@H]2CCSc3ccccc32)c1 ZINC000020478780 211281726 /nfs/dbraw/zinc/28/17/26/211281726.db2.gz QPPHEWZHWCOASU-CQSZACIVSA-N 0 0 367.255 4.940 10 0 FJAERN Nc1c(Cl)cc(Cl)cc1-c1nc2cc(Br)ccc2[nH]1 ZINC000037441257 211179126 /nfs/dbraw/zinc/17/91/26/211179126.db2.gz CGEDCFANXXOTOG-UHFFFAOYSA-N 0 0 357.038 4.881 10 0 FJAERN CCOCCOc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000010215632 210867381 /nfs/dbraw/zinc/86/73/81/210867381.db2.gz ONRKIONJLJUXHA-UHFFFAOYSA-N 0 0 354.233 4.661 10 0 FJAERN CCCCOc1ccc(NC(=O)c2ccccc2OCCOCC)cc1 ZINC000009825247 210853430 /nfs/dbraw/zinc/85/34/30/210853430.db2.gz JKPPSFJRPABRQC-UHFFFAOYSA-N 0 0 357.450 4.533 10 0 FJAERN O=C1c2ccccc2C(=O)N1c1cccc(-c2nc3ccccc3s2)c1 ZINC000009694277 210848351 /nfs/dbraw/zinc/84/83/51/210848351.db2.gz WRGCFWIGHOWJNK-UHFFFAOYSA-N 0 0 356.406 4.764 10 0 FJAERN COc1cc(/C=C/C(=O)Nc2nc3ccccc3s2)ccc1OC(C)C ZINC000007767512 210754189 /nfs/dbraw/zinc/75/41/89/210754189.db2.gz ZDLJMPGXFJZMTI-PKNBQFBNSA-N 0 0 368.458 4.744 10 0 FJAERN Cc1ccc2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2n1 ZINC000006865744 210710581 /nfs/dbraw/zinc/71/05/81/210710581.db2.gz GDHRABWNLSQTAK-UHFFFAOYSA-N 0 0 361.228 4.868 10 0 FJAERN CCc1cccc2c([C@@H](CC(=O)NC3CC3)c3cccc(F)c3)c[nH]c21 ZINC000006740738 210694344 /nfs/dbraw/zinc/69/43/44/210694344.db2.gz PVMZJVLOQVHQDV-IBGZPJMESA-N 0 0 350.437 4.670 10 0 FJAERN COc1cccc(-n2c(SC(C)C)nnc2-c2c[nH]c3ccccc32)c1 ZINC000006245590 210665358 /nfs/dbraw/zinc/66/53/58/210665358.db2.gz FLHRBKKSHADGCB-UHFFFAOYSA-N 0 0 364.474 4.925 10 0 FJAERN CC(C)Cc1nnc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)s1 ZINC000005859617 210644102 /nfs/dbraw/zinc/64/41/02/210644102.db2.gz NUFGNFSZYVKAJF-JXAWBTAJSA-N 0 0 363.486 4.916 10 0 FJAERN CCOc1cccc2c1OC1(CCCCC1)N1N=C(c3cccnc3)C[C@@H]21 ZINC000004715920 210555753 /nfs/dbraw/zinc/55/57/53/210555753.db2.gz CNWISQJWDLFGAH-IBGZPJMESA-N 0 0 363.461 4.684 10 0 FJAERN C[C@@H]1CCC(=O)[C@@H]([C@@H](CC(=O)c2ccccc2)c2ccc3c(c2)OCO3)C1 ZINC000004125134 210511953 /nfs/dbraw/zinc/51/19/53/210511953.db2.gz QDCYTMXABOGCOO-AYOQOUSVSA-N 0 0 364.441 4.777 10 0 FJAERN CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(F)(F)F ZINC000001973727 210376168 /nfs/dbraw/zinc/37/61/68/210376168.db2.gz QXOPKEPVINYWLE-UHFFFAOYSA-N 0 0 371.380 4.655 10 0 FJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1F ZINC000001924661 210375215 /nfs/dbraw/zinc/37/52/15/210375215.db2.gz WOGOGLJKBPFRIU-JXMROGBWSA-N 0 0 364.214 4.639 10 0 FJAERN CCOc1ccc(Cc2nnc(SCc3ccccc3)n2C)cc1Cl ZINC000026807537 220522110 /nfs/dbraw/zinc/52/21/10/220522110.db2.gz VFZYHNLMVYXFHA-UHFFFAOYSA-N 0 0 373.909 4.750 10 0 FJAERN Cc1cccc(Cn2ccc(NC(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000027916384 220550817 /nfs/dbraw/zinc/55/08/17/220550817.db2.gz LDCABRUEKQDYSA-UHFFFAOYSA-N 0 0 374.366 4.903 10 0 FJAERN CCc1cccc(OCC(=O)Nc2ccc(CC)cc2Br)c1 ZINC000065000635 221163179 /nfs/dbraw/zinc/16/31/79/221163179.db2.gz IWZSMUHMHZNEKV-UHFFFAOYSA-N 0 0 362.267 4.591 10 0 FJAERN CCCCN(C)C(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000065025554 221163888 /nfs/dbraw/zinc/16/38/88/221163888.db2.gz CZVCJKHVMYZOGI-UHFFFAOYSA-N 0 0 366.509 4.760 10 0 FJAERN Cc1ccccc1Nc1nccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000065148219 221171568 /nfs/dbraw/zinc/17/15/68/221171568.db2.gz UUNUUQDVHFJFCQ-IBGZPJMESA-N 0 0 372.472 4.548 10 0 FJAERN Nc1nc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3s2)c(Cl)n1 ZINC000066054611 221238970 /nfs/dbraw/zinc/23/89/70/221238970.db2.gz AFTVMGZOKQFHDH-UHFFFAOYSA-N 0 0 365.167 4.661 10 0 FJAERN C[C@H](CC(=O)Nc1cccc(I)c1)CC(C)(C)C ZINC000070140059 221331722 /nfs/dbraw/zinc/33/17/22/221331722.db2.gz BCFAHHXIKZXBGW-LLVKDONJSA-N 0 0 359.251 4.692 10 0 FJAERN CCCOC(=O)[C@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000071372551 221344699 /nfs/dbraw/zinc/34/46/99/221344699.db2.gz YCTPTBUUJGAODG-LBPRGKRZSA-N 0 0 369.339 4.613 10 0 FJAERN C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Br)c1ccccc1 ZINC000071843727 221381291 /nfs/dbraw/zinc/38/12/91/221381291.db2.gz PAYQIXXOAXBUES-OLZOCXBDSA-N 0 0 364.308 4.807 10 0 FJAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCC[C@@H]1C ZINC000226330291 132250473 /nfs/dbraw/zinc/25/04/73/132250473.db2.gz 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/nfs/dbraw/zinc/34/33/92/222343392.db2.gz QQLWJDDLIUDSGQ-UHFFFAOYSA-N 0 0 367.445 4.548 10 0 FJAERN CNc1ccc(Cl)c(COc2ccc(Cl)cc2Br)n1 ZINC000103978209 222346819 /nfs/dbraw/zinc/34/68/19/222346819.db2.gz IEAFGLPYYSGUTI-UHFFFAOYSA-N 0 0 362.054 4.772 10 0 FJAERN O=C(Cc1ccc(Br)cc1F)c1ccccc1Br ZINC000103944557 222347569 /nfs/dbraw/zinc/34/75/69/222347569.db2.gz QPTJTZACXWDPRT-UHFFFAOYSA-N 0 0 372.031 4.776 10 0 FJAERN CCCNc1cc(CCC)nc2c(I)cccc12 ZINC000103993708 222348553 /nfs/dbraw/zinc/34/85/53/222348553.db2.gz NXFDPRNCBZTBOB-UHFFFAOYSA-N 0 0 354.235 4.614 10 0 FJAERN CC[C@H](C)c1ccc([C@@H](O)c2ccccc2I)cc1 ZINC000104046199 222349134 /nfs/dbraw/zinc/34/91/34/222349134.db2.gz GLBYCFFFSDFWAK-YVEFUNNKSA-N 0 0 366.242 4.886 10 0 FJAERN C[C@H]1CCc2c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)csc2C1 ZINC000105275525 222366472 /nfs/dbraw/zinc/36/64/72/222366472.db2.gz OZUYEQISRGAQDQ-UGSOOPFHSA-N 0 0 365.502 4.727 10 0 FJAERN C[C@H](NC(=O)CCc1cccc(Cl)c1)c1ccccc1Br ZINC000105286063 222367070 /nfs/dbraw/zinc/36/70/70/222367070.db2.gz QKIGIFOOWYMAST-LBPRGKRZSA-N 0 0 366.686 4.913 10 0 FJAERN CC[C@@H](NC(=O)c1c(C)oc(C)c1Br)c1ccc(OC)cc1 ZINC000105975799 222379358 /nfs/dbraw/zinc/37/93/58/222379358.db2.gz DQVPPGRALNTMGB-CQSZACIVSA-N 0 0 366.255 4.549 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1cnc2ccccc2n1 ZINC000085332625 518803580 /nfs/dbraw/zinc/80/35/80/518803580.db2.gz XKCNJCWKVFIFJS-AWEZNQCLSA-N 0 0 359.495 4.512 10 0 FJAERN Cc1ccc(-n2cc(CN(C)Cc3cc[nH]n3)c(-c3cccc(C)c3)n2)cc1 ZINC000020166411 525907690 /nfs/dbraw/zinc/90/76/90/525907690.db2.gz OTUNQKOFGZJYFT-UHFFFAOYSA-N 0 0 371.488 4.511 10 0 FJAERN CC1(C)C[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)c2ccccc21 ZINC000188587185 567973697 /nfs/dbraw/zinc/97/36/97/567973697.db2.gz PUHISHMGROIPAY-FQEVSTJZSA-N 0 0 358.489 4.650 10 0 FJAERN CC[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc(F)ccc1F ZINC000188607848 567987593 /nfs/dbraw/zinc/98/75/93/567987593.db2.gz OBOXHMUPRLDURR-LJQANCHMSA-N 0 0 368.431 4.657 10 0 FJAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)cs1 ZINC000186898513 568005291 /nfs/dbraw/zinc/00/52/91/568005291.db2.gz BMNSSHXHFIPVDZ-AWEZNQCLSA-N 0 0 355.385 4.839 10 0 FJAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)C(C)(C)c2ccccc2)cs1 ZINC000186899978 568006160 /nfs/dbraw/zinc/00/61/60/568006160.db2.gz FOWSBKKLOQZTAG-KSSFIOAISA-N 0 0 357.523 4.664 10 0 FJAERN Cc1csc(-c2cccc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)n1 ZINC000159303852 568123820 /nfs/dbraw/zinc/12/38/20/568123820.db2.gz SQLNWUGTICZZOR-CABCVRRESA-N 0 0 368.424 4.969 10 0 FJAERN CC(=O)O[C@H]1C[C@H](O)/C(C)=C\CC/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 ZINC000604381257 568286781 /nfs/dbraw/zinc/28/67/81/568286781.db2.gz CYYUWGMNGVIXIX-KCTNWGQVSA-N 0 0 364.526 4.710 10 0 FJAERN CC(=O)O[C@@H]1C[C@@H](O)/C(C)=C\CC/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 ZINC000604381265 568286789 /nfs/dbraw/zinc/28/67/89/568286789.db2.gz CYYUWGMNGVIXIX-RMTDCMFUSA-N 0 0 364.526 4.710 10 0 FJAERN CC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)[C@@]1(O)Cn1cncn1 ZINC000020568404 570919676 /nfs/dbraw/zinc/91/96/76/570919676.db2.gz SJCZUGCHQJNQGJ-QKAYDNCFSA-N 0 0 366.292 4.610 10 0 FJAERN CCCCNC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000034831638 571074623 /nfs/dbraw/zinc/07/46/23/571074623.db2.gz BDZKMORCSTZVDT-UHFFFAOYSA-N 0 0 370.456 4.593 10 0 FJAERN COC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000027843646 571128100 /nfs/dbraw/zinc/12/81/00/571128100.db2.gz FVIBFMBTKOCWJO-BFPSFQEHSA-N 0 0 362.554 4.612 10 0 FJAERN CC(C)(C)OC(=O)N(CC(=O)CCCC(F)(F)F)Cc1ccccc1 ZINC000685960255 571142323 /nfs/dbraw/zinc/14/23/23/571142323.db2.gz ANDKBRPLJRAFHJ-UHFFFAOYSA-N 0 0 359.388 4.725 10 0 FJAERN Oc1ccccc1C1=N[C@@H](c2cccs2)N[C@H](c2ccc(F)cc2)C1 ZINC000058015099 571145418 /nfs/dbraw/zinc/14/54/18/571145418.db2.gz KRBNFUVRHRDULX-JXFKEZNVSA-N 0 0 352.434 4.815 10 0 FJAERN Brc1ccc2c(Br)cnc(Br)c2c1 ZINC000044628818 571150811 /nfs/dbraw/zinc/15/08/11/571150811.db2.gz SBVINSZFJGXUJC-UHFFFAOYSA-N 0 0 365.850 4.522 10 0 FJAERN CCc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 ZINC000224290872 571198754 /nfs/dbraw/zinc/19/87/54/571198754.db2.gz KRHWZXBMIGYKQC-UHFFFAOYSA-N 0 0 352.369 4.614 10 0 FJAERN Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1C ZINC000224290629 571198761 /nfs/dbraw/zinc/19/87/61/571198761.db2.gz LMSLCCYJUGTIQC-UHFFFAOYSA-N 0 0 352.369 4.669 10 0 FJAERN Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc(Br)c1O ZINC000226243401 571276034 /nfs/dbraw/zinc/27/60/34/571276034.db2.gz GDCIWTIKNJBILV-QPJJXVBHSA-N 0 0 366.642 4.768 10 0 FJAERN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000226282440 571276311 /nfs/dbraw/zinc/27/63/11/571276311.db2.gz KDSBASYRSUXMIH-UHFFFAOYSA-N 0 0 352.287 4.549 10 0 FJAERN COc1cc(C=O)cc(CSC)c1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226288735 571276406 /nfs/dbraw/zinc/27/64/06/571276406.db2.gz IHWCZPSOCXIUBQ-UHFFFAOYSA-N 0 0 372.486 4.887 10 0 FJAERN Oc1ccc(-c2cncc(NCc3cccc(OC(F)(F)F)c3)c2)cc1 ZINC000035846470 210246714 /nfs/dbraw/zinc/24/67/14/210246714.db2.gz PLWWBNHOUOPASK-UHFFFAOYSA-N 0 0 360.335 4.965 10 0 FJAERN CCOC(=O)COc1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 ZINC000033895336 210246496 /nfs/dbraw/zinc/24/64/96/210246496.db2.gz OFHHUWUBFXVGCK-UHFFFAOYSA-N 0 0 368.458 4.804 10 0 FJAERN Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(C)(C)C)on1 ZINC000027304149 210242748 /nfs/dbraw/zinc/24/27/48/210242748.db2.gz SLOLPUCHQAUMGG-UHFFFAOYSA-N 0 0 370.493 4.849 10 0 FJAERN Cc1ccc2c(c1)C(c1ccccc1)=N[C@H](c1ccccc1)CC(=O)N2C ZINC000018322699 210236927 /nfs/dbraw/zinc/23/69/27/210236927.db2.gz GVSHBKWNJNNLPW-NRFANRHFSA-N 0 0 354.453 4.940 10 0 FJAERN O[C@@](c1ccccc1)(c1ccncc1)[C@H](c1ccccc1)c1ccccn1 ZINC000005162573 210228837 /nfs/dbraw/zinc/22/88/37/210228837.db2.gz RZDJSFPOYCJGJJ-RPWUZVMVSA-N 0 0 352.437 4.545 10 0 FJAERN O=C(c1cc(Br)ccc1NCc1ccccc1)N1CCCCC1 ZINC000255188029 210214916 /nfs/dbraw/zinc/21/49/16/210214916.db2.gz IJSUJWCEVFSOJJ-UHFFFAOYSA-N 0 0 373.294 4.687 10 0 FJAERN COc1cc(CO)cc(CSC)c1OCc1ccc(Cl)cc1Cl ZINC000226288359 210176453 /nfs/dbraw/zinc/17/64/53/210176453.db2.gz 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O=NN(C1CCCCC1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 ZINC000005279840 204200919 /nfs/dbraw/zinc/20/09/19/204200919.db2.gz DNDCAXHLEYVGFX-FPOVZHCZSA-N 0 0 350.418 4.688 10 0 FJAERN O=NN(C1CCCCC1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 ZINC000005279736 204200965 /nfs/dbraw/zinc/20/09/65/204200965.db2.gz DNDCAXHLEYVGFX-PZJWPPBQSA-N 0 0 350.418 4.688 10 0 FJAERN CC(C)CCCCCCCCCCCCCCC(=O)N(CCO)CCO ZINC000005757987 204224126 /nfs/dbraw/zinc/22/41/26/204224126.db2.gz XHUUHJFOYQREKL-UHFFFAOYSA-N 0 0 371.606 4.917 10 0 FJAERN CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO ZINC000005819990 204225505 /nfs/dbraw/zinc/22/55/05/204225505.db2.gz WECGLUPZRHILCT-RHXDWXJHSA-N 0 0 354.531 4.696 10 0 FJAERN CCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1 ZINC000005951244 204232340 /nfs/dbraw/zinc/23/23/40/204232340.db2.gz MCWVHWIVTFVSJT-UHFFFAOYSA-N 0 0 355.434 4.685 10 0 FJAERN COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 ZINC000006216776 204241504 /nfs/dbraw/zinc/24/15/04/204241504.db2.gz RSTCVZGYMYJYJM-UHFFFAOYSA-N 0 0 364.470 4.950 10 0 FJAERN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)cc(C)c1 ZINC000006386423 204246675 /nfs/dbraw/zinc/24/66/75/204246675.db2.gz SVSLCXBASQOFOZ-QPJJXVBHSA-N 0 0 360.251 4.726 10 0 FJAERN C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)c1ccc(Cl)cc1 ZINC000059350815 212017303 /nfs/dbraw/zinc/01/73/03/212017303.db2.gz IVUXPRIOLHFHPH-SECBINFHSA-N 0 0 358.747 4.963 10 0 FJAERN COc1ccc(OC)c(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 ZINC000007472324 204298321 /nfs/dbraw/zinc/29/83/21/204298321.db2.gz HGDQMWVOEJDFOO-UHFFFAOYSA-N 0 0 368.458 4.696 10 0 FJAERN Cc1ccccc1NC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806222 204272300 /nfs/dbraw/zinc/27/23/00/204272300.db2.gz ZTHUZWFUXBIXOO-UHFFFAOYSA-N 0 0 351.475 4.847 10 0 FJAERN CCC(=O)Nc1cc(NC(=O)CC)cc(-c2nc3ccccc3s2)c1 ZINC000008187204 204320864 /nfs/dbraw/zinc/32/08/64/204320864.db2.gz ZVRSPJWLDAIFSQ-UHFFFAOYSA-N 0 0 353.447 4.660 10 0 FJAERN CCOCCOc1cccc(C(=O)Nc2cccc(OCCC(C)C)c2)c1 ZINC000010216106 204391293 /nfs/dbraw/zinc/39/12/93/204391293.db2.gz 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/nfs/dbraw/zinc/01/85/64/205018564.db2.gz ANKOVMHMDBNRLK-ZETCQYMHSA-N 0 0 363.038 4.840 10 0 FJAERN CCCCCOc1cc(Cl)ccc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000036636281 205019841 /nfs/dbraw/zinc/01/98/41/205019841.db2.gz AIJUGWGWZYROOF-GASCZTMLSA-N 0 0 373.946 4.576 10 0 FJAERN COc1ccc(Br)cc1CNc1ccccc1Br ZINC000036804425 205022009 /nfs/dbraw/zinc/02/20/09/205022009.db2.gz FTAMHFMCOQLWNX-UHFFFAOYSA-N 0 0 371.072 4.832 10 0 FJAERN Cc1cc2[nH]c(-c3ccc(I)cc3)nc2cc1Cl ZINC000073638962 205031788 /nfs/dbraw/zinc/03/17/88/205031788.db2.gz CHNNQEWSBAVWRQ-UHFFFAOYSA-N 0 0 368.605 4.796 10 0 FJAERN CC(C)Oc1c(O)ccc2c1nc(C(C)C)n(-c1ccc(Cl)cc1)c2=O ZINC000039124351 205044819 /nfs/dbraw/zinc/04/48/19/205044819.db2.gz ZRWGZYOSNCAFFF-UHFFFAOYSA-N 0 0 372.852 4.655 10 0 FJAERN CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000040178794 205062293 /nfs/dbraw/zinc/06/22/93/205062293.db2.gz SKRKLDMRCXZDGM-UHFFFAOYSA-N 0 0 363.413 4.992 10 0 FJAERN CC(C)CCn1c2ccccc2nc1[C@@H](C)NC(=O)/C=C\c1ccccc1 ZINC000040191324 205062796 /nfs/dbraw/zinc/06/27/96/205062796.db2.gz UQLHBMBZLBATBN-SWNWVQGVSA-N 0 0 361.489 4.973 10 0 FJAERN Cc1oc(-c2ccc(Br)cc2)cc1C(=O)NCc1ccco1 ZINC000040179471 205062982 /nfs/dbraw/zinc/06/29/82/205062982.db2.gz HAQVJOFCJNVBSS-UHFFFAOYSA-N 0 0 360.207 4.541 10 0 FJAERN CC(C)(O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000040225179 205063082 /nfs/dbraw/zinc/06/30/82/205063082.db2.gz IDJQBJCYHBTUPV-UHFFFAOYSA-N 0 0 360.457 4.886 10 0 FJAERN CC(C)OC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210990 205063367 /nfs/dbraw/zinc/06/33/67/205063367.db2.gz CWPILSGARNLMTN-UHFFFAOYSA-N 0 0 363.244 4.962 10 0 FJAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)c1 ZINC000040239698 205064178 /nfs/dbraw/zinc/06/41/78/205064178.db2.gz CMZIKHLVKCYUIN-UHFFFAOYSA-N 0 0 355.441 4.675 10 0 FJAERN Cc1cccc(C(=O)NCc2nc3ccccc3n2CCc2ccccc2)c1 ZINC000040276918 205065375 /nfs/dbraw/zinc/06/53/75/205065375.db2.gz NSGHIYGUBKTUBK-UHFFFAOYSA-N 0 0 369.468 4.517 10 0 FJAERN Cc1cc2nc(CCCO)n(Cc3ccc(C(C)(C)C)cc3)c2cc1C ZINC000040310960 205066847 /nfs/dbraw/zinc/06/68/47/205066847.db2.gz OZQWOCNIXBWHOI-UHFFFAOYSA-N 0 0 350.506 4.924 10 0 FJAERN CCc1ccc2oc(C(=O)NCc3nc4ccccc4s3)c(C)c2c1 ZINC000040324131 205066963 /nfs/dbraw/zinc/06/69/63/205066963.db2.gz GDLCOUBLTZAEKP-UHFFFAOYSA-N 0 0 350.443 4.843 10 0 FJAERN Cc1nc(C(=O)Nc2nc3ccccc3s2)c(-c2ccccc2)s1 ZINC000040326836 205067165 /nfs/dbraw/zinc/06/71/65/205067165.db2.gz PWRPNNFAVKVENH-UHFFFAOYSA-N 0 0 351.456 4.981 10 0 FJAERN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC000040306519 205067215 /nfs/dbraw/zinc/06/72/15/205067215.db2.gz WQTMNXCANNLBJZ-UHFFFAOYSA-N 0 0 355.441 4.959 10 0 FJAERN COc1ccccc1Nc1ncnc(Oc2ccc(Cl)c(C)c2)c1N ZINC000040781566 205081000 /nfs/dbraw/zinc/08/10/00/205081000.db2.gz LECFZIJUEHSVGU-UHFFFAOYSA-N 0 0 356.813 4.565 10 0 FJAERN COc1ccc(Oc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 ZINC000040798046 205081299 /nfs/dbraw/zinc/08/12/99/205081299.db2.gz FZFFYVJWCGOLLI-UHFFFAOYSA-N 0 0 371.824 4.922 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3cc(Cl)ccc3Cl)c2N)nc1 ZINC000040778352 205081812 /nfs/dbraw/zinc/08/18/12/205081812.db2.gz KOQKLVIEUNXARH-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3ccccc3Br)c2N)cc1 ZINC000040781393 205081873 /nfs/dbraw/zinc/08/18/73/205081873.db2.gz OXUAAKPCCDRLAQ-UHFFFAOYSA-N 0 0 370.254 4.617 10 0 FJAERN Nc1c(Oc2ccc(Br)cc2)ncnc1Sc1ccccc1 ZINC000040783257 205082330 /nfs/dbraw/zinc/08/23/30/205082330.db2.gz ZSCODLCUJZBUKW-UHFFFAOYSA-N 0 0 374.263 4.765 10 0 FJAERN CCCOc1ccc(/C=C/C(=O)Oc2ccccc2OCC)cc1OC ZINC000040890327 205084079 /nfs/dbraw/zinc/08/40/79/205084079.db2.gz SNFGWCXVFNGGKP-ACCUITESSA-N 0 0 356.418 4.502 10 0 FJAERN COc1cccc(C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)c1 ZINC000040926430 205084793 /nfs/dbraw/zinc/08/47/93/205084793.db2.gz LEOGVYKADDCQPE-UHFFFAOYSA-N 0 0 368.458 4.858 10 0 FJAERN Cc1ccc(S(=O)(=O)N(C(=O)CC(C)(C)C)c2cccc(C)c2C)cc1 ZINC000040991612 205086797 /nfs/dbraw/zinc/08/67/97/205086797.db2.gz METPTTTZOGROAB-UHFFFAOYSA-N 0 0 373.518 4.770 10 0 FJAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1C ZINC000041018560 205087263 /nfs/dbraw/zinc/08/72/63/205087263.db2.gz BFQBRYRXQWGFCN-DHZHZOJOSA-N 0 0 360.251 4.808 10 0 FJAERN COc1ccc(CNc2nc3ccccc3c(NCc3ccccc3)n2)cc1 ZINC000041151152 205088574 /nfs/dbraw/zinc/08/85/74/205088574.db2.gz TYXGSVZSAULODZ-UHFFFAOYSA-N 0 0 370.456 4.863 10 0 FJAERN Brc1ccc2c(Br)c(Br)cnc2c1 ZINC000041702642 205091353 /nfs/dbraw/zinc/09/13/53/205091353.db2.gz GMJVEIBIVYINCF-UHFFFAOYSA-N 0 0 365.850 4.522 10 0 FJAERN Nc1c(Nc2cccc(C(F)(F)F)c2)ncnc1N1CCc2ccccc21 ZINC000040687369 205075389 /nfs/dbraw/zinc/07/53/89/205075389.db2.gz QXLQVTBCXGERES-UHFFFAOYSA-N 0 0 371.366 4.515 10 0 FJAERN CC(C)CCNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682756 205075896 /nfs/dbraw/zinc/07/58/96/205075896.db2.gz MZESCTVREXGGFA-UHFFFAOYSA-N 0 0 373.810 4.933 10 0 FJAERN COc1ccc(C)cc1Nc1ncnc(Oc2ccc(C)c(C)c2)c1N ZINC000040684532 205076200 /nfs/dbraw/zinc/07/62/00/205076200.db2.gz FJWHGRLKOVCUQW-UHFFFAOYSA-N 0 0 350.422 4.529 10 0 FJAERN Cc1ccc(Oc2ncnc(Nc3ccccc3C(F)(F)F)c2N)cc1 ZINC000040701843 205076545 /nfs/dbraw/zinc/07/65/45/205076545.db2.gz DIMBHGYBWPPYDP-UHFFFAOYSA-N 0 0 360.339 4.922 10 0 FJAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1ccccc1F ZINC000040700962 205076571 /nfs/dbraw/zinc/07/65/71/205076571.db2.gz AWRLZPKJIWTRNU-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2cc(F)ccc2F)c1N ZINC000040705073 205076923 /nfs/dbraw/zinc/07/69/23/205076923.db2.gz YHBAHVYDNLZJHO-UHFFFAOYSA-N 0 0 361.783 4.786 10 0 FJAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2ccc(C)cc2C)c1N ZINC000040702349 205077240 /nfs/dbraw/zinc/07/72/40/205077240.db2.gz VQCGQCDBJVQSFY-UHFFFAOYSA-N 0 0 369.856 4.825 10 0 FJAERN COC(=O)c1ccccc1Nc1ccnc2cc(Br)ccc21 ZINC000054202299 205198634 /nfs/dbraw/zinc/19/86/34/205198634.db2.gz MMKHRRIIVWPYIL-UHFFFAOYSA-N 0 0 357.207 4.528 10 0 FJAERN COc1ccc(Nc2ccnc3cc(Br)ccc32)c(OC)c1 ZINC000054202310 205199009 /nfs/dbraw/zinc/19/90/09/205199009.db2.gz SCVHNLKCYANNEN-UHFFFAOYSA-N 0 0 359.223 4.758 10 0 FJAERN Nc1nc(-c2ccc(Sc3ccc(Br)cc3)cc2)ns1 ZINC000053994459 205196331 /nfs/dbraw/zinc/19/63/31/205196331.db2.gz CSDWAFNTTBJDSN-UHFFFAOYSA-N 0 0 364.293 4.701 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000059447521 205282288 /nfs/dbraw/zinc/28/22/88/205282288.db2.gz HJWICKFITBLJQU-OVCLIPMQSA-N 0 0 369.424 4.890 10 0 FJAERN O=C(c1cc(Br)ccc1Cl)N1CCC[C@H]2CCCC[C@@H]21 ZINC000014598242 220127547 /nfs/dbraw/zinc/12/75/47/220127547.db2.gz BKPGGSTVPFJBAC-ABAIWWIYSA-N 0 0 356.691 4.897 10 0 FJAERN COc1ccc2c(c1)CCC[C@]2(O)c1ccc(OCc2ccccc2)cc1 ZINC000065742780 205360939 /nfs/dbraw/zinc/36/09/39/205360939.db2.gz SEAUMVPUGNCROD-DEOSSOPVSA-N 0 0 360.453 4.846 10 0 in-vitro FJAERN CCc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)sc1C ZINC000042732670 211782709 /nfs/dbraw/zinc/78/27/09/211782709.db2.gz WGOXPQWZKNDQIN-FQEVSTJZSA-N 0 0 350.487 4.876 10 0 FJAERN CCc1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)sc1C ZINC000042732673 211781550 /nfs/dbraw/zinc/78/15/50/211781550.db2.gz WGOXPQWZKNDQIN-HXUWFJFHSA-N 0 0 350.487 4.876 10 0 FJAERN Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)[nH]2)cc1 ZINC000072451055 205554439 /nfs/dbraw/zinc/55/44/39/205554439.db2.gz MUNWAGYFMHDDLG-UHFFFAOYSA-N 0 0 373.239 4.909 10 0 FJAERN Cc1ccc(C)c(OCC(=O)Nc2ccnc3c2cccc3C(F)(F)F)c1 ZINC000041057707 211767925 /nfs/dbraw/zinc/76/79/25/211767925.db2.gz MIPUBNUBYHYZFN-UHFFFAOYSA-N 0 0 374.362 4.888 10 0 FJAERN CCc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000040868484 211762655 /nfs/dbraw/zinc/76/26/55/211762655.db2.gz RWQBILAHJXQGKZ-UHFFFAOYSA-N 0 0 357.759 4.939 10 0 FJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1 ZINC000040949234 211766341 /nfs/dbraw/zinc/76/63/41/211766341.db2.gz NWYSYLIEFNZPAH-IZZDOVSWSA-N 0 0 360.251 4.808 10 0 FJAERN COC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1cccc(Cl)c1 ZINC000040966431 211765731 /nfs/dbraw/zinc/76/57/31/211765731.db2.gz CNTCODNUXFDFQD-UHFFFAOYSA-N 0 0 351.855 4.758 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3cccc4nc(C)ccc43)c2N)cc1 ZINC000040782122 211759602 /nfs/dbraw/zinc/75/96/02/211759602.db2.gz XVVOCXCFFMSXOH-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3cccc(Br)c3)c2N)c1 ZINC000040781673 211759734 /nfs/dbraw/zinc/75/97/34/211759734.db2.gz YFYBROBNULMDRS-UHFFFAOYSA-N 0 0 370.254 4.617 10 0 FJAERN S=C(Oc1ccc(Br)cc1)c1cnc(Cl)c(Cl)c1 ZINC000095932710 205795895 /nfs/dbraw/zinc/79/58/95/205795895.db2.gz FDEXVGSHSJFOHP-UHFFFAOYSA-N 0 0 363.063 4.905 10 0 FJAERN CCOC(=O)C[C@@H](C)Nc1c(Cl)cc(Br)cc1Cl ZINC000104004480 205996337 /nfs/dbraw/zinc/99/63/37/205996337.db2.gz YNNKNLABMIPADE-SSDOTTSWSA-N 0 0 355.059 4.510 10 0 FJAERN CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000105616641 206008691 /nfs/dbraw/zinc/00/86/91/206008691.db2.gz LZJDKJQNKREWMD-LJQANCHMSA-N 0 0 350.462 4.649 10 0 FJAERN Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)c(C)n1Cc1cccs1 ZINC000105648759 206008856 /nfs/dbraw/zinc/00/88/56/206008856.db2.gz LSSLETILRKLQTE-NRFANRHFSA-N 0 0 364.514 4.974 10 0 FJAERN COc1c(Cl)cc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl ZINC000105892852 206011444 /nfs/dbraw/zinc/01/14/44/206011444.db2.gz ZFOQFOAYIFWARR-UHFFFAOYSA-N 0 0 368.260 4.719 10 0 FJAERN CCc1c(C(=O)N[C@H]2CCc3ccccc32)cnn1-c1cccc(Cl)c1 ZINC000105921821 206012462 /nfs/dbraw/zinc/01/24/62/206012462.db2.gz RQIRERMSPONSQT-IBGZPJMESA-N 0 0 365.864 4.505 10 0 FJAERN COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000107843514 206024853 /nfs/dbraw/zinc/02/48/53/206024853.db2.gz REVNIDTUZKDVCQ-HNNXBMFYSA-N 0 0 357.498 4.570 10 0 FJAERN C[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1ccccc1Cl ZINC000108930205 206041969 /nfs/dbraw/zinc/04/19/69/206041969.db2.gz BQADYPFBEYVEIT-GFCCVEGCSA-N 0 0 367.815 4.757 10 0 FJAERN Cc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000109192904 206050739 /nfs/dbraw/zinc/05/07/39/206050739.db2.gz JSKPQUUGWVDHJZ-UHFFFAOYSA-N 0 0 352.478 4.899 10 0 FJAERN Clc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)[nH]2)cc1 ZINC000226299701 206119062 /nfs/dbraw/zinc/11/90/62/206119062.db2.gz CHNYENFWRWMZRG-UHFFFAOYSA-N 0 0 350.274 4.995 10 0 FJAERN c1nncn1-c1ccc2nc(C(c3ccccc3)c3ccccc3)oc2c1 ZINC000226235880 206119261 /nfs/dbraw/zinc/11/92/61/206119261.db2.gz KBHGZSFCFCPJGL-UHFFFAOYSA-N 0 0 352.397 4.589 10 0 FJAERN Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)cc(Br)c1O ZINC000226242715 206119671 /nfs/dbraw/zinc/11/96/71/206119671.db2.gz POMFIAJBYVJPCT-UHFFFAOYSA-N 0 0 364.239 4.503 10 0 FJAERN Nc1nnc(-c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)o1 ZINC000226321763 206120985 /nfs/dbraw/zinc/12/09/85/206120985.db2.gz PRYATQHBCSOLPN-UHFFFAOYSA-N 0 0 370.623 4.858 10 0 FJAERN Nc1cc(-c2nc3c(cc(Cl)cc3Cl)[nH]2)ccc1Br ZINC000226343778 206121304 /nfs/dbraw/zinc/12/13/04/206121304.db2.gz KAMHMTISCPTKGP-UHFFFAOYSA-N 0 0 357.038 4.881 10 0 FJAERN NC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000226334072 206121816 /nfs/dbraw/zinc/12/18/16/206121816.db2.gz YCYNEQDMDCYURR-ZZXKWVIFSA-N 0 0 356.636 4.724 10 0 FJAERN COc1cc(OC)cc(-c2nc3c(cc(Cl)cc3Br)[nH]2)c1 ZINC000226343545 206122046 /nfs/dbraw/zinc/12/20/46/206122046.db2.gz PAXCIHPGNIANJJ-UHFFFAOYSA-N 0 0 367.630 4.663 10 0 FJAERN Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2ccccc2N)o1 ZINC000226348512 206122226 /nfs/dbraw/zinc/12/22/26/206122226.db2.gz NCCYQIPMLNFOSC-UHFFFAOYSA-N 0 0 371.234 4.852 10 0 FJAERN O=C(c1ccc(-c2ccc(F)c(Cl)c2)o1)n1cc(CO)c2ccccc21 ZINC000226764765 206122721 /nfs/dbraw/zinc/12/27/21/206122721.db2.gz FRLQCCONNAOZIY-UHFFFAOYSA-N 0 0 369.779 4.875 10 0 FJAERN Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000227144644 206123088 /nfs/dbraw/zinc/12/30/88/206123088.db2.gz QQDKQBVIYPJYJP-UHFFFAOYSA-N 0 0 371.234 4.852 10 0 FJAERN Cc1nc(CNc2c(Cl)cc(Br)cc2Cl)oc1C ZINC000037909349 211692534 /nfs/dbraw/zinc/69/25/34/211692534.db2.gz XHACTOUIOOGJHP-UHFFFAOYSA-N 0 0 350.043 4.973 10 0 FJAERN CCOC(=O)c1ccc2c(n1)n(C)c(Br)c2C1CCCCC1 ZINC000147567175 206142167 /nfs/dbraw/zinc/14/21/67/206142167.db2.gz XEWHWEQQZBKPIK-UHFFFAOYSA-N 0 0 365.271 4.560 10 0 FJAERN CCOc1ccc(Cl)cc1NC(=O)c1csc(Br)c1 ZINC000037790983 211687619 /nfs/dbraw/zinc/68/76/19/211687619.db2.gz BLCDVFRDCYLCPE-UHFFFAOYSA-N 0 0 360.660 4.815 10 0 FJAERN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)NC1CCCCC1 ZINC000008274397 206216459 /nfs/dbraw/zinc/21/64/59/206216459.db2.gz OQOINRHDVVVMAA-UHFFFAOYSA-N 0 0 360.889 4.656 10 0 FJAERN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Br ZINC000008055772 206246364 /nfs/dbraw/zinc/24/63/64/206246364.db2.gz ZOLMYBAUMKRKJU-JTQLQIEISA-N 0 0 368.658 4.602 10 0 FJAERN Cc1ccc(Nc2cc(Cl)ccc2C(N)=S)cc1Br ZINC000104176537 206235884 /nfs/dbraw/zinc/23/58/84/206235884.db2.gz JLXVFYTVGLCFSG-UHFFFAOYSA-N 0 0 355.688 4.789 10 0 FJAERN Nc1ccccc1C(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000010172915 206254584 /nfs/dbraw/zinc/25/45/84/206254584.db2.gz WQRPAUYNQPDFKD-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN O=C(c1ccc(Br)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000169333163 206251512 /nfs/dbraw/zinc/25/15/12/206251512.db2.gz NLMOIGOBLFUGEG-SFHVURJKSA-N 0 0 352.231 4.859 10 0 FJAERN CCCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)Nc1ccccc1 ZINC000036012767 211648683 /nfs/dbraw/zinc/64/86/83/211648683.db2.gz TVJHOODVSAXMMN-UHFFFAOYSA-N 0 0 365.433 4.794 10 0 FJAERN COc1ccccc1CNc1ccc(Br)cc1Br ZINC000035040489 211628813 /nfs/dbraw/zinc/62/88/13/211628813.db2.gz SATYMGDUEHRKRO-UHFFFAOYSA-N 0 0 371.072 4.832 10 0 FJAERN Cc1nc2c(s1)n(Cc1ccc(Cl)cc1)c(=O)nc2-c1ccccc1 ZINC000032616559 211553242 /nfs/dbraw/zinc/55/32/42/211553242.db2.gz FNGDUIKJFBDGFE-UHFFFAOYSA-N 0 0 367.861 4.530 10 0 FJAERN Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616568 206304007 /nfs/dbraw/zinc/30/40/07/206304007.db2.gz JMCMVWPJYWPECF-XMSQKQJNSA-N 0 0 374.465 4.809 10 0 FJAERN COc1ccc([C@@H](C)Nc2ccc(C)cc2Br)cc1OC ZINC000019901682 206328169 /nfs/dbraw/zinc/32/81/69/206328169.db2.gz CQYSRPFEHPNDIZ-GFCCVEGCSA-N 0 0 350.256 4.948 10 0 FJAERN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)Nc1ccccc1 ZINC000028226668 206468075 /nfs/dbraw/zinc/46/80/75/206468075.db2.gz BLBYVASICMUMEL-UHFFFAOYSA-N 0 0 361.232 4.882 10 0 FJAERN CC[C@H](C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccccc1 ZINC000032609700 206512332 /nfs/dbraw/zinc/51/23/32/206512332.db2.gz VBXXYXJLMIKWPC-INIZCTEOSA-N 0 0 371.843 4.856 10 0 FJAERN CCOP(=O)(OCC)[C@H](CCCCc1ccc(OC)cc1)C(C)=O ZINC000027752894 211471731 /nfs/dbraw/zinc/47/17/31/211471731.db2.gz WCQPPVLANBMAAW-GOSISDBHSA-N 0 0 356.399 4.632 10 0 FJAERN COC(=O)c1cccc(N[C@@H](C)c2ccc(Br)s2)c1C ZINC000038002793 211342099 /nfs/dbraw/zinc/34/20/99/211342099.db2.gz HCLZHRACJPUXMF-JTQLQIEISA-N 0 0 354.269 4.779 10 0 FJAERN Cc1nccn1-c1ccc(N[C@H](C)c2ccc(Br)s2)cn1 ZINC000038003242 211341909 /nfs/dbraw/zinc/34/19/09/211341909.db2.gz SNXZQXFAUWKERW-SNVBAGLBSA-N 0 0 363.284 4.573 10 0 FJAERN COc1ccc(Cl)cc1CN[C@H](C)c1ccccc1Br ZINC000037978999 211328970 /nfs/dbraw/zinc/32/89/70/211328970.db2.gz RHSPKXQSOVEUTP-LLVKDONJSA-N 0 0 354.675 4.962 10 0 FJAERN Cc1c(C[NH2+]CCC2=CCCCC2)c(C(=O)[O-])c(C)n1-c1ccccc1 ZINC000021025752 211303410 /nfs/dbraw/zinc/30/34/10/211303410.db2.gz CCQYZSOEXBPNIG-UHFFFAOYSA-N 0 0 352.478 4.772 10 0 FJAERN CCCCc1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2c1 ZINC000020977614 211301910 /nfs/dbraw/zinc/30/19/10/211301910.db2.gz PRWZDJMUMXDRSX-UHFFFAOYSA-N 0 0 370.474 4.908 10 0 FJAERN CCCN1C(=O)c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2C1=O ZINC000021126186 211306936 /nfs/dbraw/zinc/30/69/36/211306936.db2.gz PJXYRSGYUGRPIJ-UHFFFAOYSA-N 0 0 362.429 4.798 10 0 FJAERN O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccccc1Br ZINC000020508785 211285340 /nfs/dbraw/zinc/28/53/40/211285340.db2.gz AYDPEORASWIVQD-GDNBJRDFSA-N 0 0 374.259 4.686 10 0 FJAERN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(O)c2)n1 ZINC000020537197 211284869 /nfs/dbraw/zinc/28/48/69/211284869.db2.gz JPWGXEVOALZQII-XMMPIXPASA-N 0 0 369.468 4.725 10 0 FJAERN Ic1ccccc1N[C@H]1CCSc2ccccc21 ZINC000020479998 211282495 /nfs/dbraw/zinc/28/24/95/211282495.db2.gz OEKKTLJLLXTQKW-ZDUSSCGKSA-N 0 0 367.255 4.940 10 0 FJAERN CC(C)CN(CC(C)C)C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020369590 211277520 /nfs/dbraw/zinc/27/75/20/211277520.db2.gz KKAMOZYWHDEBRR-UHFFFAOYSA-N 0 0 366.505 4.622 10 0 FJAERN Cc1c[nH]c(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)c2)n1 ZINC000015079389 211121648 /nfs/dbraw/zinc/12/16/48/211121648.db2.gz ZASRZKGHPQRPRL-QHCPKHFHSA-N 0 0 356.473 4.656 10 0 FJAERN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cnc2C)cc1 ZINC000015070085 211119400 /nfs/dbraw/zinc/11/94/00/211119400.db2.gz VXZFWPDZEWPTBF-DEOSSOPVSA-N 0 0 370.500 4.910 10 0 FJAERN N=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1c1nccs1 ZINC000015054183 211117185 /nfs/dbraw/zinc/11/71/85/211117185.db2.gz HLGVEVLDASAPTI-SGOMUCOWSA-N 0 0 363.467 4.866 10 0 FJAERN CC(C)(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000014839554 211102158 /nfs/dbraw/zinc/10/21/58/211102158.db2.gz MGLPNNKZHBWZLX-FMIVXFBMSA-N 0 0 356.853 4.977 10 0 FJAERN Cc1cc(Br)cc(C)c1OCC(=O)Oc1ccccc1Cl ZINC000014778178 211101987 /nfs/dbraw/zinc/10/19/87/211101987.db2.gz YJFMTBQZAZDMHH-UHFFFAOYSA-N 0 0 369.642 4.704 10 0 FJAERN O=C(Cc1ccc(F)cc1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 ZINC000014970699 211108363 /nfs/dbraw/zinc/10/83/63/211108363.db2.gz ZCYODVZOWMHUAH-UHFFFAOYSA-N 0 0 367.464 4.738 10 0 FJAERN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1OC1CCCCC1 ZINC000013736972 211055469 /nfs/dbraw/zinc/05/54/69/211055469.db2.gz HYFCFVOGFZPFSU-UHFFFAOYSA-N 0 0 361.388 4.937 10 0 FJAERN CCCCc1ccc(-c2n[nH]c3c2C(=O)c2c-3cccc2NC(C)=O)cc1 ZINC000013492152 211035150 /nfs/dbraw/zinc/03/51/50/211035150.db2.gz ZLNXZVHHZQPIEK-UHFFFAOYSA-N 0 0 359.429 4.589 10 0 FJAERN COc1ccc(C)cc1Nc1ncnc2sc(C(=O)OC(C)C)c(C)c21 ZINC000012084682 210913477 /nfs/dbraw/zinc/91/34/77/210913477.db2.gz IOGOEOICBVPZOX-UHFFFAOYSA-N 0 0 371.462 4.626 10 0 FJAERN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006038990 210653468 /nfs/dbraw/zinc/65/34/68/210653468.db2.gz ZMHVHOREZQAFKP-SECBINFHSA-N 0 0 366.273 4.989 10 0 FJAERN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2ccco2)N1 ZINC000005447159 210620938 /nfs/dbraw/zinc/62/09/38/210620938.db2.gz BAKJDQHTMCEWCO-IBGZPJMESA-N 0 0 373.437 4.812 10 0 FJAERN O=C(C[C@@H](c1ccccc1)[C@H]1CCc2ccccc2C1=O)c1ccccn1 ZINC000005489218 210623806 /nfs/dbraw/zinc/62/38/06/210623806.db2.gz AUCWBMPPVVGVAX-RTWAWAEBSA-N 0 0 355.437 4.884 10 0 FJAERN Cc1nn(C)c(Cl)c1/C=C/c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000004284832 210520056 /nfs/dbraw/zinc/52/00/56/210520056.db2.gz MKMMTYGPWUNHDE-ZHACJKMWSA-N 0 0 356.857 4.900 10 0 FJAERN Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000002918398 210436667 /nfs/dbraw/zinc/43/66/67/210436667.db2.gz WNQAZNNJCYXLOO-LSDHHAIUSA-N 0 0 363.223 4.870 10 0 FJAERN CCOC(=O)c1cnc2c(F)ccc(F)c2c1Oc1cccnc1Cl ZINC000002158661 210381826 /nfs/dbraw/zinc/38/18/26/210381826.db2.gz BROIWVKCSQXWKM-UHFFFAOYSA-N 0 0 364.735 4.530 10 0 FJAERN COc1ccc([C@@H](C)Nc2ccc(Br)cc2C)cc1OC ZINC000019905652 220303390 /nfs/dbraw/zinc/30/33/90/220303390.db2.gz YQXVTYYEKNKJCK-GFCCVEGCSA-N 0 0 350.256 4.948 10 0 FJAERN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OC)c(Br)c1 ZINC000001904772 210374883 /nfs/dbraw/zinc/37/48/83/210374883.db2.gz LOJSRVNRRSANLU-PKNBQFBNSA-N 0 0 374.278 4.980 10 0 FJAERN C[C@@H]1CCc2c3ccccc3nc(SCC(=O)NC3CCCC3)c2C1 ZINC000001325309 210341474 /nfs/dbraw/zinc/34/14/74/210341474.db2.gz MEUOXUXEFOEFSQ-CQSZACIVSA-N 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IQSYMBFLRULFEO-UHFFFAOYSA-N 0 0 352.287 4.549 10 0 FJAERN Fc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)c(Br)c1 ZINC000057343396 203904459 /nfs/dbraw/zinc/90/44/59/203904459.db2.gz BDVKWCCEWIVTHM-UHFFFAOYSA-N 0 0 356.626 4.654 10 0 FJAERN O=c1c2coccc-2nn1SC[C@@H]1C=CCC=C1c1ccc(Cl)cc1 ZINC000006092800 203921382 /nfs/dbraw/zinc/92/13/82/203921382.db2.gz PRLDSDBFYONWHP-AWEZNQCLSA-N 0 0 370.861 4.751 10 0 FJAERN C[C@](O)(c1ccc(Br)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000013283676 203922227 /nfs/dbraw/zinc/92/22/27/203922227.db2.gz FMOPTIUCTXIIGV-PMACEKPBSA-N 0 0 368.274 4.884 10 0 FJAERN Cc1cc(CCCCCCCCOc2ccc(C3=NCCO3)cc2)on1 ZINC000028761181 203929326 /nfs/dbraw/zinc/92/93/26/203929326.db2.gz STDMGVDSBDNJJH-UHFFFAOYSA-N 0 0 356.466 4.722 10 0 FJAERN CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CCCC2 ZINC000000753992 203948321 /nfs/dbraw/zinc/94/83/21/203948321.db2.gz MAMLVCQKSSPFSI-UHFFFAOYSA-N 0 0 358.463 4.756 10 0 FJAERN Clc1cc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Cl)n1 ZINC000002387813 204036709 /nfs/dbraw/zinc/03/67/09/204036709.db2.gz KBAHJELNHFAREZ-UHFFFAOYSA-N 0 0 365.241 4.950 10 0 FJAERN Cn1cccc1/C=C1/SC(=S)N(c2ccc3ccccc3c2)C1=O ZINC000002434636 204039060 /nfs/dbraw/zinc/03/90/60/204039060.db2.gz POHVOKJSOMIKCF-SFQUDFHCSA-N 0 0 350.468 4.584 10 0 FJAERN FC(F)Oc1ccc(-c2cn3c(n2)-c2ccccc2C3)c(OC(F)F)c1 ZINC000001509446 204011066 /nfs/dbraw/zinc/01/10/66/204011066.db2.gz CQMDXYBIXKDJRY-UHFFFAOYSA-N 0 0 364.298 4.782 10 0 FJAERN CCCC(=O)Nc1sc(C)c(-c2ccc(OCC)cc2)c1C(=O)OC ZINC000001973724 204023134 /nfs/dbraw/zinc/02/31/34/204023134.db2.gz SQKJIVVTUXPNMR-UHFFFAOYSA-N 0 0 361.463 4.647 10 0 FJAERN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(C)cc3)n2)cc1 ZINC000001946039 204023800 /nfs/dbraw/zinc/02/38/00/204023800.db2.gz ZHXPNFYCXREKDR-KPKJPENVSA-N 0 0 350.443 4.779 10 0 FJAERN CCOC(=O)c1cc(-c2cccs2)nc2ccc(Br)cc21 ZINC000002145877 204026940 /nfs/dbraw/zinc/02/69/40/204026940.db2.gz QOQSCBHGNYZCKB-UHFFFAOYSA-N 0 0 362.248 4.903 10 0 FJAERN Cc1cccc2sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)nc21 ZINC000003558835 204105245 /nfs/dbraw/zinc/10/52/45/204105245.db2.gz YGDOFNUAKCVOAK-GFCCVEGCSA-N 0 0 360.866 4.973 10 0 FJAERN Cc1cccc2sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)nc21 ZINC000003558838 204106184 /nfs/dbraw/zinc/10/61/84/204106184.db2.gz YGDOFNUAKCVOAK-LBPRGKRZSA-N 0 0 360.866 4.973 10 0 FJAERN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000004585176 204149716 /nfs/dbraw/zinc/14/97/16/204149716.db2.gz AXXUHIDVIKIKLD-MRXNPFEDSA-N 0 0 368.824 4.759 10 0 FJAERN O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000004950424 204179520 /nfs/dbraw/zinc/17/95/20/204179520.db2.gz PRPANTQEIYLJCR-UHFFFAOYSA-N 0 0 363.808 4.694 10 0 FJAERN COc1ccc(/C=C\C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000005959860 204232111 /nfs/dbraw/zinc/23/21/11/204232111.db2.gz PZJZLINOOXQZBO-XQRVVYSFSA-N 0 0 352.217 4.663 10 0 FJAERN O=c1c2ccccc2nc(SCc2ccccc2)n1-c1ccccc1F ZINC000005994511 204233481 /nfs/dbraw/zinc/23/34/81/204233481.db2.gz QPCAYYBMNBUDBS-UHFFFAOYSA-N 0 0 362.429 4.817 10 0 FJAERN COc1ccc(/C=C\C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006008794 204233947 /nfs/dbraw/zinc/23/39/47/204233947.db2.gz WWCDUOBVFJBSER-SSZFMOIBSA-N 0 0 372.424 4.599 10 0 FJAERN Cc1ccc2sc(NC(=O)c3ccc(Br)cc3)nc2c1C ZINC000006478544 204249781 /nfs/dbraw/zinc/24/97/81/204249781.db2.gz RIPBCJHSRBTXAS-UHFFFAOYSA-N 0 0 361.264 4.928 10 0 FJAERN CC(C)NC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc(Cl)cc1 ZINC000006712447 204262499 /nfs/dbraw/zinc/26/24/99/204262499.db2.gz GVTHQLFDIPHYSF-GOSISDBHSA-N 0 0 354.881 4.878 10 0 FJAERN COc1ccc(-c2nc(COc3cc(C)c(Cl)c(C)c3)no2)cc1OC ZINC000006747914 204266031 /nfs/dbraw/zinc/26/60/31/204266031.db2.gz BFAGIKGXACQSHZ-UHFFFAOYSA-N 0 0 374.824 4.603 10 0 FJAERN CCc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000006791879 204270324 /nfs/dbraw/zinc/27/03/24/204270324.db2.gz JGKBJIDNULTYGK-NRFANRHFSA-N 0 0 363.436 4.827 10 0 FJAERN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1sc2ccccc2c1=O ZINC000006800051 204271528 /nfs/dbraw/zinc/27/15/28/204271528.db2.gz QQERCMRAGQEQBQ-OAHLLOKOSA-N 0 0 360.866 4.615 10 0 FJAERN CCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000006839198 204275906 /nfs/dbraw/zinc/27/59/06/204275906.db2.gz JLTTYWWRDLUCMZ-OAQYLSRUSA-N 0 0 368.502 4.937 10 0 FJAERN C[C@@H](NC(=O)c1cc(Br)ccc1F)c1ccccc1Cl ZINC000036661039 204382507 /nfs/dbraw/zinc/38/25/07/204382507.db2.gz VHXSDYKFDWURAY-SECBINFHSA-N 0 0 356.622 4.733 10 0 FJAERN CCCCOc1ccccc1C(=O)Nc1ccc(OCCOCC)cc1 ZINC000009878800 204385404 /nfs/dbraw/zinc/38/54/04/204385404.db2.gz FSKVPOMUXLVWJA-UHFFFAOYSA-N 0 0 357.450 4.533 10 0 FJAERN CC(C)COc1cccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000010012441 204388852 /nfs/dbraw/zinc/38/88/52/204388852.db2.gz ARPXUAYTWAJHRB-UHFFFAOYSA-N 0 0 370.518 4.972 10 0 FJAERN CC(C)COc1ccccc1C(=O)Nc1ccccc1OC[C@H]1CCCO1 ZINC000010156112 204392313 /nfs/dbraw/zinc/39/23/13/204392313.db2.gz GKFNXCIQUPIAET-QGZVFWFLSA-N 0 0 369.461 4.532 10 0 FJAERN Cc1ccccc1C1CC(Nc2ccccc2I)C1 ZINC000036845678 204394585 /nfs/dbraw/zinc/39/45/85/204394585.db2.gz XUNDJWOZKYTPLS-UHFFFAOYSA-N 0 0 363.242 4.958 10 0 FJAERN Cc1c(C)c(=O)oc2cc(OCc3cccc(OC(F)(F)F)c3)ccc12 ZINC000013835586 204556777 /nfs/dbraw/zinc/55/67/77/204556777.db2.gz NNYJYLXVTQSZGF-UHFFFAOYSA-N 0 0 364.319 4.887 10 0 FJAERN COc1ccc(N2C(=N)S/C(=C\C(C)=C\c3ccccc3)C2=O)cc1 ZINC000015053573 204598806 /nfs/dbraw/zinc/59/88/06/204598806.db2.gz UKLIAHXLSQWYFJ-QDYPWFFYSA-N 0 0 350.443 4.697 10 0 FJAERN Cc1cccc(C)c1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020369388 204722003 /nfs/dbraw/zinc/72/20/03/204722003.db2.gz AKFFMRZLSDVVKD-UHFFFAOYSA-N 0 0 358.441 4.737 10 0 FJAERN Cc1cc(NC(=O)c2cccc(F)c2)c2cc(Br)ccc2n1 ZINC000032605701 204932330 /nfs/dbraw/zinc/93/23/30/204932330.db2.gz XVYRXOVBFQSREV-UHFFFAOYSA-N 0 0 359.198 4.697 10 0 FJAERN COc1ccc(Cc2sc(NC(=O)CCc3ccc(C)o3)nc2C)cc1 ZINC000036639879 205020039 /nfs/dbraw/zinc/02/00/39/205020039.db2.gz VRFTUTOZIANUHZ-UHFFFAOYSA-N 0 0 370.474 4.524 10 0 FJAERN Fc1ccc(Br)cc1NCc1ccccc1Br ZINC000036750761 205020677 /nfs/dbraw/zinc/02/06/77/205020677.db2.gz KDLWCELMFIALRB-UHFFFAOYSA-N 0 0 359.036 4.963 10 0 FJAERN Cc1cc2[nH]c(-c3cccc(I)c3)nc2cc1Cl ZINC000073638963 205032092 /nfs/dbraw/zinc/03/20/92/205032092.db2.gz IBDSLAOQWVRHGS-UHFFFAOYSA-N 0 0 368.605 4.796 10 0 FJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073654781 205032360 /nfs/dbraw/zinc/03/23/60/205032360.db2.gz HRIBBYFFCAARPS-HOTGVXAUSA-N 0 0 370.534 4.525 10 0 FJAERN CC(=O)c1nc2ccccc2n1C(=O)c1ccccc1Nc1ccccc1 ZINC000039773389 205047394 /nfs/dbraw/zinc/04/73/94/205047394.db2.gz LMULQKDPOPFQNM-UHFFFAOYSA-N 0 0 355.397 4.671 10 0 FJAERN Cc1cc(SCC(=O)Nc2cc(Cl)ccc2O)nc2ccccc12 ZINC000040166033 205061214 /nfs/dbraw/zinc/06/12/14/205061214.db2.gz RBICKGDIVPOTNR-UHFFFAOYSA-N 0 0 358.850 4.633 10 0 FJAERN COC(=O)c1ccccc1NC(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000040178933 205061416 /nfs/dbraw/zinc/06/14/16/205061416.db2.gz UZLVVXXDIYOSCO-UHFFFAOYSA-N 0 0 361.397 4.826 10 0 FJAERN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccccc2)oc1C ZINC000040178665 205061831 /nfs/dbraw/zinc/06/18/31/205061831.db2.gz RFKYFJRFTRPYEM-UHFFFAOYSA-N 0 0 369.442 4.972 10 0 FJAERN CCOC(=O)Cn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210524 205062731 /nfs/dbraw/zinc/06/27/31/205062731.db2.gz TXKJYDIPLPBHQS-UHFFFAOYSA-N 0 0 370.452 4.780 10 0 FJAERN COc1cccc(OCc2nc3ccccc3n2Cc2ccccc2F)c1 ZINC000040234517 205063118 /nfs/dbraw/zinc/06/31/18/205063118.db2.gz RZVZRGGRWDWUNJ-UHFFFAOYSA-N 0 0 362.404 4.811 10 0 FJAERN CC(C)c1ccccc1OCCCn1c(CCCO)nc2ccccc21 ZINC000040225338 205063512 /nfs/dbraw/zinc/06/35/12/205063512.db2.gz KMVNJVSYRUNSAR-UHFFFAOYSA-N 0 0 352.478 4.554 10 0 FJAERN Cc1ccc(Cn2c(CNC(=O)c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000040276608 205065612 /nfs/dbraw/zinc/06/56/12/205065612.db2.gz SEIPDQRISBZFKM-UHFFFAOYSA-N 0 0 369.468 4.631 10 0 FJAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2C)cc1 ZINC000040306602 205066690 /nfs/dbraw/zinc/06/66/90/205066690.db2.gz HLSCGGAJANERNS-UHFFFAOYSA-N 0 0 355.441 4.959 10 0 FJAERN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040306521 205066844 /nfs/dbraw/zinc/06/68/44/205066844.db2.gz JBIQTKTWXRHJMZ-UHFFFAOYSA-N 0 0 355.441 4.959 10 0 FJAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)c(C)c1 ZINC000040306517 205066960 /nfs/dbraw/zinc/06/69/60/205066960.db2.gz ONWDNIOJVRQKCQ-UHFFFAOYSA-N 0 0 355.441 4.959 10 0 FJAERN CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359710 205066972 /nfs/dbraw/zinc/06/69/72/205066972.db2.gz VDAKYLOOIQQTAT-UHFFFAOYSA-N 0 0 368.864 4.852 10 0 FJAERN Cc1cc(Br)cnc1SCC(=O)Nc1ccccc1Cl ZINC000040384173 205067801 /nfs/dbraw/zinc/06/78/01/205067801.db2.gz RXGJYIMSFDDCNK-UHFFFAOYSA-N 0 0 371.687 4.537 10 0 FJAERN OCCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040402192 205069029 /nfs/dbraw/zinc/06/90/29/205069029.db2.gz WDKRSVWLJJFJJC-UHFFFAOYSA-N 0 0 368.786 4.682 10 0 FJAERN Nc1c(Nc2ccccc2F)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040759130 205080048 /nfs/dbraw/zinc/08/00/48/205080048.db2.gz IKKCUGZZZHDFKU-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Oc1cccc2cccnc21 ZINC000040752143 205080466 /nfs/dbraw/zinc/08/04/66/205080466.db2.gz NJMIZKFPBWKRGQ-UHFFFAOYSA-N 0 0 363.808 4.796 10 0 FJAERN Cc1ccc2cccc(Oc3ncnc(Nc4ccc(F)cc4)c3N)c2n1 ZINC000040752307 205080583 /nfs/dbraw/zinc/08/05/83/205080583.db2.gz DBVLUHWSBSNYKR-UHFFFAOYSA-N 0 0 361.380 4.590 10 0 FJAERN COc1ccc(Oc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1 ZINC000040798197 205081784 /nfs/dbraw/zinc/08/17/84/205081784.db2.gz JFSLAZOWSPEGHG-UHFFFAOYSA-N 0 0 357.797 4.614 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3ccc(Br)cc3)c2N)cc1 ZINC000040782021 205081950 /nfs/dbraw/zinc/08/19/50/205081950.db2.gz YGKXOHRBJNKEDK-UHFFFAOYSA-N 0 0 370.254 4.617 10 0 FJAERN CCc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1 ZINC000040865842 205083098 /nfs/dbraw/zinc/08/30/98/205083098.db2.gz DKFOINYZPZBMDG-UHFFFAOYSA-N 0 0 362.267 4.646 10 0 FJAERN CCOc1ccc(/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000040890338 205084065 /nfs/dbraw/zinc/08/40/65/205084065.db2.gz QMRZQKQBYJUKGW-VQHVLOKHSA-N 0 0 360.837 4.983 10 0 FJAERN CC(C)Oc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 ZINC000040946969 205084996 /nfs/dbraw/zinc/08/49/96/205084996.db2.gz FMSQFICIHJUGOL-UHFFFAOYSA-N 0 0 356.422 4.989 10 0 FJAERN O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc2c(s1)CCCC2 ZINC000040934367 205085440 /nfs/dbraw/zinc/08/54/40/205085440.db2.gz GCZHCOUQFANGBT-UHFFFAOYSA-N 0 0 364.470 4.706 10 0 FJAERN Cc1cccc2sc(NC(=O)COc3ccccc3C(C)(C)C)nc21 ZINC000040965528 205086133 /nfs/dbraw/zinc/08/61/33/205086133.db2.gz POFLPPMSHXIBKM-UHFFFAOYSA-N 0 0 354.475 4.920 10 0 FJAERN CCOc1ccc(/C=C/C(=O)Nc2nc3c(ccc(C)c3C)s2)cc1 ZINC000040970889 205086856 /nfs/dbraw/zinc/08/68/56/205086856.db2.gz QELVMLOMUNDDDH-XYOKQWHBSA-N 0 0 352.459 4.964 10 0 FJAERN O=C(Nc1ccnc2ccc(Br)cc21)c1cccc(Cl)c1 ZINC000041057916 205087143 /nfs/dbraw/zinc/08/71/43/205087143.db2.gz HGZUMNCDNSGPCZ-UHFFFAOYSA-N 0 0 361.626 4.903 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2ccnc3c(C)c(C)ccc23)cc1OC ZINC000041057979 205087390 /nfs/dbraw/zinc/08/73/90/205087390.db2.gz BKFFAARWXLESQA-JXMROGBWSA-N 0 0 362.429 4.521 10 0 FJAERN CCCOC(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC ZINC000041012941 205087712 /nfs/dbraw/zinc/08/77/12/205087712.db2.gz UJFLOXHGKWXHOH-UHFFFAOYSA-N 0 0 351.399 4.608 10 0 FJAERN CCOc1c(Br)cc(-c2nc3cc(C)ccc3[nH]2)cc1OC ZINC000041005913 205087719 /nfs/dbraw/zinc/08/77/19/205087719.db2.gz LFKCCRMKNAEILG-UHFFFAOYSA-N 0 0 361.239 4.708 10 0 FJAERN Ic1ccccc1N[C@@H](c1cccs1)C1CC1 ZINC000042329356 205096406 /nfs/dbraw/zinc/09/64/06/205096406.db2.gz UMACRXYBLTZLDY-CQSZACIVSA-N 0 0 355.244 4.916 10 0 FJAERN Cc1cc(C)cc(Nc2ncnc(Oc3cccc4cccnc43)c2N)c1 ZINC000040681879 205075578 /nfs/dbraw/zinc/07/55/78/205075578.db2.gz GOLAVIIKDVGLGT-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Cc1cc(C)cc(Oc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)c1 ZINC000040681378 205075696 /nfs/dbraw/zinc/07/56/96/205075696.db2.gz ZRHLENGHEKEKDY-UHFFFAOYSA-N 0 0 364.493 4.849 10 0 FJAERN Nc1c(Nc2ccccc2C(F)(F)F)ncnc1NC1CCCCCC1 ZINC000040701877 205076591 /nfs/dbraw/zinc/07/65/91/205076591.db2.gz MWISGPMEBJKDLH-UHFFFAOYSA-N 0 0 365.403 4.956 10 0 FJAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2ccc(C)cc2)c1N ZINC000040702436 205076952 /nfs/dbraw/zinc/07/69/52/205076952.db2.gz GSZURXFKHZRDBS-UHFFFAOYSA-N 0 0 355.829 4.516 10 0 FJAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1NC1CCCCC1 ZINC000040700863 205077168 /nfs/dbraw/zinc/07/71/68/205077168.db2.gz XUCDFYSGBCBQOB-UHFFFAOYSA-N 0 0 352.269 4.854 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2N)cc1Cl ZINC000040703867 205077447 /nfs/dbraw/zinc/07/74/47/205077447.db2.gz FORSOQNRUOSFRY-UHFFFAOYSA-N 0 0 361.783 4.786 10 0 FJAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040701653 205077559 /nfs/dbraw/zinc/07/75/59/205077559.db2.gz GWEZOEJARKZIOC-UHFFFAOYSA-N 0 0 361.783 4.786 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccccc1C(F)(F)F ZINC000040701799 205077656 /nfs/dbraw/zinc/07/76/56/205077656.db2.gz CPAISUGMVZLKOB-UHFFFAOYSA-N 0 0 363.318 4.704 10 0 FJAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2cc(C)ccc2C)c1N ZINC000040702231 205077686 /nfs/dbraw/zinc/07/76/86/205077686.db2.gz PWESNVDMPGOIPZ-UHFFFAOYSA-N 0 0 369.856 4.825 10 0 FJAERN COc1ccc(Oc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1 ZINC000040727605 205078257 /nfs/dbraw/zinc/07/82/57/205078257.db2.gz NEZPPWMBNLPNQC-UHFFFAOYSA-N 0 0 351.406 4.775 10 0 FJAERN Cc1c(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)[nH]c2c1C(=O)CCC2 ZINC000044717312 205110312 /nfs/dbraw/zinc/11/03/12/205110312.db2.gz AYABOJMGNPNJML-SNVBAGLBSA-N 0 0 365.260 4.640 10 0 FJAERN CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1F ZINC000047482251 211854760 /nfs/dbraw/zinc/85/47/60/211854760.db2.gz XMGNTLXCJXMXPP-ZDUSSCGKSA-N 0 0 371.456 4.964 10 0 FJAERN Cc1ccc(F)c(NCc2cc(Br)c(Br)o2)c1 ZINC000050359191 205177979 /nfs/dbraw/zinc/17/79/79/205177979.db2.gz UIAJIWBVDSZUQW-UHFFFAOYSA-N 0 0 363.024 4.864 10 0 FJAERN CC(=O)Nc1ccc(F)c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000053457576 205194340 /nfs/dbraw/zinc/19/43/40/205194340.db2.gz VQETZZOVAROOLW-CYBMUJFWSA-N 0 0 356.441 4.573 10 0 FJAERN C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccccc1Br ZINC000014426015 220124945 /nfs/dbraw/zinc/12/49/45/220124945.db2.gz NDMYYRXTSXIHBH-MRVPVSSYSA-N 0 0 374.065 4.642 10 0 FJAERN COc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1OC ZINC000045382578 211818476 /nfs/dbraw/zinc/81/84/76/211818476.db2.gz CMFFCKSURKVABS-SNVBAGLBSA-N 0 0 354.233 4.502 10 0 FJAERN CCc1ccc(NC(=O)COc2ccc(Cl)cc2)c(Br)c1 ZINC000065000504 205314014 /nfs/dbraw/zinc/31/40/14/205314014.db2.gz NGWNEKUIDXBNNE-UHFFFAOYSA-N 0 0 368.658 4.682 10 0 FJAERN CC[C@@H](C)NC(=O)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065057996 205315443 /nfs/dbraw/zinc/31/54/43/205315443.db2.gz BVWDTUJIDVTCHK-CQSZACIVSA-N 0 0 365.408 4.603 10 0 FJAERN COc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1C(F)(F)F ZINC000065344429 205337677 /nfs/dbraw/zinc/33/76/77/205337677.db2.gz DJMBZBRBHBEZKL-UHFFFAOYSA-N 0 0 352.230 4.985 10 0 FJAERN Cc1ccc(CNc2nc(Nc3cccc(O)c3)nc3ccccc32)cc1 ZINC000072260605 205502917 /nfs/dbraw/zinc/50/29/17/205502917.db2.gz PJNPITPCVRJTFS-UHFFFAOYSA-N 0 0 356.429 5.000 10 0 FJAERN Clc1ccc(-c2ccnc3nc(SCc4ccccc4)nn32)cc1 ZINC000072439842 205550593 /nfs/dbraw/zinc/55/05/93/205550593.db2.gz RUVRAPOOEAPYRU-UHFFFAOYSA-N 0 0 352.850 4.737 10 0 FJAERN Cc1nn2c(ncc3c2CCCCC3)c1-c1ccc(Br)cc1 ZINC000072451883 205554181 /nfs/dbraw/zinc/55/41/81/205554181.db2.gz BIHBVMGWLSVCRR-UHFFFAOYSA-N 0 0 356.267 4.736 10 0 FJAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072473481 205558769 /nfs/dbraw/zinc/55/87/69/205558769.db2.gz HYYCHVKLWDZAFH-INIZCTEOSA-N 0 0 372.472 4.681 10 0 FJAERN COc1cc(Nc2ccnc3ccc(Br)cc32)cc(OC)c1 ZINC000041055303 211768218 /nfs/dbraw/zinc/76/82/18/211768218.db2.gz CBXCSGONOASIIF-UHFFFAOYSA-N 0 0 359.223 4.758 10 0 FJAERN CCCCCOc1ccc(NC(=O)COc2ccc(OCC)cc2)cc1 ZINC000040869244 211763110 /nfs/dbraw/zinc/76/31/10/211763110.db2.gz NJUXDZKLBSASHV-UHFFFAOYSA-N 0 0 357.450 4.672 10 0 FJAERN COc1ccccc1Oc1ncnc(Nc2cccc(Cl)c2C)c1N ZINC000040701677 211753824 /nfs/dbraw/zinc/75/38/24/211753824.db2.gz ZQQJWXOCINOTJV-UHFFFAOYSA-N 0 0 356.813 4.565 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2nc3ccccc3s2)C1 ZINC000095085174 205722699 /nfs/dbraw/zinc/72/26/99/205722699.db2.gz RUQRAFGSBPAXDT-CQSZACIVSA-N 0 0 362.495 4.712 10 0 FJAERN O=C(NCc1ccc(Cl)cc1)c1ccccc1NCc1ccccc1 ZINC000095583800 205790085 /nfs/dbraw/zinc/79/00/85/205790085.db2.gz ZOJQMWSBLRKQFU-UHFFFAOYSA-N 0 0 350.849 4.882 10 0 FJAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C[C@H]1[C@@H]1CCCC(=O)C1 ZINC000095836124 205794664 /nfs/dbraw/zinc/79/46/64/205794664.db2.gz AHUSMHMJNSVWHR-NSHGMRRFSA-N 0 0 357.494 4.929 10 0 FJAERN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccccc2Cl)ccc1Cl ZINC000107705019 206021830 /nfs/dbraw/zinc/02/18/30/206021830.db2.gz WTRVDQNIAUWIGO-JTQLQIEISA-N 0 0 367.232 4.663 10 0 FJAERN O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000108859428 206039126 /nfs/dbraw/zinc/03/91/26/206039126.db2.gz YPICZOBOKPQCPW-GOSISDBHSA-N 0 0 368.889 4.810 10 0 FJAERN O=C(Cc1ccc(Br)cc1)c1ccccc1Br ZINC000038125953 211698001 /nfs/dbraw/zinc/69/80/01/211698001.db2.gz CHBVTTQHFNMWND-UHFFFAOYSA-N 0 0 354.041 4.637 10 0 FJAERN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N ZINC000226267080 206119573 /nfs/dbraw/zinc/11/95/73/206119573.db2.gz MITDAMJOBLYQFZ-UHFFFAOYSA-N 0 0 352.265 4.674 10 0 FJAERN CCOc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc2sc(N)nc21 ZINC000226309838 206120228 /nfs/dbraw/zinc/12/02/28/206120228.db2.gz JSXBJKXIRWDXRR-UHFFFAOYSA-N 0 0 369.490 4.827 10 0 FJAERN CCOC(=O)c1cc(Cl)c(Cl)c(-c2cc3ccccc3oc2=O)c1 ZINC000226357688 206121366 /nfs/dbraw/zinc/12/13/66/206121366.db2.gz XWKWXOKZBQIXRX-UHFFFAOYSA-N 0 0 363.196 4.944 10 0 FJAERN CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(N)c1 ZINC000226349144 206121608 /nfs/dbraw/zinc/12/16/08/206121608.db2.gz HGGJFRLDMPEKPG-UHFFFAOYSA-N 0 0 374.799 4.972 10 0 FJAERN COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1cccc2ccccc21 ZINC000226337921 206122028 /nfs/dbraw/zinc/12/20/28/206122028.db2.gz WESQJFWYSGVDEW-ZRDIBKRKSA-N 0 0 373.412 4.563 10 0 FJAERN Cc1cc(N)ccc1NC(=O)c1cccc2c(Br)cccc12 ZINC000227144801 206123202 /nfs/dbraw/zinc/12/32/02/206123202.db2.gz WBGBVKQPJDCCFX-UHFFFAOYSA-N 0 0 355.235 4.745 10 0 FJAERN Cc1ccccc1OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000226855878 206124264 /nfs/dbraw/zinc/12/42/64/206124264.db2.gz DLVUMZHVDQFNMU-UHFFFAOYSA-N 0 0 351.638 4.723 10 0 FJAERN CCOC(=O)c1cc2c([nH]1)c(Br)ccc2OCc1ccccc1 ZINC000146884601 206142041 /nfs/dbraw/zinc/14/20/41/206142041.db2.gz HLDLPTFHKOGTNL-UHFFFAOYSA-N 0 0 374.234 4.686 10 0 FJAERN Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CC[C@H](C)C3 ZINC000005579427 206196860 /nfs/dbraw/zinc/19/68/60/206196860.db2.gz LZJFNLLMKCAHNU-ZDUSSCGKSA-N 0 0 355.459 4.667 10 0 FJAERN CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1CCCCCC1 ZINC000036624722 211671400 /nfs/dbraw/zinc/67/14/00/211671400.db2.gz DHKVMUOCZARAPE-UHFFFAOYSA-N 0 0 350.462 4.889 10 0 FJAERN Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)Nc1cc(C)ccc1C ZINC000008370289 206216400 /nfs/dbraw/zinc/21/64/00/206216400.db2.gz PVXGKEOWABUCIG-UHFFFAOYSA-N 0 0 366.440 4.948 10 0 FJAERN O=C(c1cc(Br)ccc1Cl)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008161470 206246280 /nfs/dbraw/zinc/24/62/80/206246280.db2.gz TXJDEDSTXOWFKU-NEPJUHHUSA-N 0 0 356.691 4.755 10 0 FJAERN Cc1ccc(Br)cc1Nc1ccc(Cl)cc1C(N)=S ZINC000104174001 206235667 /nfs/dbraw/zinc/23/56/67/206235667.db2.gz ASRHCHQRKBDPJM-UHFFFAOYSA-N 0 0 355.688 4.789 10 0 FJAERN O=S(=O)(Cc1ccccc1)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000033025725 211584551 /nfs/dbraw/zinc/58/45/51/211584551.db2.gz XTYMBKILAKLBIS-UHFFFAOYSA-N 0 0 362.454 4.777 10 0 FJAERN O=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1cccc(F)c1 ZINC000038619639 211532702 /nfs/dbraw/zinc/53/27/02/211532702.db2.gz HZOAFVKGFQXAAY-UHFFFAOYSA-N 0 0 356.784 4.705 10 0 FJAERN O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1O ZINC000201355852 206336362 /nfs/dbraw/zinc/33/63/62/206336362.db2.gz FKZDVFYVCOMVCM-UHFFFAOYSA-N 0 0 364.150 4.648 10 0 FJAERN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(Cl)ccc1Cl ZINC000028303690 206473652 /nfs/dbraw/zinc/47/36/52/206473652.db2.gz XUTMWWBTMNUWFK-UHFFFAOYSA-N 0 0 364.207 4.630 10 0 FJAERN COc1ccc(OC)c(NC(=O)Nc2nc3c(ccc(C)c3C)s2)c1 ZINC000028221491 206467122 /nfs/dbraw/zinc/46/71/22/206467122.db2.gz ROJNWXITFZDUTB-UHFFFAOYSA-N 0 0 357.435 4.574 10 0 FJAERN O=C(CCC1CCCC1)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000032609705 206511014 /nfs/dbraw/zinc/51/10/14/206511014.db2.gz QQKJJNWXENVKHI-UHFFFAOYSA-N 0 0 365.399 4.859 10 0 FJAERN Cc1cc(C)cc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 ZINC000032610059 206511473 /nfs/dbraw/zinc/51/14/73/206511473.db2.gz UGNWTWPKLFUUGT-UHFFFAOYSA-N 0 0 373.378 4.819 10 0 FJAERN CCCC[C@@H](CC)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl ZINC000032611657 206511504 /nfs/dbraw/zinc/51/15/04/206511504.db2.gz ZOXVIXPSUHPSEE-CYBMUJFWSA-N 0 0 351.853 4.879 10 0 FJAERN CC1=Nc2ccc(Br)cc2[C@@H](OCC(=O)Nc2ccccc2)C1 ZINC000227148516 206519200 /nfs/dbraw/zinc/51/92/00/206519200.db2.gz NHXBSNSFBNMQGL-KRWDZBQOSA-N 0 0 373.250 4.642 10 0 FJAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000023790215 211397664 /nfs/dbraw/zinc/39/76/64/211397664.db2.gz PZNXBKYBCRGTJE-ZDUSSCGKSA-N 0 0 353.853 4.634 10 0 FJAERN CC(C)c1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000022766606 211362884 /nfs/dbraw/zinc/36/28/84/211362884.db2.gz DVDBWPLGBZYMNS-CYBMUJFWSA-N 0 0 350.384 4.773 10 0 FJAERN C[C@@H](Nc1ccccc1N1CCCC1=O)c1ccc(Br)s1 ZINC000038002053 211344777 /nfs/dbraw/zinc/34/47/77/211344777.db2.gz QFRLJPGAJMLEPJ-LLVKDONJSA-N 0 0 365.296 4.811 10 0 FJAERN COc1ccc2c(C)c([C@H](N)c3ccc(Br)s3)oc2c1 ZINC000038002186 211344171 /nfs/dbraw/zinc/34/41/71/211344171.db2.gz ARRAATZNVVQOJG-CQSZACIVSA-N 0 0 352.253 4.622 10 0 FJAERN COC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038002525 211343646 /nfs/dbraw/zinc/34/36/46/211343646.db2.gz RDLBTJMTYSGGAW-JTQLQIEISA-N 0 0 354.269 4.779 10 0 FJAERN O=C(NCC1CCCCCC1)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000022628069 211358297 /nfs/dbraw/zinc/35/82/97/211358297.db2.gz DMOIFBBRZRJBTA-UHFFFAOYSA-N 0 0 357.475 4.844 10 0 FJAERN Cc1ccc(S(=O)(=O)c2ncn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000022000784 211334187 /nfs/dbraw/zinc/33/41/87/211334187.db2.gz FXCFXBDVHNIKTO-UHFFFAOYSA-N 0 0 374.465 4.681 10 0 FJAERN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)NC4CCCC4)oc3ccc2O1 ZINC000021166321 211309885 /nfs/dbraw/zinc/30/98/85/211309885.db2.gz HJXOFAQWBRASOF-NRFANRHFSA-N 0 0 355.434 4.548 10 0 FJAERN Cc1ccc2oc(-c3ccc(CN4C(=O)c5ccccc5C4=O)cc3)nc2c1 ZINC000021127700 211307515 /nfs/dbraw/zinc/30/75/15/211307515.db2.gz YEAFKVVOHNGASE-UHFFFAOYSA-N 0 0 368.392 4.599 10 0 FJAERN CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373684 211277690 /nfs/dbraw/zinc/27/76/90/211277690.db2.gz AJHIDWQKDKEDRV-ZWKOTPCHSA-N 0 0 364.489 4.809 10 0 FJAERN Cc1nc(Nc2ccccc2)nc2c1nc(C(F)(F)F)n2-c1ccccc1 ZINC000019816081 211257647 /nfs/dbraw/zinc/25/76/47/211257647.db2.gz SFPYPYDKCPAKFC-UHFFFAOYSA-N 0 0 369.350 4.886 10 0 FJAERN Cc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1NC(=O)c1ccco1 ZINC000017963573 211189180 /nfs/dbraw/zinc/18/91/80/211189180.db2.gz XGWYWPDPJIXXJX-MRXNPFEDSA-N 0 0 362.429 4.640 10 0 FJAERN Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000037408909 211166030 /nfs/dbraw/zinc/16/60/30/211166030.db2.gz FIOKDPIVTMKOBX-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN Cc1nc2c(s1)CCc1oc(C(=O)N[C@H](C)c3ccc(C)cc3)c(C)c1-2 ZINC000015869937 211149497 /nfs/dbraw/zinc/14/94/97/211149497.db2.gz CKSUHIQITFCUHI-CYBMUJFWSA-N 0 0 366.486 4.918 10 0 FJAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000015587972 211132337 /nfs/dbraw/zinc/13/23/37/211132337.db2.gz QZSXIOHKVWSBDB-RMKNXTFCSA-N 0 0 352.217 4.663 10 0 FJAERN CCOc1cc(-c2csc3ccccc32)cc2c1OCCN(C(C)=O)C2 ZINC000015070667 211119577 /nfs/dbraw/zinc/11/95/77/211119577.db2.gz RKEXGDQAJODSKX-UHFFFAOYSA-N 0 0 367.470 4.708 10 0 FJAERN N=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000015054134 211117777 /nfs/dbraw/zinc/11/77/77/211117777.db2.gz IFTKNJJJKRYKAN-FCKVQNBVSA-N 0 0 365.241 4.755 10 0 FJAERN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000014839426 211102212 /nfs/dbraw/zinc/10/22/12/211102212.db2.gz WHACBZHIWPMWIN-CYBMUJFWSA-N 0 0 374.868 4.731 10 0 FJAERN Cc1ccccc1N1C(=N)S/C(=C\c2ccc(Br)cc2)C1=O ZINC000015053234 211114470 /nfs/dbraw/zinc/11/44/70/211114470.db2.gz KVRUAGIBHXIRDE-QFULKBQASA-N 0 0 373.275 4.813 10 0 FJAERN C[C@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1Br ZINC000014425902 211092184 /nfs/dbraw/zinc/09/21/84/211092184.db2.gz SLMPMDLVRIWWCA-JTQLQIEISA-N 0 0 370.193 4.542 10 0 FJAERN CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(Cl)c3)CCC2)cc1 ZINC000013744268 211055195 /nfs/dbraw/zinc/05/51/95/211055195.db2.gz FZTFVTPDNMGBRL-UHFFFAOYSA-N 0 0 350.842 4.977 10 0 FJAERN CCOc1ccc(N[C@H](C)c2ccc(I)cc2)cc1 ZINC000037189322 211038007 /nfs/dbraw/zinc/03/80/07/211038007.db2.gz HGXUUFQAJSRWQH-GFCCVEGCSA-N 0 0 367.230 4.863 10 0 FJAERN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000012591337 210974292 /nfs/dbraw/zinc/97/42/92/210974292.db2.gz QPQRVOPAAGRFSI-GOSISDBHSA-N 0 0 350.393 4.822 10 0 FJAERN O=c1c(Cl)nc(Cl)c(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000003651211 210491705 /nfs/dbraw/zinc/49/17/05/210491705.db2.gz IRATWBZJLZJQIS-UHFFFAOYSA-N 0 0 365.647 4.919 10 0 FJAERN FC(F)(F)c1ccncc1-c1noc(-c2cc(Cl)nc(Cl)c2)n1 ZINC000002155545 210381163 /nfs/dbraw/zinc/38/11/63/210381163.db2.gz RJXVHGOFDJSROK-UHFFFAOYSA-N 0 0 361.110 4.519 10 0 FJAERN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OCCC)cc1 ZINC000001927388 210375092 /nfs/dbraw/zinc/37/50/92/210375092.db2.gz IQKNOQKXGRLGSA-SDNWHVSQSA-N 0 0 367.445 4.694 10 0 FJAERN O=C(Nc1nc2c(cc(F)cc2F)s1)c1ccccc1Br ZINC000001514400 210357668 /nfs/dbraw/zinc/35/76/68/210357668.db2.gz XOTGRWJFBDITFB-UHFFFAOYSA-N 0 0 369.190 4.589 10 0 FJAERN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1ccccc1 ZINC000020540689 220332852 /nfs/dbraw/zinc/33/28/52/220332852.db2.gz WUJOBPRJEVJGQL-UHFFFAOYSA-N 0 0 354.841 4.846 10 0 FJAERN C/C(=C/c1ccccc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000001130326 210323624 /nfs/dbraw/zinc/32/36/24/210323624.db2.gz ZVOSVSHFYGMMTH-QBFSEMIESA-N 0 0 369.877 4.824 10 0 FJAERN O=C(Cn1c2ccccc2nc1-c1ccco1)Nc1cccc(Cl)c1 ZINC000000933398 210291816 /nfs/dbraw/zinc/29/18/16/210291816.db2.gz CAQBHVUPSUXCEC-UHFFFAOYSA-N 0 0 351.793 4.588 10 0 FJAERN Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)CCC1CCCCC1 ZINC000027922438 220551653 /nfs/dbraw/zinc/55/16/53/220551653.db2.gz OAFIHVAJYLIWQV-UHFFFAOYSA-N 0 0 357.473 4.986 10 0 FJAERN O=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000027969608 220552847 /nfs/dbraw/zinc/55/28/47/220552847.db2.gz WPNURIKHUQADKN-UHFFFAOYSA-N 0 0 364.207 4.630 10 0 FJAERN COc1cc(NC(=S)Nc2cccc(SC)c2)c(OC)cc1Cl ZINC000071761402 221367490 /nfs/dbraw/zinc/36/74/90/221367490.db2.gz JTLHCQJJMFGLQU-UHFFFAOYSA-N 0 0 368.911 4.888 10 0 FJAERN Cc1nc(-c2ccc(CC(=O)N3CCCc4cc(C)ccc43)cc2)cs1 ZINC000105974717 132239376 /nfs/dbraw/zinc/23/93/76/132239376.db2.gz VPAGBBLUXNRWIZ-UHFFFAOYSA-N 0 0 362.498 4.949 10 0 FJAERN CC1CCN(c2ccc(N)cc2NC(=O)c2cccc3ccccc32)CC1 ZINC000226253868 132250056 /nfs/dbraw/zinc/25/00/56/132250056.db2.gz XTEVDORGTRXXKK-UHFFFAOYSA-N 0 0 359.473 4.911 10 0 FJAERN CCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 ZINC000226267414 132374892 /nfs/dbraw/zinc/37/48/92/132374892.db2.gz WLUUIQWYNSTBKM-INIZCTEOSA-N 0 0 367.493 4.689 10 0 FJAERN CC(C)c1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 ZINC000226265856 132374930 /nfs/dbraw/zinc/37/49/30/132374930.db2.gz QGEKKHIVPVFGJS-UHFFFAOYSA-N 0 0 351.494 4.881 10 0 FJAERN CC(C)c1ccc(/C=C\C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000005862321 132830520 /nfs/dbraw/zinc/83/05/20/132830520.db2.gz PGWOGCYGCLMYHL-XGICHPGQSA-N 0 0 368.908 4.825 10 0 FJAERN c1ccc(Nc2nc(N3CCc4ccccc4C3)nc3ccccc32)cc1 ZINC000072260381 136143940 /nfs/dbraw/zinc/14/39/40/136143940.db2.gz NCWAQNYPSKRULE-UHFFFAOYSA-N 0 0 352.441 4.936 10 0 FJAERN Cc1nn(-c2ccc(Cl)cc2)cc1-c1ccnc(N2CCC(C)CC2)n1 ZINC000072461985 136148747 /nfs/dbraw/zinc/14/87/47/136148747.db2.gz KYNDSEHQERQWGI-UHFFFAOYSA-N 0 0 367.884 4.527 10 0 FJAERN Cc1nn2c(nccc2-c2ccccn2)c1-c1ccc(Br)cc1 ZINC000072451850 221535079 /nfs/dbraw/zinc/53/50/79/221535079.db2.gz PXJYKXSCGBNKIK-UHFFFAOYSA-N 0 0 365.234 4.529 10 0 FJAERN Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)c1 ZINC000072450834 221535795 /nfs/dbraw/zinc/53/57/95/221535795.db2.gz NKJAWDTZQVVKGP-UHFFFAOYSA-N 0 0 352.821 4.564 10 0 FJAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)cc1Cl ZINC000072450818 221535829 /nfs/dbraw/zinc/53/58/29/221535829.db2.gz LGAAVBAYLOTSCO-UHFFFAOYSA-N 0 0 373.239 4.909 10 0 FJAERN CC(C)Cc1ccc([C@H](O)c2cccc(I)c2)cc1 ZINC000104046166 222348064 /nfs/dbraw/zinc/34/80/64/222348064.db2.gz MYNJCHJGSGBOMT-KRWDZBQOSA-N 0 0 366.242 4.571 10 0 FJAERN O=C(NCc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000104184301 222352905 /nfs/dbraw/zinc/35/29/05/222352905.db2.gz LCNXVJFSNTUAMX-UHFFFAOYSA-N 0 0 359.050 4.686 10 0 FJAERN Cc1cc(Nc2cccc(Cl)c2C(N)=S)ccc1Br ZINC000104184897 222352981 /nfs/dbraw/zinc/35/29/81/222352981.db2.gz BSCTWECLEWKSMI-UHFFFAOYSA-N 0 0 355.688 4.789 10 0 FJAERN COC(=O)c1sccc1NC(=O)c1ccc(-c2ccccc2F)s1 ZINC000105976630 222380688 /nfs/dbraw/zinc/38/06/88/222380688.db2.gz OXOLUYWTRCRGIL-UHFFFAOYSA-N 0 0 361.419 4.655 10 0 FJAERN CC(C)(C)c1ccc(CCC(=O)Nc2cccc(N3CCOC3=O)c2)cc1 ZINC000105988431 222380928 /nfs/dbraw/zinc/38/09/28/222380928.db2.gz CWNRHIFNANSLOV-UHFFFAOYSA-N 0 0 366.461 4.512 10 0 FJAERN O=c1cc(OCCCCOc2ccccc2)c2cc3ccoc3cc2o1 ZINC000079390157 527484189 /nfs/dbraw/zinc/48/41/89/527484189.db2.gz CJURXBPLSXCRAR-UHFFFAOYSA-N 0 0 350.370 4.777 10 0 FJAERN CCN(c1cccc2ccccc21)c1ncnc(N2CCC(C)CC2)c1N ZINC000040701948 535418834 /nfs/dbraw/zinc/41/88/34/535418834.db2.gz ODNYUWCSTPLYII-UHFFFAOYSA-N 0 0 361.493 4.606 10 0 FJAERN Cc1cccc2c1[C@H](C)C[C@@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188595914 567980617 /nfs/dbraw/zinc/98/06/17/567980617.db2.gz UJUWCCHMKMIRHU-UZLBHIALSA-N 0 0 358.489 4.784 10 0 FJAERN Cc1cccc2c1[C@H](C)C[C@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188595957 567980638 /nfs/dbraw/zinc/98/06/38/567980638.db2.gz UJUWCCHMKMIRHU-OXQOHEQNSA-N 0 0 358.489 4.784 10 0 FJAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)C(C)(C)c2ccccc2)cs1 ZINC000186900016 568006129 /nfs/dbraw/zinc/00/61/29/568006129.db2.gz FOWSBKKLOQZTAG-KDOFPFPSSA-N 0 0 357.523 4.664 10 0 FJAERN Cc1csc(-c2cccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)n1 ZINC000159303717 568123840 /nfs/dbraw/zinc/12/38/40/568123840.db2.gz SQLNWUGTICZZOR-HUUCEWRRSA-N 0 0 368.424 4.969 10 0 FJAERN CC(=O)O[C@@H]1CC/C(C)=C\[C@@H](O)C/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 ZINC000604381339 568286704 /nfs/dbraw/zinc/28/67/04/568286704.db2.gz MAAXSNDBAYYGPI-NHZJEULASA-N 0 0 364.526 4.710 10 0 FJAERN Nc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H]1CCCO1 ZINC000000795698 570456710 /nfs/dbraw/zinc/45/67/10/570456710.db2.gz SZCJSOQYDPRKQP-SFHVURJKSA-N 0 0 370.456 4.527 10 0 FJAERN Fc1ccccc1-c1nnc([C@H]2CCCCN2Cc2ccc(Cl)nc2)o1 ZINC000583621410 570810957 /nfs/dbraw/zinc/81/09/57/570810957.db2.gz FSZZMLWSOMRSEQ-MRXNPFEDSA-N 0 0 372.831 4.651 10 0 FJAERN CC(C)OC(=O)C(C)(C)Oc1ccc([C@H](O)c2ccc(Cl)cc2)cc1 ZINC000035644035 571078688 /nfs/dbraw/zinc/07/86/88/571078688.db2.gz JUAWSFKKGMCGEL-GOSISDBHSA-N 0 0 362.853 4.531 10 0 in-vitro FJAERN COc1ccc(CNC(=O)c2ccc(-c3ccc4c(ccn4C)c3)cc2)cc1 ZINC000032978108 571081875 /nfs/dbraw/zinc/08/18/75/571081875.db2.gz JSQPUJSDZSRNPL-UHFFFAOYSA-N 0 0 370.452 4.784 10 0 FJAERN Cc1nccc(NC(=O)c2cccc(CN(C)[C@@H](C)c3cccnc3)c2)c1C ZINC000067894445 571151561 /nfs/dbraw/zinc/15/15/61/571151561.db2.gz HOLXDLYQRPXNEL-SFHVURJKSA-N 0 0 374.488 4.539 10 0 FJAERN Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c(C)c1 ZINC000224291095 571198776 /nfs/dbraw/zinc/19/87/76/571198776.db2.gz WCCMMHUGOGNYRI-UHFFFAOYSA-N 0 0 352.369 4.669 10 0 FJAERN Cc1ccc(C)c(Cn2ccnc2CN(CC(C)C)C(=O)NC(C)(C)C)c1 ZINC000006690081 571240794 /nfs/dbraw/zinc/24/07/94/571240794.db2.gz INBBCFIFANMBGI-UHFFFAOYSA-N 0 0 370.541 4.514 10 0 FJAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226261221 571275936 /nfs/dbraw/zinc/27/59/36/571275936.db2.gz NXWSLEBWKFURLD-UHFFFAOYSA-N 0 0 352.265 4.674 10 0 FJAERN Fc1c(F)c(F)c(-c2nc3cc(-n4cccc4)ccc3o2)c(F)c1F ZINC000226248593 571276029 /nfs/dbraw/zinc/27/60/29/571276029.db2.gz XXWUMWSIOGEGKW-UHFFFAOYSA-N 0 0 350.246 4.981 10 0 FJAERN Cc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1Cl ZINC000226271788 571276162 /nfs/dbraw/zinc/27/61/62/571276162.db2.gz NMCWBBGYOWRMFB-UHFFFAOYSA-N 0 0 354.715 4.957 10 0 FJAERN O=C(Nc1ccc2nc(Cc3ccc(Cl)cc3)oc2c1)C(F)(F)F ZINC000226271069 571276191 /nfs/dbraw/zinc/27/61/91/571276191.db2.gz WKQFAXQJVZEOJU-UHFFFAOYSA-N 0 0 354.715 4.573 10 0 FJAERN COc1cc2c(cc1OC)CC(CC1CCN(C(=O)OC(C)(C)C)CC1)=C2 ZINC000077286772 571320931 /nfs/dbraw/zinc/32/09/31/571320931.db2.gz RGIBINMSCSMSKT-UHFFFAOYSA-N 0 0 373.493 4.681 10 0 in-vitro FJAERN Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)cc1 ZINC000019774200 571327215 /nfs/dbraw/zinc/32/72/15/571327215.db2.gz ICWSSYFEHVMEDH-HSZRJFAPSA-N 0 0 357.432 4.850 10 0 FJAERN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C(C)C)cc3)c2)on1 ZINC000020580277 571331284 /nfs/dbraw/zinc/33/12/84/571331284.db2.gz VECXQJOZTJICKA-UHFFFAOYSA-N 0 0 370.474 4.883 10 0 FJAERN O=c1c2ccc[nH]c-2c(Nc2cccc(Cl)c2)n1Cc1ccc(F)cc1 ZINC000021104243 571332693 /nfs/dbraw/zinc/33/26/93/571332693.db2.gz GHJQEOZJRAQCLN-LJQANCHMSA-N 0 0 367.811 4.641 10 0 FJAERN CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1 ZINC000000602848 210251949 /nfs/dbraw/zinc/25/19/49/210251949.db2.gz XKNAGLMNQADBQE-UHFFFAOYSA-N 0 0 352.394 4.803 10 0 in-vitro FJAERN COC(=O)c1ccc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000090608815 210237539 /nfs/dbraw/zinc/23/75/39/210237539.db2.gz LPZHHOAORHBXJW-UHFFFAOYSA-N 0 0 373.452 4.646 10 0 FJAERN CCOC(=O)c1c(N)nc(-c2ccccc2)cc1-c1ccc(Cl)cc1 ZINC000024982442 210237275 /nfs/dbraw/zinc/23/72/75/210237275.db2.gz WFQKHUJHMKUXMY-UHFFFAOYSA-N 0 0 352.821 4.828 10 0 FJAERN Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000004536451 210228440 /nfs/dbraw/zinc/22/84/40/210228440.db2.gz JZGAAFUAOCCTMA-FQEVSTJZSA-N 0 0 369.511 4.585 10 0 FJAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(Br)c(C)c3)n2)cc1 ZINC000057341496 210208357 /nfs/dbraw/zinc/20/83/57/210208357.db2.gz MVWBYZMLFCVWCP-UHFFFAOYSA-N 0 0 370.250 4.560 10 0 FJAERN O=C(Nc1sc(Br)nc1-c1cccs1)c1cccs1 ZINC000032500053 210184898 /nfs/dbraw/zinc/18/48/98/210184898.db2.gz WPRAMJLOBFFFDD-UHFFFAOYSA-N 0 0 371.306 4.948 10 0 FJAERN CCc1ccc2oc(-c3ccc(N(CC)C(=O)C(F)(F)F)cc3)nc2c1 ZINC000226284651 210178247 /nfs/dbraw/zinc/17/82/47/210178247.db2.gz YWYAUKBXZCIWEV-UHFFFAOYSA-N 0 0 362.351 4.972 10 0 FJAERN CCc1ccc(-c2nc3cc(N(CC)C(=O)C(F)(F)F)ccc3o2)cc1 ZINC000226282071 210177726 /nfs/dbraw/zinc/17/77/26/210177726.db2.gz CLGVJLGXXJITKZ-UHFFFAOYSA-N 0 0 362.351 4.972 10 0 FJAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000226261262 210177608 /nfs/dbraw/zinc/17/76/08/210177608.db2.gz BISPSVKFDWOXEK-UHFFFAOYSA-N 0 0 352.265 4.674 10 0 FJAERN COC(=O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 ZINC000226317707 222884039 /nfs/dbraw/zinc/88/40/39/222884039.db2.gz XGOFLFBYMFBFFE-UHFFFAOYSA-N 0 0 366.598 4.697 10 0 FJAERN Cc1ccccc1Cn1cc(NC(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000008571171 219864242 /nfs/dbraw/zinc/86/42/42/219864242.db2.gz WLBVSIOEFZNUSF-UHFFFAOYSA-N 0 0 358.804 4.676 10 0 FJAERN Cc1nc(-c2cccc(NC(=O)N[C@H]3CCc4cc(Cl)ccc43)c2)no1 ZINC000064544323 212038992 /nfs/dbraw/zinc/03/89/92/212038992.db2.gz NYSXXOMYCOEFOC-KRWDZBQOSA-N 0 0 368.824 4.507 10 0 FJAERN O[C@@H](Cc1ccc(Br)cc1)c1ccc(F)cc1Br ZINC000062138950 212029819 /nfs/dbraw/zinc/02/98/19/212029819.db2.gz CSYBGKHOLKKPJE-AWEZNQCLSA-N 0 0 374.047 4.627 10 0 FJAERN CSc1nnc(-c2ccc(C)cc2)c(OCc2ccc(Cl)cc2)n1 ZINC000027299988 203868912 /nfs/dbraw/zinc/86/89/12/203868912.db2.gz GGYNAZJSTXXMCQ-UHFFFAOYSA-N 0 0 357.866 4.801 10 0 FJAERN Cc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)c1 ZINC000060135039 212018946 /nfs/dbraw/zinc/01/89/46/212018946.db2.gz BIXURFCPPFJFOQ-ROUUACIJSA-N 0 0 350.462 4.687 10 0 FJAERN O[C@](c1ccccc1)(c1ccncc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000005162541 203920509 /nfs/dbraw/zinc/92/05/09/203920509.db2.gz RZDJSFPOYCJGJJ-BJKOFHAPSA-N 0 0 352.437 4.545 10 0 FJAERN O=C1CCC(/C=C\c2ccccc2)=NN1Cc1cccc(C(F)(F)F)c1 ZINC000033336273 203931160 /nfs/dbraw/zinc/93/11/60/203931160.db2.gz CVZRWVUIEJFFRI-KTKRTIGZSA-N 0 0 358.363 4.897 10 0 FJAERN COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OCc1ccccc1 ZINC000035066915 203931517 /nfs/dbraw/zinc/93/15/17/203931517.db2.gz GLEPSNVRYJGCQS-UHFFFAOYSA-N 0 0 358.397 4.991 10 0 FJAERN CCOP(=O)(OCC)C(Cl)(Cl)P(=O)(OCC)OCC ZINC000002391252 204036970 /nfs/dbraw/zinc/03/69/70/204036970.db2.gz HDAJVJYSCKIAMU-UHFFFAOYSA-N 0 0 357.107 4.608 10 0 FJAERN COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C)c1-c1ccccc1 ZINC000001927538 204021847 /nfs/dbraw/zinc/02/18/47/204021847.db2.gz HDZZHWGOBWIPFH-UHFFFAOYSA-N 0 0 369.417 4.902 10 0 FJAERN COC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001946304 204023407 /nfs/dbraw/zinc/02/34/07/204023407.db2.gz PTKNUQVFKCEMJX-NSHDSACASA-N 0 0 351.512 4.670 10 0 FJAERN CCOC(=O)c1c(NC(=O)CC)sc(C)c1-c1ccc(Cl)cc1 ZINC000001973717 204023566 /nfs/dbraw/zinc/02/35/66/204023566.db2.gz BGEWGQXWXSJGQK-UHFFFAOYSA-N 0 0 351.855 4.902 10 0 FJAERN COc1cc2oc3ccccc3c2cc1NC(=O)COc1ccc(C)cc1 ZINC000004018966 204118844 /nfs/dbraw/zinc/11/88/44/204118844.db2.gz KQDXOQJKBAFHTN-UHFFFAOYSA-N 0 0 361.397 4.921 10 0 FJAERN CC(=O)c1sc(NC(=O)c2ccccc2CCc2ccccc2)nc1C ZINC000003422905 204099452 /nfs/dbraw/zinc/09/94/52/204099452.db2.gz WZKQSYKQDOIVMZ-UHFFFAOYSA-N 0 0 364.470 4.692 10 0 FJAERN CCCc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)c1)OCO2 ZINC000003627621 204109088 /nfs/dbraw/zinc/10/90/88/204109088.db2.gz KUMKKQUSXHLHRC-UHFFFAOYSA-N 0 0 351.324 4.639 10 0 FJAERN Cc1nnc(SCC(=O)Nc2ccc(/C=C\c3ccccc3)cc2)s1 ZINC000006974147 204284309 /nfs/dbraw/zinc/28/43/09/204284309.db2.gz UWCMDRRQRVTWSE-FPLPWBNLSA-N 0 0 367.499 4.748 10 0 FJAERN CCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000006734078 204264213 /nfs/dbraw/zinc/26/42/13/204264213.db2.gz BAGRJDAOGJEIML-LJQANCHMSA-N 0 0 350.462 4.615 10 0 FJAERN CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000008108616 204318417 /nfs/dbraw/zinc/31/84/17/204318417.db2.gz VQSMGSJNXGUZNU-CYBMUJFWSA-N 0 0 362.267 4.979 10 0 FJAERN CN(C(=O)Cn1c2ccccc2nc1-c1ccc(F)cc1)C1CCCCC1 ZINC000008787335 204345750 /nfs/dbraw/zinc/34/57/50/204345750.db2.gz HRQRCLUATPUKNR-UHFFFAOYSA-N 0 0 365.452 4.634 10 0 FJAERN Cc1cc(OCCn2c3ccccc3nc2C(C)(C)O)cc(C)c1Cl ZINC000008785981 204346884 /nfs/dbraw/zinc/34/68/84/204346884.db2.gz CKLJJKIGAKMBCL-UHFFFAOYSA-N 0 0 358.869 4.613 10 0 FJAERN O=C(c1cccc2ccccc21)N1CCC(CO)(CCc2ccccc2)CC1 ZINC000011815254 204416321 /nfs/dbraw/zinc/41/63/21/204416321.db2.gz AGOYHZRSDZXXRZ-UHFFFAOYSA-N 0 0 373.496 4.687 10 0 FJAERN CCCCOc1cccc(NC(=O)c2ccc(OCCOCC)cc2)c1 ZINC000009819499 204383440 /nfs/dbraw/zinc/38/34/40/204383440.db2.gz HVFLDIOZXJXJEW-UHFFFAOYSA-N 0 0 357.450 4.533 10 0 FJAERN COc1ccc(SCC(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 ZINC000010022932 204388092 /nfs/dbraw/zinc/38/80/92/204388092.db2.gz OKINSHVWXQQZCI-UHFFFAOYSA-N 0 0 358.488 4.653 10 0 FJAERN COc1cc2nc(NC(=O)Cc3ccc(C(C)C)cc3)sc2cc1OC ZINC000010096723 204390780 /nfs/dbraw/zinc/39/07/80/204390780.db2.gz FZLIGPXSRZCBLD-UHFFFAOYSA-N 0 0 370.474 4.618 10 0 FJAERN CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 ZINC000014553036 204582091 /nfs/dbraw/zinc/58/20/91/204582091.db2.gz QPWVMHYCHQCAPC-CYBMUJFWSA-N 0 0 362.267 4.979 10 0 FJAERN C[C@H]1C[C@H]1c1ccc(CNc2ccccc2I)o1 ZINC000020480141 204726031 /nfs/dbraw/zinc/72/60/31/204726031.db2.gz YJGNIZJNBAVGEH-CMPLNLGQSA-N 0 0 353.203 4.620 10 0 FJAERN Cc1oc(-c2ccccc2C)nc1CNC(=O)Nc1ccc(C)c(F)c1 ZINC000021635105 204755092 /nfs/dbraw/zinc/75/50/92/204755092.db2.gz AWNMYYAYFWJRQN-UHFFFAOYSA-N 0 0 353.397 4.728 10 0 FJAERN C[C@@H](Nc1cccc(-c2nnco2)c1)c1ccc(Br)s1 ZINC000038002087 204773548 /nfs/dbraw/zinc/77/35/48/204773548.db2.gz MGFLTKUSDSFGPH-SECBINFHSA-N 0 0 350.241 4.734 10 0 FJAERN CC(C)C(=O)Nc1ncc(Cc2ccc(Br)c(Cl)c2)s1 ZINC000036639362 205019569 /nfs/dbraw/zinc/01/95/69/205019569.db2.gz XFLZTOACMNTHEA-UHFFFAOYSA-N 0 0 373.703 4.744 10 0 FJAERN O=C(Nc1cccc(Br)n1)Nc1cc(Cl)ccc1Cl ZINC000036750254 205021243 /nfs/dbraw/zinc/02/12/43/205021243.db2.gz NSYLCHQSZPIXQD-UHFFFAOYSA-N 0 0 361.026 4.795 10 0 FJAERN CCn1cc(Br)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000036859668 205022109 /nfs/dbraw/zinc/02/21/09/205022109.db2.gz VNAQCHFYIXDNQY-UHFFFAOYSA-N 0 0 362.054 4.830 10 0 FJAERN Cc1cccc2sc(-c3cccc(I)c3)nc21 ZINC000073638891 205032201 /nfs/dbraw/zinc/03/22/01/205032201.db2.gz VGBUSFXBVZSVQG-UHFFFAOYSA-N 0 0 351.212 4.876 10 0 FJAERN Cc1ccc(C(=O)Nc2ccccc2C(=O)C(Cl)(Cl)Cl)cc1 ZINC000039123870 205044979 /nfs/dbraw/zinc/04/49/79/205044979.db2.gz HQSWIMNEPNCKSS-UHFFFAOYSA-N 0 0 356.636 4.800 10 0 FJAERN CCOc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)c(OCC)c1 ZINC000040165893 205061825 /nfs/dbraw/zinc/06/18/25/205061825.db2.gz VVNPQZHXQJDFHV-UHFFFAOYSA-N 0 0 371.820 4.905 10 0 FJAERN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)c1 ZINC000040178756 205062101 /nfs/dbraw/zinc/06/21/01/205062101.db2.gz HGKZZGVUOXJDGG-UHFFFAOYSA-N 0 0 351.402 4.833 10 0 FJAERN CC(C)CCn1c(CCNC(=O)c2ccccc2Cl)nc2ccccc21 ZINC000040199606 205062562 /nfs/dbraw/zinc/06/25/62/205062562.db2.gz ULVBUESAYMIJGJ-UHFFFAOYSA-N 0 0 369.896 4.708 10 0 FJAERN CC(C)(C)C(=O)NCc1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000040190255 205063009 /nfs/dbraw/zinc/06/30/09/205063009.db2.gz HBQUSUVNOSWXHY-UHFFFAOYSA-N 0 0 371.484 4.900 10 0 FJAERN Cc1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)cc1 ZINC000040180170 205063152 /nfs/dbraw/zinc/06/31/52/205063152.db2.gz IDFRGNKPDNMSSA-UHFFFAOYSA-N 0 0 372.403 4.634 10 0 FJAERN CCc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC000040180011 205063165 /nfs/dbraw/zinc/06/31/65/205063165.db2.gz TVVIRHIUOUXDHH-UHFFFAOYSA-N 0 0 368.868 4.859 10 0 FJAERN CC(C)CCn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 ZINC000040278825 205065619 /nfs/dbraw/zinc/06/56/19/205065619.db2.gz SUBKZYVCDUPVRA-UHFFFAOYSA-N 0 0 355.869 4.666 10 0 FJAERN Cc1c(Cl)ccc2c(NC(=O)COc3ccc(Cl)cc3)ccnc12 ZINC000040359197 205066926 /nfs/dbraw/zinc/06/69/26/205066926.db2.gz HUUMZSSONKJNTF-UHFFFAOYSA-N 0 0 361.228 4.868 10 0 FJAERN COc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000040307267 205067158 /nfs/dbraw/zinc/06/71/58/205067158.db2.gz WOWJKNGCPKGBCB-UHFFFAOYSA-N 0 0 371.440 4.659 10 0 FJAERN COc1ccccc1Nc1ncnc(Nc2cccc3ccccc32)c1N ZINC000040758875 205080375 /nfs/dbraw/zinc/08/03/75/205080375.db2.gz SOWIZFXSHIHZBH-UHFFFAOYSA-N 0 0 357.417 4.708 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)c(C)c1 ZINC000040755507 205080563 /nfs/dbraw/zinc/08/05/63/205080563.db2.gz MLMHIYBZEGGXGB-UHFFFAOYSA-N 0 0 357.820 4.955 10 0 FJAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040797664 205081182 /nfs/dbraw/zinc/08/11/82/205081182.db2.gz QTNNWCGQRGWPFK-UHFFFAOYSA-N 0 0 365.746 4.617 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3cccc(Cl)c3Cl)c2N)nc1 ZINC000040778757 205081586 /nfs/dbraw/zinc/08/15/86/205081586.db2.gz KTZCLKLVMIFMPE-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN Cc1cc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)ccc1Cl ZINC000040779530 205082146 /nfs/dbraw/zinc/08/21/46/205082146.db2.gz ADKWKYFOAPQVFB-UHFFFAOYSA-N 0 0 362.220 4.605 10 0 FJAERN CCc1ccccc1NC(=O)COc1c(C)cc(Br)cc1C ZINC000040865840 205082872 /nfs/dbraw/zinc/08/28/72/205082872.db2.gz DLZYLONQELFETL-UHFFFAOYSA-N 0 0 362.267 4.646 10 0 FJAERN O=C(NC(=S)N(C1CCCCC1)C1CCCCC1)C1CCCCC1 ZINC000040898679 205083752 /nfs/dbraw/zinc/08/37/52/205083752.db2.gz UIOFSAIDFFEBJT-UHFFFAOYSA-N 0 0 350.572 4.935 10 0 FJAERN COc1ccc(C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1 ZINC000040925841 205085293 /nfs/dbraw/zinc/08/52/93/205085293.db2.gz FXHGQAQVEHXMEA-UHFFFAOYSA-N 0 0 368.458 4.858 10 0 FJAERN CCCCCCNC(=O)CCCOc1ccc(CC)cc1Br ZINC000040942229 205085406 /nfs/dbraw/zinc/08/54/06/205085406.db2.gz FQGAKQKRJBQNEP-UHFFFAOYSA-N 0 0 370.331 4.867 10 0 FJAERN COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C)C ZINC000041011321 205087205 /nfs/dbraw/zinc/08/72/05/205087205.db2.gz BKTDGTHHCSMDPP-UHFFFAOYSA-N 0 0 357.475 4.675 10 0 FJAERN CCOc1ccc(CCC(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000041019363 205087222 /nfs/dbraw/zinc/08/72/22/205087222.db2.gz KJRSTHUSVOUGBD-UHFFFAOYSA-N 0 0 354.475 4.883 10 0 FJAERN COc1ccc(Nc2ccnc3ccc(Br)cc32)cc1OC ZINC000041055235 205087227 /nfs/dbraw/zinc/08/72/27/205087227.db2.gz VBLWKUYYWWGUIF-UHFFFAOYSA-N 0 0 359.223 4.758 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)n1 ZINC000040685271 205075441 /nfs/dbraw/zinc/07/54/41/205075441.db2.gz RGGWXNVJJOCISP-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN COc1ccc(Oc2ncnc(Oc3cccc4ccccc43)c2N)cc1 ZINC000040683489 205075459 /nfs/dbraw/zinc/07/54/59/205075459.db2.gz XIZVEYYJELVUNB-UHFFFAOYSA-N 0 0 359.385 4.805 10 0 FJAERN COc1ccccc1Oc1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687922 205075847 /nfs/dbraw/zinc/07/58/47/205075847.db2.gz RDJQFEFAZPZFFH-UHFFFAOYSA-N 0 0 359.385 4.805 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)cc1 ZINC000040701795 205076576 /nfs/dbraw/zinc/07/65/76/205076576.db2.gz FFJPAYJFUBIRRZ-UHFFFAOYSA-N 0 0 359.355 4.873 10 0 FJAERN COc1ccccc1Nc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703290 205077082 /nfs/dbraw/zinc/07/70/82/205077082.db2.gz YGOIIDGOQDOKSU-UHFFFAOYSA-N 0 0 355.829 4.516 10 0 FJAERN Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040705075 205077837 /nfs/dbraw/zinc/07/78/37/205077837.db2.gz HCNLFYJYHITPPQ-UHFFFAOYSA-N 0 0 361.783 4.786 10 0 FJAERN Fc1ccccc1[C@H]1C[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299741592 205123345 /nfs/dbraw/zinc/12/33/45/205123345.db2.gz GPWBIMZJXKUWRB-MJQMVNBJSA-N 0 0 350.393 4.725 10 0 FJAERN Cc1ccc(C)c(-c2nonc2NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000047133340 205143419 /nfs/dbraw/zinc/14/34/19/205143419.db2.gz NAFAEZWOKAUQSZ-UHFFFAOYSA-N 0 0 362.216 4.913 10 0 FJAERN O[C@@H](Cc1ccc(F)c(Br)c1)c1ccc(Br)cc1 ZINC000049598324 205174472 /nfs/dbraw/zinc/17/44/72/205174472.db2.gz LTCSJIGDMUICBX-AWEZNQCLSA-N 0 0 374.047 4.627 10 0 FJAERN Nc1ccc(F)cc1Nc1cc(Br)ccc1Br ZINC000052121427 205184208 /nfs/dbraw/zinc/18/42/08/205184208.db2.gz JEXDVAWGJFDFGI-UHFFFAOYSA-N 0 0 360.024 4.677 10 0 FJAERN O[C@H](Cc1ccc(Br)cc1F)c1cccc(Br)c1 ZINC000053783510 205196871 /nfs/dbraw/zinc/19/68/71/205196871.db2.gz GJQWFFWXNIDJBV-CQSZACIVSA-N 0 0 374.047 4.627 10 0 FJAERN CC(C)(C)c1ncc(CNc2ccccc2I)s1 ZINC000062838832 205293066 /nfs/dbraw/zinc/29/30/66/205293066.db2.gz QCZZVQKGGNAVRJ-UHFFFAOYSA-N 0 0 372.275 4.657 10 0 FJAERN O=C(CCCOc1ccc(Cl)cc1)Nc1nc2c(cccc2F)s1 ZINC000065004920 205313742 /nfs/dbraw/zinc/31/37/42/205313742.db2.gz RKJNKHDORHDSHU-UHFFFAOYSA-N 0 0 364.829 4.887 10 0 FJAERN Cc1cccc(OCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)c1 ZINC000065003079 205314197 /nfs/dbraw/zinc/31/41/97/205314197.db2.gz CBNDQPFXTFKKJX-UHFFFAOYSA-N 0 0 354.475 4.920 10 0 FJAERN CCOC(=O)c1sc2nc(-c3ccc(Cl)cc3Cl)cn2c1C ZINC000040437642 205374942 /nfs/dbraw/zinc/37/49/42/205374942.db2.gz IUTXQBSNWGUSRF-UHFFFAOYSA-N 0 0 355.246 4.855 10 0 FJAERN Cc1cccc(NC(=O)c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)c1 ZINC000072450677 205553782 /nfs/dbraw/zinc/55/37/82/205553782.db2.gz JNPPXVXTAMHTDW-UHFFFAOYSA-N 0 0 354.409 4.756 10 0 FJAERN Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)[nH]2)cc1 ZINC000072451031 205553994 /nfs/dbraw/zinc/55/39/94/205553994.db2.gz VLNGKEISWQFARG-UHFFFAOYSA-N 0 0 372.346 4.621 10 0 FJAERN Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)c(=O)[nH]2)cc1 ZINC000072451069 205554652 /nfs/dbraw/zinc/55/46/52/205554652.db2.gz KIGREGGSROSWAB-UHFFFAOYSA-N 0 0 373.239 4.909 10 0 FJAERN CCc1nn2cc3c(nc2c1-c1cccc(Cl)c1)CC(C)(C)CC3=O ZINC000072464080 205557429 /nfs/dbraw/zinc/55/74/29/205557429.db2.gz TXRBNXVLJKYMLA-UHFFFAOYSA-N 0 0 353.853 4.767 10 0 FJAERN O=C(Nc1ccccc1)Nc1cc(Br)cc(Br)c1 ZINC000040957901 211766098 /nfs/dbraw/zinc/76/60/98/211766098.db2.gz ATLUFNAETXCIGU-UHFFFAOYSA-N 0 0 370.044 4.856 10 0 FJAERN Cc1c(C(=O)Nc2cccc3nc(C)ccc32)oc2c1C(=O)CC(C)(C)C2 ZINC000040803816 211758855 /nfs/dbraw/zinc/75/88/55/211758855.db2.gz YJTCUTFLDMOGJS-UHFFFAOYSA-N 0 0 362.429 4.852 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3cccc4cccnc43)c2N)c1C ZINC000040755030 211758949 /nfs/dbraw/zinc/75/89/49/211758949.db2.gz BJYIXHSANACBKS-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cccc(C(F)(F)F)c1 ZINC000040781913 211759920 /nfs/dbraw/zinc/75/99/20/211759920.db2.gz WVUZZBIRCNNOME-UHFFFAOYSA-N 0 0 363.318 4.704 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2nc3ccccc3s2)C1 ZINC000085332754 205662165 /nfs/dbraw/zinc/66/21/65/205662165.db2.gz PVPKMNXONJKZIX-LBPRGKRZSA-N 0 0 350.509 4.788 10 0 FJAERN Cc1ccccc1[C@@H](C)NC(=O)c1cc(Br)ccc1Cl ZINC000017963529 220220747 /nfs/dbraw/zinc/22/07/47/220220747.db2.gz ALRRNXPVDAPBJV-LLVKDONJSA-N 0 0 352.659 4.902 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cc(Cl)cc(Cl)c1 ZINC000040701026 211753435 /nfs/dbraw/zinc/75/34/35/211753435.db2.gz UXJRTZKRJZDSPQ-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN COc1ccccc1Nc1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687819 211753196 /nfs/dbraw/zinc/75/31/96/211753196.db2.gz PGRCBTKNXKZBAI-UHFFFAOYSA-N 0 0 358.401 4.757 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOc2nsc3ccccc32)C1 ZINC000095085180 205722276 /nfs/dbraw/zinc/72/22/76/205722276.db2.gz XOMKOJHLCCQNNJ-CQSZACIVSA-N 0 0 362.495 4.712 10 0 FJAERN COCCn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040404734 211744539 /nfs/dbraw/zinc/74/45/39/211744539.db2.gz LSBOOAFXTOWJTD-UHFFFAOYSA-N 0 0 351.233 4.569 10 0 FJAERN CCOC(=O)c1cc(OC)c2c(OC(C)C)ccc(Br)c2c1 ZINC000095937713 205795307 /nfs/dbraw/zinc/79/53/07/205795307.db2.gz FYNUQVOFNBVXGZ-UHFFFAOYSA-N 0 0 367.239 4.575 10 0 FJAERN C[C@@H]1c2cc(Cl)c(OC(=O)N(C)C)cc2OC[C@H]1Cc1ccccc1 ZINC000095932155 205795436 /nfs/dbraw/zinc/79/54/36/205795436.db2.gz LEKUTGGJGLHXNJ-DZGCQCFKSA-N 0 0 359.853 4.755 10 0 FJAERN CCc1ccc(CNc2cc(Br)ccc2Br)o1 ZINC000104027337 205997013 /nfs/dbraw/zinc/99/70/13/205997013.db2.gz GDIWWKQOFOGQDW-UHFFFAOYSA-N 0 0 359.061 4.979 10 0 FJAERN CCCOc1ccccc1NC(=O)c1c(C)oc(C)c1Br ZINC000105973517 206011626 /nfs/dbraw/zinc/01/16/26/206011626.db2.gz SFQPUYAOHIZRTC-UHFFFAOYSA-N 0 0 352.228 4.700 10 0 FJAERN C[C@@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)c1ccc2ccccc2c1 ZINC000109025013 206043514 /nfs/dbraw/zinc/04/35/14/206043514.db2.gz PGLKWHIIBXAOIC-OAHLLOKOSA-N 0 0 359.404 4.656 10 0 FJAERN COc1ccccc1-c1nc(C(=O)N[C@@H]2CCCc3ccccc32)cs1 ZINC000109453969 206056970 /nfs/dbraw/zinc/05/69/70/206056970.db2.gz PDUPDYCNRMLWTQ-QGZVFWFLSA-N 0 0 364.470 4.626 10 0 FJAERN CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000226335506 206121227 /nfs/dbraw/zinc/12/12/27/206121227.db2.gz HLXXNXDQNKDNMQ-CMDGGOBGSA-N 0 0 364.800 4.643 10 0 FJAERN CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 ZINC000226335696 206121323 /nfs/dbraw/zinc/12/13/23/206121323.db2.gz OFAMYSPBEIIXLD-BQYQJAHWSA-N 0 0 364.800 4.643 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCCC1 ZINC000226330785 206121475 /nfs/dbraw/zinc/12/14/75/206121475.db2.gz DKQPUJGAKRDGPI-UHFFFAOYSA-N 0 0 364.276 4.737 10 0 FJAERN Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)o1 ZINC000226321780 206122239 /nfs/dbraw/zinc/12/22/39/206122239.db2.gz QEZYDFOCUKXHJG-UHFFFAOYSA-N 0 0 370.623 4.858 10 0 FJAERN Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2Cl)cc(C)c1Cl ZINC000227145495 206124387 /nfs/dbraw/zinc/12/43/87/206124387.db2.gz TUZFEDDYGVKSSO-UHFFFAOYSA-N 0 0 353.249 4.518 10 0 FJAERN Fc1cc(F)c(NCc2ccc(Br)o2)c(Br)c1 ZINC000037392808 211680408 /nfs/dbraw/zinc/68/04/08/211680408.db2.gz DMRCJHBTKHXJFL-UHFFFAOYSA-N 0 0 366.987 4.695 10 0 FJAERN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1ccc(C)cc1 ZINC000001932254 206228341 /nfs/dbraw/zinc/22/83/41/206228341.db2.gz LFILMSRQDOHZIP-UHFFFAOYSA-N 0 0 363.504 4.526 10 0 FJAERN O[C@@H](CNc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000104017437 206235649 /nfs/dbraw/zinc/23/56/49/206235649.db2.gz AJCWMHLZUXXTRJ-AWEZNQCLSA-N 0 0 361.066 4.901 10 0 FJAERN O[C@@H](CNc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000104001854 206235710 /nfs/dbraw/zinc/23/57/10/206235710.db2.gz ARWVIZXAQVKCCG-AWEZNQCLSA-N 0 0 361.066 4.901 10 0 FJAERN O[C@H](Cc1ccc(Br)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000109712393 206247199 /nfs/dbraw/zinc/24/71/99/206247199.db2.gz VTRFOSZICHCWOF-CYBMUJFWSA-N 0 0 360.078 4.902 10 0 FJAERN O=C(c1cccc(Br)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000169333161 206251686 /nfs/dbraw/zinc/25/16/86/206251686.db2.gz YZZIFCWWEWCJMP-SFHVURJKSA-N 0 0 352.231 4.859 10 0 FJAERN Fc1cccc(CNc2ccc(Br)cc2Br)c1 ZINC000035040477 211629218 /nfs/dbraw/zinc/62/92/18/211629218.db2.gz BGTQJNAPVVUHJH-UHFFFAOYSA-N 0 0 359.036 4.963 10 0 FJAERN COc1cc(CNc2ccc(C(C)C)cc2)cc(Br)c1O ZINC000019912327 206327915 /nfs/dbraw/zinc/32/79/15/206327915.db2.gz OYZARGLTGORJND-UHFFFAOYSA-N 0 0 350.256 4.899 10 0 FJAERN FC(F)(F)c1c(Br)cnn1-c1cccc(C(F)(F)F)c1 ZINC000020593956 206343191 /nfs/dbraw/zinc/34/31/91/206343191.db2.gz GNRXFEGUIYLIOB-UHFFFAOYSA-N 0 0 359.067 4.672 10 0 FJAERN CC[C@@H](C)c1ccc([C@H]([NH3+])c2ccccc2I)cc1 ZINC000021504611 206358964 /nfs/dbraw/zinc/35/89/64/206358964.db2.gz CLWDXWVIZYWVOC-PXAZEXFGSA-N 0 0 365.258 4.853 10 0 FJAERN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccc(F)cc2)o1 ZINC000027980067 206461360 /nfs/dbraw/zinc/46/13/60/206461360.db2.gz OGZKICLNIUPREI-HXUWFJFHSA-N 0 0 365.404 4.805 10 0 FJAERN O=C(Nc1nn(Cc2ccccc2F)cc1Cl)Nc1cccc(F)c1 ZINC000032609659 206511963 /nfs/dbraw/zinc/51/19/63/206511963.db2.gz FOBKAHZLIDULOU-UHFFFAOYSA-N 0 0 362.767 4.507 10 0 FJAERN COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1OC ZINC000029128908 211505614 /nfs/dbraw/zinc/50/56/14/211505614.db2.gz SSXXVXNZLNMBHC-NRFANRHFSA-N 0 0 358.441 4.810 10 0 FJAERN Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c43)cc2)c1 ZINC000028604289 211493445 /nfs/dbraw/zinc/49/34/45/211493445.db2.gz SPMHGQZFMNZCBV-UHFFFAOYSA-N 0 0 357.417 4.765 10 0 FJAERN C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1cccc(Br)c1 ZINC000027744631 211472031 /nfs/dbraw/zinc/47/20/31/211472031.db2.gz CAQORFVKESZJOX-MRVPVSSYSA-N 0 0 374.612 4.872 10 0 FJAERN Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1 ZINC000023506428 211392026 /nfs/dbraw/zinc/39/20/26/211392026.db2.gz APMFRXUJBWPZPO-NRFANRHFSA-N 0 0 363.461 4.911 10 0 FJAERN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2ccc3c(c2)OCO3)s1 ZINC000023317107 211383601 /nfs/dbraw/zinc/38/36/01/211383601.db2.gz KWOABKAUMLCSLG-INIZCTEOSA-N 0 0 363.438 4.561 10 0 FJAERN CC(=O)Nc1ccc(C)c(N[C@H](C)c2ccc(Br)s2)c1 ZINC000038003134 211341620 /nfs/dbraw/zinc/34/16/20/211341620.db2.gz ZXJCTMVSESFJNQ-SNVBAGLBSA-N 0 0 353.285 4.951 10 0 FJAERN O=C(c1cc(Br)ccc1Cl)N(Cc1ccco1)C1CC1 ZINC000037982064 211333151 /nfs/dbraw/zinc/33/31/51/211333151.db2.gz FZMWEHXZHUGTBR-UHFFFAOYSA-N 0 0 354.631 4.500 10 0 FJAERN Fc1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000021021829 211304063 /nfs/dbraw/zinc/30/40/63/211304063.db2.gz SGIOGCYQYMRZNZ-UHFFFAOYSA-N 0 0 360.020 4.930 10 0 FJAERN Nc1cc(Br)ccc1Oc1ccc(F)cc1Br ZINC000021048202 211305540 /nfs/dbraw/zinc/30/55/40/211305540.db2.gz MBRZTFCGVTWDSO-UHFFFAOYSA-N 0 0 361.008 4.725 10 0 FJAERN Ic1ccccc1Nc1nc2ccccc2s1 ZINC000020303614 211272177 /nfs/dbraw/zinc/27/21/77/211272177.db2.gz JWNRSRRUXASXSE-UHFFFAOYSA-N 0 0 352.200 4.645 10 0 FJAERN CCOC(=O)c1c(C)[nH]c(CN(C(=O)CC(C)C)C2CCCCC2)c1C ZINC000015862490 211147543 /nfs/dbraw/zinc/14/75/43/211147543.db2.gz LAKQXSISCRXODZ-UHFFFAOYSA-N 0 0 362.514 4.516 10 0 FJAERN Cc1c(CCc2ccccn2)n2ccccc2c1C(=O)c1ccc(F)cc1 ZINC000012511458 210962793 /nfs/dbraw/zinc/96/27/93/210962793.db2.gz PQNVIVZGEIULFM-UHFFFAOYSA-N 0 0 358.416 4.798 10 0 FJAERN CCOCCOc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000010325115 210869018 /nfs/dbraw/zinc/86/90/18/210869018.db2.gz SOPRUIWNSUAZJN-UHFFFAOYSA-N 0 0 354.233 4.661 10 0 FJAERN CCOCCOc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000010215691 210866688 /nfs/dbraw/zinc/86/66/88/210866688.db2.gz CPBPMKVYBCXOJM-UHFFFAOYSA-N 0 0 354.233 4.661 10 0 FJAERN O=C(CCc1ccccc1Cl)NC(=S)Nc1cccc2ccccc21 ZINC000010012697 210860596 /nfs/dbraw/zinc/86/05/96/210860596.db2.gz CPAZFIDBWLSWBD-UHFFFAOYSA-N 0 0 368.889 4.939 10 0 FJAERN FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(c2ccccc2)=N1 ZINC000006474805 210675017 /nfs/dbraw/zinc/67/50/17/210675017.db2.gz LUJCHRHHAIIZRX-UHFFFAOYSA-N 0 0 372.268 4.731 10 0 FJAERN COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000006216730 210662880 /nfs/dbraw/zinc/66/28/80/210662880.db2.gz MHHLQXWNONFYKV-UHFFFAOYSA-N 0 0 364.470 4.950 10 0 FJAERN Cc1ccc(CSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)cc1 ZINC000001973077 210376465 /nfs/dbraw/zinc/37/64/65/210376465.db2.gz ONEFISKUVLLHDF-GFCCVEGCSA-N 0 0 356.516 4.710 10 0 FJAERN Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)n(Cc2ccccc2)n1 ZINC000028220104 220560924 /nfs/dbraw/zinc/56/09/24/220560924.db2.gz DKCKUSHYVBIXRR-UHFFFAOYSA-N 0 0 374.366 4.903 10 0 FJAERN Cc1ccccc1NC(=O)Nc1ccc(Br)c2cccnc12 ZINC000027930406 220553530 /nfs/dbraw/zinc/55/35/30/220553530.db2.gz BDYYQFYRLOBTCW-UHFFFAOYSA-N 0 0 356.223 4.950 10 0 FJAERN O=C(Nc1ccc(Br)c2cccnc12)[C@@H]1C[C@@H]1c1ccccc1 ZINC000027930455 220553602 /nfs/dbraw/zinc/55/36/02/220553602.db2.gz RHLHUZHAGZEMBR-HUUCEWRRSA-N 0 0 367.246 4.740 10 0 FJAERN CC[C@H](C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C)c1ccccc1 ZINC000032610614 220667486 /nfs/dbraw/zinc/66/74/86/220667486.db2.gz RJJPCDGJGJYFRL-IBGZPJMESA-N 0 0 365.452 4.820 10 0 FJAERN C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000044383350 220955540 /nfs/dbraw/zinc/95/55/40/220955540.db2.gz JNGWFQDEKFVSHD-BEFAXECRSA-N 0 0 365.502 4.548 10 0 FJAERN O=S(=O)(c1ccc(Cl)cc1)N1[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000059121188 221124358 /nfs/dbraw/zinc/12/43/58/221124358.db2.gz BWBOPERMSRBPCQ-WOJBJXKFSA-N 0 0 369.873 4.827 10 0 FJAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000069300494 221323638 /nfs/dbraw/zinc/32/36/38/221323638.db2.gz FKMZHXQIPSYOGW-HNNXBMFYSA-N 0 0 363.417 4.723 10 0 FJAERN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccccc1Cl ZINC000071326695 221342841 /nfs/dbraw/zinc/34/28/41/221342841.db2.gz LWGBEHCXTHMHGB-UHFFFAOYSA-N 0 0 363.914 4.780 10 0 FJAERN COc1ccc([C@@H](C)NC(=O)c2oc3ccc(Cl)cc3c2C)cc1OC ZINC000071863910 221383672 /nfs/dbraw/zinc/38/36/72/221383672.db2.gz VTUZGQDGWZHKNR-GFCCVEGCSA-N 0 0 373.836 4.903 10 0 FJAERN CCOc1cccc(NC(=O)N[C@@H](C)c2ccccc2Br)c1 ZINC000071944011 221389434 /nfs/dbraw/zinc/38/94/34/221389434.db2.gz MXYQILWHIXYICS-LBPRGKRZSA-N 0 0 363.255 4.731 10 0 FJAERN c1cc2c(nc(NCc3cccnc3)cc2-c2cnc3ccccc3c2)[nH]1 ZINC000072130625 221413855 /nfs/dbraw/zinc/41/38/55/221413855.db2.gz WMZNWRALLZYQQF-UHFFFAOYSA-N 0 0 351.413 4.785 10 0 FJAERN FC(F)(F)c1cccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072434797 221527322 /nfs/dbraw/zinc/52/73/22/221527322.db2.gz QGFIVVYTXWELAD-UHFFFAOYSA-N 0 0 369.350 4.651 10 0 FJAERN Cc1ccccc1N1CCN(C(=O)/C=C\c2cccc3ccccc23)CC1 ZINC000096437872 132225268 /nfs/dbraw/zinc/22/52/68/132225268.db2.gz YEAOULCGHYNREB-YPKPFQOOSA-N 0 0 356.469 4.510 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1C[C@H](C)C[C@@H](C)C1 ZINC000226330182 132250321 /nfs/dbraw/zinc/25/03/21/132250321.db2.gz QOMYHLOYEMUXJR-ZIAGYGMSSA-N 0 0 371.912 4.965 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC[C@@H]1C ZINC000226330383 132250446 /nfs/dbraw/zinc/25/04/46/132250446.db2.gz WLTYODXHAXIIHG-AWEZNQCLSA-N 0 0 357.885 4.862 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1[C@H](C)CCC[C@H]1C ZINC000226330015 132250495 /nfs/dbraw/zinc/25/04/95/132250495.db2.gz GUFDPWJUXXLYLN-HUUCEWRRSA-N 0 0 355.457 4.736 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1[C@H](C)CCC[C@H]1C ZINC000226330367 132250576 /nfs/dbraw/zinc/25/05/76/132250576.db2.gz WLDRYEIACHYWAP-HUUCEWRRSA-N 0 0 355.457 4.736 10 0 FJAERN c1cc2c(o1)N=C(c1ccccc1)N(c1ccccc1)[C@H]2NC[C@@H]1CCCO1 ZINC000216148989 132271236 /nfs/dbraw/zinc/27/12/36/132271236.db2.gz WOBFUJWABCDJJT-SIKLNZKXSA-N 0 0 373.456 4.645 10 0 FJAERN FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccccc2Cl)c1 ZINC000226240743 132374598 /nfs/dbraw/zinc/37/45/98/132374598.db2.gz KINAXGVDHMLTML-UHFFFAOYSA-N 0 0 370.802 4.808 10 0 FJAERN CCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 ZINC000226268299 132374876 /nfs/dbraw/zinc/37/48/76/132374876.db2.gz PYMBKMAHMNKIKQ-UHFFFAOYSA-N 0 0 367.493 4.546 10 0 FJAERN Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccccc3)cn12 ZINC000004930756 132825505 /nfs/dbraw/zinc/82/55/05/132825505.db2.gz HLYVMVMIKOTQTK-UHFFFAOYSA-N 0 0 373.481 4.964 10 0 FJAERN Cc1cc(Cl)ccc1Nc1ncnc(N2CCCc3ccccc32)c1N ZINC000040703276 136119879 /nfs/dbraw/zinc/11/98/79/136119879.db2.gz KMZZZHJUMMTQAE-UHFFFAOYSA-N 0 0 365.868 4.849 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1nsc2ccccc21 ZINC000095086380 221847155 /nfs/dbraw/zinc/84/71/55/221847155.db2.gz NJIGMXPIJIMNLF-CQSZACIVSA-N 0 0 362.495 4.855 10 0 FJAERN O[C@H](CNc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000104001857 222348728 /nfs/dbraw/zinc/34/87/28/222348728.db2.gz ARWVIZXAQVKCCG-CQSZACIVSA-N 0 0 361.066 4.901 10 0 FJAERN Nc1n[nH]c(-c2sccc2Br)c1-c1ccccc1Cl ZINC000104284469 222353814 /nfs/dbraw/zinc/35/38/14/222353814.db2.gz PJBPVMBEXMVLJT-UHFFFAOYSA-N 0 0 354.660 4.803 10 0 FJAERN COc1cccc2cc([C@H](C)NC(=O)C3C4CC5CC(C4)CC3C5)oc21 ZINC000105889266 222378207 /nfs/dbraw/zinc/37/82/07/222378207.db2.gz ULZNTFKKZIOLDQ-PJIQEZCUSA-N 0 0 353.462 4.691 10 0 FJAERN CCc1c(C(=O)N[C@@H]2CCc3ccccc32)cnn1-c1cccc(Cl)c1 ZINC000105921818 222379156 /nfs/dbraw/zinc/37/91/56/222379156.db2.gz RQIRERMSPONSQT-LJQANCHMSA-N 0 0 365.864 4.505 10 0 FJAERN CCOc1ccccc1Cc1cc(I)ccc1Cl ZINC000504632564 263752783 /nfs/dbraw/zinc/75/27/83/263752783.db2.gz RYYDEFYMXWGLFY-UHFFFAOYSA-N 0 0 372.633 4.934 10 0 FJAERN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)OCc3ccccc3)ccc21 ZINC000089209610 518815600 /nfs/dbraw/zinc/81/56/00/518815600.db2.gz OEASUFLNPCCMEH-UHFFFAOYSA-N 0 0 368.433 4.733 10 0 FJAERN CC(C)(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 ZINC000226254391 535109415 /nfs/dbraw/zinc/10/94/15/535109415.db2.gz MFSBPSVAGPEUDT-UHFFFAOYSA-N 0 0 351.494 4.809 10 0 FJAERN COc1ccc(-c2ccc(N3CCN(c4ccccc4)CC3)s2)cc1 ZINC000057509358 536896755 /nfs/dbraw/zinc/89/67/55/536896755.db2.gz LUZJPAQTBSSDNF-UHFFFAOYSA-N 0 0 350.487 4.750 10 0 FJAERN COc1ccccc1C(=O)Nc1cc(N2[C@@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000226331596 537001136 /nfs/dbraw/zinc/00/11/36/537001136.db2.gz KGFFUIZBXVHVQJ-HOTGVXAUSA-N 0 0 367.493 4.605 10 0 FJAERN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000025707772 567836432 /nfs/dbraw/zinc/83/64/32/567836432.db2.gz AAJYFRRDCCJLKK-NSHDSACASA-N 0 0 360.866 4.785 10 0 FJAERN C[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)C(C)(C)c1ccccc1 ZINC000188590068 567974775 /nfs/dbraw/zinc/97/47/75/567974775.db2.gz NHBWOKWRCDWKBV-QGZVFWFLSA-N 0 0 360.505 4.593 10 0 FJAERN C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1Br ZINC000007651555 568250704 /nfs/dbraw/zinc/25/07/04/568250704.db2.gz 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/nfs/dbraw/zinc/91/91/91/570919191.db2.gz LOEITIDCZFCGDT-UHFFFAOYSA-N 0 0 363.511 4.883 10 0 FJAERN COC(=O)c1ccc(C)c(-c2ccc(C(F)(F)Br)cc2)c1 ZINC000584881522 570988278 /nfs/dbraw/zinc/98/82/78/570988278.db2.gz KAQOJYKLTYERPK-UHFFFAOYSA-N 0 0 355.178 4.893 10 0 FJAERN NC(=O)/C=C\c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 ZINC000352064150 571191142 /nfs/dbraw/zinc/19/11/42/571191142.db2.gz VMOOVIBHRGBFJJ-RQOWECAXSA-N 0 0 361.022 4.514 10 0 FJAERN CC[C@H](C(=O)Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1 ZINC000224284865 571198758 /nfs/dbraw/zinc/19/87/58/571198758.db2.gz QMPMJTJEWVWWFY-INIZCTEOSA-N 0 0 351.381 4.540 10 0 FJAERN CCN(CCNC(=O)c1cc2cn(C(C)C)cc2s1)c1ccccc1 ZINC000097111597 571204514 /nfs/dbraw/zinc/20/45/14/571204514.db2.gz OLNMHDUSPDDDKC-UHFFFAOYSA-N 0 0 355.507 4.540 10 0 FJAERN CC[C@@H]1CCc2c3c(nc(-c4ccccc4)c2C1)[nH]n(-c1ccccc1)c3=O ZINC000170622723 571269036 /nfs/dbraw/zinc/26/90/36/571269036.db2.gz VBIWSLSCRHILFI-MRXNPFEDSA-N 0 0 369.468 4.896 10 0 FJAERN CCCOc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1 ZINC000226242727 571276053 /nfs/dbraw/zinc/27/60/53/571276053.db2.gz FSYCWHMXNWYZJP-UHFFFAOYSA-N 0 0 364.239 4.504 10 0 FJAERN CC(=O)c1cc2c(N)c(C(=O)c3cc(C)cc(C)c3C)sc2nc1C ZINC000095117487 571328656 /nfs/dbraw/zinc/32/86/56/571328656.db2.gz KECWIZICFIAHNY-UHFFFAOYSA-N 0 0 352.459 4.546 10 0 FJAERN Fc1ccc(-c2nc3ncccn3c2NCc2ccc(Cl)cc2)cc1F ZINC000020996906 571332070 /nfs/dbraw/zinc/33/20/70/571332070.db2.gz ARGQOGIJLKNZFO-UHFFFAOYSA-N 0 0 370.790 4.940 10 0 FJAERN Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C)CC3 ZINC000003893845 571352993 /nfs/dbraw/zinc/35/29/93/571352993.db2.gz LVBUNDYHYWPPRR-ZDUSSCGKSA-N 0 0 355.459 4.667 10 0 FJAERN CC(C)CNC(=O)/C=C/C=C/CCCCCCc1ccc2c(c1)OCO2 ZINC000014685594 571719835 /nfs/dbraw/zinc/71/98/35/571719835.db2.gz DMIKQRDDTCGOLE-VTKKNFPDSA-N 0 0 357.494 4.793 10 0 endogenous,in-man FJAERN COc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1 ZINC000000701855 210262254 /nfs/dbraw/zinc/26/22/54/210262254.db2.gz USDHALJZGIXYCW-UHFFFAOYSA-N 0 0 360.413 4.508 10 0 FJAERN CCOc1ccc(/N=c2/nc(Nc3ccccc3)ss2)c(OCC)c1 ZINC000035967146 210246380 /nfs/dbraw/zinc/24/63/80/210246380.db2.gz ADTHGNSVNURTTO-UHFFFAOYSA-N 0 0 373.503 4.978 10 0 FJAERN Cc1nnc(SCc2ccccc2)nc1C=CNc1ccc(F)cc1 ZINC000100104768 210244143 /nfs/dbraw/zinc/24/41/43/210244143.db2.gz CADNMOFDCBLTJK-QXMHVHEDSA-N 0 0 352.438 4.694 10 0 FJAERN Cc1cccc2sc(-n3c(=O)c4ccccc4nc3-c3ccccc3)nc21 ZINC000090398607 210235498 /nfs/dbraw/zinc/23/54/98/210235498.db2.gz WSYMJMHNXCUCOR-UHFFFAOYSA-N 0 0 369.449 4.971 10 0 FJAERN Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC(C)C)c1 ZINC000006483671 210231638 /nfs/dbraw/zinc/23/16/38/210231638.db2.gz RAVQXTOXTZWMKS-UHFFFAOYSA-N 0 0 351.855 4.842 10 0 FJAERN CNC(=O)O[C@@H](c1nc2cc(Cl)ccc2o1)c1ccccc1Cl ZINC000005605271 210229719 /nfs/dbraw/zinc/22/97/19/210229719.db2.gz ZSFLFHWBZVWNKR-CQSZACIVSA-N 0 0 351.189 4.580 10 0 FJAERN CCOC(=O)c1cc(N)cc(Oc2ccc(SC(F)(F)F)cc2)c1 ZINC000043463426 210189100 /nfs/dbraw/zinc/18/91/00/210189100.db2.gz DBTLHIWEILDPEB-UHFFFAOYSA-N 0 0 357.353 4.850 10 0 FJAERN CCCCOc1ccc(C(=O)Nc2cc(N)ccc2N(CC)CC)cc1 ZINC000226261654 210177552 /nfs/dbraw/zinc/17/75/52/210177552.db2.gz OIDPPYKCHIINNO-UHFFFAOYSA-N 0 0 355.482 4.546 10 0 FJAERN CC[C@H]1c2c(nc(C)nc2SCC(=O)Nc2ccccc2)S[C@H]1C ZINC000215967387 222656620 /nfs/dbraw/zinc/65/66/20/222656620.db2.gz WHTIOXVXAFIRHM-SMDDNHRTSA-N 0 0 359.520 4.504 10 0 FJAERN CC(C)=CC[C@@H]1[C@H](C2=NO[C@@H](c3ccccc3)C2)CC[C@H]1C1OCCO1 ZINC000334161947 210164076 /nfs/dbraw/zinc/16/40/76/210164076.db2.gz HSLQKXUHWKOIRG-ANTGDGSKSA-N 0 0 355.478 4.876 10 0 FJAERN CC(C)=CC[C@@H]1[C@H](C2=NO[C@@H](c3ccccc3)C2)CC[C@@H]1C1OCCO1 ZINC000334161949 210163830 /nfs/dbraw/zinc/16/38/30/210163830.db2.gz HSLQKXUHWKOIRG-WERVVEIQSA-N 0 0 355.478 4.876 10 0 FJAERN CCC(CC)C(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OC ZINC000028284507 210163567 /nfs/dbraw/zinc/16/35/67/210163567.db2.gz VIHYKIRJZOIYNH-UHFFFAOYSA-N 0 0 361.463 4.585 10 0 FJAERN CSc1cccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000011878769 210102799 /nfs/dbraw/zinc/10/27/99/210102799.db2.gz CCVZNIOLKWRWQS-CQSZACIVSA-N 0 0 355.482 4.893 10 0 FJAERN Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Br ZINC000040297217 210044102 /nfs/dbraw/zinc/04/41/02/210044102.db2.gz LDQLIOXBFJXIJQ-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000224336282 222812066 /nfs/dbraw/zinc/81/20/66/222812066.db2.gz KEKBLHPUAGHXRM-UHFFFAOYSA-N 0 0 371.799 4.931 10 0 FJAERN COc1ccc(-c2ccc(C(=O)Nc3cc(N)ccc3F)o2)cc1Cl ZINC000226765685 222887564 /nfs/dbraw/zinc/88/75/64/222887564.db2.gz RMMZTGRLQYODMA-UHFFFAOYSA-N 0 0 360.772 4.582 10 0 FJAERN CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C)c2C)c1 ZINC000010122881 219893798 /nfs/dbraw/zinc/89/37/98/219893798.db2.gz GKBXCDCXDUGJBC-AWEZNQCLSA-N 0 0 356.491 4.608 10 0 FJAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000062576102 212030285 /nfs/dbraw/zinc/03/02/85/212030285.db2.gz YZWOQFJTJLEFMB-UHFFFAOYSA-N 0 0 374.362 4.641 10 0 FJAERN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1C ZINC000005744631 203812624 /nfs/dbraw/zinc/81/26/24/203812624.db2.gz RAZFBCDOGLDGJN-WEVVVXLNSA-N 0 0 360.251 4.726 10 0 FJAERN Cc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1Cl ZINC000226271800 203879688 /nfs/dbraw/zinc/87/96/88/203879688.db2.gz LHURPMMBXQECMZ-UHFFFAOYSA-N 0 0 368.742 4.982 10 0 FJAERN CCC1=C(c2ccc(OC(C)=O)cc2)[C@@H](C)Oc2cc(OC(C)=O)ccc21 ZINC000005004113 203919168 /nfs/dbraw/zinc/91/91/68/203919168.db2.gz YYTISEUENPEWHA-CYBMUJFWSA-N 0 0 366.413 4.639 10 0 FJAERN Cc1ccc2c(c1)C(c1ccccc1)=N[C@@H](c1ccccc1)CC(=O)N2C ZINC000018322706 203925840 /nfs/dbraw/zinc/92/58/40/203925840.db2.gz GVSHBKWNJNNLPW-OAQYLSRUSA-N 0 0 354.453 4.940 10 0 FJAERN O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1OCc1ccccc1 ZINC000038149937 203931001 /nfs/dbraw/zinc/93/10/01/203931001.db2.gz GNVMQSCZKNCLHV-INIZCTEOSA-N 0 0 354.258 4.699 10 0 FJAERN CCc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 ZINC000002487913 204041068 /nfs/dbraw/zinc/04/10/68/204041068.db2.gz JQHCYJPUCKKESP-IRXDYDNUSA-N 0 0 356.832 4.779 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1Br ZINC000001940256 204022733 /nfs/dbraw/zinc/02/27/33/204022733.db2.gz BDTNRCIWEUYSPX-SOFGYWHQSA-N 0 0 366.642 4.763 10 0 FJAERN O=C(Nc1c(F)cc(Br)cc1F)C(Cl)=C(Cl)Cl ZINC000002158255 204027416 /nfs/dbraw/zinc/02/74/16/204027416.db2.gz JUKJEQIMAWNJCV-UHFFFAOYSA-N 0 0 365.388 4.551 10 0 FJAERN O=C(NC(Cl)=C(Cl)Cl)O[C@H](Cc1ccccc1)C(F)(F)F ZINC000002556059 204043613 /nfs/dbraw/zinc/04/36/13/204043613.db2.gz IWSFGMPNYCEEAS-MRVPVSSYSA-N 0 0 362.562 4.729 10 0 FJAERN Cc1csc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)cn12 ZINC000004249070 204128529 /nfs/dbraw/zinc/12/85/29/204128529.db2.gz HXGWWQPTBHASKE-UHFFFAOYSA-N 0 0 351.406 4.763 10 0 aggregator FJAERN O=C(C[C@@H](c1ccccc1)[C@@H]1CCc2ccccc2C1=O)c1ccccn1 ZINC000005489213 204210787 /nfs/dbraw/zinc/21/07/87/204210787.db2.gz AUCWBMPPVVGVAX-SFTDATJTSA-N 0 0 355.437 4.884 10 0 FJAERN CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccccc3C)c12 ZINC000004888801 204173053 /nfs/dbraw/zinc/17/30/53/204173053.db2.gz 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/nfs/dbraw/zinc/27/81/00/204278100.db2.gz CCOFKDHEASJRCI-LJQANCHMSA-N 0 0 370.880 4.658 10 0 FJAERN Cc1cccc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c1C ZINC000008619089 204337981 /nfs/dbraw/zinc/33/79/81/204337981.db2.gz PYQRQEBYNVXBNK-QFIPXVFZSA-N 0 0 370.452 4.639 10 0 FJAERN CCN(C(=O)Cn1c2ccccc2nc1-c1ccc(F)cc1)c1ccccc1 ZINC000008787327 204346241 /nfs/dbraw/zinc/34/62/41/204346241.db2.gz OULLZNJJVILREW-UHFFFAOYSA-N 0 0 373.431 4.896 10 0 FJAERN O=C(CCCSc1ccccc1)Nc1cccc(Br)c1 ZINC000009473366 204369425 /nfs/dbraw/zinc/36/94/25/204369425.db2.gz KTUUZFYCNCVWOP-UHFFFAOYSA-N 0 0 350.281 4.960 10 0 FJAERN Cc1cccc(-n2ncc3c2nc(S[C@@H](C)c2ccccc2)[nH]c3=O)c1 ZINC000009522491 204372297 /nfs/dbraw/zinc/37/22/97/204372297.db2.gz WRMJOZCPDFSXCG-AWEZNQCLSA-N 0 0 362.458 4.683 10 0 FJAERN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000009758136 204381789 /nfs/dbraw/zinc/38/17/89/204381789.db2.gz MUVMSERCSXHIJA-ZFWWWQNUSA-N 0 0 360.807 4.775 10 0 FJAERN CCCCCOc1ccccc1C(=O)Nc1ccc(OCCOCC)cc1 ZINC000009878850 204384823 /nfs/dbraw/zinc/38/48/23/204384823.db2.gz IPURGKGJBRGDKH-UHFFFAOYSA-N 0 0 371.477 4.923 10 0 FJAERN CCCCCOc1ccc(C(=O)Oc2cccc(C(=O)OCC)c2)cc1 ZINC000009880820 204385361 /nfs/dbraw/zinc/38/53/61/204385361.db2.gz JEDYGBPFCRGOCV-UHFFFAOYSA-N 0 0 356.418 4.652 10 0 FJAERN CCOc1cccc2sc(NC(=O)Cc3ccc(C(C)C)cc3)nc21 ZINC000010096037 204390264 /nfs/dbraw/zinc/39/02/64/204390264.db2.gz YWSWQUSOXTVSOE-UHFFFAOYSA-N 0 0 354.475 5.000 10 0 FJAERN CCCCCOc1ccc(C(=O)Nc2cccc(OCCOCC)c2)cc1 ZINC000010325863 204394509 /nfs/dbraw/zinc/39/45/09/204394509.db2.gz MZYIWZZYADHCNC-UHFFFAOYSA-N 0 0 371.477 4.923 10 0 FJAERN C[C@@H](NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)c1ccc(Cl)cc1 ZINC000059349815 212016981 /nfs/dbraw/zinc/01/69/81/212016981.db2.gz PYRYEIHPPCOTRW-CYBMUJFWSA-N 0 0 373.884 4.751 10 0 FJAERN Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc2c1C ZINC000012487568 204468277 /nfs/dbraw/zinc/46/82/77/204468277.db2.gz DEICXTRHRKYNGB-FQEVSTJZSA-N 0 0 358.445 4.638 10 0 FJAERN Cc1cccc(N2C(=N)S/C(=C\c3cccc(Br)c3)C2=O)c1 ZINC000015053119 204599728 /nfs/dbraw/zinc/59/97/28/204599728.db2.gz LJOIHGQQPCTAMY-QFULKBQASA-N 0 0 373.275 4.813 10 0 FJAERN CNC(=O)c1ccc(Cl)c(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038002873 204770967 /nfs/dbraw/zinc/77/09/67/204770967.db2.gz FXLLENODRUYEAK-QMMMGPOBSA-N 0 0 373.703 4.697 10 0 FJAERN COc1ccc(C(=O)Nc2cc(C)nc3ccc(Br)cc32)cc1 ZINC000032605705 204932077 /nfs/dbraw/zinc/93/20/77/204932077.db2.gz WSBACFHVIXQHCH-UHFFFAOYSA-N 0 0 371.234 4.567 10 0 FJAERN O=C(C1CC1)N1Cc2ccccc2-n2cccc2[C@@H]1c1cc(F)cc(F)c1 ZINC000033115607 204958408 /nfs/dbraw/zinc/95/84/08/204958408.db2.gz KGQDZCPHRCQAAB-NRFANRHFSA-N 0 0 364.395 4.597 10 0 FJAERN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccsc2n1Cc1cccc(F)c1 ZINC000035843873 204997825 /nfs/dbraw/zinc/99/78/25/204997825.db2.gz WFHGZGILZWRAKX-JOQOYGCGSA-N 0 0 368.477 4.809 10 0 FJAERN FC(F)(F)c1cc(Cl)c2cc(I)ccc2n1 ZINC000036379960 205013921 /nfs/dbraw/zinc/01/39/21/205013921.db2.gz FWWIGMZXSVMVEZ-UHFFFAOYSA-N 0 0 357.500 4.512 10 0 FJAERN Cc1cccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2C)c1 ZINC000036248550 205008979 /nfs/dbraw/zinc/00/89/79/205008979.db2.gz VUEMLXFIERBOTR-UHFFFAOYSA-N 0 0 369.461 4.838 10 0 FJAERN O=C(NC1CCCCC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000035503289 204992741 /nfs/dbraw/zinc/99/27/41/204992741.db2.gz MTBDAHVCFSWBRQ-UHFFFAOYSA-N 0 0 353.397 4.773 10 0 FJAERN O=C(Nc1cc(Cl)ccc1C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000038422687 205039676 /nfs/dbraw/zinc/03/96/76/205039676.db2.gz MDWDYSDAWDMHBL-UHFFFAOYSA-N 0 0 353.780 4.962 10 0 FJAERN COc1ccc(Cc2sc(NC(=O)c3ccc(C)cc3)nc2C)cc1 ZINC000036639967 205019518 /nfs/dbraw/zinc/01/95/18/205019518.db2.gz HFIXXSMEHSIKBP-UHFFFAOYSA-N 0 0 352.459 4.612 10 0 FJAERN Cc1nc(NC(=O)Cc2ccccc2)sc1Cc1ccc(Cl)cc1 ZINC000036639408 205019650 /nfs/dbraw/zinc/01/96/50/205019650.db2.gz ZOKUIOQFJHVYCF-UHFFFAOYSA-N 0 0 356.878 4.877 10 0 FJAERN CCC(=O)Nc1nc(C)c(Cc2ccc(Br)c(Cl)c2)s1 ZINC000036639183 205020175 /nfs/dbraw/zinc/02/01/75/205020175.db2.gz DCTNBCIHHWGCDB-UHFFFAOYSA-N 0 0 373.703 4.807 10 0 FJAERN Fc1ccc(OCc2sccc2Br)c(Br)c1 ZINC000071108901 205025521 /nfs/dbraw/zinc/02/55/21/205025521.db2.gz SYCIMYQNCLDLLN-UHFFFAOYSA-N 0 0 366.049 4.991 10 0 FJAERN FC(F)(F)c1nc2ccccc2n1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000073636119 205032525 /nfs/dbraw/zinc/03/25/25/205032525.db2.gz QAZSTMFYIISVFE-UHFFFAOYSA-N 0 0 350.731 4.633 10 0 FJAERN CCOC(=O)c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000073638334 205032572 /nfs/dbraw/zinc/03/25/72/205032572.db2.gz BJPZYOWPDJAWPW-UHFFFAOYSA-N 0 0 374.028 4.648 10 0 FJAERN Clc1snnc1COc1ccc2ccccc2c1Br ZINC000037977834 205036677 /nfs/dbraw/zinc/03/66/77/205036677.db2.gz GZJAGKDGLUXRHG-UHFFFAOYSA-N 0 0 355.644 4.686 10 0 FJAERN COc1cccc2c(C)cc(SCC(=O)Nc3cccc(Cl)c3)nc12 ZINC000040167397 205062161 /nfs/dbraw/zinc/06/21/61/205062161.db2.gz IGLNCNWILRIXHH-UHFFFAOYSA-N 0 0 372.877 4.936 10 0 FJAERN CC(C)c1ccc(OCCCn2c(CCCO)nc3ccccc32)cc1 ZINC000040225359 205062610 /nfs/dbraw/zinc/06/26/10/205062610.db2.gz AXTIKILETSPDKL-UHFFFAOYSA-N 0 0 352.478 4.554 10 0 FJAERN COc1ccc(Cn2c(COc3cccc(C)c3)nc3ccccc32)cc1 ZINC000040234034 205062897 /nfs/dbraw/zinc/06/28/97/205062897.db2.gz UGCCNAPRGJQWND-UHFFFAOYSA-N 0 0 358.441 4.981 10 0 FJAERN CCN(C(=O)Cn1c2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000040239415 205063963 /nfs/dbraw/zinc/06/39/63/205063963.db2.gz ISZNHHCVWHRRHX-UHFFFAOYSA-N 0 0 355.441 4.756 10 0 FJAERN O=C(Cn1c2ccccc2nc1-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000040249507 205064706 /nfs/dbraw/zinc/06/47/06/205064706.db2.gz QLYJWCSCFFWZGZ-UHFFFAOYSA-N 0 0 367.880 4.759 10 0 FJAERN COc1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2C)cc1 ZINC000040307134 205067067 /nfs/dbraw/zinc/06/70/67/205067067.db2.gz RZZZSCYUIDVDDM-UHFFFAOYSA-N 0 0 371.440 4.659 10 0 FJAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1F ZINC000040306582 205067164 /nfs/dbraw/zinc/06/71/64/205067164.db2.gz STEKOTONSDKVJD-UHFFFAOYSA-N 0 0 359.404 4.790 10 0 FJAERN COCCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040402891 205068947 /nfs/dbraw/zinc/06/89/47/205068947.db2.gz PWMXSWZAMORBHE-UHFFFAOYSA-N 0 0 365.260 4.959 10 0 FJAERN CCCC[NH+](CCCC)CCCn1c2ccc(C(=O)[O-])cc2nc1CC ZINC000040406358 205069451 /nfs/dbraw/zinc/06/94/51/205069451.db2.gz LPAZDVNPRHFBBF-UHFFFAOYSA-N 0 0 359.514 4.589 10 0 FJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1NC1CCCCCC1 ZINC000040799918 205080988 /nfs/dbraw/zinc/08/09/88/205080988.db2.gz RGYVNXPLRXUDQP-UHFFFAOYSA-N 0 0 365.403 4.956 10 0 FJAERN Cc1ccc(Nc2ncnc(Sc3cccc4cccnc43)c2N)cc1 ZINC000040782128 205081312 /nfs/dbraw/zinc/08/13/12/205081312.db2.gz BSHUTIWSGKCSRH-UHFFFAOYSA-N 0 0 359.458 4.810 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040782452 205081569 /nfs/dbraw/zinc/08/15/69/205081569.db2.gz VKKYXYQOMIHGGX-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1cc(F)ccc1F ZINC000040797658 205081665 /nfs/dbraw/zinc/08/16/65/205081665.db2.gz TZLBKBRSZQCNRP-UHFFFAOYSA-N 0 0 365.746 4.617 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(C(F)(F)F)cc1 ZINC000040782512 205081912 /nfs/dbraw/zinc/08/19/12/205081912.db2.gz DXUOKIIJBMFJPK-UHFFFAOYSA-N 0 0 363.318 4.704 10 0 FJAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1ccccc1Cl ZINC000040781334 205082025 /nfs/dbraw/zinc/08/20/25/205082025.db2.gz HEHOAWPXSRCFEL-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Cc1ccc2c(cccc2Nc2ncnc(Nc3ccc(F)cc3)c2N)n1 ZINC000040782543 205082305 /nfs/dbraw/zinc/08/23/05/205082305.db2.gz GVBSGTMDOXGAOF-UHFFFAOYSA-N 0 0 360.396 4.542 10 0 FJAERN CCOc1ccccc1C(=O)Nc1nc(-c2ccccc2OCC)cs1 ZINC000040926156 205084929 /nfs/dbraw/zinc/08/49/29/205084929.db2.gz MRCJONLGHIPPMH-UHFFFAOYSA-N 0 0 368.458 4.860 10 0 FJAERN COC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1-c1ccc(F)cc1 ZINC000040939202 205085157 /nfs/dbraw/zinc/08/51/57/205085157.db2.gz ALZYHDYVKATQQF-UHFFFAOYSA-N 0 0 369.417 4.902 10 0 FJAERN Cc1cc(C)c(CSc2nnc(-c3ccccc3Cl)n2N)cc1C ZINC000040925022 205085544 /nfs/dbraw/zinc/08/55/44/205085544.db2.gz LOUXRYFKSUGADQ-UHFFFAOYSA-N 0 0 358.898 4.530 10 0 FJAERN CCc1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000040942416 205085622 /nfs/dbraw/zinc/08/56/22/205085622.db2.gz HPPKTXCOTDRIDH-UHFFFAOYSA-N 0 0 362.267 4.646 10 0 FJAERN CCCOC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000041012955 205087411 /nfs/dbraw/zinc/08/74/11/205087411.db2.gz HWWLTFSZHCUINZ-UHFFFAOYSA-N 0 0 355.257 4.840 10 0 FJAERN CCCCOc1ccc(-c2cn3c(C)c(C(=O)OCC)sc3n2)cc1 ZINC000041005692 205087599 /nfs/dbraw/zinc/08/75/99/205087599.db2.gz XTEMWOIQXSRHSR-UHFFFAOYSA-N 0 0 358.463 4.727 10 0 FJAERN CCc1ccc(Nc2ncnc(Nc3cccc4cccnc43)c2N)cc1 ZINC000040688463 205075400 /nfs/dbraw/zinc/07/54/00/205075400.db2.gz RZLVXXGPPVARLU-UHFFFAOYSA-N 0 0 356.433 4.657 10 0 FJAERN Nc1c(Nc2ccccc2C(F)(F)F)ncnc1N1CCc2ccccc21 ZINC000040687263 205075622 /nfs/dbraw/zinc/07/56/22/205075622.db2.gz FZRPCLCZUSXPIW-UHFFFAOYSA-N 0 0 371.366 4.515 10 0 FJAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040679747 205076228 /nfs/dbraw/zinc/07/62/28/205076228.db2.gz GTKJAKSZDMLZSW-UHFFFAOYSA-N 0 0 357.820 4.753 10 0 FJAERN Nc1c(Sc2ccc(Cl)cc2)ncnc1N1CCc2ccccc21 ZINC000040687284 205076327 /nfs/dbraw/zinc/07/63/27/205076327.db2.gz QLLDEUFQRYCZDU-UHFFFAOYSA-N 0 0 354.866 4.558 10 0 FJAERN CCN(c1ccccc1)c1ncnc(Nc2cc(Cl)ccc2C)c1N ZINC000040679440 205076449 /nfs/dbraw/zinc/07/64/49/205076449.db2.gz QFPQAEZJMYADRE-UHFFFAOYSA-N 0 0 353.857 4.922 10 0 FJAERN CC(C)c1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 ZINC000040706132 205077124 /nfs/dbraw/zinc/07/71/24/205077124.db2.gz NYHIJJNJFDQHNW-UHFFFAOYSA-N 0 0 354.845 4.718 10 0 FJAERN Cc1ccccc1Nc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701788 205077776 /nfs/dbraw/zinc/07/77/76/205077776.db2.gz FGJVIYKWOIOKAE-UHFFFAOYSA-N 0 0 359.355 4.873 10 0 FJAERN Nc1c(NCc2ccccc2)ncnc1Nc1cc(Cl)cc(Cl)c1 ZINC000040700866 205077923 /nfs/dbraw/zinc/07/79/23/205077923.db2.gz JOEOHEMWSUHBCP-UHFFFAOYSA-N 0 0 360.248 4.721 10 0 FJAERN Nc1c(Nc2ccccc2C(F)(F)F)ncnc1NC1CCCCC1 ZINC000040701705 205077943 /nfs/dbraw/zinc/07/79/43/205077943.db2.gz LUKLCONNQPCVHM-UHFFFAOYSA-N 0 0 351.376 4.566 10 0 FJAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cccc(C(F)(F)F)c32)CC1 ZINC000044136764 205106473 /nfs/dbraw/zinc/10/64/73/205106473.db2.gz JZUDXLBHPRZPBN-UHFFFAOYSA-N 0 0 369.383 4.561 10 0 FJAERN O[C@@H](Cc1ccc(F)c(Br)c1)c1cccc(Br)c1 ZINC000049598474 205173829 /nfs/dbraw/zinc/17/38/29/205173829.db2.gz WPARIGLVSVMPDM-AWEZNQCLSA-N 0 0 374.047 4.627 10 0 FJAERN C[C@@H](CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000057444977 205240364 /nfs/dbraw/zinc/24/03/64/205240364.db2.gz CJSUUGOFRPRVKR-IFXJQAMLSA-N 0 0 351.425 4.559 10 0 FJAERN Oc1ccccc1C1=N[C@H](c2cccs2)N[C@@H](c2ccc(F)cc2)C1 ZINC000058015101 205246771 /nfs/dbraw/zinc/24/67/71/205246771.db2.gz KRBNFUVRHRDULX-OXQOHEQNSA-N 0 0 352.434 4.815 10 0 FJAERN Cc1cc(OCC(=O)Nc2nc3c(cccc3F)s2)ccc1C(C)C ZINC000065004887 205314351 /nfs/dbraw/zinc/31/43/51/205314351.db2.gz NHFQMSYHOFRTCU-UHFFFAOYSA-N 0 0 358.438 4.885 10 0 FJAERN CCOc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1OCC ZINC000065753999 205361330 /nfs/dbraw/zinc/36/13/30/205361330.db2.gz 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O=C(c1ccccc1Cl)N1c2ccccc2S(=O)c2ccccc21 ZINC000072470902 136148979 /nfs/dbraw/zinc/14/89/79/136148979.db2.gz CFKGARDWAVGPCW-UHFFFAOYSA-N 0 0 353.830 4.799 10 0 FJAERN CC[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2O1 ZINC000008588442 136151931 /nfs/dbraw/zinc/15/19/31/136151931.db2.gz QQVCNDRZZSIIKK-GFCCVEGCSA-N 0 0 350.340 4.915 10 0 FJAERN Cc1ccccc1Nc1nc2nccc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 ZINC000072440608 221531587 /nfs/dbraw/zinc/53/15/87/221531587.db2.gz AKDCRXIPEDTXAD-UHFFFAOYSA-N 0 0 362.820 4.691 10 0 FJAERN COc1ccc(C=C2SC(=S)NC2=O)cc1COc1ccccc1 ZINC000096438153 222119952 /nfs/dbraw/zinc/11/99/52/222119952.db2.gz USKOSYABOFENBX-YBEGLDIGSA-N 0 0 357.456 4.603 10 0 FJAERN O=C1c2ccccc2[C@@H](CCc2ccccc2)C(=O)N1OCc1ccccc1 ZINC000098181248 222230636 /nfs/dbraw/zinc/23/06/36/222230636.db2.gz VCSFLEYSJVECHV-JOCHJYFZSA-N 0 0 371.436 4.517 10 0 FJAERN CC1=C[C@H](C)n2nc(NCc3ccccc3)c(NC(=O)c3ccccc3)c2N1 ZINC000100753498 222251506 /nfs/dbraw/zinc/25/15/06/222251506.db2.gz MUPYGYIIZQBRRA-INIZCTEOSA-N 0 0 373.460 4.638 10 0 FJAERN C[C@@H]1CCC(=O)[C@H]([C@H](CC(=O)c2ccccc2)c2ccc3c(c2)OCO3)C1 ZINC000102003745 222287819 /nfs/dbraw/zinc/28/78/19/222287819.db2.gz QDCYTMXABOGCOO-LZQZEXGQSA-N 0 0 364.441 4.777 10 0 FJAERN Cc1cc(Nc2ccc(N)cc2Br)ccc1Br ZINC000103947651 222346906 /nfs/dbraw/zinc/34/69/06/222346906.db2.gz QSUSZFOBNGICRA-UHFFFAOYSA-N 0 0 356.061 4.846 10 0 FJAERN CC[C@@H](C)c1ccc([C@@H](O)c2ccccc2I)cc1 ZINC000104046197 222348404 /nfs/dbraw/zinc/34/84/04/222348404.db2.gz GLBYCFFFSDFWAK-SJKOYZFVSA-N 0 0 366.242 4.886 10 0 FJAERN Cc1ccc([C@@H](O)c2cc(Br)ccc2Br)cc1C ZINC000104031126 222348442 /nfs/dbraw/zinc/34/84/42/222348442.db2.gz KNUYIRWVSBIYFO-OAHLLOKOSA-N 0 0 370.084 4.910 10 0 FJAERN Fc1ccc(COc2ccccc2Br)cc1Br ZINC000103991086 222348512 /nfs/dbraw/zinc/34/85/12/222348512.db2.gz RWTGMMQCGWOZJG-UHFFFAOYSA-N 0 0 360.020 4.930 10 0 FJAERN CCCCc1ccc([C@@H](O)c2ccccc2I)cc1 ZINC000104029394 222348921 /nfs/dbraw/zinc/34/89/21/222348921.db2.gz UWSRZPAAKAOKEF-QGZVFWFLSA-N 0 0 366.242 4.716 10 0 FJAERN Ic1ccc(NC[C@@H]2CCCc3ccccc32)cc1 ZINC000104316253 222354951 /nfs/dbraw/zinc/35/49/51/222354951.db2.gz PIRJGOLQJJINLB-AWEZNQCLSA-N 0 0 363.242 4.823 10 0 FJAERN Cc1nc(-c2ccc(CC(=O)N[C@@H]3CCCc4ccccc43)cc2)cs1 ZINC000105968432 222379364 /nfs/dbraw/zinc/37/93/64/222379364.db2.gz AQRPKDRRBNBJDG-HXUWFJFHSA-N 0 0 362.498 4.855 10 0 FJAERN O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1-c1ccccc1 ZINC000105988455 222380509 /nfs/dbraw/zinc/38/05/09/222380509.db2.gz IHALDSKMDUNWKL-UHFFFAOYSA-N 0 0 358.397 4.563 10 0 FJAERN COc1ccc(Cn2ncc3cc(Sc4ccc(F)cc4)ncc32)cc1 ZINC000141352951 222547671 /nfs/dbraw/zinc/54/76/71/222547671.db2.gz QFTIXBRTNQAQBB-UHFFFAOYSA-N 0 0 365.433 4.779 10 0 FJAERN O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1ccccc1Cl ZINC000028541186 263390313 /nfs/dbraw/zinc/39/03/13/263390313.db2.gz PQKHUYQTRSZREB-INIZCTEOSA-N 0 0 372.833 4.561 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CSCc2ccc(Cl)nc2)C1 ZINC000085332932 518804629 /nfs/dbraw/zinc/80/46/29/518804629.db2.gz PSYFTCBXFATBKX-CQSZACIVSA-N 0 0 356.919 4.615 10 0 FJAERN COc1ccc(-c2nc(CN(C)Cc3sccc3C)c(C)o2)c(OC)c1 ZINC000019839026 523200617 /nfs/dbraw/zinc/20/06/17/523200617.db2.gz XFBQISHTRAASDI-UHFFFAOYSA-N 0 0 372.490 4.669 10 0 FJAERN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)NC1CCCCC1 ZINC000020540770 526292500 /nfs/dbraw/zinc/29/25/00/526292500.db2.gz RSXJXPRKNTWMGA-UHFFFAOYSA-N 0 0 360.889 4.656 10 0 FJAERN S=C(Nc1ccccc1Cl)N(Cc1ccco1)Cc1ccccn1 ZINC000020508151 526385024 /nfs/dbraw/zinc/38/50/24/526385024.db2.gz TVWZQXMRRZVZIP-UHFFFAOYSA-N 0 0 357.866 4.727 10 0 FJAERN COc1ccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)cc1 ZINC000226331300 536775639 /nfs/dbraw/zinc/77/56/39/536775639.db2.gz ZMAAOGUCPDFIAX-HOTGVXAUSA-N 0 0 367.493 4.605 10 0 FJAERN COc1ccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@@H]3C)c(C)cc2N)cc1 ZINC000226331307 536775972 /nfs/dbraw/zinc/77/59/72/536775972.db2.gz ZMAAOGUCPDFIAX-IYBDPMFKSA-N 0 0 367.493 4.605 10 0 FJAERN COc1ccccc1C(=O)Nc1cc(N2[C@H](C)CCC[C@H]2C)c(C)cc1N ZINC000226331609 537000571 /nfs/dbraw/zinc/00/05/71/537000571.db2.gz KGFFUIZBXVHVQJ-HZPDHXFCSA-N 0 0 367.493 4.605 10 0 FJAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCCc2nc(C(C)(C)C)no2)o1 ZINC000128557312 567980923 /nfs/dbraw/zinc/98/09/23/567980923.db2.gz ORUUPFNCDGFSOY-INIZCTEOSA-N 0 0 373.497 4.599 10 0 FJAERN C[C@@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(F)cc1Cl ZINC000188598997 567981858 /nfs/dbraw/zinc/98/18/58/567981858.db2.gz MQSUKUQOCPSBGC-CYBMUJFWSA-N 0 0 370.859 4.781 10 0 FJAERN Cc1cc(C)c([C@@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1C ZINC000188606982 567987368 /nfs/dbraw/zinc/98/73/68/567987368.db2.gz PIZPBAMJXWUENX-GOSISDBHSA-N 0 0 360.505 4.913 10 0 FJAERN CC[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc(F)ccc1F ZINC000188607823 567987574 /nfs/dbraw/zinc/98/75/74/567987574.db2.gz OBOXHMUPRLDURR-IBGZPJMESA-N 0 0 368.431 4.657 10 0 FJAERN C[C@H](N[C@@H](C)c1ncc(Br)cc1F)c1ccc(F)c(F)c1 ZINC000186906099 568001822 /nfs/dbraw/zinc/00/18/22/568001822.db2.gz KZWAMCQXSHOQCS-IUCAKERBSA-N 0 0 359.189 4.673 10 0 FJAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ncc(Br)cc1F ZINC000186906130 568002002 /nfs/dbraw/zinc/00/20/02/568002002.db2.gz KZWAMCQXSHOQCS-DTWKUNHWSA-N 0 0 359.189 4.673 10 0 FJAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc3ccccc3c2)cs1 ZINC000187011760 568044757 /nfs/dbraw/zinc/04/47/57/568044757.db2.gz IKSMJQWJHIEERK-IBGZPJMESA-N 0 0 351.475 4.651 10 0 FJAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159303105 568123788 /nfs/dbraw/zinc/12/37/88/568123788.db2.gz SDDLBXRFGGXLSM-DGCLKSJQSA-N 0 0 358.791 4.601 10 0 FJAERN O=C(OCc1nccn1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001039379 570474003 /nfs/dbraw/zinc/47/40/03/570474003.db2.gz FVPNWOBSJQXXKN-UHFFFAOYSA-N 0 0 361.228 4.595 10 0 FJAERN Cc1nc2ccc(C)cc2n1C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034915368 570563019 /nfs/dbraw/zinc/56/30/19/570563019.db2.gz IOZKYRFTGFWVSO-UHFFFAOYSA-N 0 0 367.880 4.784 10 0 FJAERN Cc1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O ZINC000006216392 570643687 /nfs/dbraw/zinc/64/36/87/570643687.db2.gz KVAOYBORLDIBNN-UHFFFAOYSA-N 0 0 373.252 4.833 10 0 FJAERN Fc1ccccc1-c1nnc([C@@H]2CCCCN2Cc2ccc(Cl)nc2)o1 ZINC000583621409 570810930 /nfs/dbraw/zinc/81/09/30/570810930.db2.gz FSZZMLWSOMRSEQ-INIZCTEOSA-N 0 0 372.831 4.651 10 0 FJAERN CC(C)[NH+](CC[C@@H](c1ccccc1)c1cc(C(=O)[O-])ccc1O)C(C)C ZINC000022054144 570938254 /nfs/dbraw/zinc/93/82/54/570938254.db2.gz NKTNTJFTBRPQIZ-IBGZPJMESA-N 0 0 355.478 4.731 10 0 in-vitro FJAERN Nc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1Br ZINC000040296106 571150345 /nfs/dbraw/zinc/15/03/45/571150345.db2.gz FIPGEMVBIVAXGB-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN CC(C)(C)OC(=O)Nc1c(F)ccc(Br)c1C(F)(F)F ZINC000669371715 571173849 /nfs/dbraw/zinc/17/38/49/571173849.db2.gz SPAZOJQUXJDVMI-UHFFFAOYSA-N 0 0 358.129 4.954 10 0 FJAERN Cc1cc(C)cc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 ZINC000224291387 571198642 /nfs/dbraw/zinc/19/86/42/571198642.db2.gz WRVBZYHODUXFAF-UHFFFAOYSA-N 0 0 352.369 4.669 10 0 FJAERN CCOC(=O)c1sc2nc(-c3ccccc3)c(NC(C)(C)C)n2c1C ZINC000085347927 571233365 /nfs/dbraw/zinc/23/33/65/571233365.db2.gz GCLKBXJRADXINA-UHFFFAOYSA-N 0 0 357.479 4.758 10 0 FJAERN COc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1 ZINC000226286778 571276393 /nfs/dbraw/zinc/27/63/93/571276393.db2.gz FFIQLHTYDRNSIN-UHFFFAOYSA-N 0 0 356.381 4.664 10 0 FJAERN Cc1ccccc1C1=N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000027645194 571319354 /nfs/dbraw/zinc/31/93/54/571319354.db2.gz CCRLICDWGNNOBX-PXLXIMEGSA-N 0 0 369.420 4.919 10 0 FJAERN COc1ccc(Cl)cc1[C@@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000000538646 210250396 /nfs/dbraw/zinc/25/03/96/210250396.db2.gz ULYONBAOIMCNEH-OAHLLOKOSA-N 0 0 359.706 4.533 10 0 in-man FJAERN CCc1ccc(N2N=C(c3ccccc3)NN2c2ccc(CC)cc2)cc1 ZINC000098045317 210244150 /nfs/dbraw/zinc/24/41/50/210244150.db2.gz SLVDKJUTEJPOKG-UHFFFAOYSA-N 0 0 356.473 4.919 10 0 FJAERN CC(C)=CCN1Cc2cc(C(F)(F)F)cc3[nH]c(=S)n(c32)C[C@@H]1C ZINC000013474555 210234520 /nfs/dbraw/zinc/23/45/20/210234520.db2.gz IOGYPSYQXAJPDC-NSHDSACASA-N 0 0 355.429 4.888 10 0 FJAERN Fc1cccc(Nc2nc(Cl)c3c(n2)CCN(Cc2ccccc2)C3)c1 ZINC000057343687 210209538 /nfs/dbraw/zinc/20/95/38/210209538.db2.gz YDWDXBSSSLAFLV-UHFFFAOYSA-N 0 0 368.843 4.571 10 0 FJAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(Br)c(C)c3)n2)c1 ZINC000057341472 210209321 /nfs/dbraw/zinc/20/93/21/210209321.db2.gz OGGQXHWRTPVQMB-UHFFFAOYSA-N 0 0 370.250 4.560 10 0 FJAERN CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000226271034 210178250 /nfs/dbraw/zinc/17/82/50/210178250.db2.gz RGGGERWASTZZLL-UHFFFAOYSA-N 0 0 354.715 4.673 10 0 FJAERN Cc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2C)cc1 ZINC000226287909 210177933 /nfs/dbraw/zinc/17/79/33/210177933.db2.gz DTARRZUWWSTMKH-UHFFFAOYSA-N 0 0 356.425 4.716 10 0 FJAERN CN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000226281159 210177039 /nfs/dbraw/zinc/17/70/39/210177039.db2.gz ZLWZQCNLCYCNAC-UHFFFAOYSA-N 0 0 354.715 4.673 10 0 FJAERN CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000226270336 210177082 /nfs/dbraw/zinc/17/70/82/210177082.db2.gz PKPSEQPWEVFRCH-UHFFFAOYSA-N 0 0 354.715 4.673 10 0 FJAERN Cc1cccc(C)c1OCc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000008603539 210097927 /nfs/dbraw/zinc/09/79/27/210097927.db2.gz BHVQTXXXJRJAJQ-UHFFFAOYSA-N 0 0 362.454 4.619 10 0 FJAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000006215921 210086950 /nfs/dbraw/zinc/08/69/50/210086950.db2.gz HITIHRSWZOKTCG-FPYGCLRLSA-N 0 0 352.217 4.663 10 0 FJAERN CCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000003108670 210079178 /nfs/dbraw/zinc/07/91/78/210079178.db2.gz GDYAMWIJKZIERX-UHFFFAOYSA-N 0 0 356.219 4.841 10 0 FJAERN Cc1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C ZINC000041076959 210043881 /nfs/dbraw/zinc/04/38/81/210043881.db2.gz TYHGUWMTWUEAMX-UHFFFAOYSA-N 0 0 363.461 4.527 10 0 FJAERN Cc1nc(C(C)C)nc(/C=C\c2ccccc2)c1I ZINC000301054629 210042655 /nfs/dbraw/zinc/04/26/55/210042655.db2.gz DHSFWAMZEKEQCU-KTKRTIGZSA-N 0 0 364.230 4.683 10 0 FJAERN CN(C)c1ccc(N)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000226324486 222884536 /nfs/dbraw/zinc/88/45/36/222884536.db2.gz LDOPNFPFAVKQEZ-UHFFFAOYSA-N 0 0 358.656 4.547 10 0 FJAERN NN=c1[nH]c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 ZINC000226309242 222884633 /nfs/dbraw/zinc/88/46/33/222884633.db2.gz ZIYOLUPAFKCDPX-UHFFFAOYSA-N 0 0 360.442 4.501 10 0 FJAERN Nc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Br ZINC000040297369 203779815 /nfs/dbraw/zinc/77/98/15/203779815.db2.gz DJKIYSDNXXHUEY-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN Clc1ccc(CNc2cc3c(cc2Br)OCCO3)s1 ZINC000035045894 204015046 /nfs/dbraw/zinc/01/50/46/204015046.db2.gz JHDHSVZFGKPUDF-UHFFFAOYSA-N 0 0 360.660 4.547 10 0 FJAERN Cc1ccc(Sc2ncc(C(=O)OCC3CC3)c(C(F)(F)F)n2)cc1 ZINC000002142867 204027483 /nfs/dbraw/zinc/02/74/83/204027483.db2.gz CSURSZVQRHZJAS-UHFFFAOYSA-N 0 0 368.380 4.522 10 0 FJAERN COc1cc(C=O)cc(Oc2ccc3c(C)cc(=O)oc3c2)c1OC(C)C ZINC000004227228 204128343 /nfs/dbraw/zinc/12/83/43/204128343.db2.gz UELBTJZKCFSIFR-UHFFFAOYSA-N 0 0 368.385 4.502 10 0 FJAERN CCOc1cccc2c1OC1(CCCCC1)N1N=C(c3cccnc3)C[C@H]21 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COC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c(Cl)c1 ZINC000226344816 206121616 /nfs/dbraw/zinc/12/16/16/206121616.db2.gz HIPAVGCLBAQYDY-UHFFFAOYSA-N 0 0 355.608 4.977 10 0 FJAERN COC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000226339887 206122073 /nfs/dbraw/zinc/12/20/73/206122073.db2.gz PZIRDLQFMUSJOS-UHFFFAOYSA-N 0 0 373.605 4.607 10 0 FJAERN Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)o1 ZINC000226338624 206122247 /nfs/dbraw/zinc/12/22/47/206122247.db2.gz BLQPFXJBXZEWAR-XBXARRHUSA-N 0 0 362.216 4.708 10 0 FJAERN COC(=O)c1cc(Cl)c(OCc2cccc3ccccc32)c(OC)c1 ZINC000226325157 206122318 /nfs/dbraw/zinc/12/23/18/206122318.db2.gz BKOHKGUSTWINII-UHFFFAOYSA-N 0 0 356.805 4.867 10 0 FJAERN Cc1cc(N)cc(Cl)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000227145414 206124017 /nfs/dbraw/zinc/12/40/17/206124017.db2.gz FZRLLXFXACZCCR-UHFFFAOYSA-N 0 0 359.640 4.555 10 0 FJAERN COc1c(Cl)cc(Cl)cc1C(=O)n1c(C)c(C=O)c2ccccc21 ZINC000226367434 206124122 /nfs/dbraw/zinc/12/41/22/206124122.db2.gz IRZDDMNVNQKHSV-UHFFFAOYSA-N 0 0 362.212 4.766 10 0 FJAERN Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4c[nH]cn4)cc23)c1F ZINC000150049944 206143553 /nfs/dbraw/zinc/14/35/53/206143553.db2.gz ZLEXCHPRVABAQB-UHFFFAOYSA-N 0 0 363.327 4.553 10 0 FJAERN CC1=C[C@@H](C)n2nc(NCc3ccccc3)c(NC(=O)c3ccccc3)c2N1 ZINC000100753494 206137082 /nfs/dbraw/zinc/13/70/82/206137082.db2.gz MUPYGYIIZQBRRA-MRXNPFEDSA-N 0 0 373.460 4.638 10 0 FJAERN Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CC[C@@H](C)C3 ZINC000005579422 206197247 /nfs/dbraw/zinc/19/72/47/206197247.db2.gz LZJFNLLMKCAHNU-CYBMUJFWSA-N 0 0 355.459 4.667 10 0 FJAERN COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2Cl)c(Cl)c1 ZINC000102913028 206231013 /nfs/dbraw/zinc/23/10/13/206231013.db2.gz DPMGYGYVBXLNSJ-AWEZNQCLSA-N 0 0 361.066 4.813 10 0 FJAERN [NH3+]C[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000103979241 206235921 /nfs/dbraw/zinc/23/59/21/206235921.db2.gz QDPWVJYKUDWMIS-CQSZACIVSA-N 0 0 361.066 4.835 10 0 FJAERN COC(=O)c1sc(-c2cc(Br)ccc2Cl)c(C)c1N ZINC000103942727 206236214 /nfs/dbraw/zinc/23/62/14/206236214.db2.gz LQJQYVJYMGVTJN-UHFFFAOYSA-N 0 0 360.660 4.508 10 0 FJAERN [NH3+]C[C@H](Oc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000103992877 206236350 /nfs/dbraw/zinc/23/63/50/206236350.db2.gz CASXDPFKQOXREG-AWEZNQCLSA-N 0 0 361.066 4.835 10 0 FJAERN O[C@@H](Cc1ccc(Br)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000109712390 206247881 /nfs/dbraw/zinc/24/78/81/206247881.db2.gz VTRFOSZICHCWOF-ZDUSSCGKSA-N 0 0 360.078 4.902 10 0 FJAERN CNc1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351769 211662348 /nfs/dbraw/zinc/66/23/48/211662348.db2.gz VXMXEDWIHDHRKH-UHFFFAOYSA-N 0 0 373.378 4.867 10 0 FJAERN CC(C)(C)CC(=O)N1CCC[C@@H](OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000036315397 211661293 /nfs/dbraw/zinc/66/12/93/211661293.db2.gz LYFGNJKXWDSMJU-MRXNPFEDSA-N 0 0 373.415 4.529 10 0 FJAERN COc1cccc(CN[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000016228009 206317041 /nfs/dbraw/zinc/31/70/41/206317041.db2.gz GPDMMEGQEBYRRA-NRFANRHFSA-N 0 0 371.440 4.624 10 0 FJAERN COc1cc(CNc2ccccc2C(C)C)cc(Br)c1O ZINC000019907181 206327601 /nfs/dbraw/zinc/32/76/01/206327601.db2.gz NKYWCUDVIDXCMJ-UHFFFAOYSA-N 0 0 350.256 4.899 10 0 FJAERN Nc1cc(Br)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000020520936 206333857 /nfs/dbraw/zinc/33/38/57/206333857.db2.gz FAYUDBGPHGFIBR-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN CCOc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 ZINC000032609712 206511601 /nfs/dbraw/zinc/51/16/01/206511601.db2.gz DCMFHGQXTVZWCS-UHFFFAOYSA-N 0 0 363.461 4.508 10 0 FJAERN CNC(=O)c1cc(N[C@H](C)c2ccc(Br)s2)ccc1Cl ZINC000038003450 211342924 /nfs/dbraw/zinc/34/29/24/211342924.db2.gz CCWQTYDBRIDNKB-MRVPVSSYSA-N 0 0 373.703 4.697 10 0 FJAERN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1cc(F)ccc1F ZINC000037983484 211335681 /nfs/dbraw/zinc/33/56/81/211335681.db2.gz OEUKLBSLNNVKGT-MRVPVSSYSA-N 0 0 374.612 4.872 10 0 FJAERN CC[C@H](C(=O)Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1 ZINC000021142456 211310066 /nfs/dbraw/zinc/31/00/66/211310066.db2.gz BZMFZVGPZMUIDP-HNNXBMFYSA-N 0 0 365.458 4.528 10 0 FJAERN Cc1ccc2nc(-c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)oc2c1 ZINC000021127292 211307242 /nfs/dbraw/zinc/30/72/42/211307242.db2.gz MSCRXSAMGPLTBL-UHFFFAOYSA-N 0 0 360.413 4.732 10 0 FJAERN Cc1ccc2nc(-c3ccc(CN4C(=O)c5ccccc5C4=O)cc3)oc2c1 ZINC000021127708 211307334 /nfs/dbraw/zinc/30/73/34/211307334.db2.gz MEAYEGJVOIFCCC-UHFFFAOYSA-N 0 0 368.392 4.599 10 0 FJAERN Cc1cc(Br)c(NCc2cccc(O)c2)c(Br)c1 ZINC000020487157 211284094 /nfs/dbraw/zinc/28/40/94/211284094.db2.gz XRFYDAZXUNXKNX-UHFFFAOYSA-N 0 0 371.072 4.838 10 0 FJAERN Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)s1 ZINC000019642154 211242752 /nfs/dbraw/zinc/24/27/52/211242752.db2.gz SRABPXSEPUDRHZ-CQSZACIVSA-N 0 0 368.424 4.565 10 0 FJAERN Cc1ccc(N2C(=N)S/C(=C\c3ccc(Br)cc3)C2=O)cc1 ZINC000015052994 211115697 /nfs/dbraw/zinc/11/56/97/211115697.db2.gz MADWPIAZKCCSMS-QFULKBQASA-N 0 0 373.275 4.813 10 0 FJAERN Clc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ncc[nH]2)c1 ZINC000015078055 211121398 /nfs/dbraw/zinc/12/13/98/211121398.db2.gz HUGSZSMOTITATO-OAQYLSRUSA-N 0 0 362.864 4.692 10 0 FJAERN CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000014473607 211092954 /nfs/dbraw/zinc/09/29/54/211092954.db2.gz CNPSATDCCYVKMW-UHFFFAOYSA-N 0 0 356.510 4.521 10 0 FJAERN O=C1CCCN1CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013729548 211054538 /nfs/dbraw/zinc/05/45/38/211054538.db2.gz IKWPZUNADYTRPJ-UHFFFAOYSA-N 0 0 364.272 4.722 10 0 FJAERN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)NC2CCCCC2)c(C)c1 ZINC000006426174 210671295 /nfs/dbraw/zinc/67/12/95/210671295.db2.gz CNNHVOBHZWUICZ-OAQYLSRUSA-N 0 0 351.494 4.552 10 0 FJAERN O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCc2ccccc21 ZINC000004972032 210585847 /nfs/dbraw/zinc/58/58/47/210585847.db2.gz FVIFAHGZJKUACK-UHFFFAOYSA-N 0 0 367.404 4.663 10 0 FJAERN CC[C@@H]1CCCCN1C(=O)c1cc2cc3cc(OC)ccc3nc2s1 ZINC000004900420 210576867 /nfs/dbraw/zinc/57/68/67/210576867.db2.gz GMMKFGZOMYKKCF-OAHLLOKOSA-N 0 0 354.475 4.863 10 0 FJAERN CCOC(=O)[C@H]1CON(c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl ZINC000004323104 210522804 /nfs/dbraw/zinc/52/28/04/210522804.db2.gz IOCZHYFDURERPY-GUYCJALGSA-N 0 0 366.244 4.666 10 0 FJAERN ClC1(Br)[C@@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Br ZINC000002243891 210386274 /nfs/dbraw/zinc/38/62/74/210386274.db2.gz SFVAUXRMMFFMJV-RMJMHHOKSA-N 0 0 362.920 4.712 10 0 FJAERN O=C(Nc1ccc(Cl)cc1)Nc1cc(Br)cnc1Cl ZINC000002243816 210386083 /nfs/dbraw/zinc/38/60/83/210386083.db2.gz QCGKNVLTMZSQLB-UHFFFAOYSA-N 0 0 361.026 4.795 10 0 FJAERN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2c(s1)CCCC2 ZINC000001974176 210376808 /nfs/dbraw/zinc/37/68/08/210376808.db2.gz UUEGWUCQCVAJPH-SOFGYWHQSA-N 0 0 353.274 4.981 10 0 FJAERN COc1ccc([C@H](C)Nc2ccc(C)cc2Br)cc1OC ZINC000019901684 220303386 /nfs/dbraw/zinc/30/33/86/220303386.db2.gz CQYSRPFEHPNDIZ-LBPRGKRZSA-N 0 0 350.256 4.948 10 0 FJAERN CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000001945867 210375305 /nfs/dbraw/zinc/37/53/05/210375305.db2.gz YDOHILUERIMXIG-LFYBBSHMSA-N 0 0 368.433 5.000 10 0 FJAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1C ZINC000001918777 210375387 /nfs/dbraw/zinc/37/53/87/210375387.db2.gz NRKHZCCEYRKLOG-DHZHZOJOSA-N 0 0 360.251 4.808 10 0 FJAERN CCOc1ccc(NCc2ccccc2Br)cc1OCC ZINC000019912308 220305155 /nfs/dbraw/zinc/30/51/55/220305155.db2.gz HHKXGSAXJFZBRV-UHFFFAOYSA-N 0 0 350.256 4.859 10 0 FJAERN CC(C)NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000001367666 210345621 /nfs/dbraw/zinc/34/56/21/210345621.db2.gz DMOJPDODIIVMGR-UHFFFAOYSA-N 0 0 371.893 4.567 10 0 FJAERN CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000001052458 210309857 /nfs/dbraw/zinc/30/98/57/210309857.db2.gz ZYMUJBIIBKQIFH-UHFFFAOYSA-N 0 0 372.424 4.702 10 0 FJAERN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000028238521 220567248 /nfs/dbraw/zinc/56/72/48/220567248.db2.gz OQEQRVBEPVJIJF-LBPRGKRZSA-N 0 0 353.388 4.609 10 0 FJAERN O=S(=O)(c1ccc(Cl)cc1)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000059121187 221124021 /nfs/dbraw/zinc/12/40/21/221124021.db2.gz BWBOPERMSRBPCQ-PMACEKPBSA-N 0 0 369.873 4.827 10 0 FJAERN C[C@H](O)c1ccc(N(C)Cc2ccc(Cl)s2)c(Br)c1 ZINC000061696082 221134859 /nfs/dbraw/zinc/13/48/59/221134859.db2.gz SSMLXFOQRYTWNG-VIFPVBQESA-N 0 0 360.704 4.854 10 0 FJAERN Cc1ccccc1Nc1nccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000065148217 221172103 /nfs/dbraw/zinc/17/21/03/221172103.db2.gz UUNUUQDVHFJFCQ-LJQANCHMSA-N 0 0 372.472 4.548 10 0 FJAERN Cn1ncc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21 ZINC000068205237 221314211 /nfs/dbraw/zinc/31/42/11/221314211.db2.gz ZDTAZDOZTNJJNF-UHFFFAOYSA-N 0 0 366.424 4.902 10 0 FJAERN O=Cc1ccc(OCc2ccccc2Br)c(Br)c1 ZINC000070136086 221331223 /nfs/dbraw/zinc/33/12/23/221331223.db2.gz GWULUAMGCLMWSG-UHFFFAOYSA-N 0 0 370.040 4.603 10 0 FJAERN C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Br)c1ccccc1 ZINC000071843725 221381345 /nfs/dbraw/zinc/38/13/45/221381345.db2.gz PAYQIXXOAXBUES-CHWSQXEVSA-N 0 0 364.308 4.807 10 0 FJAERN COc1cc(C)ccc1NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000071998264 221394504 /nfs/dbraw/zinc/39/45/04/221394504.db2.gz IQDGGHAVYXGLBF-GFCCVEGCSA-N 0 0 363.255 4.649 10 0 FJAERN Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1Cl ZINC000226255390 132250264 /nfs/dbraw/zinc/25/02/64/132250264.db2.gz PMMCUKCWPLXEGK-AWEZNQCLSA-N 0 0 357.885 4.862 10 0 FJAERN C[C@H]1CCC[C@H](C)N1c1c(Br)cc(N)cc1Br ZINC000226316507 132250565 /nfs/dbraw/zinc/25/05/65/132250565.db2.gz QYIJMJWQTKKSOL-IUCAKERBSA-N 0 0 362.109 4.561 10 0 FJAERN O=c1cc(N2CCOCC2)oc2c(-c3cc4ccccc4s3)cccc12 ZINC000013677257 132377706 /nfs/dbraw/zinc/37/77/06/132377706.db2.gz UVPQXOBIDAMUCU-UHFFFAOYSA-N 0 0 363.438 4.511 10 0 FJAERN Cc1cc(C)cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]c2=O)c1 ZINC000072450824 221535442 /nfs/dbraw/zinc/53/54/42/221535442.db2.gz UXMHITXSXSIITD-UHFFFAOYSA-N 0 0 352.821 4.564 10 0 FJAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nc2ccccc2s1 ZINC000095075033 221842766 /nfs/dbraw/zinc/84/27/66/221842766.db2.gz PTRXDIUBYSTUHQ-CQSZACIVSA-N 0 0 361.511 4.522 10 0 FJAERN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1nsc2ccccc21 ZINC000095075039 221843192 /nfs/dbraw/zinc/84/31/92/221843192.db2.gz OFSWQKXOKZQSKK-CQSZACIVSA-N 0 0 361.511 4.522 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1nc2ccccc2[nH]1 ZINC000095086267 221847006 /nfs/dbraw/zinc/84/70/06/221847006.db2.gz HHTMLNIKCZXTIS-HNNXBMFYSA-N 0 0 359.470 4.512 10 0 FJAERN Cc1nc(C(F)(F)F)c(C(=O)Oc2ccc(N)c(Cl)c2Cl)s1 ZINC000098180633 222230123 /nfs/dbraw/zinc/23/01/23/222230123.db2.gz OMZWZKWPXCWDIL-UHFFFAOYSA-N 0 0 371.167 4.579 10 0 FJAERN Clc1nc(SCc2ccccc2)nc2nc(Br)sc21 ZINC000098180014 222230849 /nfs/dbraw/zinc/23/08/49/222230849.db2.gz XLRUZCUIVQWNJX-UHFFFAOYSA-N 0 0 372.700 4.795 10 0 FJAERN O[C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1 ZINC000100279914 222240430 /nfs/dbraw/zinc/24/04/30/222240430.db2.gz GCDQWSNREQYTBD-OKILXGFUSA-N 0 0 373.859 4.593 10 0 FJAERN O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000103252206 222328846 /nfs/dbraw/zinc/32/88/46/222328846.db2.gz JDYHGSOGNIBZEM-UHFFFAOYSA-N 0 0 371.889 4.731 10 0 FJAERN O[C@H](Cc1cccc(Br)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000103930804 222346755 /nfs/dbraw/zinc/34/67/55/222346755.db2.gz XESYNPDROXVPAW-CYBMUJFWSA-N 0 0 360.078 4.902 10 0 FJAERN CCCOc1cccc(CNc2ccc(I)cc2)c1 ZINC000104027501 222348655 /nfs/dbraw/zinc/34/86/55/222348655.db2.gz XGQCMGRMMHRBPI-UHFFFAOYSA-N 0 0 367.230 4.692 10 0 FJAERN Ic1ccccc1N[C@H]1CCCc2sccc21 ZINC000104033007 222348858 /nfs/dbraw/zinc/34/88/58/222348858.db2.gz UJKHLIVOZRGERV-LBPRGKRZSA-N 0 0 355.244 4.842 10 0 FJAERN O=Cc1cccc(Br)c1OCc1cccc(Br)c1 ZINC000104186287 222352585 /nfs/dbraw/zinc/35/25/85/222352585.db2.gz ZBTFZSXQSDJTBY-UHFFFAOYSA-N 0 0 370.040 4.603 10 0 FJAERN CCC(=O)Nc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000105835690 222375842 /nfs/dbraw/zinc/37/58/42/222375842.db2.gz ZATDFWNOJGWLMV-UHFFFAOYSA-N 0 0 351.233 4.523 10 0 FJAERN C[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1cccc(Br)c1 ZINC000105847990 222378025 /nfs/dbraw/zinc/37/80/25/222378025.db2.gz UNABNOSCYXDIIK-LBPRGKRZSA-N 0 0 371.234 4.595 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1nc2ccccc2s1 ZINC000085333550 518806913 /nfs/dbraw/zinc/80/69/13/518806913.db2.gz 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ZINC000128578549 568049503 /nfs/dbraw/zinc/04/95/03/568049503.db2.gz XGFZXTVSMJRPEU-AABGKKOBSA-N 0 0 353.462 4.708 10 0 FJAERN CSCC[C@H](NC(=O)c1ccccc1SC)c1nc2ccccc2[nH]1 ZINC000006908398 568109488 /nfs/dbraw/zinc/10/94/88/568109488.db2.gz YDOQNSPWYVULDS-INIZCTEOSA-N 0 0 371.531 4.509 10 0 FJAERN CCn1ccnc1CN1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012301362 568116293 /nfs/dbraw/zinc/11/62/93/568116293.db2.gz KHIDPFQVOGZRDK-JOCHJYFZSA-N 0 0 373.500 4.665 10 0 FJAERN C[C@H](NCc1nc(-c2cccs2)no1)c1ccc(Cl)c(Cl)c1 ZINC000171118146 568306700 /nfs/dbraw/zinc/30/67/00/568306700.db2.gz GPLWSKATINLMNW-VIFPVBQESA-N 0 0 354.262 4.956 10 0 FJAERN C[C@H](c1ccccc1)n1c(C(=O)NCc2ccccn2)cc2sccc21 ZINC000034680188 570530795 /nfs/dbraw/zinc/53/07/95/570530795.db2.gz YOPWHRDRBXOKAU-OAHLLOKOSA-N 0 0 361.470 4.637 10 0 FJAERN Cc1ccccc1CNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)on1 ZINC000022664350 570651110 /nfs/dbraw/zinc/65/11/10/570651110.db2.gz UYJOTHQQIZDAQS-UHFFFAOYSA-N 0 0 360.335 4.599 10 0 FJAERN Cc1ccc(NC(=O)NCCc2cn(CC(C)C)c3ncccc23)cc1C ZINC000065156680 570817526 /nfs/dbraw/zinc/81/75/26/570817526.db2.gz ANLNCEASIOTYAH-UHFFFAOYSA-N 0 0 364.493 4.673 10 0 FJAERN CCOc1ccc([C@@H]2CCCN2Cc2noc(-c3ccc(C)cc3)n2)cc1 ZINC000024981881 570987780 /nfs/dbraw/zinc/98/77/80/570987780.db2.gz VVSUJAQMDCECMZ-FQEVSTJZSA-N 0 0 363.461 4.781 10 0 FJAERN CCOc1ccc([C@H]2CCCN2Cc2noc(-c3ccc(C)cc3)n2)cc1 ZINC000024981888 570987915 /nfs/dbraw/zinc/98/79/15/570987915.db2.gz VVSUJAQMDCECMZ-HXUWFJFHSA-N 0 0 363.461 4.781 10 0 FJAERN CC(C)OC(=O)C(C)(C)Oc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000035644039 571078701 /nfs/dbraw/zinc/07/87/01/571078701.db2.gz JUAWSFKKGMCGEL-SFHVURJKSA-N 0 0 362.853 4.531 10 0 in-vitro FJAERN CCc1csc(CNCc2cnc(-c3ccc4ccccc4c3)nc2)n1 ZINC000055386046 571120317 /nfs/dbraw/zinc/12/03/17/571120317.db2.gz UBFLJPWNXSVBFG-UHFFFAOYSA-N 0 0 360.486 4.606 10 0 FJAERN O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](OCc2ccccc2)C1 ZINC000036314584 571141835 /nfs/dbraw/zinc/14/18/35/571141835.db2.gz 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4.601 10 0 FJAERN O=C(Nc1ccc(C2N=NC(=S)O2)cc1)c1ccc(Cl)cc1Cl ZINC000016849825 209602757 /nfs/dbraw/zinc/60/27/57/209602757.db2.gz MAXUOIRSLOSAFD-UHFFFAOYSA-N 0 0 366.229 4.584 10 0 FJAERN CCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000006839199 219776496 /nfs/dbraw/zinc/77/64/96/219776496.db2.gz JLTTYWWRDLUCMZ-NRFANRHFSA-N 0 0 368.502 4.937 10 0 FJAERN COC(=O)c1c(C)n(C(=O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000226366747 209369277 /nfs/dbraw/zinc/36/92/77/209369277.db2.gz YHHFNOOOGWQBSP-UHFFFAOYSA-N 0 0 362.212 4.732 10 0 FJAERN COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000227146487 209368708 /nfs/dbraw/zinc/36/87/08/209368708.db2.gz OSTLAGYLMCMZON-UHFFFAOYSA-N 0 0 352.821 4.850 10 0 FJAERN Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc2c(Cl)cccc12 ZINC000226366068 209368208 /nfs/dbraw/zinc/36/82/08/209368208.db2.gz QBNYVXRHHPKJSU-UHFFFAOYSA-N 0 0 362.816 4.544 10 0 FJAERN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226862170 209367725 /nfs/dbraw/zinc/36/77/25/209367725.db2.gz SZORDCAEUHVHTO-UHFFFAOYSA-N 0 0 357.862 4.701 10 0 FJAERN COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000226337844 209367157 /nfs/dbraw/zinc/36/71/57/209367157.db2.gz LQDMILLOELFTFE-MDZDMXLPSA-N 0 0 367.832 4.579 10 0 FJAERN C[C@H]1CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C[C@H](C)O1 ZINC000226318663 209367214 /nfs/dbraw/zinc/36/72/14/209367214.db2.gz QUFCTYXBBBGDGF-KBPBESRZSA-N 0 0 356.853 4.757 10 0 FJAERN Nc1ccc(N2CCCC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000226255494 209366088 /nfs/dbraw/zinc/36/60/88/209366088.db2.gz YJLPMUSKLYOVAP-UHFFFAOYSA-N 0 0 371.484 4.640 10 0 FJAERN COc1cc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc(OC)c1OC ZINC000226247699 209365498 /nfs/dbraw/zinc/36/54/98/209365498.db2.gz DCOOLHSLYUSYTN-UHFFFAOYSA-N 0 0 364.401 4.620 10 0 FJAERN CCC(=O)Nc1cc(-c2sc([C@H](C)O)nc2-c2cccc(C)c2)ccn1 ZINC000148218104 209382242 /nfs/dbraw/zinc/38/22/42/209382242.db2.gz NZJUAROZTVGWBQ-ZDUSSCGKSA-N 0 0 367.474 4.582 10 0 FJAERN CCC(CC)Nc1nc(C)c(-c2ccc(C(C)C)nc2NC)nc1OC ZINC000147615977 209381100 /nfs/dbraw/zinc/38/11/00/209381100.db2.gz WOFKFSYSTXMXQU-UHFFFAOYSA-N 0 0 357.502 4.621 10 0 FJAERN C[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1cccc(Br)c1 ZINC000110079582 209318796 /nfs/dbraw/zinc/31/87/96/209318796.db2.gz OFOBHTVGFSVWIN-NSHDSACASA-N 0 0 358.239 4.813 10 0 FJAERN COCCOc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000108751313 209293614 /nfs/dbraw/zinc/29/36/14/209293614.db2.gz BBWQQIHLAJXNDC-LBPRGKRZSA-N 0 0 368.260 4.510 10 0 FJAERN C[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1Br ZINC000108755122 209293697 /nfs/dbraw/zinc/29/36/97/209293697.db2.gz GDJADWLYKPKGFD-NSHDSACASA-N 0 0 368.221 4.537 10 0 FJAERN CCN(Cc1ccccc1Cl)C(=O)c1sc2nc(C)nc(C)c2c1C ZINC000105918298 209269704 /nfs/dbraw/zinc/26/97/04/209269704.db2.gz TVXALUJAEUXKHL-UHFFFAOYSA-N 0 0 373.909 4.932 10 0 FJAERN Brc1cccc(NCCOc2cccc(Br)c2)c1 ZINC000104001850 209258168 /nfs/dbraw/zinc/25/81/68/209258168.db2.gz AJUPTZVGVWOPHU-UHFFFAOYSA-N 0 0 371.072 4.703 10 0 FJAERN Clc1cnc(Oc2ccccc2I)c(Cl)c1 ZINC000042418450 209256512 /nfs/dbraw/zinc/25/65/12/209256512.db2.gz DEQODJSIXZXWIQ-UHFFFAOYSA-N 0 0 365.985 4.785 10 0 FJAERN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2c1C ZINC000012487563 220000966 /nfs/dbraw/zinc/00/09/66/220000966.db2.gz DEICXTRHRKYNGB-HXUWFJFHSA-N 0 0 358.445 4.638 10 0 FJAERN Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)n1 ZINC000097213697 209176232 /nfs/dbraw/zinc/17/62/32/209176232.db2.gz ZNIJUXONGXKUIL-GFCCVEGCSA-N 0 0 353.249 4.720 10 0 FJAERN Brc1cccc(Nc2ncnc3c4cccnc4sc32)c1 ZINC000013803536 220095932 /nfs/dbraw/zinc/09/59/32/220095932.db2.gz ZGFNQDIBQOZEFU-UHFFFAOYSA-N 0 0 357.236 4.746 10 0 FJAERN C[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1Br ZINC000014425901 220124663 /nfs/dbraw/zinc/12/46/63/220124663.db2.gz SLMPMDLVRIWWCA-SNVBAGLBSA-N 0 0 370.193 4.542 10 0 FJAERN COc1ccc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@@H](C)[C@@H]2C)cc1OC ZINC000014727695 220130431 /nfs/dbraw/zinc/13/04/31/220130431.db2.gz YPQNDHHCUQGPFN-IRTBSJMASA-N 0 0 358.434 4.503 10 0 biogenic,in-vitro FJAERN 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0 0 370.460 4.965 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040704141 208263045 /nfs/dbraw/zinc/26/30/45/208263045.db2.gz OBSNFMNKHWWPJC-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Cc1ccc(Nc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1C ZINC000040702788 208263236 /nfs/dbraw/zinc/26/32/36/208263236.db2.gz ZDBUROVNWLBSCJ-UHFFFAOYSA-N 0 0 363.509 4.800 10 0 FJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1N1CCc2ccccc21 ZINC000040687442 208263362 /nfs/dbraw/zinc/26/33/62/208263362.db2.gz ZVSFLBZJOWSANC-UHFFFAOYSA-N 0 0 371.366 4.515 10 0 FJAERN Cc1cc(Oc2ncnc(NCc3ccccc3)c2N)cc(C)c1Cl ZINC000040709351 208263505 /nfs/dbraw/zinc/26/35/05/208263505.db2.gz KLJGSRKNALKKRB-UHFFFAOYSA-N 0 0 354.841 4.733 10 0 FJAERN Cc1ccc(Oc2ncnc(Oc3ccc(Br)cc3)c2N)cc1 ZINC000040796367 208269891 /nfs/dbraw/zinc/26/98/91/208269891.db2.gz CFYCDPTYVLJPJB-UHFFFAOYSA-N 0 0 372.222 4.714 10 0 FJAERN Cc1ccc(C)c(OCC(=O)Nc2ccnc3cc(C(F)(F)F)ccc32)c1 ZINC000041057471 208280880 /nfs/dbraw/zinc/28/08/80/208280880.db2.gz FOIVJOYEXLMEQF-UHFFFAOYSA-N 0 0 374.362 4.888 10 0 FJAERN O=C(Nc1ccc2c(c1)OCO2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000041450265 208285578 /nfs/dbraw/zinc/28/55/78/208285578.db2.gz RLTWYYOBGTXNBG-UHFFFAOYSA-N 0 0 358.703 4.732 10 0 FJAERN Cc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)no1 ZINC000041871921 208286810 /nfs/dbraw/zinc/28/68/10/208286810.db2.gz QNJGGWQWHGQJBP-UHFFFAOYSA-N 0 0 368.245 4.589 10 0 FJAERN COc1ccc2c(c1C)NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCCCC1 ZINC000043200752 208302556 /nfs/dbraw/zinc/30/25/56/208302556.db2.gz JLWDEIVDLTXBGE-HSZRJFAPSA-N 0 0 365.473 4.918 10 0 FJAERN Fc1ccccc1[C@@H]1C[C@@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299741591 208338285 /nfs/dbraw/zinc/33/82/85/208338285.db2.gz GPWBIMZJXKUWRB-LSTDLKDCSA-N 0 0 350.393 4.725 10 0 FJAERN CC[C@@H](O)c1ccc(-c2cc(Br)ccc2Br)o1 ZINC000054107543 208450946 /nfs/dbraw/zinc/45/09/46/208450946.db2.gz TWFMZRWUAMRUPL-LLVKDONJSA-N 0 0 360.045 4.915 10 0 FJAERN CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373680 220324206 /nfs/dbraw/zinc/32/42/06/220324206.db2.gz AJHIDWQKDKEDRV-QZTJIDSGSA-N 0 0 364.489 4.809 10 0 FJAERN CC[C@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000020373676 220324502 /nfs/dbraw/zinc/32/45/02/220324502.db2.gz AJHIDWQKDKEDRV-ROUUACIJSA-N 0 0 364.489 4.809 10 0 FJAERN CC[C@@H](Nc1cccc(I)c1)c1ccc(F)cc1 ZINC000020478850 220327847 /nfs/dbraw/zinc/32/78/47/220327847.db2.gz DFFAGOJYXKQVGV-OAHLLOKOSA-N 0 0 355.194 4.994 10 0 FJAERN O=C(Nc1cccc(C(F)(F)F)c1)c1csc(Nc2cccnc2)n1 ZINC000062022579 208602116 /nfs/dbraw/zinc/60/21/16/208602116.db2.gz ODYFLETYZQQWJH-UHFFFAOYSA-N 0 0 364.352 4.553 10 0 FJAERN Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccnc1 ZINC000020779613 220342067 /nfs/dbraw/zinc/34/20/67/220342067.db2.gz HCAZUGBRUALZFZ-HSZRJFAPSA-N 0 0 357.432 4.850 10 0 FJAERN Cc1ccc2nc(-c3ccc(C)c(N4C(=O)c5ccccc5C4=O)c3)oc2c1 ZINC000021126230 220352532 /nfs/dbraw/zinc/35/25/32/220352532.db2.gz YGLAYISBTVNWPE-UHFFFAOYSA-N 0 0 368.392 4.912 10 0 FJAERN CC[C@]1(C)CC(=O)c2c3c(C)c(C(=O)NC4CCCC4)oc3ccc2O1 ZINC000021166325 220352849 /nfs/dbraw/zinc/35/28/49/220352849.db2.gz HJXOFAQWBRASOF-OAQYLSRUSA-N 0 0 355.434 4.548 10 0 FJAERN Cc1scc(CCNC(=O)Nc2ccc(Br)cc2F)c1C ZINC000021088275 220350828 /nfs/dbraw/zinc/35/08/28/220350828.db2.gz CXTUUHPQIXDLRT-UHFFFAOYSA-N 0 0 371.275 4.631 10 0 FJAERN FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 ZINC000066138931 208696451 /nfs/dbraw/zinc/69/64/51/208696451.db2.gz FHPOTBQOUBMMCI-UHFFFAOYSA-N 0 0 350.604 4.969 10 0 in-vitro FJAERN Cc1ccccc1NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 ZINC000067341288 208704020 /nfs/dbraw/zinc/70/40/20/208704020.db2.gz JLUQVYFLRXUCQI-UHFFFAOYSA-N 0 0 367.455 4.545 10 0 FJAERN CCOC(=O)c1c(NC(=O)C2CCC2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000022329464 220383116 /nfs/dbraw/zinc/38/31/16/220383116.db2.gz VDTCJQPJQPBOND-ZDUSSCGKSA-N 0 0 363.523 4.814 10 0 FJAERN COC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OC)c1-c1ccc(F)cc1 ZINC000022058045 220376131 /nfs/dbraw/zinc/37/61/31/220376131.db2.gz UWVBURCRJLZZKT-UHFFFAOYSA-N 0 0 373.424 4.708 10 0 FJAERN Cc1ccc(Nc2nc3nccc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)cc1 ZINC000072440604 208864063 /nfs/dbraw/zinc/86/40/63/208864063.db2.gz QQCRQQCBSVRRTH-UHFFFAOYSA-N 0 0 362.820 4.691 10 0 FJAERN O=C(Nc1cnn(Cc2cccc3ccccc32)c1)c1c(F)cccc1F ZINC000028220934 220563444 /nfs/dbraw/zinc/56/34/44/220563444.db2.gz GJHLMEQSPMKMKS-UHFFFAOYSA-N 0 0 363.367 4.615 10 0 FJAERN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)n1ccc(C(F)(F)F)n1 ZINC000027973852 220553375 /nfs/dbraw/zinc/55/33/75/220553375.db2.gz DKPMLUGUVJLULE-CQSZACIVSA-N 0 0 373.378 4.692 10 0 FJAERN Cc1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 ZINC000028574375 220578508 /nfs/dbraw/zinc/57/85/08/220578508.db2.gz VHOHDMHDLRCHLA-UHFFFAOYSA-N 0 0 359.351 4.511 10 0 FJAERN C[C@@H](c1ccccc1)n1c(C(=O)NCc2ccccn2)cc2sccc21 ZINC000034680187 220758178 /nfs/dbraw/zinc/75/81/78/220758178.db2.gz YOPWHRDRBXOKAU-HNNXBMFYSA-N 0 0 361.470 4.637 10 0 FJAERN O=Cc1c(Cl)cccc1Oc1ccccc1I ZINC000035454611 220784143 /nfs/dbraw/zinc/78/41/43/220784143.db2.gz KHJDUEOXEKGPKS-UHFFFAOYSA-N 0 0 358.562 4.549 10 0 FJAERN Cc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000040180042 220895507 /nfs/dbraw/zinc/89/55/07/220895507.db2.gz AGKJADYFKMSKPR-UHFFFAOYSA-N 0 0 368.868 4.913 10 0 FJAERN CCN(c1ccccc1)c1ncnc(Nc2cccc3ncccc32)c1N ZINC000040679739 220914032 /nfs/dbraw/zinc/91/40/32/220914032.db2.gz KHQAJSSORNBIEE-UHFFFAOYSA-N 0 0 356.433 4.509 10 0 FJAERN CCOc1ccc(Br)cc1/C=C/C(=O)NC1CCCCCC1 ZINC000040890642 220923840 /nfs/dbraw/zinc/92/38/40/220923840.db2.gz KMPLKZMYOWJGHX-FMIVXFBMSA-N 0 0 366.299 4.700 10 0 FJAERN Brc1ccc([C@H]2NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000041104839 220928942 /nfs/dbraw/zinc/92/89/42/220928942.db2.gz JQVOUYQUIGROCK-OOJLDXBWSA-N 0 0 358.264 4.596 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3cccc4ncccc43)c2N)c1C ZINC000040755196 220920064 /nfs/dbraw/zinc/92/00/64/220920064.db2.gz SBLIUDNXBMFKPL-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN CC(C)(C)OC(=O)N1CCC(CCCOCc2ccc(Cl)nc2)CC1 ZINC000095083735 209020195 /nfs/dbraw/zinc/02/01/95/209020195.db2.gz QDQINYVXLQGRFW-UHFFFAOYSA-N 0 0 368.905 4.679 10 0 FJAERN Nc1ccc(Nc2ccc(Br)cc2Br)c(F)c1 ZINC000042598490 220940564 /nfs/dbraw/zinc/94/05/64/220940564.db2.gz NZRJSECLLAKPEY-UHFFFAOYSA-N 0 0 360.024 4.677 10 0 FJAERN C[C@H](Nc1ccc(Br)cc1N)c1cccc(Br)c1 ZINC000049564042 221026355 /nfs/dbraw/zinc/02/63/55/221026355.db2.gz LVTWMIUDWMDGMY-VIFPVBQESA-N 0 0 370.088 4.967 10 0 FJAERN Nc1n[nH]c(-c2ccc(Br)cc2Cl)c1-c1cccs1 ZINC000052901364 221040620 /nfs/dbraw/zinc/04/06/20/221040620.db2.gz VKKJBBBKPDBPFC-UHFFFAOYSA-N 0 0 354.660 4.803 10 0 FJAERN O[C@@H](Cc1cccc(Br)c1)c1ccc(Br)s1 ZINC000050042243 221030224 /nfs/dbraw/zinc/03/02/24/221030224.db2.gz NNWXEDBPRQAWBR-JTQLQIEISA-N 0 0 362.086 4.549 10 0 FJAERN CN(C)C(=O)Cc1nc(-c2c3ccccc3[nH]c2-c2ccccc2)cs1 ZINC000055049240 221057373 /nfs/dbraw/zinc/05/73/73/221057373.db2.gz FXMVVSNTYDLWTG-UHFFFAOYSA-N 0 0 361.470 4.589 10 0 FJAERN C[C@H](NC(=O)c1ccccc1Br)c1ccc(F)c(Cl)c1 ZINC000055743349 221073635 /nfs/dbraw/zinc/07/36/35/221073635.db2.gz JZTDTKMTEJBLEJ-VIFPVBQESA-N 0 0 356.622 4.733 10 0 FJAERN COc1ccc2c(c1)O[C@H](C)CN(Cc1cnc(-c3ccccc3)s1)C2 ZINC000064120767 221145426 /nfs/dbraw/zinc/14/54/26/221145426.db2.gz LRTPJLLHJIFLDF-OAHLLOKOSA-N 0 0 366.486 4.602 10 0 FJAERN CCSc1ccc(-c2cccc(NC(=O)/C=C/c3ccco3)c2)nn1 ZINC000065185919 221177255 /nfs/dbraw/zinc/17/72/55/221177255.db2.gz NAHOEAPUPQOOHJ-CSKARUKUSA-N 0 0 351.431 4.501 10 0 FJAERN O=C(Nc1ccc(C2(C(=O)NC3CCCCC3)CCCCC2)cc1)C1CC1 ZINC000065027417 221165352 /nfs/dbraw/zinc/16/53/52/221165352.db2.gz FNGLNMDAZAKOFO-UHFFFAOYSA-N 0 0 368.521 4.686 10 0 FJAERN COc1ccc2c(c1)CCC[C@@]2(O)c1ccc(OCc2ccccc2)cc1 ZINC000065742781 221235661 /nfs/dbraw/zinc/23/56/61/221235661.db2.gz SEAUMVPUGNCROD-XMMPIXPASA-N 0 0 360.453 4.846 10 0 in-vitro FJAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000069300493 221323686 /nfs/dbraw/zinc/32/36/86/221323686.db2.gz FKMZHXQIPSYOGW-OAHLLOKOSA-N 0 0 363.417 4.723 10 0 FJAERN O=C(Nc1cccc(Cl)c1)Nc1cccc(I)c1 ZINC000070135113 221331626 /nfs/dbraw/zinc/33/16/26/221331626.db2.gz VCKJYNLCFTULOU-UHFFFAOYSA-N 0 0 372.593 4.589 10 0 FJAERN Fc1ccc(COc2cccc(I)c2)c(Cl)c1 ZINC000070133750 221331863 /nfs/dbraw/zinc/33/18/63/221331863.db2.gz CDSUPSNTBMOEDF-UHFFFAOYSA-N 0 0 362.569 4.663 10 0 FJAERN FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccc(Cl)cc2)c1 ZINC000226240713 132374639 /nfs/dbraw/zinc/37/46/39/132374639.db2.gz QUNRUHAYHHNQSO-UHFFFAOYSA-N 0 0 370.802 4.808 10 0 FJAERN C[C@@H]1CN(C(=O)CCC(=O)Nc2ccc(Cl)cc2)c2ccccc2S1 ZINC000006857556 132837108 /nfs/dbraw/zinc/83/71/08/132837108.db2.gz UVMCUPBUBJJXBK-CYBMUJFWSA-N 0 0 374.893 4.586 10 0 FJAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1N1CCCc2ccccc21 ZINC000040780285 132948917 /nfs/dbraw/zinc/94/89/17/132948917.db2.gz FVDRCNOBLGFVIW-UHFFFAOYSA-N 0 0 369.831 4.679 10 0 FJAERN Cc1cc2c(nc(-c3cccnc3)nc2N2CCc3ccccc3C2)s1 ZINC000072260898 136143904 /nfs/dbraw/zinc/14/39/04/136143904.db2.gz PKQKNQGGTHLKCJ-UHFFFAOYSA-N 0 0 358.470 4.624 10 0 FJAERN O=C(c1cccc(Cl)c1)N1c2ccccc2S(=O)c2ccccc21 ZINC000072470901 136149009 /nfs/dbraw/zinc/14/90/09/136149009.db2.gz KLSOQAFNBSSJEI-UHFFFAOYSA-N 0 0 353.830 4.799 10 0 FJAERN O=C(NCc1ccccc1Cl)c1ccccc1NCc1ccccc1 ZINC000095585676 209081612 /nfs/dbraw/zinc/08/16/12/209081612.db2.gz XDJVELUNEYTDRL-UHFFFAOYSA-N 0 0 350.849 4.882 10 0 FJAERN COc1ccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(F)c1 ZINC000095756466 209084556 /nfs/dbraw/zinc/08/45/56/209084556.db2.gz FTKRYVWKRFKYQR-UHFFFAOYSA-N 0 0 355.406 4.507 10 0 FJAERN O=C(C1(c2ccncc2Cl)CCC1)C1(c2ccncc2Cl)CCC1 ZINC000095932204 209086075 /nfs/dbraw/zinc/08/60/75/209086075.db2.gz YNRMZCKHHGQUPI-UHFFFAOYSA-N 0 0 361.272 4.896 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nsc3ccccc32)C1 ZINC000095085181 221845487 /nfs/dbraw/zinc/84/54/87/221845487.db2.gz XOMKOJHLCCQNNJ-AWEZNQCLSA-N 0 0 362.495 4.712 10 0 FJAERN O=C(N[C@H](CSC(F)(F)F)Cc1ccccc1)OCc1ccccc1 ZINC000095918479 221971763 /nfs/dbraw/zinc/97/17/63/221971763.db2.gz ZSJLEXCFEFFSOY-INIZCTEOSA-N 0 0 369.408 4.777 10 0 FJAERN Brc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 ZINC000100065439 222235004 /nfs/dbraw/zinc/23/50/04/222235004.db2.gz BAONJJYITSLFLE-UHFFFAOYSA-N 0 0 364.246 4.861 10 0 FJAERN COC(=O)c1sc(-c2ccc(Br)s2)c(C(C)C)c1N ZINC000103945555 222347186 /nfs/dbraw/zinc/34/71/86/222347186.db2.gz PRKXJCPKSFZXGW-UHFFFAOYSA-N 0 0 360.298 4.731 10 0 FJAERN O=C(Nc1nn(Cc2ccccc2F)cc1Cl)c1ccccc1Cl ZINC000032647518 263393941 /nfs/dbraw/zinc/39/39/41/263393941.db2.gz RQBLCEJVTMKNJS-UHFFFAOYSA-N 0 0 364.207 4.630 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H](CSCc2cnc(Cl)s2)C1 ZINC000085333345 518807878 /nfs/dbraw/zinc/80/78/78/518807878.db2.gz INVVJTFSYLGOGV-NSHDSACASA-N 0 0 362.948 4.677 10 0 FJAERN C[C@@H](c1ccncn1)n1cnc(-c2ccccc2)c1COCc1ccccc1 ZINC000065508748 526153985 /nfs/dbraw/zinc/15/39/85/526153985.db2.gz FCAPTVSOCPQXJO-SFHVURJKSA-N 0 0 370.456 4.666 10 0 FJAERN CCOC(=O)c1cnc2c(F)c(Br)c(Cl)cc2c1Cl ZINC000261508291 528305591 /nfs/dbraw/zinc/30/55/91/528305591.db2.gz RBKNYFOMZDSAIF-UHFFFAOYSA-N 0 0 367.001 4.620 10 0 FJAERN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 ZINC000226265911 535108774 /nfs/dbraw/zinc/10/87/74/535108774.db2.gz MSMCDLOLACTYTK-UHFFFAOYSA-N 0 0 351.494 4.809 10 0 FJAERN COc1ccccc1C(=O)Nc1cc(N2[C@H](C)CCC[C@@H]2C)c(C)cc1N ZINC000226331603 537000956 /nfs/dbraw/zinc/00/09/56/537000956.db2.gz KGFFUIZBXVHVQJ-IYBDPMFKSA-N 0 0 367.493 4.605 10 0 FJAERN COc1c(C)c(C[C@H](C)O)c2[nH]c3ccc(CC=C(C)C)cc3c2c1O ZINC000006068926 560204970 /nfs/dbraw/zinc/20/49/70/560204970.db2.gz SDXRDEAECLPZHL-ZDUSSCGKSA-N 0 0 353.462 4.776 10 0 in-vitro FJAERN C[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])c2c(O)cccc21 ZINC000186274204 567896540 /nfs/dbraw/zinc/89/65/40/567896540.db2.gz FKCOBNKSAPJZDA-VIFPVBQESA-N 0 0 352.217 4.559 10 0 FJAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1(c2cccs2)CCCCC1 ZINC000159186255 567915101 /nfs/dbraw/zinc/91/51/01/567915101.db2.gz YLNHSJZAPUZZSQ-KRWDZBQOSA-N 0 0 371.550 4.664 10 0 FJAERN C[C@H](NC(=O)Nc1cccc(C(C)(F)F)c1)c1cccc(-n2ccnc2)c1 ZINC000187029462 568003626 /nfs/dbraw/zinc/00/36/26/568003626.db2.gz OOIVXSNHKKUFQB-AWEZNQCLSA-N 0 0 370.403 4.867 10 0 FJAERN CCc1ccc([C@H](C)N[C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000186917050 568009159 /nfs/dbraw/zinc/00/91/59/568009159.db2.gz VBYKOIBINRQXQP-RYUDHWBXSA-N 0 0 351.263 4.957 10 0 FJAERN C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ncc(Br)cc1F ZINC000186978274 568041049 /nfs/dbraw/zinc/04/10/49/568041049.db2.gz RFBOQJIOTFCJIJ-QXEWZRGKSA-N 0 0 369.200 4.755 10 0 FJAERN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000128728569 568224660 /nfs/dbraw/zinc/22/46/60/568224660.db2.gz HHZPONPSDOCEMZ-AWEZNQCLSA-N 0 0 373.884 4.669 10 0 FJAERN Fc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000394740373 568505601 /nfs/dbraw/zinc/50/56/01/568505601.db2.gz IKCXVTBYCLNYPG-VHSXEESVSA-N 0 0 354.185 4.799 10 0 FJAERN Cc1c(C(=O)N2CCCC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014971109 570827499 /nfs/dbraw/zinc/82/74/99/570827499.db2.gz KRIUQZFSKCEGQO-UHFFFAOYSA-N 0 0 370.522 4.538 10 0 FJAERN CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cc(C)ccc1C ZINC000041077065 571106743 /nfs/dbraw/zinc/10/67/43/571106743.db2.gz NOJJNTDYBMUBTL-UHFFFAOYSA-N 0 0 363.461 4.589 10 0 FJAERN Cc1cc2nc(-c3cncc(Br)c3)oc2c(Br)c1 ZINC000073638631 571109491 /nfs/dbraw/zinc/10/94/91/571109491.db2.gz KHTXOYKGAVXRNU-UHFFFAOYSA-N 0 0 368.028 4.723 10 0 FJAERN CCOc1cccc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1C ZINC000035927925 571141735 /nfs/dbraw/zinc/14/17/35/571141735.db2.gz VHUBGDJEBKOZHU-UHFFFAOYSA-N 0 0 362.473 4.633 10 0 FJAERN C[C@@H](CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C)CC(F)F ZINC000685960242 571142314 /nfs/dbraw/zinc/14/23/14/571142314.db2.gz ACVCJCPYKKEDBP-AWEZNQCLSA-N 0 0 355.425 4.674 10 0 FJAERN CCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000071372549 571161070 /nfs/dbraw/zinc/16/10/70/571161070.db2.gz YCTPTBUUJGAODG-GFCCVEGCSA-N 0 0 369.339 4.613 10 0 FJAERN O=C(c1ccccc1)N(Cc1cc(-c2cccs2)on1)Cc1ccco1 ZINC000036006741 571237845 /nfs/dbraw/zinc/23/78/45/571237845.db2.gz NOYWMWHAEPADKG-UHFFFAOYSA-N 0 0 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208244485 /nfs/dbraw/zinc/24/44/85/208244485.db2.gz GBSNWMKQMGLXHR-UHFFFAOYSA-N 0 0 350.340 4.533 10 0 FJAERN CCCc1nn2c(CC)c(-c3ccc(Br)cc3)nc2s1 ZINC000040963628 208277278 /nfs/dbraw/zinc/27/72/78/208277278.db2.gz WNPMXAGHHGBVMO-UHFFFAOYSA-N 0 0 350.285 4.735 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2nc3c(cc(C)cc3C)s2)c(OC)c1 ZINC000041012854 208277760 /nfs/dbraw/zinc/27/77/60/208277760.db2.gz DNKWBLNAYKUVHZ-SOFGYWHQSA-N 0 0 368.458 4.582 10 0 FJAERN CCCOc1ccc(/C=C/C(=O)Nc2nc3c(cccc3OC)s2)cc1 ZINC000040970999 208278094 /nfs/dbraw/zinc/27/80/94/208278094.db2.gz PERYYIJXSTVAKM-FMIVXFBMSA-N 0 0 368.458 4.746 10 0 FJAERN CCCCOC(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC ZINC000041013021 208278299 /nfs/dbraw/zinc/27/82/99/208278299.db2.gz ZIOLUYKJPBPRPU-UHFFFAOYSA-N 0 0 365.426 4.998 10 0 FJAERN CCOc1cccc2sc(NC(=O)COc3c(C)ccc(C)c3C)nc21 ZINC000040979975 208278450 /nfs/dbraw/zinc/27/84/50/208278450.db2.gz ULFUQRNGFJHPPU-UHFFFAOYSA-N 0 0 370.474 4.638 10 0 FJAERN CCCc1ccc(OCC(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000040979760 208278487 /nfs/dbraw/zinc/27/84/87/208278487.db2.gz FTSDXZVHRSOJKC-UHFFFAOYSA-N 0 0 354.475 4.883 10 0 FJAERN CCCOc1ccc2nc(NC(=O)c3ccccc3OCC)sc2c1 ZINC000040978520 208278901 /nfs/dbraw/zinc/27/89/01/208278901.db2.gz RPAQPXWIBGDQKX-UHFFFAOYSA-N 0 0 356.447 4.736 10 0 FJAERN COc1ccc2nc(NC(=O)CCc3ccc(C(C)C)cc3)sc2c1 ZINC000040995995 208279062 /nfs/dbraw/zinc/27/90/62/208279062.db2.gz YCCZZHHVKBPNFD-UHFFFAOYSA-N 0 0 354.475 5.000 10 0 FJAERN CC(C)C(=O)NCc1nc2ccccc2n1Cc1cccc2ccccc21 ZINC000040274726 208245543 /nfs/dbraw/zinc/24/55/43/208245543.db2.gz UUSIKFGPLWVWAQ-UHFFFAOYSA-N 0 0 357.457 4.510 10 0 FJAERN Cc1cc2nc(CCCO)n(Cc3ccc(Cl)cc3Cl)c2cc1C ZINC000040310977 208246983 /nfs/dbraw/zinc/24/69/83/208246983.db2.gz VWNMKSXWPNQIQV-UHFFFAOYSA-N 0 0 363.288 4.933 10 0 FJAERN CCOc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040306513 208247013 /nfs/dbraw/zinc/24/70/13/208247013.db2.gz NMCRESZAJIECOS-UHFFFAOYSA-N 0 0 371.440 4.741 10 0 FJAERN Cc1cc2nc(CO)n(CCCOc3ccc(Cl)c(C)c3)c2cc1C ZINC000040309015 208247067 /nfs/dbraw/zinc/24/70/67/208247067.db2.gz HILGJNOHOLVHAM-UHFFFAOYSA-N 0 0 358.869 4.576 10 0 FJAERN CCOC(=O)c1ccc(NC(=O)c2nc(C)sc2-c2ccccc2)cc1 ZINC000040326360 208247513 /nfs/dbraw/zinc/24/75/13/208247513.db2.gz DNPZMOXEFTVDEN-UHFFFAOYSA-N 0 0 366.442 4.548 10 0 FJAERN COc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040307242 208247739 /nfs/dbraw/zinc/24/77/39/208247739.db2.gz AYLBFWIEONLQPD-UHFFFAOYSA-N 0 0 371.440 4.659 10 0 FJAERN CC[NH+](CC)CCCn1c2ccc(C(=O)[O-])cc2nc1C1CCCCC1 ZINC000040403654 208250570 /nfs/dbraw/zinc/25/05/70/208250570.db2.gz CMEULZKCGXSMMS-UHFFFAOYSA-N 0 0 357.498 4.514 10 0 FJAERN COCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040404737 208252129 /nfs/dbraw/zinc/25/21/29/208252129.db2.gz NNYOQRTZMLFJIN-UHFFFAOYSA-N 0 0 351.233 4.569 10 0 FJAERN C[C@H](Nc1cc2c(cn1)onc2-c1ccc2c(c1)OCO2)c1ccccc1 ZINC000040424450 208253055 /nfs/dbraw/zinc/25/30/55/208253055.db2.gz DAAGOCSHXCDWDY-ZDUSSCGKSA-N 0 0 359.385 4.792 10 0 in-vitro FJAERN COc1ccc(Cc2nc3cc(Cl)ccc3n2CC(C)C)cc1OC ZINC000040417681 208253476 /nfs/dbraw/zinc/25/34/76/208253476.db2.gz KRIZUJGFIWGNFG-UHFFFAOYSA-N 0 0 358.869 4.954 10 0 FJAERN CCOCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040405190 208253513 /nfs/dbraw/zinc/25/35/13/208253513.db2.gz NTUFELXATOKJSP-UHFFFAOYSA-N 0 0 365.260 4.959 10 0 FJAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040679778 208261894 /nfs/dbraw/zinc/26/18/94/208261894.db2.gz ABSKNZMTHWINRS-UHFFFAOYSA-N 0 0 373.382 4.979 10 0 FJAERN COc1ccc(Oc2ncnc(Nc3cccc(Cl)c3C)c2N)cc1 ZINC000040701678 208262923 /nfs/dbraw/zinc/26/29/23/208262923.db2.gz XKBKROHRWLPQBB-UHFFFAOYSA-N 0 0 356.813 4.565 10 0 FJAERN Cc1ccnc(Nc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2N)c1 ZINC000040701214 208263614 /nfs/dbraw/zinc/26/36/14/208263614.db2.gz IOKRVFUJABWBJC-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2cc(F)ccc2F)c1N ZINC000040701652 208264122 /nfs/dbraw/zinc/26/41/22/208264122.db2.gz GCCXTBDFRVUIQV-UHFFFAOYSA-N 0 0 361.783 4.786 10 0 FJAERN COc1ccccc1Oc1ncnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703912 208264195 /nfs/dbraw/zinc/26/41/95/208264195.db2.gz VPHYADIOTWCWFS-UHFFFAOYSA-N 0 0 356.813 4.565 10 0 FJAERN Cc1nc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)sc1C ZINC000040723047 208266085 /nfs/dbraw/zinc/26/60/85/208266085.db2.gz JDJPIRKSBDVPBJ-UHFFFAOYSA-N 0 0 363.899 4.680 10 0 FJAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Oc1cccc2cccnc21 ZINC000040752140 208267320 /nfs/dbraw/zinc/26/73/20/208267320.db2.gz JPXJOARRIYLHCA-UHFFFAOYSA-N 0 0 363.808 4.796 10 0 FJAERN Cc1cccc(Nc2ncnc(Oc3cccc4cccnc43)c2N)c1C ZINC000040752099 208268534 /nfs/dbraw/zinc/26/85/34/208268534.db2.gz KHTFVDBXTQVSJN-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1cccc2cccnc21 ZINC000040758321 208268792 /nfs/dbraw/zinc/26/87/92/208268792.db2.gz STTRCVACTHBNOB-UHFFFAOYSA-N 0 0 362.824 4.748 10 0 FJAERN Cc1ccc(CNc2ncnc(Nc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040758638 208268803 /nfs/dbraw/zinc/26/88/03/208268803.db2.gz BTLWYQLZMNPJNE-UHFFFAOYSA-N 0 0 370.460 4.580 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3cccc4ccc(C)nc43)c2N)c1 ZINC000040758598 208269099 /nfs/dbraw/zinc/26/90/99/208269099.db2.gz MLMDPIFXCPJYSV-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN COc1ccc(Nc2ncnc(Oc3cc(C)c(Cl)c(C)c3)c2N)cc1 ZINC000040782601 208270248 /nfs/dbraw/zinc/27/02/48/208270248.db2.gz ULWWVAJSKYHVQF-UHFFFAOYSA-N 0 0 370.840 4.874 10 0 FJAERN COc1ccc2nc(NC(=O)c3cc4cc(Cl)ccc4o3)sc2c1 ZINC000041311266 208283964 /nfs/dbraw/zinc/28/39/64/208283964.db2.gz HVICZOKEDUNQLK-UHFFFAOYSA-N 0 0 358.806 4.957 10 0 FJAERN FC(F)(F)Oc1ccc2ncc(Br)c(Br)c2c1 ZINC000041701947 208286135 /nfs/dbraw/zinc/28/61/35/208286135.db2.gz VACMRXGZVAUVAF-UHFFFAOYSA-N 0 0 370.950 4.658 10 0 FJAERN Nc1ccc(O)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000043133354 208303010 /nfs/dbraw/zinc/30/30/10/208303010.db2.gz DBDMFRBFYLANQK-UHFFFAOYSA-N 0 0 361.469 4.713 10 0 in-vivo FJAERN C[C@@H](CCc1ccccc1)Nc1cccc(I)c1 ZINC000020479080 220327883 /nfs/dbraw/zinc/32/78/83/220327883.db2.gz ZSBSYAGIIPQKFV-ZDUSSCGKSA-N 0 0 351.231 4.724 10 0 FJAERN CCc1ccc2nc(-c3cnn(C(C)C)c3)cc(C(=O)N(C)C(C)C)c2c1 ZINC000063832637 208609707 /nfs/dbraw/zinc/60/97/07/208609707.db2.gz BLDLQBLCAIXMON-UHFFFAOYSA-N 0 0 364.493 4.722 10 0 FJAERN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000021141793 220353178 /nfs/dbraw/zinc/35/31/78/220353178.db2.gz RRPWDHXHZROOCB-MRXNPFEDSA-N 0 0 371.440 4.944 10 0 FJAERN CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000021708506 220363205 /nfs/dbraw/zinc/36/32/05/220363205.db2.gz CQPMHVAHOWREDY-UHFFFAOYSA-N 0 0 373.456 4.966 10 0 FJAERN COc1ccc(Nc2nc(Nc3cccc(O)c3)nc3ccccc32)cc1 ZINC000072261019 208826458 /nfs/dbraw/zinc/82/64/58/208826458.db2.gz OJHFJGPVFYZSKP-UHFFFAOYSA-N 0 0 358.401 4.831 10 0 FJAERN COC(=O)c1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000072260346 208826968 /nfs/dbraw/zinc/82/69/68/208826968.db2.gz WBSHORKARQAIRI-UHFFFAOYSA-N 0 0 370.412 4.904 10 0 FJAERN Cc1cccc(NC(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c1 ZINC000028305432 220571372 /nfs/dbraw/zinc/57/13/72/220571372.db2.gz NUZBJFPLZXTZDW-UHFFFAOYSA-N 0 0 374.803 4.665 10 0 FJAERN CCNC(=O)c1csc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1 ZINC000034711837 220760652 /nfs/dbraw/zinc/76/06/52/220760652.db2.gz PEHXZLKEEMSGLE-UHFFFAOYSA-N 0 0 372.877 4.792 10 0 FJAERN CC(C)[C@H](C)NC(=O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1 ZINC000035728046 220794533 /nfs/dbraw/zinc/79/45/33/220794533.db2.gz KAQNLANWCAJJFV-ZDUSSCGKSA-N 0 0 357.841 4.560 10 0 FJAERN COc1cc(-c2nccn2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000035982763 220796379 /nfs/dbraw/zinc/79/63/79/220796379.db2.gz QHLHXSSILZPKFF-UHFFFAOYSA-N 0 0 360.413 4.718 10 0 FJAERN COc1ccc(C(=O)c2cccc(Cl)c2Cl)c(Br)c1 ZINC000037444634 220835469 /nfs/dbraw/zinc/83/54/69/220835469.db2.gz CUSBNRMCBSCQFQ-UHFFFAOYSA-N 0 0 360.034 4.996 10 0 FJAERN CCOCCn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040405187 220904964 /nfs/dbraw/zinc/90/49/64/220904964.db2.gz RVSGRTVPJHVQHZ-UHFFFAOYSA-N 0 0 365.260 4.959 10 0 FJAERN Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Br ZINC000040296662 220899891 /nfs/dbraw/zinc/89/98/91/220899891.db2.gz OBGIWWGZUXUETK-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2F)c1 ZINC000040306731 220899979 /nfs/dbraw/zinc/89/99/79/220899979.db2.gz MLLBVIVFXPDELU-UHFFFAOYSA-N 0 0 359.404 4.790 10 0 FJAERN COc1ccc(C)cc1Nc1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040681211 220913769 /nfs/dbraw/zinc/91/37/69/220913769.db2.gz RFSGJQHTOSLGRG-UHFFFAOYSA-N 0 0 350.422 4.529 10 0 FJAERN Nc1c(Oc2cccc3ccccc32)ncnc1N1CCc2ccccc21 ZINC000040682914 220914624 /nfs/dbraw/zinc/91/46/24/220914624.db2.gz IKKQQBHNAWYBFB-UHFFFAOYSA-N 0 0 354.413 4.699 10 0 FJAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1ccccc1OCC ZINC000040950223 220925643 /nfs/dbraw/zinc/92/56/43/220925643.db2.gz ZWOHEPZJEOHAQS-VAWYXSNFSA-N 0 0 373.474 4.592 10 0 FJAERN Cc1ccccc1CN(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC000095088153 209021097 /nfs/dbraw/zinc/02/10/97/209021097.db2.gz JCDASOFWDNTBBT-LJQANCHMSA-N 0 0 374.525 4.522 10 0 FJAERN COC(=O)CSc1nc(C)cc(C)c1-c1nc(-c2ccccc2)cs1 ZINC000095117493 209021562 /nfs/dbraw/zinc/02/15/62/209021562.db2.gz BMJYOGWAHQFVHR-UHFFFAOYSA-N 0 0 370.499 4.754 10 0 FJAERN COc1ccc(OC)c(Nc2ccnc3cc(Br)ccc32)c1 ZINC000054202305 221051818 /nfs/dbraw/zinc/05/18/18/221051818.db2.gz YQJROOTUYBPSDC-UHFFFAOYSA-N 0 0 359.223 4.758 10 0 FJAERN CCCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000054644565 221054138 /nfs/dbraw/zinc/05/41/38/221054138.db2.gz YWSJYJZYOQGZNM-UHFFFAOYSA-N 0 0 357.793 4.905 10 0 FJAERN CCOc1ccc(CCC(=O)Nc2ccc(N(CC)CC)cc2)cc1OC ZINC000054591867 221054411 /nfs/dbraw/zinc/05/44/11/221054411.db2.gz GVCHYFNGNKZQLT-UHFFFAOYSA-N 0 0 370.493 4.511 10 0 FJAERN O=C(Nc1ccc(F)cc1Cl)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000056540884 221081050 /nfs/dbraw/zinc/08/10/50/221081050.db2.gz PZADPSOJTINMIB-MRXNPFEDSA-N 0 0 369.223 4.738 10 0 FJAERN O=c1c(CN(Cc2ccncc2)Cc2ccc(F)cc2)coc2ccccc21 ZINC000055404012 221069381 /nfs/dbraw/zinc/06/93/81/221069381.db2.gz RVTCGHZYTPSTIW-UHFFFAOYSA-N 0 0 374.415 4.530 10 0 FJAERN O=C(Nc1nc(-c2ccco2)c(Cc2ccccc2)s1)c1ccncc1 ZINC000059757487 221127235 /nfs/dbraw/zinc/12/72/35/221127235.db2.gz ZOXNFJVHZOPCRC-UHFFFAOYSA-N 0 0 361.426 4.641 10 0 FJAERN COc1cccc(NC(=O)Nc2c(-c3ccsc3)nc3ccccn32)c1 ZINC000064611230 221148801 /nfs/dbraw/zinc/14/88/01/221148801.db2.gz UJIVKLYNQIKOPG-UHFFFAOYSA-N 0 0 364.430 4.715 10 0 FJAERN CCSc1ccc(-c2cccc(NC(=O)c3ccccc3OC)c2)nn1 ZINC000065185892 221177318 /nfs/dbraw/zinc/17/73/18/221177318.db2.gz NSJGFZMBMVEYNK-UHFFFAOYSA-N 0 0 365.458 4.517 10 0 FJAERN CCc1ccc(NC(=O)COc2ccccc2Cl)c(Br)c1 ZINC000065000547 221163304 /nfs/dbraw/zinc/16/33/04/221163304.db2.gz OKOUZZAMIKKWLK-UHFFFAOYSA-N 0 0 368.658 4.682 10 0 FJAERN Fc1ccc(-c2nn3cc(C(F)(F)F)ccc3c2Br)cc1 ZINC000067175980 221248344 /nfs/dbraw/zinc/24/83/44/221248344.db2.gz MVCVSYBUVYJMHN-UHFFFAOYSA-N 0 0 359.120 4.922 10 0 FJAERN COc1ccc(Cl)cc1COc1ccc(I)cc1 ZINC000070138236 221331982 /nfs/dbraw/zinc/33/19/82/221331982.db2.gz TZPLQYFITDHUPC-UHFFFAOYSA-N 0 0 374.605 4.532 10 0 FJAERN COc1ccc(Br)cc1COc1cccc(Br)c1 ZINC000070244197 221332966 /nfs/dbraw/zinc/33/29/66/221332966.db2.gz OFDRFUKDBCLDNQ-UHFFFAOYSA-N 0 0 372.056 4.799 10 0 FJAERN CC[C@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(OC)cc1 ZINC000072026278 221397004 /nfs/dbraw/zinc/39/70/04/221397004.db2.gz CSWOSZPNUQGYDZ-RBUKOAKNSA-N 0 0 358.869 4.786 10 0 FJAERN C[C@@H]1CCC[C@@H](C)N1c1c(Br)cc(N)cc1Br ZINC000226316493 132250328 /nfs/dbraw/zinc/25/03/28/132250328.db2.gz QYIJMJWQTKKSOL-RKDXNWHRSA-N 0 0 362.109 4.561 10 0 FJAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1C[C@@H](C)C[C@H](C)C1 ZINC000226330205 132250490 /nfs/dbraw/zinc/25/04/90/132250490.db2.gz OLHRZCSWUGSHOF-KBPBESRZSA-N 0 0 371.912 4.965 10 0 FJAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCC[C@H](C)C1 ZINC000226330252 132250513 /nfs/dbraw/zinc/25/05/13/132250513.db2.gz WVJLVNZDPLEVRN-ZDUSSCGKSA-N 0 0 357.885 4.719 10 0 FJAERN COc1cccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@H]3C)c(C)cc2N)c1 ZINC000226331589 132250846 /nfs/dbraw/zinc/25/08/46/132250846.db2.gz JOSSNEINGUIPME-HZPDHXFCSA-N 0 0 367.493 4.605 10 0 FJAERN COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(c1ccccc1)CC2 ZINC000033638243 132378028 /nfs/dbraw/zinc/37/80/28/132378028.db2.gz YGUXVCXVUQCACA-HSZRJFAPSA-N 0 0 363.432 4.995 10 0 FJAERN Cc1cccc(-c2nc(N)sc2-c2ccnc(N3CCCCC3)c2)c1 ZINC000038443098 136118694 /nfs/dbraw/zinc/11/86/94/136118694.db2.gz BJNWBWCZALLRGE-UHFFFAOYSA-N 0 0 350.491 4.753 10 0 FJAERN O=c1[nH]c(Nc2ccc(F)cc2)nc2nccc(-c3ccc(Cl)cc3)c12 ZINC000072440625 221532026 /nfs/dbraw/zinc/53/20/26/221532026.db2.gz SIQZMHBXCMYTKW-UHFFFAOYSA-N 0 0 366.783 4.521 10 0 FJAERN CSc1ccc(-c2ccnc3nc(Nc4cccc(C)c4)[nH]c(=O)c32)cc1 ZINC000072441214 221532053 /nfs/dbraw/zinc/53/20/53/221532053.db2.gz MYDNZUVKDRDYSJ-UHFFFAOYSA-N 0 0 374.469 4.759 10 0 FJAERN COc1ccc(-c2nc3nccc(-c4cccc5ccccc54)n3n2)cc1 ZINC000072451498 221535790 /nfs/dbraw/zinc/53/57/90/221535790.db2.gz XVSJKANLQMRAHN-UHFFFAOYSA-N 0 0 352.397 4.620 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOCc2cnc(Cl)s2)C1 ZINC000095085100 221845833 /nfs/dbraw/zinc/84/58/33/221845833.db2.gz NJEQXCGTCAAFBV-CYBMUJFWSA-N 0 0 374.934 4.740 10 0 FJAERN C[C@H]1c2cc(Cl)c(OC(=O)N(C)C)cc2OC[C@H]1Cc1ccccc1 ZINC000095932156 221973003 /nfs/dbraw/zinc/97/30/03/221973003.db2.gz LEKUTGGJGLHXNJ-UKRRQHHQSA-N 0 0 359.853 4.755 10 0 FJAERN Cc1cccc(CSCCCNc2nccc(-c3ccccn3)n2)c1 ZINC000096138203 222042737 /nfs/dbraw/zinc/04/27/37/222042737.db2.gz ZGMQFKSNVTUFBG-UHFFFAOYSA-N 0 0 350.491 4.582 10 0 FJAERN Cc1[nH]nc(NC(=O)c2cccc(C)c2)c1-c1ccc(Br)cc1 ZINC000096398911 222120492 /nfs/dbraw/zinc/12/04/92/222120492.db2.gz PJWTYYUOYITEEE-UHFFFAOYSA-N 0 0 370.250 4.708 10 0 FJAERN Cc1ccc([C@@H](O)c2cc(Br)ccc2Br)c(C)c1 ZINC000104029336 222348274 /nfs/dbraw/zinc/34/82/74/222348274.db2.gz UCHFFVJPZZGKAV-OAHLLOKOSA-N 0 0 370.084 4.910 10 0 FJAERN CC(C)(C)c1ccc([C@H](O)c2ccccc2I)cc1 ZINC000104033172 222348394 /nfs/dbraw/zinc/34/83/94/222348394.db2.gz JNYNDCCTPGLQSH-INIZCTEOSA-N 0 0 366.242 4.670 10 0 FJAERN Cc1cc(C)c(COc2ccccc2I)c(C)c1 ZINC000104183372 222352505 /nfs/dbraw/zinc/35/25/05/222352505.db2.gz NWUDDTHPRNXMML-UHFFFAOYSA-N 0 0 352.215 4.795 10 0 FJAERN Cc1cc(Br)ccc1[C@H](O)Cc1cccc(Br)c1 ZINC000104182135 222352798 /nfs/dbraw/zinc/35/27/98/222352798.db2.gz VXNZUHSXKMJOHS-OAHLLOKOSA-N 0 0 370.084 4.796 10 0 FJAERN O=C1[C@H]([C@@H](O)c2ccccc2)S[C@H](c2ccccc2)N1c1ccccc1 ZINC000105258147 222366659 /nfs/dbraw/zinc/36/66/59/222366659.db2.gz KASBMYQPZUJQOY-JAXLGGSGSA-N 0 0 361.466 4.567 10 0 FJAERN CCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)o1 ZINC000106033596 222380341 /nfs/dbraw/zinc/38/03/41/222380341.db2.gz UDSPAGKCRCIZMG-UHFFFAOYSA-N 0 0 353.447 4.652 10 0 FJAERN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)cc2)n1 ZINC000108859784 222432020 /nfs/dbraw/zinc/43/20/20/222432020.db2.gz BXPYKGAVXODVHQ-HXUWFJFHSA-N 0 0 365.864 4.560 10 0 FJAERN Cc1ncc(NC(=O)c2cccs2)n1-c1nc(-c2ccccc2)cs1 ZINC000032642093 263393667 /nfs/dbraw/zinc/39/36/67/263393667.db2.gz SIMNDNLADSLWTM-UHFFFAOYSA-N 0 0 366.471 4.618 10 0 FJAERN COc1ccc(Nc2nc3ccccc3nc2NCc2ccccc2)cc1 ZINC000032647177 263393978 /nfs/dbraw/zinc/39/39/78/263393978.db2.gz RASYBTNAFYIUGJ-UHFFFAOYSA-N 0 0 356.429 4.994 10 0 FJAERN O=C(CSc1ccccc1)Nc1cnn(Cc2cccc3ccccc32)c1 ZINC000032647465 263394011 /nfs/dbraw/zinc/39/40/11/263394011.db2.gz IUWMUCXGTHOWEJ-UHFFFAOYSA-N 0 0 373.481 4.815 10 0 FJAERN Cc1ccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000020367976 525424545 /nfs/dbraw/zinc/42/45/45/525424545.db2.gz TVYYYDMRRUIOID-ATVHPVEESA-N 0 0 371.483 4.782 10 0 FJAERN Cc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000020367970 525425680 /nfs/dbraw/zinc/42/56/80/525425680.db2.gz WFQPFFJITLTBHJ-ATVHPVEESA-N 0 0 371.483 4.782 10 0 FJAERN c1ccc(COc2cc(-c3cncc(Oc4ccccc4)c3)ncn2)cc1 ZINC000091365906 526473379 /nfs/dbraw/zinc/47/33/79/526473379.db2.gz LNQQLTHMDUVUOG-UHFFFAOYSA-N 0 0 355.397 4.910 10 0 FJAERN Cc1nc([C@@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(C)s1 ZINC000020998342 527024444 /nfs/dbraw/zinc/02/44/44/527024444.db2.gz XBRAESBIXMAYPR-SNVBAGLBSA-N 0 0 362.886 4.656 10 0 FJAERN O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1cccc(Br)c1 ZINC000020508782 527103031 /nfs/dbraw/zinc/10/30/31/527103031.db2.gz OJFNKAKNKMYNRX-GDNBJRDFSA-N 0 0 374.259 4.686 10 0 FJAERN Nc1cc(Br)ccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000020520887 527441385 /nfs/dbraw/zinc/44/13/85/527441385.db2.gz PLGPFUGCDNLWOL-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN O=c1nc(-c2ccccc2)c2c([nH]1)Nc1ccccc1N[C@@H]2c1cccs1 ZINC000026770551 537696680 /nfs/dbraw/zinc/69/66/80/537696680.db2.gz BVUNZDNHMRHFRA-LJQANCHMSA-N 0 0 372.453 4.757 10 0 FJAERN CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O ZINC000002585493 560188350 /nfs/dbraw/zinc/18/83/50/560188350.db2.gz JZPKLLLUDLHCEL-UHFFFAOYSA-N 0 0 353.777 4.578 10 0 in-vitro FJAERN C[C@H]1CC[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)c2ccccc21 ZINC000188583251 567965653 /nfs/dbraw/zinc/96/56/53/567965653.db2.gz VOSNTVIYRPQCTH-KKSFZXQISA-N 0 0 358.489 4.866 10 0 FJAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(F)cc2Cl)cs1 ZINC000186743865 567978763 /nfs/dbraw/zinc/97/87/63/567978763.db2.gz QLCBOAAABAGHRM-QFYYESIMSA-N 0 0 367.877 4.852 10 0 FJAERN CCc1ccc([C@@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)s1 ZINC000188607240 567987422 /nfs/dbraw/zinc/98/74/22/567987422.db2.gz RSXYMGOOMBQHIJ-CQSZACIVSA-N 0 0 352.507 4.612 10 0 FJAERN C[C@@H](N[C@@H](C)c1ncc(Br)cc1F)c1ccc(F)c(F)c1 ZINC000186906115 568001819 /nfs/dbraw/zinc/00/18/19/568001819.db2.gz KZWAMCQXSHOQCS-BDAKNGLRSA-N 0 0 359.189 4.673 10 0 FJAERN CCc1ccc([C@@H](C)N[C@H](C)c2ncc(Br)cc2F)cc1 ZINC000186917068 568009198 /nfs/dbraw/zinc/00/91/98/568009198.db2.gz VBYKOIBINRQXQP-VXGBXAGGSA-N 0 0 351.263 4.957 10 0 FJAERN CCn1ccnc1CN1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012301363 568116273 /nfs/dbraw/zinc/11/62/73/568116273.db2.gz KHIDPFQVOGZRDK-QFIPXVFZSA-N 0 0 373.500 4.665 10 0 FJAERN CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000093076184 568663012 /nfs/dbraw/zinc/66/30/12/568663012.db2.gz NWCPJZCWVZDJNI-QMMMGPOBSA-N 0 0 357.262 4.504 10 0 FJAERN Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nccs1 ZINC000023506431 570540610 /nfs/dbraw/zinc/54/06/10/570540610.db2.gz APMFRXUJBWPZPO-OAQYLSRUSA-N 0 0 363.461 4.911 10 0 FJAERN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)/C=C/c2ccccc2)o1 ZINC000034914906 570562870 /nfs/dbraw/zinc/56/28/70/570562870.db2.gz WTCMMIQDTNMRBH-JLHYYAGUSA-N 0 0 357.413 4.863 10 0 FJAERN CCC(CC)C(=O)NCc1nc2ccc(Cl)cc2c(NC2CCCC2)n1 ZINC000011880871 570598478 /nfs/dbraw/zinc/59/84/78/570598478.db2.gz FNPNDMBZKNMHIZ-UHFFFAOYSA-N 0 0 374.916 4.690 10 0 FJAERN Cc1ccsc1C(=O)N1CCC(CCOCc2cccc(F)c2)CC1 ZINC000065180403 570818127 /nfs/dbraw/zinc/81/81/27/570818127.db2.gz OSRKZEUGUPZGLV-UHFFFAOYSA-N 0 0 361.482 4.655 10 0 FJAERN Cc1ccc(NC(=O)c2cccc(NC(=O)/C=C\c3ccco3)c2)cc1C ZINC000033455663 571065529 /nfs/dbraw/zinc/06/55/29/571065529.db2.gz QNTRCCZGGDFCKC-KHPPLWFESA-N 0 0 360.413 4.801 10 0 FJAERN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccsc2n1Cc1cccc(F)c1 ZINC000035843872 571078964 /nfs/dbraw/zinc/07/89/64/571078964.db2.gz WFHGZGILZWRAKX-JCKWVBRZSA-N 0 0 368.477 4.809 10 0 FJAERN Brc1ccc2nc(-c3cncc(Br)c3)sc2c1 ZINC000073638653 571109304 /nfs/dbraw/zinc/10/93/04/571109304.db2.gz MTLMVRIXHFPXKW-UHFFFAOYSA-N 0 0 370.069 4.883 10 0 FJAERN CC(C)(C)NC(=O)c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1 ZINC000033130933 571157729 /nfs/dbraw/zinc/15/77/29/571157729.db2.gz UVCUSRNBMBMMOC-UHFFFAOYSA-N 0 0 365.408 4.603 10 0 FJAERN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1Cc1ccco1 ZINC000006242929 571204581 /nfs/dbraw/zinc/20/45/81/571204581.db2.gz AEHYGFLIQHNINW-UHFFFAOYSA-N 0 0 364.999 4.689 10 0 FJAERN CCc1cccc(OCc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)c1 ZINC000036084131 571240336 /nfs/dbraw/zinc/24/03/36/571240336.db2.gz ZSNWHLKWPOPIOM-HNNXBMFYSA-N 0 0 366.486 4.776 10 0 FJAERN C[C@@H]1CCc2c3c(nc(-c4ccccc4)c2C1)[nH]n(-c1ccccc1)c3=O ZINC000170622715 571269005 /nfs/dbraw/zinc/26/90/05/571269005.db2.gz RLZOOPPACNHOTG-OAHLLOKOSA-N 0 0 355.441 4.506 10 0 FJAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)cc3)oc21 ZINC000226270726 571276161 /nfs/dbraw/zinc/27/61/61/571276161.db2.gz CWIBBPDZKQFQIN-UHFFFAOYSA-N 0 0 354.715 4.957 10 0 FJAERN Cc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2C)c1 ZINC000226287896 571276431 /nfs/dbraw/zinc/27/64/31/571276431.db2.gz VQIFNPVXRFXSJG-UHFFFAOYSA-N 0 0 356.425 4.716 10 0 FJAERN COc1ccc2nc(NC(=O)CCCOc3cc(C)ccc3C)sc2c1 ZINC000028284371 571338917 /nfs/dbraw/zinc/33/89/17/571338917.db2.gz XGFQIQSFXAKRDI-UHFFFAOYSA-N 0 0 370.474 4.719 10 0 FJAERN O=C(c1sc(Cl)nc1C(F)(F)F)c1cccc(Br)c1 ZINC000217010554 222669706 /nfs/dbraw/zinc/66/97/06/222669706.db2.gz LTTIAWQZZWQRLZ-UHFFFAOYSA-N 0 0 370.577 4.809 10 0 FJAERN CC(=C/c1ccccc1)/C=C1\SC(=S)N(Nc2ccccc2)C1=O ZINC000001251572 219393122 /nfs/dbraw/zinc/39/31/22/219393122.db2.gz MGWORHWJUVDHKT-PNKQLNASSA-N 0 0 352.484 4.861 10 0 FJAERN Cc1nc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)sc1C ZINC000001946019 219423546 /nfs/dbraw/zinc/42/35/46/219423546.db2.gz OYDOZBVUFUMURM-JLHYYAGUSA-N 0 0 364.470 4.991 10 0 FJAERN CCCCOc1cccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)c1 ZINC000226267936 222883591 /nfs/dbraw/zinc/88/35/91/222883591.db2.gz FPIUMGSPCPHFHO-UHFFFAOYSA-N 0 0 355.482 4.546 10 0 FJAERN CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000226332268 222884869 /nfs/dbraw/zinc/88/48/69/222884869.db2.gz SZDWSHSSFVSXPH-PKNBQFBNSA-N 0 0 361.235 4.604 10 0 FJAERN CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000226336693 222884902 /nfs/dbraw/zinc/88/49/02/222884902.db2.gz FYYGQFNQOJDCHL-WEVVVXLNSA-N 0 0 364.800 4.643 10 0 FJAERN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)nc1 ZINC000004063052 219537854 /nfs/dbraw/zinc/53/78/54/219537854.db2.gz MRZYERGMRBGJFM-UHFFFAOYSA-N 0 0 366.833 4.659 10 0 FJAERN Cc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000004536448 219583797 /nfs/dbraw/zinc/58/37/97/219583797.db2.gz JZGAAFUAOCCTMA-HXUWFJFHSA-N 0 0 369.511 4.585 10 0 FJAERN Cc1ccc(Nc2ccc(Cl)cc2C(N)=S)c(Br)c1 ZINC000104182087 209499575 /nfs/dbraw/zinc/49/95/75/209499575.db2.gz SFORNXOHBARRFC-UHFFFAOYSA-N 0 0 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SRGHMAAFSMYCJL-UHFFFAOYSA-N 0 0 371.234 4.852 10 0 FJAERN COc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3C)o2)cc1Cl ZINC000226765637 209368314 /nfs/dbraw/zinc/36/83/14/209368314.db2.gz ZDNKAFMWSFPNQQ-UHFFFAOYSA-N 0 0 356.809 4.752 10 0 FJAERN COc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(N)c3)o2)cc1Cl ZINC000226765588 209367835 /nfs/dbraw/zinc/36/78/35/209367835.db2.gz PJXFETZKRIEQGU-UHFFFAOYSA-N 0 0 356.809 4.752 10 0 FJAERN CCCn1c(C)c(CO)c2ccnc(NCc3c(CC)cccc3CC)c21 ZINC000146115231 209381189 /nfs/dbraw/zinc/38/11/89/209381189.db2.gz AEQDXIMNOSDXAA-UHFFFAOYSA-N 0 0 365.521 4.984 10 0 FJAERN O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000108859430 209293022 /nfs/dbraw/zinc/29/30/22/209293022.db2.gz YPICZOBOKPQCPW-SFHVURJKSA-N 0 0 368.889 4.810 10 0 FJAERN CC(C)COc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1 ZINC000010156095 219895620 /nfs/dbraw/zinc/89/56/20/219895620.db2.gz IJCFXIUVTYOAMW-IBGZPJMESA-N 0 0 369.461 4.532 10 0 FJAERN C[C@@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1Cl ZINC000105591605 209267226 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COc1cccc2sc3nc(-c4cccc(Br)c4)cn3c21 ZINC000040964664 208276459 /nfs/dbraw/zinc/27/64/59/208276459.db2.gz GHIGDZOSEJGDMF-UHFFFAOYSA-N 0 0 359.248 4.987 10 0 FJAERN Cc1cc(C)c(C)c(OCC(=O)Nc2nc3c(ccc(C)c3C)s2)c1 ZINC000040965717 208277264 /nfs/dbraw/zinc/27/72/64/208277264.db2.gz PZHLRRYGGQOZKX-UHFFFAOYSA-N 0 0 354.475 4.856 10 0 FJAERN CCOc1ccccc1OC(=O)c1cc2cc(Br)ccc2o1 ZINC000041007427 208277850 /nfs/dbraw/zinc/27/78/50/208277850.db2.gz XHVYSQRLXYTYAB-UHFFFAOYSA-N 0 0 361.191 4.813 10 0 FJAERN Cc1ccc(OC(=O)CCc2ccc(Cl)cc2)c(Br)c1 ZINC000040995321 208278587 /nfs/dbraw/zinc/27/85/87/208278587.db2.gz SNRLDDLPJKNDTH-UHFFFAOYSA-N 0 0 353.643 4.949 10 0 FJAERN COc1cc(C(=O)Nc2ccnc3c2cccc3C(F)(F)F)ccc1C ZINC000041057673 208280155 /nfs/dbraw/zinc/28/01/55/208280155.db2.gz DLSDZSCITICRLN-UHFFFAOYSA-N 0 0 360.335 4.823 10 0 FJAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000040295930 208246444 /nfs/dbraw/zinc/24/64/44/208246444.db2.gz AVUDGYQOPNSLEI-UHFFFAOYSA-N 0 0 359.351 4.571 10 0 FJAERN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040306523 208247292 /nfs/dbraw/zinc/24/72/92/208247292.db2.gz SEDFMAVIQPVACM-UHFFFAOYSA-N 0 0 355.441 4.959 10 0 FJAERN COc1cccc(-c2nc3ccccc3n2CC(=O)Nc2ccccc2C)c1 ZINC000040306928 208247543 /nfs/dbraw/zinc/24/75/43/208247543.db2.gz BYBSASHATIQGHT-UHFFFAOYSA-N 0 0 371.440 4.659 10 0 FJAERN COCCCn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040402888 208250167 /nfs/dbraw/zinc/25/01/67/208250167.db2.gz UHXSVFWYZOHVLI-UHFFFAOYSA-N 0 0 365.260 4.959 10 0 FJAERN Cc1cc(C)cc(NC(=O)c2sc3nc(C)c4c(c3c2N)CCCC4)c1 ZINC000040568337 208257090 /nfs/dbraw/zinc/25/70/90/208257090.db2.gz PTUXHDZMHBBUKP-UHFFFAOYSA-N 0 0 365.502 4.935 10 0 FJAERN COc1ccc(C)cc1Nc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040684134 208260202 /nfs/dbraw/zinc/26/02/02/208260202.db2.gz ZIRZETDHFDGYSR-UHFFFAOYSA-N 0 0 369.856 4.825 10 0 FJAERN Cc1cc(C)cc(Nc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)c1 ZINC000040681910 208261125 /nfs/dbraw/zinc/26/11/25/208261125.db2.gz PWIAUZCTBFANDT-UHFFFAOYSA-N 0 0 363.509 4.800 10 0 FJAERN COc1ccc(C)cc1Nc1ncnc(Oc2ccc(Cl)c(C)c2)c1N ZINC000040684462 208261710 /nfs/dbraw/zinc/26/17/10/208261710.db2.gz HWOUEDBWBBNMMI-UHFFFAOYSA-N 0 0 370.840 4.874 10 0 FJAERN Nc1c(NCc2ccccc2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040709278 208262363 /nfs/dbraw/zinc/26/23/63/208262363.db2.gz XWYGYSBGXQZFIB-UHFFFAOYSA-N 0 0 360.248 4.721 10 0 FJAERN Cc1ccc(C)c(Nc2ncnc(Oc3cccc4cccnc43)c2N)c1 ZINC000040704446 208262697 /nfs/dbraw/zinc/26/26/97/208262697.db2.gz FSBPXXYADIAKMU-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N ZINC000040703272 208263631 /nfs/dbraw/zinc/26/36/31/208263631.db2.gz HQJYNMLJQXSCEO-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN CCN(c1cccc2ccccc21)c1ncnc(Nc2cccnc2)c1N ZINC000040701983 208264002 /nfs/dbraw/zinc/26/40/02/208264002.db2.gz CWCKCNGGTNZWSM-UHFFFAOYSA-N 0 0 356.433 4.509 10 0 FJAERN Cc1cccnc1Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700955 208264140 /nfs/dbraw/zinc/26/41/40/208264140.db2.gz ISBMBCFULPJCCB-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN CC(C)c1ccc(Oc2ncnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040727599 208266204 /nfs/dbraw/zinc/26/62/04/208266204.db2.gz AFLOORKSORYOCB-UHFFFAOYSA-N 0 0 355.829 4.767 10 0 FJAERN Cc1ccc(Oc2ncnc(Nc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040758700 208267153 /nfs/dbraw/zinc/26/71/53/208267153.db2.gz JKSZISROLKLXJA-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Cc1ccc(Oc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 ZINC000040755791 208267181 /nfs/dbraw/zinc/26/71/81/208267181.db2.gz DDFBERRZFNQUGS-UHFFFAOYSA-N 0 0 350.466 4.540 10 0 FJAERN Nc1c(Nc2ccccc2F)ncnc1Nc1cccc(Cl)c1Cl ZINC000040759132 208267219 /nfs/dbraw/zinc/26/72/19/208267219.db2.gz XQMUCFUUXPKAMM-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040778166 208267978 /nfs/dbraw/zinc/26/79/78/208267978.db2.gz OFYFDXHIKMPDMR-UHFFFAOYSA-N 0 0 364.211 4.992 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3cccc4ncccc43)c2N)c(C)c1 ZINC000040755499 208268593 /nfs/dbraw/zinc/26/85/93/208268593.db2.gz XJGFPLFAUUHKEY-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN Cc1ccc(C)c(OCC(=O)Nc2ccnc3ccc(C(F)(F)F)cc32)c1 ZINC000041057234 208280492 /nfs/dbraw/zinc/28/04/92/208280492.db2.gz FLSNNEVGBOVMRC-UHFFFAOYSA-N 0 0 374.362 4.888 10 0 FJAERN Nc1cc(F)ccc1Nc1ccc(Br)cc1Br ZINC000042598475 208293436 /nfs/dbraw/zinc/29/34/36/208293436.db2.gz GZMKUVLEIINLEO-UHFFFAOYSA-N 0 0 360.024 4.677 10 0 FJAERN CCc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000045948780 208341457 /nfs/dbraw/zinc/34/14/57/208341457.db2.gz PLXWERHOEZXMFP-KRWDZBQOSA-N 0 0 372.468 4.992 10 0 FJAERN COc1ccc([C@@H](C)Nc2ccc(Br)c(C)c2)cc1OC ZINC000019908157 220304371 /nfs/dbraw/zinc/30/43/71/220304371.db2.gz LJGMVVCJPFFREQ-GFCCVEGCSA-N 0 0 350.256 4.948 10 0 FJAERN C[C@@H](Nc1ccc(I)cc1)c1c(F)cccc1F ZINC000020477738 220327675 /nfs/dbraw/zinc/32/76/75/220327675.db2.gz XPODKZQZNQPRKU-SECBINFHSA-N 0 0 359.157 4.743 10 0 FJAERN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000014981123 208591155 /nfs/dbraw/zinc/59/11/55/208591155.db2.gz XJOOXSMYLNHWQC-RBUKOAKNSA-N 0 0 372.399 4.920 10 0 FJAERN CCCCN(C)C(=O)c1sc(-c2cn(C(C)C)c3ncccc23)nc1C ZINC000065240948 208650363 /nfs/dbraw/zinc/65/03/63/208650363.db2.gz YPHBSFSIGOVIOK-UHFFFAOYSA-N 0 0 370.522 4.921 10 0 FJAERN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000021141797 220353033 /nfs/dbraw/zinc/35/30/33/220353033.db2.gz RRPWDHXHZROOCB-INIZCTEOSA-N 0 0 371.440 4.944 10 0 FJAERN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1OCC ZINC000072022228 208792789 /nfs/dbraw/zinc/79/27/89/208792789.db2.gz UMRKUUPDTPWPRN-GFCCVEGCSA-N 0 0 365.832 4.768 10 0 FJAERN C/C=C/C(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023305553 220423688 /nfs/dbraw/zinc/42/36/88/220423688.db2.gz UTFGIELDYPCHRX-QHHAFSJGSA-N 0 0 363.436 4.582 10 0 FJAERN O=C(Nc1ccccc1F)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450721 208865692 /nfs/dbraw/zinc/86/56/92/208865692.db2.gz FGZLOOOMXBQKTM-UHFFFAOYSA-N 0 0 358.372 4.587 10 0 FJAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)[nH]2)cc1 ZINC000072451062 208866250 /nfs/dbraw/zinc/86/62/50/208866250.db2.gz KQISCCWOFAIEOJ-UHFFFAOYSA-N 0 0 373.239 4.909 10 0 FJAERN Brc1c(COc2cccc3ccccc32)nc2ccccn21 ZINC000026532382 220516299 /nfs/dbraw/zinc/51/62/99/220516299.db2.gz XPFBZMHDMGIEJI-UHFFFAOYSA-N 0 0 353.219 4.829 10 0 FJAERN CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc21 ZINC000027980862 220555317 /nfs/dbraw/zinc/55/53/17/220555317.db2.gz DFKJVTIUZUOONG-UHFFFAOYSA-N 0 0 352.434 4.548 10 0 FJAERN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(-c2ccccc2)cc1 ZINC000028303710 220571653 /nfs/dbraw/zinc/57/16/53/220571653.db2.gz ZXYCSYGDWKTCMF-UHFFFAOYSA-N 0 0 371.415 4.990 10 0 FJAERN Cc1cccc(C(C)C)c1NC(=O)Cn1c(=O)cc(C)c2cccc(C)c21 ZINC000032530492 220663708 /nfs/dbraw/zinc/66/37/08/220663708.db2.gz JNAKIKSVDSBRQQ-UHFFFAOYSA-N 0 0 362.473 4.689 10 0 FJAERN COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000032610130 220667343 /nfs/dbraw/zinc/66/73/43/220667343.db2.gz CURFHYLBYFSQGB-RYUDHWBXSA-N 0 0 368.260 4.647 10 0 FJAERN CC(C)NC(=O)c1cnc(-c2ccccc2)nc1Oc1ccccc1Cl ZINC000035987249 220796316 /nfs/dbraw/zinc/79/63/16/220796316.db2.gz VVMYMBLBKRZWHV-UHFFFAOYSA-N 0 0 367.836 4.728 10 0 FJAERN CCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)CC ZINC000036105112 220803477 /nfs/dbraw/zinc/80/34/77/220803477.db2.gz GADDDFWIIPRGIG-UHFFFAOYSA-N 0 0 360.523 4.994 10 0 FJAERN CCCCC(=O)Nc1nc(C)c(Cc2cccc(Br)c2)s1 ZINC000036639215 220823912 /nfs/dbraw/zinc/82/39/12/220823912.db2.gz DBDXNMFBCPIGFI-UHFFFAOYSA-N 0 0 367.312 4.934 10 0 FJAERN CC[C@@H](Oc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccccc1 ZINC000039614750 220864560 /nfs/dbraw/zinc/86/45/60/220864560.db2.gz UKHHXMGOQLIZJH-MRXNPFEDSA-N 0 0 371.786 4.833 10 0 FJAERN CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(C(=O)CC(C)C)c1ccccc1 ZINC000038806851 220857887 /nfs/dbraw/zinc/85/78/87/220857887.db2.gz AUDJNGAUKCPYCL-IBGZPJMESA-N 0 0 374.431 4.761 10 0 FJAERN COc1cccc2c(C)cc(SCC(=O)Nc3cc(C)ccc3C)nc12 ZINC000040167459 220893524 /nfs/dbraw/zinc/89/35/24/220893524.db2.gz CHRGMPJANSDDIB-UHFFFAOYSA-N 0 0 366.486 4.899 10 0 FJAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)cc1C ZINC000040306525 220899963 /nfs/dbraw/zinc/89/99/63/220899963.db2.gz YODAQBNILKIYQW-UHFFFAOYSA-N 0 0 355.441 4.959 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)cc1C ZINC000040702990 220917018 /nfs/dbraw/zinc/91/70/18/220917018.db2.gz JGEFSEMGCBNONR-UHFFFAOYSA-N 0 0 357.820 4.955 10 0 FJAERN CCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(CC)s1 ZINC000041011270 220927374 /nfs/dbraw/zinc/92/73/74/220927374.db2.gz YPWKUIPOJDSBMB-UHFFFAOYSA-N 0 0 353.285 4.874 10 0 FJAERN CCOc1cccc2sc(NCC(=O)c3ccc(OC(C)C)cc3)nc21 ZINC000040980049 220927824 /nfs/dbraw/zinc/92/78/24/220927824.db2.gz RDWHTDFLBRFAGP-UHFFFAOYSA-N 0 0 370.474 4.777 10 0 FJAERN Cc1ccc2nc(Nc3cccc(I)c3)sc2c1 ZINC000095081917 209018758 /nfs/dbraw/zinc/01/87/58/209018758.db2.gz ULGLVLMVZQGFBC-UHFFFAOYSA-N 0 0 366.227 4.953 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nc3ccccc3s2)C1 ZINC000095085175 209020424 /nfs/dbraw/zinc/02/04/24/209020424.db2.gz RUQRAFGSBPAXDT-AWEZNQCLSA-N 0 0 362.495 4.712 10 0 FJAERN C[C@@H](OCCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1nccs1 ZINC000095089544 209021355 /nfs/dbraw/zinc/02/13/55/209021355.db2.gz DVQCNJCCSNTOLZ-CABCVRRESA-N 0 0 354.516 4.648 10 0 FJAERN C[C@@H](Nc1ncccc1Br)c1cccc(Br)c1 ZINC000048759341 221014845 /nfs/dbraw/zinc/01/48/45/221014845.db2.gz HEXAKFINKLYVMI-SECBINFHSA-N 0 0 356.061 4.780 10 0 FJAERN C[C@H](Cc1cccc(Cl)c1)NC(=O)c1sccc1Br ZINC000048238712 221003116 /nfs/dbraw/zinc/00/31/16/221003116.db2.gz DYWPUMIGEVVBKI-SECBINFHSA-N 0 0 358.688 4.525 10 0 FJAERN Brc1cnc2c(Br)ccc(Br)c2c1 ZINC000055168926 221061705 /nfs/dbraw/zinc/06/17/05/221061705.db2.gz UOQXRSJEDNCFQP-UHFFFAOYSA-N 0 0 365.850 4.522 10 0 FJAERN Nc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000053993901 221049054 /nfs/dbraw/zinc/04/90/54/221049054.db2.gz KDZDXRGTYYJJAY-UHFFFAOYSA-N 0 0 365.614 4.683 10 0 FJAERN CCOC(=O)c1cccc(NC(=O)c2oc3ccc(CC)cc3c2C)c1 ZINC000054644763 221054111 /nfs/dbraw/zinc/05/41/11/221054111.db2.gz WHRAENBQTIZDQO-UHFFFAOYSA-N 0 0 351.402 4.733 10 0 FJAERN Clc1nc2sccn2c1CN(Cc1ccsc1)Cc1ccco1 ZINC000055393009 221068250 /nfs/dbraw/zinc/06/82/50/221068250.db2.gz GOVQONHAAKIBDC-UHFFFAOYSA-N 0 0 363.895 4.906 10 0 FJAERN Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)[C@@H](C)c1ccncn1 ZINC000059866632 221127743 /nfs/dbraw/zinc/12/77/43/221127743.db2.gz ANKNNVSMQYNMCS-HNNXBMFYSA-N 0 0 358.445 4.786 10 0 FJAERN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)c2cccc(C)c2)cc1 ZINC000064887902 221155175 /nfs/dbraw/zinc/15/51/75/221155175.db2.gz ILPRTZPUPLZGEK-UHFFFAOYSA-N 0 0 369.468 4.750 10 0 FJAERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@H]3CC[C@]12C ZINC000065748362 221235800 /nfs/dbraw/zinc/23/58/00/221235800.db2.gz RKXZAKLFWUEYOB-RHDNAEHESA-N 0 0 370.489 4.991 10 0 in-vitro FJAERN CC[S@](=O)c1ccc(-c2coc3ccc(-c4nnc(C)o4)cc23)cc1 ZINC000068198782 221314628 /nfs/dbraw/zinc/31/46/28/221314628.db2.gz UIDBDVDOKGXDOB-RUZDIDTESA-N 0 0 352.415 4.586 10 0 FJAERN CC(C)c1ccc(COc2ccc(I)cc2)cc1 ZINC000070136183 221331339 /nfs/dbraw/zinc/33/13/39/221331339.db2.gz BUHVHAPZRKIJHU-UHFFFAOYSA-N 0 0 352.215 4.994 10 0 FJAERN O=C(c1cc(Br)ccc1Cl)N(Cc1ccccc1)C1CC1 ZINC000070140075 221331741 /nfs/dbraw/zinc/33/17/41/221331741.db2.gz XWGFHCLNBVPQKI-UHFFFAOYSA-N 0 0 364.670 4.907 10 0 FJAERN C[C@@H](Sc1ccccc1Br)C(=O)N[C@@H](C)c1ccccc1 ZINC000071843724 221381550 /nfs/dbraw/zinc/38/15/50/221381550.db2.gz PAYQIXXOAXBUES-QWHCGFSZSA-N 0 0 364.308 4.807 10 0 FJAERN COc1ccc(CNc2nc(Nc3ccccc3O)nc3ccccc32)cc1 ZINC000072260698 221455700 /nfs/dbraw/zinc/45/57/00/221455700.db2.gz HOEVZXROIMWRFL-UHFFFAOYSA-N 0 0 372.428 4.700 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1[C@H](C)CCC[C@@H]1C ZINC000226330007 132250285 /nfs/dbraw/zinc/25/02/85/132250285.db2.gz GUFDPWJUXXLYLN-GASCZTMLSA-N 0 0 355.457 4.736 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCC(C)CC1 ZINC000226330430 132250334 /nfs/dbraw/zinc/25/03/34/132250334.db2.gz SMGGSZURUUXGII-UHFFFAOYSA-N 0 0 357.885 4.719 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCC[C@H](C)C1 ZINC000226330461 132250519 /nfs/dbraw/zinc/25/05/19/132250519.db2.gz FSNKMFRTSAEAFI-ZDUSSCGKSA-N 0 0 357.885 4.719 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1[C@@H](C)CCC[C@@H]1C ZINC000226330362 132250541 /nfs/dbraw/zinc/25/05/41/132250541.db2.gz WLDRYEIACHYWAP-GJZGRUSLSA-N 0 0 355.457 4.736 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCC[C@H](C)C1 ZINC000226330136 132250608 /nfs/dbraw/zinc/25/06/08/132250608.db2.gz VXASWLLESODAMG-ZDUSSCGKSA-N 0 0 357.885 4.719 10 0 FJAERN O=C1CCN(c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073679013 132376720 /nfs/dbraw/zinc/37/67/20/132376720.db2.gz YXMUGSOHGBRGEV-UHFFFAOYSA-N 0 0 363.848 4.633 10 0 FJAERN O=C(Cn1c2ccccc2nc1-c1ccccc1)N1CCCc2ccccc21 ZINC000040239427 136119566 /nfs/dbraw/zinc/11/95/66/136119566.db2.gz BJSNTEKORBQRNU-UHFFFAOYSA-N 0 0 367.452 4.683 10 0 FJAERN Clc1ccccc1CNc1nc(N2CCCCC2)nc2ccccc21 ZINC000072260561 136143982 /nfs/dbraw/zinc/14/39/82/136143982.db2.gz AHUJOUNDLYTREN-UHFFFAOYSA-N 0 0 352.869 4.886 10 0 FJAERN CCCCc1ccc(-c2nc(Br)c(C(=O)OC)s2)cc1 ZINC000095936208 209086094 /nfs/dbraw/zinc/08/60/94/209086094.db2.gz LJBIZLRDBPQRHL-UHFFFAOYSA-N 0 0 354.269 4.702 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@]12CCc1ccc(Br)cc12 ZINC000095931229 209086266 /nfs/dbraw/zinc/08/62/66/209086266.db2.gz NZXJVFMPSFWZPT-QGZVFWFLSA-N 0 0 352.272 4.622 10 0 FJAERN Cc1ccc(-c2ncc(C(=O)N[C@H](C)CCc3ccccc3)c(C)n2)cc1 ZINC000075351579 221579300 /nfs/dbraw/zinc/57/93/00/221579300.db2.gz IZFXHMIEFVIWQS-QGZVFWFLSA-N 0 0 359.473 4.512 10 0 FJAERN COc1ccc(C=C2SC(=S)NC2=O)cc1OCc1ccc(C)cc1 ZINC000096438154 222119742 /nfs/dbraw/zinc/11/97/42/222119742.db2.gz HXNYAPUSDBLEIN-YVLHZVERSA-N 0 0 371.483 4.912 10 0 FJAERN Cc1nc(C(C)C)nc(/C=C/c2ccccc2)c1I ZINC000098178008 222230586 /nfs/dbraw/zinc/23/05/86/222230586.db2.gz DHSFWAMZEKEQCU-MDZDMXLPSA-N 0 0 364.230 4.683 10 0 FJAERN Clc1c2cccc(I)c2nc2c1CCCCC2 ZINC000103947735 222346696 /nfs/dbraw/zinc/34/66/96/222346696.db2.gz TXXWQXMJRZRHIQ-UHFFFAOYSA-N 0 0 357.622 4.762 10 0 FJAERN Cc1cc(Br)ccc1[C@@H](O)Cc1cccc(Br)c1 ZINC000104182136 222353191 /nfs/dbraw/zinc/35/31/91/222353191.db2.gz VXNZUHSXKMJOHS-HNNXBMFYSA-N 0 0 370.084 4.796 10 0 FJAERN Cc1c(C(=O)NC2CCC(C)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000105565214 222371242 /nfs/dbraw/zinc/37/12/42/222371242.db2.gz ULDIYMRGLCAVLI-UHFFFAOYSA-N 0 0 365.399 4.508 10 0 FJAERN O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000105627625 222371827 /nfs/dbraw/zinc/37/18/27/222371827.db2.gz XRDBUQWYAAEVRN-QGZVFWFLSA-N 0 0 372.490 4.917 10 0 FJAERN CCN(C(=O)c1cc(C)nc2cc(F)ccc21)[C@H](C)c1cccc(OC)c1 ZINC000105985703 222380665 /nfs/dbraw/zinc/38/06/65/222380665.db2.gz GCOGWSVLOXMDRL-OAHLLOKOSA-N 0 0 366.436 4.914 10 0 FJAERN C[C@@H](NC(=O)N(C)[C@@H](C)c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000126900233 222533946 /nfs/dbraw/zinc/53/39/46/222533946.db2.gz ZVRMZLWEBGLKSQ-NEPJUHHUSA-N 0 0 352.265 4.852 10 0 FJAERN COc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1Br ZINC000007122239 263349014 /nfs/dbraw/zinc/34/90/14/263349014.db2.gz CWERZTLHVBGVFL-OAHLLOKOSA-N 0 0 368.296 4.646 10 0 FJAERN Cc1ccc(OCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000020367974 525425181 /nfs/dbraw/zinc/42/51/81/525425181.db2.gz OZCKTLCOJCXXMR-ATVHPVEESA-N 0 0 371.483 4.782 10 0 FJAERN C[C@H](c1ccncn1)n1cnc(-c2ccccc2)c1COCc1ccccc1 ZINC000065508751 526160974 /nfs/dbraw/zinc/16/09/74/526160974.db2.gz FCAPTVSOCPQXJO-GOSISDBHSA-N 0 0 370.456 4.666 10 0 FJAERN O=C(NCCc1ccccc1Oc1ccccc1)c1cc(Cl)ccc1O ZINC000090485160 526432759 /nfs/dbraw/zinc/43/27/59/526432759.db2.gz OSZZOICELZBUIA-UHFFFAOYSA-N 0 0 367.832 4.810 10 0 FJAERN Cc1oc(-c2ccoc2)nc1CN(C)Cc1cccc(C(F)(F)F)c1 ZINC000020256807 526749207 /nfs/dbraw/zinc/74/92/07/526749207.db2.gz NTBBZTGWPDTURZ-UHFFFAOYSA-N 0 0 350.340 4.894 10 0 FJAERN Cc1nc([C@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(C)s1 ZINC000020998344 527058265 /nfs/dbraw/zinc/05/82/65/527058265.db2.gz XBRAESBIXMAYPR-JTQLQIEISA-N 0 0 362.886 4.656 10 0 FJAERN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 ZINC000226267374 535031874 /nfs/dbraw/zinc/03/18/74/535031874.db2.gz ZWEBPYVMJCTXND-INIZCTEOSA-N 0 0 367.493 4.687 10 0 FJAERN CC1(C)Cc2occc2[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)C1 ZINC000188595096 567979786 /nfs/dbraw/zinc/97/97/86/567979786.db2.gz ZOTXWYKPAWDOEQ-GOSISDBHSA-N 0 0 362.477 4.534 10 0 FJAERN Cc1cccc2c1[C@@H](C)C[C@@H]2Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000188595933 567980636 /nfs/dbraw/zinc/98/06/36/567980636.db2.gz UJUWCCHMKMIRHU-JXFKEZNVSA-N 0 0 358.489 4.784 10 0 FJAERN CCc1ccc([C@H]2CCCCN2C(=O)CCCc2nc(C(C)(C)C)no2)o1 ZINC000128557513 567980969 /nfs/dbraw/zinc/98/09/69/567980969.db2.gz ORUUPFNCDGFSOY-MRXNPFEDSA-N 0 0 373.497 4.599 10 0 FJAERN CCc1ccc([C@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)s1 ZINC000188607268 567987442 /nfs/dbraw/zinc/98/74/42/567987442.db2.gz RSXYMGOOMBQHIJ-AWEZNQCLSA-N 0 0 352.507 4.612 10 0 FJAERN CC(=O)O[C@@H]1C[C@H](O)/C(C)=C\CC/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 ZINC000604381233 568286759 /nfs/dbraw/zinc/28/67/59/568286759.db2.gz CYYUWGMNGVIXIX-AKOIDCJTSA-N 0 0 364.526 4.710 10 0 FJAERN C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1cccc(Cl)c1 ZINC000021403155 568611685 /nfs/dbraw/zinc/61/16/85/568611685.db2.gz RGUJRCJSWRIMSZ-AWEZNQCLSA-N 0 0 354.837 4.805 10 0 FJAERN COc1cccc(SCc2csc(Cc3ccc4c(c3)OCO4)n2)c1 ZINC000023309489 570484163 /nfs/dbraw/zinc/48/41/63/570484163.db2.gz SEYPNBBKIGOXIU-UHFFFAOYSA-N 0 0 371.483 4.764 10 0 FJAERN Cc1cccc(NC(=O)c2ccc(OC(=S)N3CCCCC3)cc2)c1C ZINC000003087766 570551401 /nfs/dbraw/zinc/55/14/01/570551401.db2.gz INRJQVTYRJVMLF-UHFFFAOYSA-N 0 0 368.502 4.705 10 0 FJAERN Cc1cc(C)n(Cc2ccc(F)c(F)c2)c1C(=O)NCc1ccc(F)cc1 ZINC000004930923 570561930 /nfs/dbraw/zinc/56/19/30/570561930.db2.gz CNHODDVFSFSYHD-UHFFFAOYSA-N 0 0 372.390 4.501 10 0 FJAERN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2nccc3sccc32)C1 ZINC000033299676 571133901 /nfs/dbraw/zinc/13/39/01/571133901.db2.gz NCLYFVQZSNEUHY-QGZVFWFLSA-N 0 0 369.534 4.519 10 0 FJAERN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)NC[C@H]2CCCO2)cc1 ZINC000075343545 571161799 /nfs/dbraw/zinc/16/17/99/571161799.db2.gz KYPCAEVAJAIZOQ-QGZVFWFLSA-N 0 0 363.461 4.698 10 0 FJAERN Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1ccc(Cl)cc1 ZINC000224340192 571201157 /nfs/dbraw/zinc/20/11/57/571201157.db2.gz FUEJRBYNQLHASY-UHFFFAOYSA-N 0 0 353.809 4.791 10 0 FJAERN COc1ccc2cc(CN(C)Cc3ccno3)c(-c3cccc(C)c3)nc2c1 ZINC000072462694 571217225 /nfs/dbraw/zinc/21/72/25/571217225.db2.gz VLQIRDYEGJGTPL-UHFFFAOYSA-N 0 0 373.456 4.839 10 0 FJAERN COc1ccccc1CN1CCCn2cccc2[C@@H]1c1ccccc1F ZINC000036347829 571249059 /nfs/dbraw/zinc/24/90/59/571249059.db2.gz MDZWJKLDGBLPOV-QFIPXVFZSA-N 0 0 350.437 4.631 10 0 FJAERN CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000226261277 571275940 /nfs/dbraw/zinc/27/59/40/571275940.db2.gz NVNAJTJSNOZBFS-UHFFFAOYSA-N 0 0 352.265 4.674 10 0 FJAERN CCCCOc1cccc(C(=O)Nc2cc(N)ccc2N(CC)CC)c1 ZINC000226261564 571275977 /nfs/dbraw/zinc/27/59/77/571275977.db2.gz FAWHSSXNBNAOCJ-UHFFFAOYSA-N 0 0 355.482 4.546 10 0 FJAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(Cc3ccc(Cl)cc3)oc21 ZINC000226271256 571276227 /nfs/dbraw/zinc/27/62/27/571276227.db2.gz IRJJJAHDZWSXTL-UHFFFAOYSA-N 0 0 368.742 4.881 10 0 FJAERN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3cccc(F)c3)oc2c(C)c1 ZINC000226282853 571276274 /nfs/dbraw/zinc/27/62/74/571276274.db2.gz GFQVZFRFYAVCID-UHFFFAOYSA-N 0 0 366.314 4.858 10 0 FJAERN CC1=CCC/C(C)=C/[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 ZINC000252695289 571292616 /nfs/dbraw/zinc/29/26/16/571292616.db2.gz XUVXBQLHPFQADG-OARJPNOMSA-N 0 0 358.478 4.627 10 0 FJAERN Cc1ccc(/C=C/C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000000935577 219341970 /nfs/dbraw/zinc/34/19/70/219341970.db2.gz ACAUWQRIQWOTJS-VOTSOKGWSA-N 0 0 365.285 4.828 10 0 FJAERN O=C(CCCc1ccccc1)Nc1nn(Cc2ccc(F)cc2)cc1Cl ZINC000032647736 209850640 /nfs/dbraw/zinc/85/06/40/209850640.db2.gz OAUKUEALJXPBLK-UHFFFAOYSA-N 0 0 371.843 4.685 10 0 FJAERN CCOC(=O)c1c(C)c(C)n(CC2CC2)c1NC(=O)c1ccc(Cl)cc1 ZINC000001047434 219358700 /nfs/dbraw/zinc/35/87/00/219358700.db2.gz ZADDWCIHRWBLQV-UHFFFAOYSA-N 0 0 374.868 4.597 10 0 FJAERN O=C(c1ccc(Cl)cc1)n1cc(-c2ccccc2)c(C(F)(F)F)n1 ZINC000001039613 219356504 /nfs/dbraw/zinc/35/65/04/219356504.db2.gz COJPHFXVOFBMOM-UHFFFAOYSA-N 0 0 350.727 4.911 10 0 FJAERN O=C1N=C(N2CCCC2)S/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000001123545 219373609 /nfs/dbraw/zinc/37/36/09/219373609.db2.gz XSPCKKUFBVAXNP-NBVRZTHBSA-N 0 0 350.443 4.545 10 0 FJAERN Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)n(Cc2ccc(C)cc2)n1 ZINC000001324170 219395072 /nfs/dbraw/zinc/39/50/72/219395072.db2.gz SHBOEIFKPQTXMJ-UHFFFAOYSA-N 0 0 373.378 4.819 10 0 FJAERN CCn1nc(C)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000028245375 209802311 /nfs/dbraw/zinc/80/23/11/209802311.db2.gz QUXOBIKIDOARDS-UHFFFAOYSA-N 0 0 354.262 4.985 10 0 FJAERN Cc1cccc(Cn2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000028235915 209799522 /nfs/dbraw/zinc/79/95/22/209799522.db2.gz IKOIEPWZRWVUFL-UHFFFAOYSA-N 0 0 374.366 4.903 10 0 FJAERN CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3ccc(C)cc3)n2)c1 ZINC000027929513 209784754 /nfs/dbraw/zinc/78/47/54/209784754.db2.gz DVBGKPVKNIKCBN-UHFFFAOYSA-N 0 0 371.893 4.867 10 0 FJAERN CC(C)CC(=O)Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 ZINC000027913987 209784216 /nfs/dbraw/zinc/78/42/16/209784216.db2.gz DIJYAADRTSDNBS-UHFFFAOYSA-N 0 0 355.438 4.996 10 0 FJAERN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)c1cccnc1Cl ZINC000002157144 219429095 /nfs/dbraw/zinc/42/90/95/219429095.db2.gz KXLDAIDDLUHIQB-UHFFFAOYSA-N 0 0 353.592 4.809 10 0 FJAERN COC(=O)c1sc(-c2ccc(OCc3ccccc3)cc2)c(C)c1N ZINC000002528665 219448546 /nfs/dbraw/zinc/44/85/46/219448546.db2.gz JPSCAWFUTRZOGH-UHFFFAOYSA-N 0 0 353.443 4.671 10 0 FJAERN Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)cc3)oc21 ZINC000226270533 222883199 /nfs/dbraw/zinc/88/31/99/222883199.db2.gz JZEPITNEHVNYLC-UHFFFAOYSA-N 0 0 368.742 4.982 10 0 FJAERN Cc1c(N)cccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000226365511 209369196 /nfs/dbraw/zinc/36/91/96/209369196.db2.gz QOJADKPASWSZCZ-UHFFFAOYSA-N 0 0 371.234 4.852 10 0 FJAERN COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000227147786 209368232 /nfs/dbraw/zinc/36/82/32/209368232.db2.gz MWNWFWFMPIXSIS-UHFFFAOYSA-N 0 0 356.809 4.752 10 0 FJAERN COC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Br)c1 ZINC000226333098 209367369 /nfs/dbraw/zinc/36/73/69/209367369.db2.gz JDGQDMXCPZRHHG-CSKARUKUSA-N 0 0 361.235 4.523 10 0 FJAERN Clc1ccc(Cc2nnc3sc(-c4ccccc4Cl)nn23)cc1 ZINC000226299975 209365921 /nfs/dbraw/zinc/36/59/21/209365921.db2.gz PAPIBOLEJQSTLT-UHFFFAOYSA-N 0 0 361.257 4.750 10 0 FJAERN Cc1cc(-n2cnnc2)cc2nc(C(c3ccccc3)c3ccccc3)oc21 ZINC000226235937 209365981 /nfs/dbraw/zinc/36/59/81/209365981.db2.gz IFIQQLPWVGBLRT-UHFFFAOYSA-N 0 0 366.424 4.897 10 0 FJAERN CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000009866073 219886352 /nfs/dbraw/zinc/88/63/52/219886352.db2.gz SRPHWVKVICFIJH-CABCVRRESA-N 0 0 354.450 4.565 10 0 FJAERN CC(C)Oc1ccccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 ZINC000010012481 219889372 /nfs/dbraw/zinc/88/93/72/219889372.db2.gz LJTMLZRJKFSXSN-UHFFFAOYSA-N 0 0 356.491 4.724 10 0 FJAERN CC(C)Oc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000010156278 219894987 /nfs/dbraw/zinc/89/49/87/219894987.db2.gz QJWJHNATXGJIHA-UHFFFAOYSA-N 0 0 370.518 4.898 10 0 FJAERN Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)c(C)n1Cc1cccs1 ZINC000105648755 209267294 /nfs/dbraw/zinc/26/72/94/209267294.db2.gz LSSLETILRKLQTE-OAQYLSRUSA-N 0 0 364.514 4.974 10 0 FJAERN Cc1ccc(CNc2ccc(I)cc2C)cc1F ZINC000104333470 209261799 /nfs/dbraw/zinc/26/17/99/209261799.db2.gz NLKJVRREDFLJJT-UHFFFAOYSA-N 0 0 355.194 4.659 10 0 FJAERN CCOC(=O)C[C@H](C)Nc1c(Cl)cc(Br)cc1Cl ZINC000104004482 209258675 /nfs/dbraw/zinc/25/86/75/209258675.db2.gz YNNKNLABMIPADE-ZETCQYMHSA-N 0 0 355.059 4.510 10 0 FJAERN CCNc1c2c(nc3c(Br)ccc(Br)c31)CCC2 ZINC000104001713 209257804 /nfs/dbraw/zinc/25/78/04/209257804.db2.gz DTIRLICVZBSPTL-UHFFFAOYSA-N 0 0 370.088 4.680 10 0 FJAERN Brc1ccc(OCCNc2ccccc2Br)cc1 ZINC000104000479 209256324 /nfs/dbraw/zinc/25/63/24/209256324.db2.gz VPJNFWKWCNWCNM-UHFFFAOYSA-N 0 0 371.072 4.703 10 0 FJAERN Cc1c(C(=O)OC(C)C)sc2ncnc(Nc3ccc(C)c(C)c3)c12 ZINC000012084677 219951370 /nfs/dbraw/zinc/95/13/70/219951370.db2.gz CKWBBRDZOUDHOT-UHFFFAOYSA-N 0 0 355.463 4.925 10 0 FJAERN CC(C)(C)OC(=O)N(c1nc(Br)cs1)c1ccccc1 ZINC000098177693 209206152 /nfs/dbraw/zinc/20/61/52/209206152.db2.gz GELHFRDXIOZDEC-UHFFFAOYSA-N 0 0 355.257 4.979 10 0 FJAERN Cc1ccc(C)n1-c1cccnc1-c1ccc(C(=O)NC2CCCC2)cc1 ZINC000013356327 220064389 /nfs/dbraw/zinc/06/43/89/220064389.db2.gz APZWPHWNQPUWTE-UHFFFAOYSA-N 0 0 359.473 4.829 10 0 FJAERN Fc1ccccc1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000013569013 220075202 /nfs/dbraw/zinc/07/52/02/220075202.db2.gz GITMJHKIQSTQBW-UHFFFAOYSA-N 0 0 357.432 4.971 10 0 FJAERN COc1ccc2nc(CN(Cc3ccccc3)Cc3ccncc3)ccc2c1 ZINC000013989247 220100111 /nfs/dbraw/zinc/10/01/11/220100111.db2.gz ILICUSGSAJPCSY-UHFFFAOYSA-N 0 0 369.468 4.841 10 0 FJAERN CC[C@H](C)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2c1ccccc1 ZINC000096080457 209110316 /nfs/dbraw/zinc/11/03/16/209110316.db2.gz DBLUYISISACZEZ-INIZCTEOSA-N 0 0 350.462 4.624 10 0 FJAERN CCn1ccnc1CN1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C)c1 ZINC000015066355 220144149 /nfs/dbraw/zinc/14/41/49/220144149.db2.gz HHFAOWYYTLVEAB-XMMPIXPASA-N 0 0 370.500 4.840 10 0 FJAERN CCOc1ccccc1NC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000015657288 220158336 /nfs/dbraw/zinc/15/83/36/220158336.db2.gz LDASIKUKXUARFJ-ACCUITESSA-N 0 0 355.434 4.533 10 0 FJAERN Cc1cc(C)n(-c2nnc(NC[C@@H](C)c3ccccc3)c3ccccc32)n1 ZINC000015777676 220163857 /nfs/dbraw/zinc/16/38/57/220163857.db2.gz QJRPWYJPJKVLOL-OAHLLOKOSA-N 0 0 357.461 4.648 10 0 FJAERN CC(C)=CC[C@@H]1[C@H](C2=NO[C@H](c3ccccc3)C2)CC[C@H]1C1OCCO1 ZINC000334161950 206752015 /nfs/dbraw/zinc/75/20/15/206752015.db2.gz HSLQKXUHWKOIRG-XCJLJZCSSA-N 0 0 355.478 4.876 10 0 FJAERN CCCCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccco1 ZINC000004882029 206801151 /nfs/dbraw/zinc/80/11/51/206801151.db2.gz GNLWIAUVEPNRFJ-UHFFFAOYSA-N 0 0 355.463 4.622 10 0 FJAERN O=C1O/C(=C\I)CC[C@@H]1c1cccc2ccccc21 ZINC000013589944 206804056 /nfs/dbraw/zinc/80/40/56/206804056.db2.gz ZJGPRRLHNMNINO-KUGGDMIFSA-N 0 0 364.182 4.537 10 0 FJAERN C[C@]12CC[C@@H]3c4ccc(O[C@@H]5CCCCO5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000004900441 207060260 /nfs/dbraw/zinc/06/02/60/207060260.db2.gz BOLMNLJKDBCJIB-AZZQQCEESA-N 0 0 356.506 4.809 10 0 FJAERN CCOc1ccc(-c2csc(NC(=O)c3ccccc3OCC)n2)cc1 ZINC000005653727 207110821 /nfs/dbraw/zinc/11/08/21/207110821.db2.gz GSIANSAXSUMSIX-UHFFFAOYSA-N 0 0 368.458 4.860 10 0 FJAERN C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000006119756 207131034 /nfs/dbraw/zinc/13/10/34/207131034.db2.gz MDOQKQXKDRLGGF-LLVKDONJSA-N 0 0 357.759 4.615 10 0 FJAERN COc1ccc(Nc2nc(/C=C(\C)NCc3ccc(F)cc3)ns2)cc1 ZINC000005909380 207122460 /nfs/dbraw/zinc/12/24/60/207122460.db2.gz YNPUDMRXBXSNDQ-ACCUITESSA-N 0 0 370.453 4.580 10 0 FJAERN Cc1ccc(C)c(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)c1 ZINC000007271048 207192901 /nfs/dbraw/zinc/19/29/01/207192901.db2.gz FJYFJQXGOBNDMI-UHFFFAOYSA-N 0 0 360.442 4.622 10 0 FJAERN COc1ccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787394 207249636 /nfs/dbraw/zinc/24/96/36/207249636.db2.gz WIVRDDGBEHGGIU-UHFFFAOYSA-N 0 0 362.404 4.930 10 0 FJAERN Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000036737575 207289258 /nfs/dbraw/zinc/28/92/58/207289258.db2.gz ANMWZGCNBHLNLZ-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN CCCCCCOc1ccc(C(=O)Nc2cccc(OCCOC)c2)cc1 ZINC000010155244 207295885 /nfs/dbraw/zinc/29/58/85/207295885.db2.gz KVEKUILMVSRWPR-UHFFFAOYSA-N 0 0 371.477 4.923 10 0 FJAERN COc1ccc(C(=O)N(Cc2ccc(OCC3CCC3)cc2)C2CC2)cc1 ZINC000011983151 207332045 /nfs/dbraw/zinc/33/20/45/207332045.db2.gz BOBNAGFXVVTPSK-UHFFFAOYSA-N 0 0 365.473 4.679 10 0 FJAERN Cc1nc(Oc2ccc(Br)cc2C=O)cc(-c2ccccc2)n1 ZINC000011849520 207324966 /nfs/dbraw/zinc/32/49/66/207324966.db2.gz MZWPUNYKRHBEQR-UHFFFAOYSA-N 0 0 369.218 4.819 10 0 FJAERN C[C@@H](Nc1cccc(Cn2ccnc2)c1)c1ccc(Br)s1 ZINC000038003110 207798210 /nfs/dbraw/zinc/79/82/10/207798210.db2.gz XEMGWOVKDKXMOZ-GFCCVEGCSA-N 0 0 362.296 4.929 10 0 FJAERN Cc1ccc(C)c(NC(=O)CCn2c(=O)cc(C)c3cc(C)cc(C)c32)c1 ZINC000032527340 208030030 /nfs/dbraw/zinc/03/00/30/208030030.db2.gz IWJXKOIEFASRQI-UHFFFAOYSA-N 0 0 362.473 4.572 10 0 FJAERN Cc1ccc(C(=O)Nc2cc(C)nc3ccc(Br)cc32)cc1 ZINC000032605684 208033360 /nfs/dbraw/zinc/03/33/60/208033360.db2.gz HIUDWMIIQBUPCF-UHFFFAOYSA-N 0 0 355.235 4.866 10 0 FJAERN Cc1cccc(NC(=O)c2cn(C(C)C)c3ccc(Cl)cc3c2=O)c1 ZINC000032607864 208034320 /nfs/dbraw/zinc/03/43/20/208034320.db2.gz LKORDKVLLZTHAX-UHFFFAOYSA-N 0 0 354.837 4.797 10 0 FJAERN O=C(/C=C\c1ccc(Br)cc1)Nc1ccc(Cl)cc1F ZINC000033306128 208082437 /nfs/dbraw/zinc/08/24/37/208082437.db2.gz DZAKYRDLECKPLY-BAQGIRSFSA-N 0 0 354.606 4.894 10 0 FJAERN Cc1cc(C)c(C)c(OCc2nc(CN(C)C(=O)c3ccco3)cs2)c1 ZINC000035719130 208135615 /nfs/dbraw/zinc/13/56/15/208135615.db2.gz UGAQURQHLUJANC-UHFFFAOYSA-N 0 0 370.474 4.513 10 0 FJAERN Cc1ccc(NCCCc2ccccc2)cc1I ZINC000035036482 208116976 /nfs/dbraw/zinc/11/69/76/208116976.db2.gz CAFIINJCZZWXJP-UHFFFAOYSA-N 0 0 351.231 4.644 10 0 FJAERN CC(C)CCOc1cc(CCc2cccc(-c3ccco3)c2)nc(N)n1 ZINC000034997379 208117080 /nfs/dbraw/zinc/11/70/80/208117080.db2.gz AFDKTQHFJFCSOF-UHFFFAOYSA-N 0 0 351.450 4.529 10 0 FJAERN CSc1ccc(CNc2ccc(C)c(I)c2)cc1 ZINC000035041905 208117283 /nfs/dbraw/zinc/11/72/83/208117283.db2.gz XBJMCLXTQGNRPL-UHFFFAOYSA-N 0 0 369.271 4.934 10 0 FJAERN COc1ccc(CNc2ccccc2Br)cc1Br ZINC000035038486 208117786 /nfs/dbraw/zinc/11/77/86/208117786.db2.gz UACUMOWVXLRJKD-UHFFFAOYSA-N 0 0 371.072 4.832 10 0 FJAERN Cc1c(C(=O)N2CCC[C@H]2c2ccccc2)sc2nc(C)nc(C)c12 ZINC000037170253 208177358 /nfs/dbraw/zinc/17/73/58/208177358.db2.gz QCLZLQJKDSJMNC-INIZCTEOSA-N 0 0 351.475 4.594 10 0 FJAERN COc1ccc(C(=O)c2c(Cl)cccc2Cl)c(Br)c1 ZINC000037444638 208181340 /nfs/dbraw/zinc/18/13/40/208181340.db2.gz KLIMUYZJBIWIDQ-UHFFFAOYSA-N 0 0 360.034 4.996 10 0 FJAERN COc1ccc(Oc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2)cc1 ZINC000040179129 208241543 /nfs/dbraw/zinc/24/15/43/208241543.db2.gz AXHDRVNTJHSSOD-UHFFFAOYSA-N 0 0 361.397 4.942 10 0 FJAERN Cc1ccccc1NC(=O)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1 ZINC000040180172 208241844 /nfs/dbraw/zinc/24/18/44/208241844.db2.gz NTCVGZZOCQJYNF-UHFFFAOYSA-N 0 0 372.403 4.634 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)c1 ZINC000040781696 208271230 /nfs/dbraw/zinc/27/12/30/208271230.db2.gz SXINTMIQTBMEKU-UHFFFAOYSA-N 0 0 359.355 4.873 10 0 FJAERN Nc1c(Nc2ccc(F)cc2)ncnc1Sc1cccc2cccnc21 ZINC000040782548 208271471 /nfs/dbraw/zinc/27/14/71/208271471.db2.gz HAFFAJAHCORIBG-UHFFFAOYSA-N 0 0 363.421 4.641 10 0 FJAERN Cc1nc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)sc1C ZINC000040881514 208272616 /nfs/dbraw/zinc/27/26/16/208272616.db2.gz RSLRSAJYJORDJR-UHFFFAOYSA-N 0 0 352.459 4.753 10 0 FJAERN CC(C)c1ccc(OCC(=O)N(C(C)C)C(C)C)c(Br)c1 ZINC000040944059 208276779 /nfs/dbraw/zinc/27/67/79/208276779.db2.gz OTNGTIVYYWHHIX-UHFFFAOYSA-N 0 0 356.304 4.597 10 0 FJAERN Cc1ccc2[nH]c3nc(SCc4c(F)cccc4Cl)nnc3c2c1 ZINC000040963129 208276881 /nfs/dbraw/zinc/27/68/81/208276881.db2.gz DQQYSQCXGIFLNF-UHFFFAOYSA-N 0 0 358.829 4.899 10 0 FJAERN COc1ccc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(Cl)c2c1 ZINC000041007683 208277797 /nfs/dbraw/zinc/27/77/97/208277797.db2.gz ZWEGHLKWOICFEN-UHFFFAOYSA-N 0 0 361.806 4.544 10 0 FJAERN COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C=C(C)C ZINC000041011557 208278250 /nfs/dbraw/zinc/27/82/50/208278250.db2.gz DBAGCHDVLVTVSA-UHFFFAOYSA-N 0 0 369.486 4.985 10 0 FJAERN CCc1ccc(NC(=O)Cn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040306511 208247645 /nfs/dbraw/zinc/24/76/45/208247645.db2.gz DJGAJUHMZZETDA-UHFFFAOYSA-N 0 0 355.441 4.904 10 0 FJAERN Cc1nc(C(=O)Nc2ccnn2Cc2ccccc2)c(-c2ccccc2)s1 ZINC000040327501 208247779 /nfs/dbraw/zinc/24/77/79/208247779.db2.gz MKNKQKIETCXLNO-UHFFFAOYSA-N 0 0 374.469 4.616 10 0 FJAERN O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1ccccc1F ZINC000040300734 208247854 /nfs/dbraw/zinc/24/78/54/208247854.db2.gz VCRWNOVYRIFSRL-CCEZHUSRSA-N 0 0 371.415 4.985 10 0 FJAERN CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2ccc(Cl)c(C)c21 ZINC000040359666 208249785 /nfs/dbraw/zinc/24/97/85/208249785.db2.gz HDXOFVSQEQMMOV-UHFFFAOYSA-N 0 0 354.837 4.544 10 0 FJAERN OCCCn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21 ZINC000040402474 208250144 /nfs/dbraw/zinc/25/01/44/208250144.db2.gz BEBIBYGVCVNQEC-UHFFFAOYSA-N 0 0 366.848 4.804 10 0 FJAERN CCCCNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682388 208260721 /nfs/dbraw/zinc/26/07/21/208260721.db2.gz HCSXUZLJBLXOAA-UHFFFAOYSA-N 0 0 359.783 4.687 10 0 FJAERN CCN(c1cccc2ccccc21)c1ncnc(Nc2cccc(C)n2)c1N ZINC000040685255 208260766 /nfs/dbraw/zinc/26/07/66/208260766.db2.gz ARALKGZHCICWCF-UHFFFAOYSA-N 0 0 370.460 4.817 10 0 FJAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1N1CCc2ccccc21 ZINC000040687260 208261829 /nfs/dbraw/zinc/26/18/29/208261829.db2.gz OOIGQPYUANDVBG-UHFFFAOYSA-N 0 0 372.259 4.803 10 0 FJAERN Cc1ccnc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1 ZINC000040701368 208262417 /nfs/dbraw/zinc/26/24/17/208262417.db2.gz IIYZPMPVJBWLSS-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3ccccc3C(F)(F)F)c2N)c1 ZINC000040701792 208262747 /nfs/dbraw/zinc/26/27/47/208262747.db2.gz CNVRQRQRUDBIBG-UHFFFAOYSA-N 0 0 359.355 4.873 10 0 FJAERN Nc1c(Nc2ccccc2C(F)(F)F)ncnc1Sc1ccccc1 ZINC000040701806 208263329 /nfs/dbraw/zinc/26/33/29/208263329.db2.gz ONJBCMWEJCWFBX-UHFFFAOYSA-N 0 0 362.380 4.972 10 0 FJAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040703958 208263418 /nfs/dbraw/zinc/26/34/18/208263418.db2.gz ZGTCZLPBABVDLQ-UHFFFAOYSA-N 0 0 360.248 4.721 10 0 FJAERN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040703449 208263609 /nfs/dbraw/zinc/26/36/09/208263609.db2.gz GJHNIVSFEITNHR-UHFFFAOYSA-N 0 0 361.783 4.786 10 0 FJAERN COc1ccccc1Nc1ncnc(Nc2cccc(Cl)c2C)c1N ZINC000040701574 208264243 /nfs/dbraw/zinc/26/42/43/208264243.db2.gz ZEOPVQJULJNXHR-UHFFFAOYSA-N 0 0 355.829 4.516 10 0 FJAERN CC(C)CN(CC(C)C)c1ncnc(Oc2cccc3cccnc32)c1N ZINC000040735520 208265788 /nfs/dbraw/zinc/26/57/88/208265788.db2.gz BKMQLBSWPXEQPA-UHFFFAOYSA-N 0 0 365.481 4.518 10 0 FJAERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040735834 208266477 /nfs/dbraw/zinc/26/64/77/208266477.db2.gz NXMREVJSFQPUTE-UHFFFAOYSA-N 0 0 365.884 4.713 10 0 FJAERN Cc1ccc(CNc2ncnc(Oc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040752320 208267514 /nfs/dbraw/zinc/26/75/14/208267514.db2.gz NJGFLRLDSVUDAL-UHFFFAOYSA-N 0 0 371.444 4.628 10 0 FJAERN Cc1ccc(Nc2ncnc(Oc3cccc4cccnc43)c2N)c(C)c1 ZINC000040752100 208268365 /nfs/dbraw/zinc/26/83/65/208268365.db2.gz XNKDFGYXSGVWQB-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Cc1cc(Oc2ncnc(Nc3ccc(F)cc3F)c2N)ccc1Cl ZINC000040798127 208270482 /nfs/dbraw/zinc/27/04/82/208270482.db2.gz SLDDHFLIKIGGGS-UHFFFAOYSA-N 0 0 362.767 4.835 10 0 FJAERN COc1ccc(Nc2ncnc(Oc3ccc(Cl)c(C)c3)c2N)cc1 ZINC000040782602 208270658 /nfs/dbraw/zinc/27/06/58/208270658.db2.gz DOGCOZPXQMZQQF-UHFFFAOYSA-N 0 0 356.813 4.565 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2ccnc3cc(Cl)ccc32)cc1OC ZINC000041057762 208280365 /nfs/dbraw/zinc/28/03/65/208280365.db2.gz UUZMCSWSSMGHGL-XBXARRHUSA-N 0 0 368.820 4.557 10 0 FJAERN CC(C)[C@@H](C)NC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000056547229 208495839 /nfs/dbraw/zinc/49/58/39/208495839.db2.gz XIHDXMZRBGTRSH-CQSZACIVSA-N 0 0 373.884 4.783 10 0 FJAERN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N)cc1Cl ZINC000020005629 220308203 /nfs/dbraw/zinc/30/82/03/220308203.db2.gz ZZEALAPSGUAUTJ-UHFFFAOYSA-N 0 0 353.647 4.554 10 0 FJAERN COc1ccc(OC)c(NC(=O)C2=Cc3sc(C)c(C)c3CS2)c1 ZINC000020557322 220333489 /nfs/dbraw/zinc/33/34/89/220333489.db2.gz ISOWQZONJOTGPK-UHFFFAOYSA-N 0 0 361.488 4.609 10 0 FJAERN C[C@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)c1ccc(Cl)cc1 ZINC000059350814 208590035 /nfs/dbraw/zinc/59/00/35/208590035.db2.gz IVUXPRIOLHFHPH-VIFPVBQESA-N 0 0 358.747 4.963 10 0 FJAERN CCc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c(Br)c1 ZINC000065000355 208629678 /nfs/dbraw/zinc/62/96/78/208629678.db2.gz ZXCKIIBNJAQPQP-YRNVUSSQSA-N 0 0 360.251 4.672 10 0 FJAERN COC(=O)c1ccc(O)c([C@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)c1 ZINC000022057876 220375314 /nfs/dbraw/zinc/37/53/14/220375314.db2.gz LAPCBEFVTNSDFY-HXUWFJFHSA-N 0 0 369.505 4.820 10 0 in-vitro FJAERN COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1OC ZINC000069188478 208750266 /nfs/dbraw/zinc/75/02/66/208750266.db2.gz TUIPKAVIAKNTMS-SNVBAGLBSA-N 0 0 354.233 4.502 10 0 FJAERN CCOc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc43)n2)c1 ZINC000028218964 220561757 /nfs/dbraw/zinc/56/17/57/220561757.db2.gz CBUKRPCSLLDGEH-UHFFFAOYSA-N 0 0 371.440 4.736 10 0 FJAERN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCc1ccc(Cl)cc1 ZINC000028242686 220568603 /nfs/dbraw/zinc/56/86/03/220568603.db2.gz BMOKABBNBLIXTQ-UHFFFAOYSA-N 0 0 367.880 4.773 10 0 FJAERN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCc3nc4ccccc4[nH]3)n12 ZINC000032535867 220664210 /nfs/dbraw/zinc/66/42/10/220664210.db2.gz WEEXGCFELVHYKD-UHFFFAOYSA-N 0 0 373.485 4.976 10 0 FJAERN Cc1cccc(Cn2cc(NC(=O)Nc3ccccc3C(F)(F)F)cn2)c1 ZINC000032610073 220666967 /nfs/dbraw/zinc/66/69/67/220666967.db2.gz MOLSOPVZCDWBTL-UHFFFAOYSA-N 0 0 374.366 4.903 10 0 FJAERN CC(=O)c1cn(-c2ccccc2)c(=O)c(Sc2ccc(F)cc2)c1C ZINC000034873291 220765868 /nfs/dbraw/zinc/76/58/68/220765868.db2.gz UXOXVEWYRZBMKD-UHFFFAOYSA-N 0 0 353.418 4.639 10 0 FJAERN CCCc1c(C(=O)Nc2ccc(CC)cc2)nnn1-c1ccc(Cl)cc1 ZINC000040179905 220895029 /nfs/dbraw/zinc/89/50/29/220895029.db2.gz OIXRGAHKHPQLAR-UHFFFAOYSA-N 0 0 368.868 4.688 10 0 FJAERN Cc1cc(C)c(Cn2c(CNC(=O)c3ccco3)nc3ccccc32)c(C)c1 ZINC000040197121 220895833 /nfs/dbraw/zinc/89/58/33/220895833.db2.gz NADNGNILNFZZNI-UHFFFAOYSA-N 0 0 373.456 4.533 10 0 FJAERN Cc1nnc(Cc2ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc2)o1 ZINC000040324022 220902572 /nfs/dbraw/zinc/90/25/72/220902572.db2.gz YMIRTDQAYSJZBB-UHFFFAOYSA-N 0 0 361.401 4.584 10 0 FJAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2nc3ccccc3o2)C1 ZINC000095085065 209019520 /nfs/dbraw/zinc/01/95/20/209019520.db2.gz CFWDGEHGMCUEET-HNNXBMFYSA-N 0 0 360.454 4.634 10 0 FJAERN Cc1ccccc1CN(C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC000095088152 209021571 /nfs/dbraw/zinc/02/15/71/209021571.db2.gz JCDASOFWDNTBBT-IBGZPJMESA-N 0 0 374.525 4.522 10 0 FJAERN Cc1nn(CC(=O)c2cc(Cl)sc2Cl)c(C)c1Br ZINC000050593756 221032778 /nfs/dbraw/zinc/03/27/78/221032778.db2.gz IWWMJTWZRVKWCV-UHFFFAOYSA-N 0 0 368.083 4.514 10 0 FJAERN CCOC(=O)c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000051354216 221036108 /nfs/dbraw/zinc/03/61/08/221036108.db2.gz JIERHPMVTCRKLF-UHFFFAOYSA-N 0 0 352.312 4.526 10 0 FJAERN O[C@@H](Cc1cc(Br)cs1)Cc1ccc(Cl)c(Cl)c1 ZINC000053787235 221048442 /nfs/dbraw/zinc/04/84/42/221048442.db2.gz DOWBROTVQQIVQR-SNVBAGLBSA-N 0 0 366.107 4.964 10 0 FJAERN O[C@@H](Cc1cccc(Br)c1)c1ccc(Br)c(F)c1 ZINC000062143374 221139222 /nfs/dbraw/zinc/13/92/22/221139222.db2.gz BFZASXOWLIBYAZ-AWEZNQCLSA-N 0 0 374.047 4.627 10 0 FJAERN Cc1cc(C[C@@H](C)n2cnc(-c3ccccc3)c2-c2cccc(O)c2)n[nH]1 ZINC000065398611 221212141 /nfs/dbraw/zinc/21/21/41/221212141.db2.gz QZXJTYHWAKGQSF-MRXNPFEDSA-N 0 0 358.445 4.758 10 0 FJAERN Nc1ccccc1-n1c2cnccc2nc1-c1c(Cl)cccc1Cl ZINC000067175986 221248443 /nfs/dbraw/zinc/24/84/43/221248443.db2.gz UMCJDZQFJNFIQP-UHFFFAOYSA-N 0 0 355.228 4.977 10 0 FJAERN CCc1cc(OCC(=O)c2ccc(Br)s2)ccc1Cl ZINC000070131519 221331117 /nfs/dbraw/zinc/33/11/17/221331117.db2.gz VJLAPBLHQMBOAX-UHFFFAOYSA-N 0 0 359.672 4.988 10 0 FJAERN C[C@@H](CC(=O)Nc1cccc(I)c1)CC(C)(C)C ZINC000070140058 221331330 /nfs/dbraw/zinc/33/13/30/221331330.db2.gz BCFAHHXIKZXBGW-NSHDSACASA-N 0 0 359.251 4.692 10 0 FJAERN CN(Cc1cccc(Br)c1)Cc1ccccc1Br ZINC000070136264 221331377 /nfs/dbraw/zinc/33/13/77/221331377.db2.gz KMCVYWZTGYOUNO-UHFFFAOYSA-N 0 0 369.100 4.844 10 0 FJAERN O=C(Nc1ccc(Br)cc1Br)Oc1ccccc1 ZINC000070236618 221331544 /nfs/dbraw/zinc/33/15/44/221331544.db2.gz LXXOPCJSYYZVJW-UHFFFAOYSA-N 0 0 371.028 4.823 10 0 FJAERN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(Br)c1 ZINC000070134278 221331932 /nfs/dbraw/zinc/33/19/32/221331932.db2.gz QCOZDOFTPPIOKA-UHFFFAOYSA-N 0 0 359.050 4.937 10 0 FJAERN Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1Cl ZINC000226255403 132250259 /nfs/dbraw/zinc/25/02/59/132250259.db2.gz PMMCUKCWPLXEGK-CQSZACIVSA-N 0 0 357.885 4.862 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1C[C@@H](C)C[C@H](C)C1 ZINC000226330188 132250420 /nfs/dbraw/zinc/25/04/20/132250420.db2.gz QOMYHLOYEMUXJR-KBPBESRZSA-N 0 0 371.912 4.965 10 0 FJAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000226255090 132250467 /nfs/dbraw/zinc/25/04/67/132250467.db2.gz WMUFPUIAOPJNCZ-UHFFFAOYSA-N 0 0 364.276 4.818 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1[C@@H](C)CCC[C@@H]1C ZINC000226330000 132250663 /nfs/dbraw/zinc/25/06/63/132250663.db2.gz GUFDPWJUXXLYLN-GJZGRUSLSA-N 0 0 355.457 4.736 10 0 FJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1N1CCCc2ccccc21 ZINC000040780104 132948615 /nfs/dbraw/zinc/94/86/15/132948615.db2.gz BOBJTEJNFORUDJ-UHFFFAOYSA-N 0 0 351.841 4.540 10 0 FJAERN Cc1c(C)n(-c2ccc(Br)cc2)c2nc(C)nc(Cl)c12 ZINC000095919603 209086481 /nfs/dbraw/zinc/08/64/81/209086481.db2.gz QBMYIKUMZKJLSS-UHFFFAOYSA-N 0 0 350.647 4.762 10 0 FJAERN CCc1nn2c(nccc2-c2ccco2)c1-c1ccc(Br)cc1 ZINC000072451853 221535713 /nfs/dbraw/zinc/53/57/13/221535713.db2.gz JLHBBLKLJUUIEH-UHFFFAOYSA-N 0 0 368.234 4.981 10 0 FJAERN Cc1c2ccccc2oc1-c1nnc2sc(CCc3ccccc3)nn21 ZINC000096194295 222072321 /nfs/dbraw/zinc/07/23/21/222072321.db2.gz FXNCPTSZWRDAPW-UHFFFAOYSA-N 0 0 360.442 4.693 10 0 FJAERN Cc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncc(F)c3)c2)n1 ZINC000096939149 222143928 /nfs/dbraw/zinc/14/39/28/222143928.db2.gz AGDUASOAFRXTRF-UHFFFAOYSA-N 0 0 357.772 4.622 10 0 FJAERN C[C@@H](c1ccccc1)c1cc(Br)cc(Br)c1N ZINC000098180202 222230180 /nfs/dbraw/zinc/23/01/80/222230180.db2.gz BLAWUAVICBJDIO-VIFPVBQESA-N 0 0 355.073 4.946 10 0 FJAERN Brc1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1 ZINC000100065430 222234915 /nfs/dbraw/zinc/23/49/15/222234915.db2.gz USAPMPZUMOIPTN-UHFFFAOYSA-N 0 0 364.246 4.861 10 0 FJAERN Cc1ccc2sc(-n3c(=O)c4ccccc4nc3-c3ccccc3)nc2c1 ZINC000103218539 222326844 /nfs/dbraw/zinc/32/68/44/222326844.db2.gz RXMKKAQWFNJEGG-UHFFFAOYSA-N 0 0 369.449 4.971 10 0 FJAERN CSc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2Br)c1 ZINC000105639846 222372468 /nfs/dbraw/zinc/37/24/68/222372468.db2.gz JCWFPUYJVVWMGF-LBPRGKRZSA-N 0 0 364.308 4.970 10 0 FJAERN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000106089453 222381888 /nfs/dbraw/zinc/38/18/88/222381888.db2.gz ZMTNPIWUAOMMOO-UHFFFAOYSA-N 0 0 355.388 4.636 10 0 FJAERN CCCCCc1nnc2n1N=C(c1ccc(Cl)cc1Cl)CS2 ZINC000004614544 263335147 /nfs/dbraw/zinc/33/51/47/263335147.db2.gz WNNFZXNJMOQLSA-UHFFFAOYSA-N 0 0 355.294 4.676 10 0 FJAERN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000006892098 263348512 /nfs/dbraw/zinc/34/85/12/263348512.db2.gz LDQHXJXXSYSXHE-UHFFFAOYSA-N 0 0 353.349 4.515 10 0 FJAERN CCCC[C@@H](CC)C(=O)OCCOCCOC(=O)[C@@H](CC)CCCC ZINC000031494493 263391983 /nfs/dbraw/zinc/39/19/83/263391983.db2.gz GWQRPOCMBMQBTK-HDICACEKSA-N 0 0 358.519 4.522 10 0 FJAERN CCn1nc(C)c2cc(C(=O)Nc3cccc(Cl)c3Cl)c(C)nc21 ZINC000032642716 263393245 /nfs/dbraw/zinc/39/32/45/263393245.db2.gz YWYLFYIAPYFROV-UHFFFAOYSA-N 0 0 363.248 4.627 10 0 FJAERN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000498049500 263667478 /nfs/dbraw/zinc/66/74/78/263667478.db2.gz YGKSWRFCMZRVMU-WLNPFYQQSA-N 0 0 374.521 4.624 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CSCc1cnc(Cl)s1 ZINC000085333350 518804236 /nfs/dbraw/zinc/80/42/36/518804236.db2.gz KLNQQAODMIICSF-LLVKDONJSA-N 0 0 362.948 4.819 10 0 FJAERN CC(C)c1ccc(Oc2ncnc(N3CCc4ccccc4C3)c2N)cc1 ZINC000040727385 535373343 /nfs/dbraw/zinc/37/33/43/535373343.db2.gz RTUQLHUHJRVJSY-UHFFFAOYSA-N 0 0 360.461 4.537 10 0 FJAERN COc1ccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@H]3C)c(C)cc2N)cc1 ZINC000226331314 536776374 /nfs/dbraw/zinc/77/63/74/536776374.db2.gz ZMAAOGUCPDFIAX-HZPDHXFCSA-N 0 0 367.493 4.605 10 0 FJAERN COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)cc1OC ZINC000034582365 560087130 /nfs/dbraw/zinc/08/71/30/560087130.db2.gz JLJAVUZBHSLLJL-LPINMEDASA-N 0 0 372.461 4.806 10 0 biogenic,in-vitro FJAERN COc1ccnc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)c1C ZINC000005116089 560200703 /nfs/dbraw/zinc/20/07/03/560200703.db2.gz CEXGUUCQSXKHRS-UHFFFAOYSA-N 0 0 353.369 4.586 10 0 in-vitro FJAERN COC(=O)C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000181863131 567971007 /nfs/dbraw/zinc/97/10/07/567971007.db2.gz HHAAGJJXJTZKTA-OAQYLSRUSA-N 0 0 374.440 4.839 10 0 FJAERN Cc1cnn([C@@H]2CCCN(C(=O)C[C@@H](C)c3ccc(C(C)C)cc3)C2)c1 ZINC000159206589 567980220 /nfs/dbraw/zinc/98/02/20/567980220.db2.gz YEUFWYAZXJIXIV-WIYYLYMNSA-N 0 0 353.510 4.672 10 0 FJAERN Cc1cnn([C@H]2CCCN(C(=O)C[C@@H](C)c3ccc(C(C)C)cc3)C2)c1 ZINC000159206747 567980311 /nfs/dbraw/zinc/98/03/11/567980311.db2.gz YEUFWYAZXJIXIV-NQIIRXRSSA-N 0 0 353.510 4.672 10 0 FJAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159303238 568123732 /nfs/dbraw/zinc/12/37/32/568123732.db2.gz SDDLBXRFGGXLSM-YPMHNXCESA-N 0 0 358.791 4.601 10 0 FJAERN CC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000014388370 568245488 /nfs/dbraw/zinc/24/54/88/568245488.db2.gz VPMUJJHYHSLANV-CQSZACIVSA-N 0 0 359.853 4.579 10 0 FJAERN Cc1nc2ccc(C)cc2n1C1CCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000034915366 570562952 /nfs/dbraw/zinc/56/29/52/570562952.db2.gz GMOKBEQIAOOLFF-UHFFFAOYSA-N 0 0 365.452 4.578 10 0 FJAERN CCCC[C@@H]1CN(C(=O)c2cc3ccccc3cn2)Cc2ccccc2O1 ZINC000011787671 570595002 /nfs/dbraw/zinc/59/50/02/570595002.db2.gz JVTDLYNLCCKHBI-HXUWFJFHSA-N 0 0 360.457 4.828 10 0 FJAERN COC(=O)c1ccccc1Sc1cc(OCc2ccccc2)ccc1N ZINC000022051041 570937786 /nfs/dbraw/zinc/93/77/86/570937786.db2.gz YXKHHUQYDKLTNE-UHFFFAOYSA-N 0 0 365.454 4.786 10 0 in-vitro FJAERN CC(C)(C)OC(=O)N1CC=C(c2cc(C(F)(F)F)cnc2Cl)CC1 ZINC000584881274 570988287 /nfs/dbraw/zinc/98/82/87/570988287.db2.gz OTIHKDMDXPEYMN-UHFFFAOYSA-N 0 0 362.779 4.778 10 0 FJAERN COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1 ZINC000034648278 571073622 /nfs/dbraw/zinc/07/36/22/571073622.db2.gz YYRUFECVWILGJZ-UHFFFAOYSA-N 0 0 365.473 4.757 10 0 in-vitro FJAERN O=c1[nH]c2cc(F)ccc2cc1CN(Cc1ccsc1)Cc1ccco1 ZINC000055099202 571116086 /nfs/dbraw/zinc/11/60/86/571116086.db2.gz QRBCTQIEDQBMQL-UHFFFAOYSA-N 0 0 368.433 4.524 10 0 FJAERN Cc1ccc(CN(Cc2cccn2-c2cccnc2)Cc2ccncc2)s1 ZINC000055360005 571119952 /nfs/dbraw/zinc/11/99/52/571119952.db2.gz FFVBVBLACLQFNS-UHFFFAOYSA-N 0 0 374.513 4.840 10 0 FJAERN CCN(Cc1ccncc1)Cc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000055413501 571120684 /nfs/dbraw/zinc/12/06/84/571120684.db2.gz ABVLOJVFYWPAES-UHFFFAOYSA-N 0 0 354.457 4.714 10 0 FJAERN CC(C)CCNC(=O)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025607 571250805 /nfs/dbraw/zinc/25/08/05/571250805.db2.gz NKWKWWTVZHTMAC-UHFFFAOYSA-N 0 0 374.488 4.532 10 0 FJAERN CC[C@H](C)NC(=O)c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000065057997 571252109 /nfs/dbraw/zinc/25/21/09/571252109.db2.gz BVWDTUJIDVTCHK-AWEZNQCLSA-N 0 0 365.408 4.603 10 0 FJAERN CN(C(=O)C(F)(F)F)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000226271323 571276172 /nfs/dbraw/zinc/27/61/72/571276172.db2.gz JEBXQCCKLFARDW-UHFFFAOYSA-N 0 0 368.742 4.597 10 0 FJAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccccc3Cl)oc21 ZINC000226270654 571276236 /nfs/dbraw/zinc/27/62/36/571276236.db2.gz VWBIMISTMPLFQW-UHFFFAOYSA-N 0 0 354.715 4.957 10 0 FJAERN C[C@H](O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 ZINC000226272787 571276315 /nfs/dbraw/zinc/27/63/15/571276315.db2.gz NSQHMIQEXDXHDZ-LBPRGKRZSA-N 0 0 370.246 4.908 10 0 FJAERN COc1cccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)c1 ZINC000226286795 571276433 /nfs/dbraw/zinc/27/64/33/571276433.db2.gz PSLQAWROVDLKDD-UHFFFAOYSA-N 0 0 356.381 4.664 10 0 FJAERN Brc1ccc2c(Br)ncc(Br)c2c1 ZINC000096854357 571276511 /nfs/dbraw/zinc/27/65/11/571276511.db2.gz NLIMWHGCYJKAEA-UHFFFAOYSA-N 0 0 365.850 4.522 10 0 FJAERN Cc1ccc(OCc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)cc1C ZINC000299745083 571338370 /nfs/dbraw/zinc/33/83/70/571338370.db2.gz WBFJKRGCSDECCR-AZUAARDMSA-N 0 0 350.418 4.511 10 0 FJAERN CCCCCOc1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000003108148 571344756 /nfs/dbraw/zinc/34/47/56/571344756.db2.gz GTNUVICQEPBWQD-UHFFFAOYSA-N 0 0 363.255 4.665 10 0 FJAERN Nc1cc(C(=O)Nc2cc(Br)ccc2Cl)ccc1Cl ZINC000061690685 209867554 /nfs/dbraw/zinc/86/75/54/209867554.db2.gz VIISGCWVJYUXPP-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 ZINC000000995208 219351046 /nfs/dbraw/zinc/35/10/46/219351046.db2.gz MQDYEXBVAYSOEI-UHFFFAOYSA-N 0 0 360.413 4.508 10 0 FJAERN CCN(C(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccccc1 ZINC000001051528 219359152 /nfs/dbraw/zinc/35/91/52/219359152.db2.gz WJYSJUVTQYGXMV-UHFFFAOYSA-N 0 0 358.441 4.914 10 0 FJAERN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)NC1CCCCC1 ZINC000028305135 209805695 /nfs/dbraw/zinc/80/56/95/209805695.db2.gz VIQKMWXBHLJCNE-UHFFFAOYSA-N 0 0 367.280 4.692 10 0 FJAERN Cc1ccc(CNC(=O)c2ccc(COc3cccc4ccccc43)o2)o1 ZINC000028223706 209795722 /nfs/dbraw/zinc/79/57/22/209795722.db2.gz LHJBGLQBKNRQNQ-UHFFFAOYSA-N 0 0 361.397 4.843 10 0 FJAERN COc1cc(NC(=O)/C=C/c2cccc(Cl)c2)c(OC)cc1Cl ZINC000001927144 219422305 /nfs/dbraw/zinc/42/23/05/219422305.db2.gz TXMYXHKMNADMKS-VOTSOKGWSA-N 0 0 352.217 4.663 10 0 FJAERN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1cccs1 ZINC000226287668 222883418 /nfs/dbraw/zinc/88/34/18/222883418.db2.gz MYHFEEIVLDAWCH-UHFFFAOYSA-N 0 0 368.845 4.814 10 0 FJAERN NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000226333997 222884865 /nfs/dbraw/zinc/88/48/65/222884865.db2.gz FWFUVNIDIMHOPW-QHHAFSJGSA-N 0 0 356.636 4.724 10 0 FJAERN COc1ccc(Br)c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000016017946 209597001 /nfs/dbraw/zinc/59/70/01/209597001.db2.gz PLPPWBKBQLCWAA-JTQLQIEISA-N 0 0 368.658 4.602 10 0 FJAERN O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(Br)o1 ZINC000014783533 209591724 /nfs/dbraw/zinc/59/17/24/209591724.db2.gz PUDZCLHXPPZPHY-UHFFFAOYSA-N 0 0 372.218 4.873 10 0 FJAERN CC(C)Cc1ccc([C@@H](O)c2cccc(I)c2)cc1 ZINC000104046170 209498446 /nfs/dbraw/zinc/49/84/46/209498446.db2.gz MYNJCHJGSGBOMT-QGZVFWFLSA-N 0 0 366.242 4.571 10 0 FJAERN Cc1cc(C)n(Cc2ccc(F)cc2)c1C(=O)N(C)Cc1ccccc1 ZINC000006800910 219771876 /nfs/dbraw/zinc/77/18/76/219771876.db2.gz AXYGIBCOLDODIN-UHFFFAOYSA-N 0 0 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Cc1cccc2c(C)cc(SCC(=O)Nc3cc(Cl)ccc3O)nc12 ZINC000040167070 208242456 /nfs/dbraw/zinc/24/24/56/208242456.db2.gz BYTYYCITRFQZNW-UHFFFAOYSA-N 0 0 372.877 4.941 10 0 FJAERN CN(C(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000040238396 208243026 /nfs/dbraw/zinc/24/30/26/208243026.db2.gz HOAFJFDMBHFIBT-WUKNDPDISA-N 0 0 367.452 4.870 10 0 FJAERN Cc1ccc(OCc2nc3ccccc3n2CC(=O)c2ccccc2)cc1 ZINC000040234945 208243589 /nfs/dbraw/zinc/24/35/89/208243589.db2.gz DLXQXYDUCSYWHW-UHFFFAOYSA-N 0 0 356.425 4.807 10 0 FJAERN CCC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000040211100 208244116 /nfs/dbraw/zinc/24/41/16/208244116.db2.gz PNSJOWXYOLTXRV-UHFFFAOYSA-N 0 0 363.505 4.632 10 0 FJAERN Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)c1 ZINC000040890197 208271985 /nfs/dbraw/zinc/27/19/85/208271985.db2.gz QNURPYYPOGFTNA-UHFFFAOYSA-N 0 0 351.427 4.836 10 0 FJAERN CCC(CC)c1nnc(NC(=O)CCCOc2cc(C)ccc2C)s1 ZINC000040935201 208274143 /nfs/dbraw/zinc/27/41/43/208274143.db2.gz ZVFRDTDSTKSIIM-UHFFFAOYSA-N 0 0 361.511 4.856 10 0 FJAERN Cc1cc(C)c(NC(=S)NC(=O)COc2ccccc2C(C)C)c(C)c1 ZINC000040899605 208274683 /nfs/dbraw/zinc/27/46/83/208274683.db2.gz DBYIDQBDLPNYNL-UHFFFAOYSA-N 0 0 370.518 4.627 10 0 FJAERN CCSc1nn2c(C)c(-c3ccc(Br)cc3)nc2s1 ZINC000040965093 208277305 /nfs/dbraw/zinc/27/73/05/208277305.db2.gz UTWOXQSYQNVUED-UHFFFAOYSA-N 0 0 354.298 4.641 10 0 FJAERN CCc1ccc(OCCCC(=O)N(C(C)C)C(C)C)c(Br)c1 ZINC000040944053 208277313 /nfs/dbraw/zinc/27/73/13/208277313.db2.gz UFDXDYZDUMSKPG-UHFFFAOYSA-N 0 0 370.331 4.816 10 0 FJAERN COc1ccc2sc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c2c1 ZINC000041007897 208277960 /nfs/dbraw/zinc/27/79/60/208277960.db2.gz LMSBYWWMNNHYHT-UHFFFAOYSA-N 0 0 360.866 4.882 10 0 FJAERN CCOC(=O)c1cc(CC)sc1NC(=O)CCc1ccc(Cl)cc1 ZINC000040995249 208278601 /nfs/dbraw/zinc/27/86/01/208278601.db2.gz PVNYQKJUYYBVNL-UHFFFAOYSA-N 0 0 365.882 4.712 10 0 FJAERN Cc1cc2sc(NC(=O)COc3cc(C)cc(C)c3C)nc2c(C)c1 ZINC000040979801 208278788 /nfs/dbraw/zinc/27/87/88/208278788.db2.gz KHXHNCCRWJJSSS-UHFFFAOYSA-N 0 0 354.475 4.856 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 ZINC000040970059 208278976 /nfs/dbraw/zinc/27/89/76/208278976.db2.gz RCAOHZLTFABEOX-LFYBBSHMSA-N 0 0 368.433 4.918 10 0 FJAERN Cc1ccc(NC(=O)CSc2ncc(Br)cc2C)cc1C ZINC000040384199 208249488 /nfs/dbraw/zinc/24/94/88/208249488.db2.gz GJVBLFPEEJLPEE-UHFFFAOYSA-N 0 0 365.296 4.500 10 0 FJAERN COc1ccc(CCn2c3cc(Cl)ccc3nc2C2CC2)cc1OC ZINC000040406930 208253723 /nfs/dbraw/zinc/25/37/23/208253723.db2.gz FDXXZHDOCJVJKB-UHFFFAOYSA-N 0 0 356.853 4.827 10 0 FJAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1N1CCc2ccccc21 ZINC000040687253 208260291 /nfs/dbraw/zinc/26/02/91/208260291.db2.gz RXCBINYEUGDZCS-UHFFFAOYSA-N 0 0 354.413 4.699 10 0 FJAERN Nc1c(Nc2cccc(Cl)c2Cl)ncnc1N1CCc2ccccc21 ZINC000040687355 208262802 /nfs/dbraw/zinc/26/28/02/208262802.db2.gz ATZTVXLUJMXKPK-UHFFFAOYSA-N 0 0 372.259 4.803 10 0 FJAERN Nc1c(Nc2cccnc2Cl)ncnc1Oc1ccc2ccccc2c1 ZINC000040687920 208262941 /nfs/dbraw/zinc/26/29/41/208262941.db2.gz DOVNIOBIRBWHNL-UHFFFAOYSA-N 0 0 363.808 4.796 10 0 FJAERN CCc1ccccc1Nc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040688240 208263502 /nfs/dbraw/zinc/26/35/02/208263502.db2.gz YYFMZYHRCSUXDL-UHFFFAOYSA-N 0 0 356.433 4.657 10 0 FJAERN COc1cccc(Nc2ncnc(Nc3cccc(Cl)c3C)c2N)c1 ZINC000040687940 208263983 /nfs/dbraw/zinc/26/39/83/208263983.db2.gz DJHHGYZECLYGPM-UHFFFAOYSA-N 0 0 355.829 4.516 10 0 FJAERN CC(C)c1ccc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)cc1 ZINC000040727379 208266000 /nfs/dbraw/zinc/26/60/00/208266000.db2.gz SUGYWKAHPDSWSW-UHFFFAOYSA-N 0 0 355.829 4.767 10 0 FJAERN CCc1ccc(Oc2ncnc(Oc3cccc4cccnc43)c2N)cc1 ZINC000040752234 208268234 /nfs/dbraw/zinc/26/82/34/208268234.db2.gz ZBOALCOAQWFWJO-UHFFFAOYSA-N 0 0 358.401 4.754 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3cccc4cccnc43)c2N)c(C)c1 ZINC000040755332 208268371 /nfs/dbraw/zinc/26/83/71/208268371.db2.gz IQROABRPXOYVNZ-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN Cc1cc(Oc2ncnc(Nc3cc(F)ccc3F)c2N)ccc1Cl ZINC000040798124 208270841 /nfs/dbraw/zinc/27/08/41/208270841.db2.gz MFUJPNYFULMCJB-UHFFFAOYSA-N 0 0 362.767 4.835 10 0 FJAERN Cn1cc(C(=O)Nc2cccc3ccccc32)c(=O)c2cc(Cl)ccc21 ZINC000041056690 208280371 /nfs/dbraw/zinc/28/03/71/208280371.db2.gz MTZYLSMDZJWRKM-UHFFFAOYSA-N 0 0 362.816 4.597 10 0 FJAERN COc1ccc(C)cc1NC(=O)c1c(Br)c2ccccc2n1C ZINC000041612227 208287520 /nfs/dbraw/zinc/28/75/20/208287520.db2.gz SIHXSKCTXDPAMC-UHFFFAOYSA-N 0 0 373.250 4.510 10 0 FJAERN Nc1cc(F)ccc1Nc1cc(Br)ccc1Br ZINC000042577411 208293491 /nfs/dbraw/zinc/29/34/91/208293491.db2.gz MPPAJXBOVFEDRJ-UHFFFAOYSA-N 0 0 360.024 4.677 10 0 FJAERN CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 ZINC000045348374 208331573 /nfs/dbraw/zinc/33/15/73/208331573.db2.gz QABUURICQJOWID-INIZCTEOSA-N 0 0 358.873 4.587 10 0 in-vivo FJAERN Fc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccnc2)cc1 ZINC000019774198 220295891 /nfs/dbraw/zinc/29/58/91/220295891.db2.gz ICWSSYFEHVMEDH-QHCPKHFHSA-N 0 0 357.432 4.850 10 0 FJAERN Ic1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000020478782 220327189 /nfs/dbraw/zinc/32/71/89/220327189.db2.gz QPPHEWZHWCOASU-AWEZNQCLSA-N 0 0 367.255 4.940 10 0 FJAERN C[C@H](Nc1cccc(I)c1)c1ccc2c(c1)CCC2 ZINC000020478246 220328219 /nfs/dbraw/zinc/32/82/19/220328219.db2.gz UTUWYNWNRPIQHM-LBPRGKRZSA-N 0 0 363.242 4.953 10 0 FJAERN Oc1ccccc1C1=N[C@H](c2ccc(Cl)cc2)N[C@H](c2ccccn2)C1 ZINC000058015106 208554194 /nfs/dbraw/zinc/55/41/94/208554194.db2.gz OHAKRPHKTGHELZ-FPOVZHCZSA-N 0 0 363.848 4.663 10 0 FJAERN O=c1c2ccc[nH]c-2c(Nc2cc(Cl)cc(Cl)c2)n1Cc1ccco1 ZINC000021105004 220350751 /nfs/dbraw/zinc/35/07/51/220350751.db2.gz QVWQVTWWDNSJNE-QGZVFWFLSA-N 0 0 374.227 4.748 10 0 FJAERN COCOc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OCOC)[C@@]3(C)CC[C@H]21 ZINC000022052381 220375334 /nfs/dbraw/zinc/37/53/34/220375334.db2.gz ORTXDSRJUDCFHC-AANPDWTMSA-N 0 0 360.494 4.515 10 0 in-vitro FJAERN Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccc(C)c(C)c2)n1 ZINC000072461862 208868802 /nfs/dbraw/zinc/86/88/02/208868802.db2.gz UCNHWNHIXLWTMH-UHFFFAOYSA-N 0 0 355.445 4.998 10 0 FJAERN CCCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000075351513 208885470 /nfs/dbraw/zinc/88/54/70/208885470.db2.gz CUVJRTYBPPOLMP-UHFFFAOYSA-N 0 0 364.424 4.556 10 0 FJAERN Cc1ccc(-c2ncc(C(=O)Nc3ccc(F)cc3Cl)c(C)n2)cc1 ZINC000075437226 208884603 /nfs/dbraw/zinc/88/46/03/208884603.db2.gz VGJNAXUDNSSLRR-UHFFFAOYSA-N 0 0 355.800 4.805 10 0 FJAERN N=c1sc2cc(OC(F)(F)F)ccc2n1CCSc1ccccc1 ZINC000026720152 220519903 /nfs/dbraw/zinc/51/99/03/220519903.db2.gz DUYAMQPUEVOCHF-UHFFFAOYSA-N 0 0 370.421 4.873 10 0 FJAERN COc1ccc(NC(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 ZINC000027925083 220551239 /nfs/dbraw/zinc/55/12/39/220551239.db2.gz XRIKKCPQPAZORI-UHFFFAOYSA-N 0 0 370.840 4.795 10 0 FJAERN CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000027975728 220555309 /nfs/dbraw/zinc/55/53/09/220555309.db2.gz IRVUPIRXPGVGOB-MRXNPFEDSA-N 0 0 365.260 4.673 10 0 FJAERN Cc1nn(-c2ccc(NC(=O)c3ccccc3)cc2)c(C)c1Br ZINC000028573006 220579867 /nfs/dbraw/zinc/57/98/67/220579867.db2.gz NSPFBIJKQUXLAW-UHFFFAOYSA-N 0 0 370.250 4.504 10 0 FJAERN C[C@@H](NC(=O)c1cccc2ncccc21)c1ccc(OC(F)(F)F)cc1 ZINC000031952041 220649474 /nfs/dbraw/zinc/64/94/74/220649474.db2.gz GFEZHEBLSXPLND-GFCCVEGCSA-N 0 0 360.335 4.624 10 0 FJAERN COc1cccc(C(=O)Nc2cc(C)nc3ccc(Br)cc32)c1 ZINC000032605664 220667303 /nfs/dbraw/zinc/66/73/03/220667303.db2.gz WDCLVUSYCZVEFM-UHFFFAOYSA-N 0 0 371.234 4.567 10 0 FJAERN COc1ccc(C(C)=O)cc1CSc1ccccc1Br ZINC000035045065 220773139 /nfs/dbraw/zinc/77/31/39/220773139.db2.gz BHAUKTVCJHJVPJ-UHFFFAOYSA-N 0 0 351.265 4.953 10 0 FJAERN Cc1nc(NC(=O)COc2ccccc2)sc1Cc1ccccc1Cl ZINC000036639428 220825948 /nfs/dbraw/zinc/82/59/48/220825948.db2.gz MWSKNKRVIWEZDY-UHFFFAOYSA-N 0 0 372.877 4.713 10 0 FJAERN Fc1c(F)c(F)c(NCc2ccc(Br)s2)c(F)c1F ZINC000037984164 220843649 /nfs/dbraw/zinc/84/36/49/220843649.db2.gz USTZMHYWOGCSAP-UHFFFAOYSA-N 0 0 358.129 4.818 10 0 FJAERN CCOC(=O)c1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000040037336 220872915 /nfs/dbraw/zinc/87/29/15/220872915.db2.gz PVZJUCMBBUIECS-UHFFFAOYSA-N 0 0 351.402 4.733 10 0 FJAERN COC(=O)c1ccc(CSc2cc(C)c3cccc(OC)c3n2)cc1 ZINC000040167592 220893339 /nfs/dbraw/zinc/89/33/39/220893339.db2.gz LNPAHMLWVRHBOK-UHFFFAOYSA-N 0 0 353.443 4.631 10 0 FJAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc4ncccc43)c2N)c1 ZINC000040681564 220913598 /nfs/dbraw/zinc/91/35/98/220913598.db2.gz KGHDGOAYFSZUHH-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCc2ccccc21 ZINC000040687354 220915826 /nfs/dbraw/zinc/91/58/26/220915826.db2.gz AGARFTHRVVPQDS-UHFFFAOYSA-N 0 0 372.259 4.803 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3cccc4ncccc43)c2N)cc1C ZINC000040702981 220916957 /nfs/dbraw/zinc/91/69/57/220916957.db2.gz YPHUYAIDBUMBFS-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN CCOc1ccccc1/C=C/C(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000041018571 220927257 /nfs/dbraw/zinc/92/72/57/220927257.db2.gz JWFVIQBAZWTPDB-MDZDMXLPSA-N 0 0 352.459 4.964 10 0 FJAERN Cc1ccccc1Nc1ncnc(Nc2cccc(Br)c2)c1N ZINC000040781216 220921710 /nfs/dbraw/zinc/92/17/10/220921710.db2.gz XUFYHHRGHPWNKT-UHFFFAOYSA-N 0 0 370.254 4.617 10 0 FJAERN O=Cc1cc(Br)ccc1-c1ccc(Br)cc1C=O ZINC000095932592 209087472 /nfs/dbraw/zinc/08/74/72/209087472.db2.gz CPFJSEXQJQDJRT-UHFFFAOYSA-N 0 0 368.024 4.504 10 0 FJAERN COC(=O)c1cccc(Nc2ccnc3cc(Br)ccc32)c1 ZINC000053994603 221049799 /nfs/dbraw/zinc/04/97/99/221049799.db2.gz APGAOYDYUKJCAK-UHFFFAOYSA-N 0 0 357.207 4.528 10 0 FJAERN O=[N+]([O-])/C(=C/c1cc(Br)c(Br)o1)c1ccccc1 ZINC000054685066 221054980 /nfs/dbraw/zinc/05/49/80/221054980.db2.gz GEDXIIPBAWRZHH-YRNVUSSQSA-N 0 0 373.000 4.579 10 0 FJAERN O[C@@H](Cc1cccc(Br)c1)c1cc(F)ccc1Br ZINC000062143188 221139170 /nfs/dbraw/zinc/13/91/70/221139170.db2.gz MIVUMENHJMPTEL-AWEZNQCLSA-N 0 0 374.047 4.627 10 0 FJAERN Clc1ccc(-c2c(-c3ccccc3)ncn2CCn2ccnc2)s1 ZINC000065462418 221223258 /nfs/dbraw/zinc/22/32/58/221223258.db2.gz DEUPURCFCRLVNE-UHFFFAOYSA-N 0 0 354.866 4.829 10 0 FJAERN Cc1ccc([C@H](C)NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)o1 ZINC000069721986 221327537 /nfs/dbraw/zinc/32/75/37/221327537.db2.gz GPPWNWDAPDARQD-JTQLQIEISA-N 0 0 362.788 4.835 10 0 FJAERN CC(C)CCCCCCNC(=O)c1ccccc1I ZINC000070136710 221331643 /nfs/dbraw/zinc/33/16/43/221331643.db2.gz QLTXSBJZLJCXLE-UHFFFAOYSA-N 0 0 373.278 4.628 10 0 FJAERN CC(C)c1cccc(NC(=O)c2ccc(I)cc2)c1 ZINC000070134525 221331649 /nfs/dbraw/zinc/33/16/49/221331649.db2.gz DAPNZDLPKVIQGM-UHFFFAOYSA-N 0 0 365.214 4.667 10 0 FJAERN COc1ccc(NC(=S)Nc2ccccc2Br)cc1Cl ZINC000071761833 221369423 /nfs/dbraw/zinc/36/94/23/221369423.db2.gz ULLKKDJPXFHEPP-UHFFFAOYSA-N 0 0 371.687 4.920 10 0 FJAERN c1cc2c(o1)N=C(c1ccccc1)N(c1ccccc1)[C@@H]2NC[C@@H]1CCCO1 ZINC000216148941 132271310 /nfs/dbraw/zinc/27/13/10/132271310.db2.gz WOBFUJWABCDJJT-UGKGYDQZSA-N 0 0 373.456 4.645 10 0 FJAERN O=C(Nc1ccccc1N1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000003560446 132385494 /nfs/dbraw/zinc/38/54/94/132385494.db2.gz IQKCIZBXKUTYMD-UHFFFAOYSA-N 0 0 374.440 4.568 10 0 FJAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1N1CCc2ccccc2C1 ZINC000040687813 136119818 /nfs/dbraw/zinc/11/98/18/136119818.db2.gz JTSHMJPYURWMQU-UHFFFAOYSA-N 0 0 368.440 4.567 10 0 FJAERN O=C(Nc1ccc2c(c1)ncnc2N1CCCCC1)c1ccc(Cl)s1 ZINC000065135011 136134981 /nfs/dbraw/zinc/13/49/81/136134981.db2.gz NMBVKZUNTGHQSG-UHFFFAOYSA-N 0 0 372.881 4.587 10 0 FJAERN CC[C@H](C)c1ccc([C@H](O)c2ccccc2I)cc1 ZINC000104046192 209498097 /nfs/dbraw/zinc/49/80/97/209498097.db2.gz GLBYCFFFSDFWAK-SJCJKPOMSA-N 0 0 366.242 4.886 10 0 FJAERN O=C1C(Cl)=C(c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000095593108 209083285 /nfs/dbraw/zinc/08/32/85/209083285.db2.gz RONMYAFEDUQUDG-UHFFFAOYSA-N 0 0 352.604 4.517 10 0 FJAERN O=S(=O)(c1ccc(Cl)cc1)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000059121185 209085047 /nfs/dbraw/zinc/08/50/47/209085047.db2.gz BWBOPERMSRBPCQ-RLAPIPATSA-N 0 0 369.873 4.827 10 0 FJAERN Cc1ccc(C(=O)COc2ccc(-c3noc(C(C)(C)C)n3)cc2)cc1 ZINC000096281003 222109203 /nfs/dbraw/zinc/10/92/03/222109203.db2.gz JADIQFWCMSVOLU-UHFFFAOYSA-N 0 0 350.418 4.604 10 0 FJAERN COc1ccccc1CNc1nc2ccccc2c(NC2CCCCC2)n1 ZINC000096195262 222072552 /nfs/dbraw/zinc/07/25/52/222072552.db2.gz IDQCJEUWZUIUCL-UHFFFAOYSA-N 0 0 362.477 4.995 10 0 FJAERN CC(C)CCCCCOC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000096328770 222115473 /nfs/dbraw/zinc/11/54/73/222115473.db2.gz NGZWZIAGFHOSDS-UHFFFAOYSA-N 0 0 353.677 4.997 10 0 FJAERN O=C1c2ccccc2[C@H](CCc2ccccc2)C(=O)N1OCc1ccccc1 ZINC000098181249 222230767 /nfs/dbraw/zinc/23/07/67/222230767.db2.gz VCSFLEYSJVECHV-QFIPXVFZSA-N 0 0 371.436 4.517 10 0 FJAERN Brc1cccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)c1 ZINC000100065435 222234900 /nfs/dbraw/zinc/23/49/00/222234900.db2.gz BKJFDDCCCWXYGS-UHFFFAOYSA-N 0 0 364.246 4.861 10 0 FJAERN O=C1CC(c2cccnc2)=Nc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000100898200 222256314 /nfs/dbraw/zinc/25/63/14/222256314.db2.gz IPWMPRSKCFTTDR-UHFFFAOYSA-N 0 0 361.832 4.793 10 0 FJAERN CCCCc1ccc([C@H](O)c2ccc(I)cc2)cc1 ZINC000104029372 222348533 /nfs/dbraw/zinc/34/85/33/222348533.db2.gz YYKCDSACUSLHQN-KRWDZBQOSA-N 0 0 366.242 4.716 10 0 FJAERN C[C@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccc1Cl ZINC000105591603 222371015 /nfs/dbraw/zinc/37/10/15/222371015.db2.gz ACHCWLVQSPQZMA-ZDUSSCGKSA-N 0 0 358.869 4.816 10 0 FJAERN COC(=O)c1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)c(C)c1 ZINC000105631944 222372766 /nfs/dbraw/zinc/37/27/66/222372766.db2.gz JYPZLIJIWLIPJL-UHFFFAOYSA-N 0 0 357.793 4.742 10 0 FJAERN COc1ccc([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCCC2)c(OC)c1 ZINC000105913933 222378806 /nfs/dbraw/zinc/37/88/06/222378806.db2.gz RHJKDVLSEURCMR-OAHLLOKOSA-N 0 0 371.452 4.532 10 0 FJAERN COc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1Br ZINC000007122228 263349168 /nfs/dbraw/zinc/34/91/68/263349168.db2.gz CWERZTLHVBGVFL-HNNXBMFYSA-N 0 0 368.296 4.646 10 0 FJAERN O=C(CSCc1ccccc1)Nc1nnc(/C=C\c2ccccc2)s1 ZINC000033923847 527025699 /nfs/dbraw/zinc/02/56/99/527025699.db2.gz NMONXHJFUOCUIY-QXMHVHEDSA-N 0 0 367.499 4.580 10 0 FJAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1(c2cccs2)CCCCC1 ZINC000159186416 567915202 /nfs/dbraw/zinc/91/52/02/567915202.db2.gz YLNHSJZAPUZZSQ-QGZVFWFLSA-N 0 0 371.550 4.664 10 0 FJAERN C[C@@H]1CC[C@@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)c2ccccc21 ZINC000188583273 567965639 /nfs/dbraw/zinc/96/56/39/567965639.db2.gz VOSNTVIYRPQCTH-IIBYNOLFSA-N 0 0 358.489 4.866 10 0 FJAERN Cc1ccc2c(c1)[C@@H](Nc1ccc(Cc3nnc4n3CCC4)cc1)CCC2 ZINC000188589011 567974472 /nfs/dbraw/zinc/97/44/72/567974472.db2.gz HPXOPGXFJIDKKQ-NRFANRHFSA-N 0 0 358.489 4.613 10 0 FJAERN CCc1ccc([C@@H](C)N[C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000186917039 568009183 /nfs/dbraw/zinc/00/91/83/568009183.db2.gz VBYKOIBINRQXQP-NEPJUHHUSA-N 0 0 351.263 4.957 10 0 FJAERN Cc1csc(-c2cccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)n1 ZINC000159303428 568123733 /nfs/dbraw/zinc/12/37/33/568123733.db2.gz SQLNWUGTICZZOR-LSDHHAIUSA-N 0 0 368.424 4.969 10 0 FJAERN Cc1csc(-c2cccc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)c2)n1 ZINC000159303575 568123789 /nfs/dbraw/zinc/12/37/89/568123789.db2.gz SQLNWUGTICZZOR-GJZGRUSLSA-N 0 0 368.424 4.969 10 0 FJAERN COc1ccc(Br)c(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000007644523 568249913 /nfs/dbraw/zinc/24/99/13/568249913.db2.gz PFDKVLHAUKEABJ-SNVBAGLBSA-N 0 0 368.658 4.602 10 0 FJAERN O=C(NCCc1ccsc1)c1ccc2c(Cl)c3c(nc2c1)CCCC3 ZINC000004958684 570567107 /nfs/dbraw/zinc/56/71/07/570567107.db2.gz DJFDVCFDXLTLLI-UHFFFAOYSA-N 0 0 370.905 4.801 10 0 FJAERN CCN(CC)c1cc(C)c2cc(NC(=O)Cc3cccs3)ccc2n1 ZINC000003894422 570570577 /nfs/dbraw/zinc/57/05/77/570570577.db2.gz QDRCPKZGTZURJV-UHFFFAOYSA-N 0 0 353.491 4.632 10 0 FJAERN NC1=C([N+](=O)[O-])[C@@H](c2ccsc2)C2=C(O1)/C(=C/c1ccsc1)CCC2 ZINC000005778307 570635687 /nfs/dbraw/zinc/63/56/87/570635687.db2.gz NYYKLCDXCOCZLZ-JQVXPOPVSA-N 0 0 372.471 4.850 10 0 FJAERN S=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccn1 ZINC000006549086 570649263 /nfs/dbraw/zinc/64/92/63/570649263.db2.gz UPFBFTAFWQKMTJ-UHFFFAOYSA-N 0 0 357.866 4.727 10 0 FJAERN O=C(COc1ccccc1)Nc1ccc2nc(-c3ccccc3F)oc2c1 ZINC000041085991 571107056 /nfs/dbraw/zinc/10/70/56/571107056.db2.gz QNSLQWVBQOXWJS-UHFFFAOYSA-N 0 0 362.360 4.651 10 0 FJAERN Nc1ccc2oc(-c3ccc(Br)cc3Br)nc2c1 ZINC000073638101 571109110 /nfs/dbraw/zinc/10/91/10/571109110.db2.gz JMIWXNCBPBAIOB-UHFFFAOYSA-N 0 0 368.028 4.602 10 0 FJAERN CC(C)(C)OC(=O)N(CCC(=O)CCCC(F)F)Cc1ccccc1 ZINC000685960557 571142551 /nfs/dbraw/zinc/14/25/51/571142551.db2.gz RLUBJIBFRKHZFQ-UHFFFAOYSA-N 0 0 355.425 4.818 10 0 FJAERN CC1=CCC[C@@](C)(O)/C=C/[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 ZINC000004025706 571205247 /nfs/dbraw/zinc/20/52/47/571205247.db2.gz AVRRAMZPNSQDIW-RODTYWDQSA-N 0 0 358.478 4.627 10 0 FJAERN Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000006833766 571249578 /nfs/dbraw/zinc/24/95/78/571249578.db2.gz GUDNPEGPQDDNLZ-OAQYLSRUSA-N 0 0 368.502 4.758 10 0 FJAERN CCc1ccc2oc(-c3ccc(I)c(C)c3)nc2c1 ZINC000226239459 571275883 /nfs/dbraw/zinc/27/58/83/571275883.db2.gz ANHXUJYURJBYTB-UHFFFAOYSA-N 0 0 363.198 4.970 10 0 FJAERN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1F ZINC000226287959 571276375 /nfs/dbraw/zinc/27/63/75/571276375.db2.gz WATTVMLQEDDNAO-UHFFFAOYSA-N 0 0 360.388 4.547 10 0 FJAERN CCn1ccc(=O)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1 ZINC000154137525 571311773 /nfs/dbraw/zinc/31/17/73/571311773.db2.gz 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ZINC000028304511 209803771 /nfs/dbraw/zinc/80/37/71/209803771.db2.gz VFBCVCYYVROFIH-UHFFFAOYSA-N 0 0 364.207 4.630 10 0 FJAERN CCCOc1ccccc1/C=C/C(=O)Nc1ccccc1Br ZINC000001927514 219422525 /nfs/dbraw/zinc/42/25/25/219422525.db2.gz PQBCFWNSOGTJGH-VAWYXSNFSA-N 0 0 360.251 4.890 10 0 FJAERN CC[C@]1(C)Cc2sc3[nH]c(=S)n(-c4ccc(C)cc4)c(=O)c3c2CO1 ZINC000026802947 209767331 /nfs/dbraw/zinc/76/73/31/209767331.db2.gz FRTOHJSTHQDJEE-LJQANCHMSA-N 0 0 372.515 4.660 10 0 FJAERN O=C(c1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)(F)F ZINC000002383470 219441033 /nfs/dbraw/zinc/44/10/33/219441033.db2.gz FAVOOMHIXPIGGS-UHFFFAOYSA-N 0 0 350.214 4.715 10 0 FJAERN Nc1ccc2oc(-c3ccc(Br)c(Br)c3)nc2c1 ZINC000226249149 222883507 /nfs/dbraw/zinc/88/35/07/222883507.db2.gz DUQPLBPSBGBXCE-UHFFFAOYSA-N 0 0 368.028 4.602 10 0 FJAERN CCOC(=O)c1cc(Cl)cc(Cl)c1-c1cc2ccccc2oc1=O ZINC000226357549 222885837 /nfs/dbraw/zinc/88/58/37/222885837.db2.gz RUEDHVMQZGULLN-UHFFFAOYSA-N 0 0 363.196 4.944 10 0 FJAERN COC(=O)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000226366785 222886284 /nfs/dbraw/zinc/88/62/84/222886284.db2.gz COKDKQBQWOPIGJ-UHFFFAOYSA-N 0 0 362.212 4.732 10 0 FJAERN Cc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccccc32)c1 ZINC000002691250 219456334 /nfs/dbraw/zinc/45/63/34/219456334.db2.gz RGOHILDLRYSZIH-UHFFFAOYSA-N 0 0 353.421 4.589 10 0 FJAERN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2ccco2)N1 ZINC000005447160 219680516 /nfs/dbraw/zinc/68/05/16/219680516.db2.gz BAKJDQHTMCEWCO-LJQANCHMSA-N 0 0 373.437 4.812 10 0 FJAERN COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000226763729 209368714 /nfs/dbraw/zinc/36/87/14/209368714.db2.gz RWRZVHULCFQXSL-UHFFFAOYSA-N 0 0 356.809 4.752 10 0 FJAERN C[C@@H]1CN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C[C@@H](C)O1 ZINC000226318651 209367265 /nfs/dbraw/zinc/36/72/65/209367265.db2.gz QUFCTYXBBBGDGF-ZIAGYGMSSA-N 0 0 356.853 4.757 10 0 FJAERN CN(c1ccccc1)c1c(Br)cc(N)cc1Br ZINC000226317016 209367374 /nfs/dbraw/zinc/36/73/74/209367374.db2.gz WAIKYHQCEJATGT-UHFFFAOYSA-N 0 0 356.061 4.562 10 0 FJAERN Cc1cc(-c2nc3cc(Cl)ccc3[nH]2)ccc1I ZINC000226239580 209365745 /nfs/dbraw/zinc/36/57/45/209365745.db2.gz GCPLSWITCMMISR-UHFFFAOYSA-N 0 0 368.605 4.796 10 0 FJAERN Clc1ccc(Cc2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 ZINC000226300026 209365524 /nfs/dbraw/zinc/36/55/24/209365524.db2.gz QXMWFXGLWZEWKI-UHFFFAOYSA-N 0 0 361.257 4.750 10 0 FJAERN Cc1cc(C)c(NC(=S)NC(=O)CCc2ccccc2Cl)c(C)c1 ZINC000010012721 219889545 /nfs/dbraw/zinc/88/95/45/219889545.db2.gz FHACRCUUBIFMBI-UHFFFAOYSA-N 0 0 360.910 4.711 10 0 FJAERN Nc1cc(Cl)ccc1NC(=O)c1cc(Br)ccc1Cl ZINC000037287606 209284844 /nfs/dbraw/zinc/28/48/44/209284844.db2.gz OSZRGUTYVSWBCV-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN CCOCCOc1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000010325981 219898769 /nfs/dbraw/zinc/89/87/69/219898769.db2.gz YUNHJAKPTYIBSR-UHFFFAOYSA-N 0 0 371.477 4.779 10 0 FJAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C ZINC000108054887 209282680 /nfs/dbraw/zinc/28/26/80/209282680.db2.gz MSJGEJNDZDJQJA-OAQYLSRUSA-N 0 0 367.493 4.556 10 0 FJAERN Cc1c(C(=O)N[C@@H](C)c2ccccc2Cl)cnn1-c1ccccc1C ZINC000105973389 209270042 /nfs/dbraw/zinc/27/00/42/209270042.db2.gz SNMXGUPLBOBTOG-AWEZNQCLSA-N 0 0 353.853 4.634 10 0 FJAERN CC(C)CC(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000105704880 209268255 /nfs/dbraw/zinc/26/82/55/209268255.db2.gz NKTJHYSJJROVCH-UHFFFAOYSA-N 0 0 354.494 4.682 10 0 FJAERN O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000105627619 209266550 /nfs/dbraw/zinc/26/65/50/209266550.db2.gz XRDBUQWYAAEVRN-KRWDZBQOSA-N 0 0 372.490 4.917 10 0 FJAERN Nc1ccc(Nc2cccc(I)c2)c(C(F)F)c1 ZINC000104226076 209258972 /nfs/dbraw/zinc/25/89/72/209258972.db2.gz DFFMLHCQEHAFBY-UHFFFAOYSA-N 0 0 360.145 4.555 10 0 FJAERN C[C@H]1CCC[C@@H](SCC(=O)c2ccc(I)cc2)C1 ZINC000103940485 209257219 /nfs/dbraw/zinc/25/72/19/209257219.db2.gz ILOHDSYUUOHZLA-SMDDNHRTSA-N 0 0 374.287 4.786 10 0 FJAERN O=c1c(C/C=C\c2ccccc2)c(O)ccn1Cc1cccc(Cl)c1 ZINC000098023249 209201906 /nfs/dbraw/zinc/20/19/06/209201906.db2.gz GKJCLMZSRUKVRR-YVMONPNESA-N 0 0 351.833 4.512 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000013633057 220080617 /nfs/dbraw/zinc/08/06/17/220080617.db2.gz HDMOQGLHTJUDCJ-CXUHLZMHSA-N 0 0 372.424 4.599 10 0 FJAERN CCn1ccnc1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C)c1 ZINC000015066354 220144631 /nfs/dbraw/zinc/14/46/31/220144631.db2.gz HHFAOWYYTLVEAB-DEOSSOPVSA-N 0 0 370.500 4.840 10 0 FJAERN C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1Br ZINC000015686896 220160437 /nfs/dbraw/zinc/16/04/37/220160437.db2.gz HXWFMMWEFIOPBL-MRVPVSSYSA-N 0 0 374.065 4.642 10 0 FJAERN C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000017963028 220219572 /nfs/dbraw/zinc/21/95/72/220219572.db2.gz YEDBASYMKZVMEA-QMMMGPOBSA-N 0 0 374.065 4.642 10 0 FJAERN C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(Cl)c(Cl)c1 ZINC000017963025 220219917 /nfs/dbraw/zinc/21/99/17/220219917.db2.gz FGQMEZXUASQOME-SSDOTTSWSA-N 0 0 363.038 4.840 10 0 FJAERN Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(N)c1 ZINC000019232312 220241353 /nfs/dbraw/zinc/24/13/53/220241353.db2.gz JOUQUQIYPZKTSX-UHFFFAOYSA-N 0 0 353.647 4.554 10 0 FJAERN CC(C)c1ccc(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1 ZINC000067206838 206706384 /nfs/dbraw/zinc/70/63/84/206706384.db2.gz HCSOVZBLBRTPDZ-UHFFFAOYSA-N 0 0 366.848 4.570 10 0 FJAERN Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C2CC2)c1 ZINC000006483675 206802316 /nfs/dbraw/zinc/80/23/16/206802316.db2.gz SQEXNUNPTRMKMI-JTQLQIEISA-N 0 0 363.866 4.984 10 0 FJAERN CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(C)cc2)c1C ZINC000002929747 206945651 /nfs/dbraw/zinc/94/56/51/206945651.db2.gz OVPAVTOQUWYNAI-UHFFFAOYSA-N 0 0 364.420 4.752 10 0 FJAERN C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000005038816 207075324 /nfs/dbraw/zinc/07/53/24/207075324.db2.gz VAUMGSVLGROUGX-LLVKDONJSA-N 0 0 357.759 4.615 10 0 FJAERN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000005569717 207106349 /nfs/dbraw/zinc/10/63/49/207106349.db2.gz PGLNELNAHZGRBH-UHFFFAOYSA-N 0 0 364.257 4.688 10 0 FJAERN COc1ccc(C)c(NC(=S)Nc2ccc(Br)cc2)c1 ZINC000005798923 207118074 /nfs/dbraw/zinc/11/80/74/207118074.db2.gz ASHMFUXGIDNOCJ-UHFFFAOYSA-N 0 0 351.269 4.575 10 0 FJAERN Cc1cccc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc21 ZINC000005884093 207120577 /nfs/dbraw/zinc/12/05/77/207120577.db2.gz AFMXEKXTDJHWRM-UHFFFAOYSA-N 0 0 367.257 4.929 10 0 FJAERN CCCc1nc2c3ccccc3nc(NCCc3ccc(Cl)cc3)n2n1 ZINC000006805514 207166952 /nfs/dbraw/zinc/16/69/52/207166952.db2.gz HXGSKIBTXOQCHE-UHFFFAOYSA-N 0 0 365.868 4.538 10 0 FJAERN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000008305418 207227212 /nfs/dbraw/zinc/22/72/12/207227212.db2.gz FMBCXWOIDSPLNN-UHFFFAOYSA-N 0 0 372.635 4.648 10 0 FJAERN CN(C(=O)Cn1c2ccccc2nc1-c1ccc(F)cc1)c1ccccc1 ZINC000008787326 207249166 /nfs/dbraw/zinc/24/91/66/207249166.db2.gz YZGUEPZBUNKOSU-UHFFFAOYSA-N 0 0 359.404 4.505 10 0 FJAERN COc1ccc(OCCn2c3ccccc3nc2-c2ccccc2F)cc1 ZINC000008787424 207249910 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LHNGSSLUBAGCQW-SFHVURJKSA-N 0 0 350.393 4.707 10 0 FJAERN CCc1cc(Oc2ccc3c(c2)OCO3)nc(SCc2ccccc2)n1 ZINC000036349918 220812668 /nfs/dbraw/zinc/81/26/68/220812668.db2.gz AQLUIUOIHPRPQN-UHFFFAOYSA-N 0 0 366.442 4.852 10 0 FJAERN COc1ccc(C(=O)c2cc(Cl)ccc2Cl)cc1Br ZINC000037362897 220835950 /nfs/dbraw/zinc/83/59/50/220835950.db2.gz GKNCVCUSQNJRLR-UHFFFAOYSA-N 0 0 360.034 4.996 10 0 FJAERN Fc1cccc(C2CC(Nc3ccc(I)cc3)C2)c1 ZINC000036845574 220831389 /nfs/dbraw/zinc/83/13/89/220831389.db2.gz PIPZHJRMQBPKHJ-UHFFFAOYSA-N 0 0 367.205 4.788 10 0 FJAERN COc1cccc2c(C)cc(SCC(=O)Nc3ccc(C)cc3)nc12 ZINC000040167457 220893310 /nfs/dbraw/zinc/89/33/10/220893310.db2.gz DOAZQBVBGZFMGY-UHFFFAOYSA-N 0 0 352.459 4.591 10 0 FJAERN COc1cccc2c(C)cc(SCC(=O)Nc3ccc(C)c(C)c3)nc12 ZINC000040167648 220893399 /nfs/dbraw/zinc/89/33/99/220893399.db2.gz UEVHVUZETNLRBO-UHFFFAOYSA-N 0 0 366.486 4.899 10 0 FJAERN CC(C)(C)NC(=O)Cn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000040307937 220900078 /nfs/dbraw/zinc/90/00/78/220900078.db2.gz ZZWVAABNBMLGFY-UHFFFAOYSA-N 0 0 371.484 4.695 10 0 FJAERN COc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040306733 220900667 /nfs/dbraw/zinc/90/06/67/220900667.db2.gz MSDONJVWXYKLFH-UHFFFAOYSA-N 0 0 371.440 4.659 10 0 FJAERN CCN(c1ccccc1)c1ncnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040679574 220914855 /nfs/dbraw/zinc/91/48/55/220914855.db2.gz NUMQMKUJQYEPTJ-UHFFFAOYSA-N 0 0 370.460 4.817 10 0 FJAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccc4cccnc43)c2N)c1 ZINC000040704486 220915618 /nfs/dbraw/zinc/91/56/18/220915618.db2.gz SPWFAEIQTYVMHF-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN Cc1c(Cl)cccc1Nc1ncnc(Nc2cccnc2Cl)c1N ZINC000040701675 220916187 /nfs/dbraw/zinc/91/61/87/220916187.db2.gz ZPPWLMNFQALRHI-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN COc1ccc(Cl)cc1Nc1ncnc(Nc2cccc(C)c2C)c1N ZINC000040702347 220916553 /nfs/dbraw/zinc/91/65/53/220916553.db2.gz LDXUWJYKITZNNQ-UHFFFAOYSA-N 0 0 369.856 4.825 10 0 FJAERN COc1cccc(-c2csc(NC(=O)c3c(C)cc(C)cc3C)n2)c1 ZINC000040925899 220925053 /nfs/dbraw/zinc/92/50/53/220925053.db2.gz QFISAFJEQSRBPG-UHFFFAOYSA-N 0 0 352.459 4.996 10 0 FJAERN COc1ccc(/C=C/C(=O)Nc2ccnc3c(Cl)cccc23)cc1OC ZINC000041057524 220927779 /nfs/dbraw/zinc/92/77/79/220927779.db2.gz PDQZWEXSNZSMAU-VQHVLOKHSA-N 0 0 368.820 4.557 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3cccc4nc(C)ccc43)c2N)c1 ZINC000040781734 220921272 /nfs/dbraw/zinc/92/12/72/220921272.db2.gz ANZAHOMECNBNMY-UHFFFAOYSA-N 0 0 356.433 4.711 10 0 FJAERN Cc1ccc(Oc2ncnc(Nc3ccc(Br)cc3)c2N)cc1 ZINC000040782284 220921653 /nfs/dbraw/zinc/92/16/53/220921653.db2.gz DSECCKDNNJHXNQ-UHFFFAOYSA-N 0 0 371.238 4.666 10 0 FJAERN Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Sc1ccccc1 ZINC000040783228 220922208 /nfs/dbraw/zinc/92/22/08/220922208.db2.gz UAIDLJVQHBSQQG-UHFFFAOYSA-N 0 0 362.380 4.972 10 0 FJAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(C(F)(F)F)ccc32)CC1 ZINC000044136761 220952885 /nfs/dbraw/zinc/95/28/85/220952885.db2.gz HMNFONJGSHBZSD-UHFFFAOYSA-N 0 0 369.383 4.561 10 0 FJAERN CCSc1nnc(-c2cc3occc3n2CC)n1-c1cccc(C)c1 ZINC000049454113 221022744 /nfs/dbraw/zinc/02/27/44/221022744.db2.gz PAZDXUFKTDHWQQ-UHFFFAOYSA-N 0 0 352.463 4.922 10 0 FJAERN Clc1nc(COc2cccc(Br)c2)nc2sccc21 ZINC000050840757 221033734 /nfs/dbraw/zinc/03/37/34/221033734.db2.gz MBUSIBSGPMJZOZ-UHFFFAOYSA-N 0 0 355.644 4.686 10 0 FJAERN CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccnc2ccccc12 ZINC000055271979 221064646 /nfs/dbraw/zinc/06/46/46/221064646.db2.gz CIZJQNPJXJBADU-UHFFFAOYSA-N 0 0 364.836 4.570 10 0 FJAERN COc1cc(Nc2ccnc3c(F)cc(F)cc23)c(OC)cc1Cl ZINC000054202494 221050939 /nfs/dbraw/zinc/05/09/39/221050939.db2.gz VQKYUMHQBUWSLI-UHFFFAOYSA-N 0 0 350.752 4.927 10 0 FJAERN O=C(/C=C/c1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000059434767 221126505 /nfs/dbraw/zinc/12/65/05/221126505.db2.gz HWFCKPKAFVYPQT-VAWYXSNFSA-N 0 0 357.369 4.649 10 0 FJAERN O[C@H](Cc1ccc(Br)cc1)c1ccc(F)cc1Br ZINC000062138952 221139466 /nfs/dbraw/zinc/13/94/66/221139466.db2.gz CSYBGKHOLKKPJE-CQSZACIVSA-N 0 0 374.047 4.627 10 0 FJAERN Cc1ccc(-c2nc3ccccc3n2CCNC(=O)c2cccs2)cc1 ZINC000064661336 221150173 /nfs/dbraw/zinc/15/01/73/221150173.db2.gz OOYGUEOEUWMISB-UHFFFAOYSA-N 0 0 361.470 4.503 10 0 FJAERN CCc1ccc(NC(=O)COc2c(C)cccc2C)c(Br)c1 ZINC000065000572 221163162 /nfs/dbraw/zinc/16/31/62/221163162.db2.gz CKNKQKVROFPIMU-UHFFFAOYSA-N 0 0 362.267 4.646 10 0 FJAERN CCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1csc(C)n1 ZINC000065384695 221208312 /nfs/dbraw/zinc/20/83/12/221208312.db2.gz ONYNNSOAXMULLR-UHFFFAOYSA-N 0 0 363.490 4.637 10 0 FJAERN Fc1cc(Br)ccc1OCc1cccc(Br)c1 ZINC000070136132 221332007 /nfs/dbraw/zinc/33/20/07/221332007.db2.gz TUSWHQVUGUYLCG-UHFFFAOYSA-N 0 0 360.020 4.930 10 0 FJAERN O=C(c1cccc(Br)c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000070140604 221331775 /nfs/dbraw/zinc/33/17/75/221331775.db2.gz HLUYRSOHINWVAB-UHFFFAOYSA-N 0 0 364.670 4.907 10 0 FJAERN CCOc1cccc(NC(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000071944012 221389456 /nfs/dbraw/zinc/38/94/56/221389456.db2.gz MXYQILWHIXYICS-GFCCVEGCSA-N 0 0 363.255 4.731 10 0 FJAERN COc1cc(C)ccc1NC(=O)N[C@H](C)c1ccccc1Br ZINC000071998212 221393772 /nfs/dbraw/zinc/39/37/72/221393772.db2.gz RZUCWLCSEIGEFL-GFCCVEGCSA-N 0 0 363.255 4.649 10 0 FJAERN CC[C@@H](NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(OC)cc1 ZINC000072026279 221397260 /nfs/dbraw/zinc/39/72/60/221397260.db2.gz CSWOSZPNUQGYDZ-RTBURBONSA-N 0 0 358.869 4.786 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCCC[C@@H]1C ZINC000226330089 132250295 /nfs/dbraw/zinc/25/02/95/132250295.db2.gz MHDPWPXBFGUIHR-AWEZNQCLSA-N 0 0 357.885 4.862 10 0 FJAERN C[C@@H]1CCC[C@H](C)N1c1c(Br)cc(N)cc1Br ZINC000226316500 132250303 /nfs/dbraw/zinc/25/03/03/132250303.db2.gz QYIJMJWQTKKSOL-DTORHVGOSA-N 0 0 362.109 4.561 10 0 FJAERN Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1Cl ZINC000226255365 132250373 /nfs/dbraw/zinc/25/03/73/132250373.db2.gz KMPXTBDYDPEPRD-UHFFFAOYSA-N 0 0 357.885 4.719 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1N1CCC(C)CC1 ZINC000226330123 132250469 /nfs/dbraw/zinc/25/04/69/132250469.db2.gz MIHVEMUDVBWNCQ-UHFFFAOYSA-N 0 0 357.885 4.719 10 0 FJAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCC[C@H]1C ZINC000226330296 132250480 /nfs/dbraw/zinc/25/04/80/132250480.db2.gz FJZOWCPPHSSXAB-CQSZACIVSA-N 0 0 357.885 4.862 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1C[C@@H](C)C[C@H](C)C1 ZINC000226330509 132250486 /nfs/dbraw/zinc/25/04/86/132250486.db2.gz NAOFDRSICMKMAT-KBPBESRZSA-N 0 0 371.912 4.965 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCC[C@@H](C)C1 ZINC000226330454 132250560 /nfs/dbraw/zinc/25/05/60/132250560.db2.gz FSNKMFRTSAEAFI-CYBMUJFWSA-N 0 0 357.885 4.719 10 0 FJAERN Cc1ccc(N2CCOCC2)c(NCc2ccc(Cl)cc2Cl)c1 ZINC000226240628 132374531 /nfs/dbraw/zinc/37/45/31/132374531.db2.gz CQYGQDWUWWWYOE-UHFFFAOYSA-N 0 0 351.277 4.751 10 0 FJAERN CCCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 ZINC000226267424 132374886 /nfs/dbraw/zinc/37/48/86/132374886.db2.gz WLUUIQWYNSTBKM-MRXNPFEDSA-N 0 0 367.493 4.689 10 0 FJAERN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 ZINC000226268176 132374931 /nfs/dbraw/zinc/37/49/31/132374931.db2.gz YNVMCHCJDMJIBE-MRXNPFEDSA-N 0 0 367.493 4.687 10 0 FJAERN OC1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3Cl)n2)CC1 ZINC000033890892 132375208 /nfs/dbraw/zinc/37/52/08/132375208.db2.gz LQZRBKSCDSTHFT-UHFFFAOYSA-N 0 0 374.271 4.565 10 0 FJAERN O=C(Cc1cccc(F)c1)Nc1ccccc1N1CCc2sccc2C1 ZINC000041579887 136120989 /nfs/dbraw/zinc/12/09/89/136120989.db2.gz GOHYLBFEAMKGLC-UHFFFAOYSA-N 0 0 366.461 4.631 10 0 FJAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)[nH]2)cc1 ZINC000072451047 221535206 /nfs/dbraw/zinc/53/52/06/221535206.db2.gz UEVNGHVMNVRTSJ-UHFFFAOYSA-N 0 0 373.239 4.909 10 0 FJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000073654785 221565153 /nfs/dbraw/zinc/56/51/53/221565153.db2.gz HRIBBYFFCAARPS-HZPDHXFCSA-N 0 0 370.534 4.525 10 0 FJAERN O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1ccccc1 ZINC000095116295 221849717 /nfs/dbraw/zinc/84/97/17/221849717.db2.gz YMTQQVBKLFJPNS-UHFFFAOYSA-N 0 0 371.465 4.971 10 0 FJAERN Cc1ccc2nc(-n3c(=O)c4ccccc4nc3-c3ccccc3)sc2c1 ZINC000103218537 222327030 /nfs/dbraw/zinc/32/70/30/222327030.db2.gz QLMCUUJWFIHFAR-UHFFFAOYSA-N 0 0 369.449 4.971 10 0 FJAERN O[C@H](Cc1sccc1Br)Cc1ccc(Cl)cc1Cl ZINC000103949704 222346731 /nfs/dbraw/zinc/34/67/31/222346731.db2.gz GHVJHZFXLDGWQR-JTQLQIEISA-N 0 0 366.107 4.964 10 0 FJAERN C[C@@H]1CCC[C@H](SCC(=O)c2ccc(I)cc2)C1 ZINC000103940476 222346898 /nfs/dbraw/zinc/34/68/98/222346898.db2.gz ILOHDSYUUOHZLA-RISCZKNCSA-N 0 0 374.287 4.786 10 0 FJAERN Cc1ccc(Br)cc1Nc1ccc(N)cc1Br ZINC000103945864 222347071 /nfs/dbraw/zinc/34/70/71/222347071.db2.gz WYIQZNQUKCYJQU-UHFFFAOYSA-N 0 0 356.061 4.846 10 0 FJAERN C[C@@H]1CCC[C@@H](SCC(=O)c2ccc(I)cc2)C1 ZINC000103940482 222347222 /nfs/dbraw/zinc/34/72/22/222347222.db2.gz ILOHDSYUUOHZLA-BXUZGUMPSA-N 0 0 374.287 4.786 10 0 FJAERN Cc1cc(I)ccc1NCc1ccc(O)c(Cl)c1 ZINC000104027065 222348357 /nfs/dbraw/zinc/34/83/57/222348357.db2.gz PKQBAHPLGAFHJD-UHFFFAOYSA-N 0 0 373.621 4.571 10 0 FJAERN CC(C)c1c(Cl)ncnc1Nc1cccc(I)c1 ZINC000104218331 222352668 /nfs/dbraw/zinc/35/26/68/222352668.db2.gz GZRWECBPIKQNCJ-UHFFFAOYSA-N 0 0 373.625 4.602 10 0 FJAERN C[C@@H]1CCc2c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)csc2C1 ZINC000105275513 222366641 /nfs/dbraw/zinc/36/66/41/222366641.db2.gz OZUYEQISRGAQDQ-FZKQIMNGSA-N 0 0 365.502 4.727 10 0 FJAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(Br)c1 ZINC000105847895 222377522 /nfs/dbraw/zinc/37/75/22/222377522.db2.gz LZMGNHVEEPIPFH-JECHBYEQSA-N 0 0 362.242 4.569 10 0 FJAERN Cc1c2ccccc2oc1C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000105843072 222378131 /nfs/dbraw/zinc/37/81/31/222378131.db2.gz DGKAWLYSXVADFH-GFCCVEGCSA-N 0 0 358.235 4.995 10 0 FJAERN C[C@H](NC(=O)CCn1ccc2ccccc21)c1cccc(Br)c1 ZINC000105851802 222378178 /nfs/dbraw/zinc/37/81/78/222378178.db2.gz BAMHOHYLLUPCKL-AWEZNQCLSA-N 0 0 371.278 4.671 10 0 FJAERN C[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000105974720 222379096 /nfs/dbraw/zinc/37/90/96/222379096.db2.gz KRQZUSUVBHGPKA-LLVKDONJSA-N 0 0 368.221 4.537 10 0 FJAERN O=C(Nc1ccccc1N1CCCC1)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000106048694 222381574 /nfs/dbraw/zinc/38/15/74/222381574.db2.gz KKALHLGSNPJDOE-UHFFFAOYSA-N 0 0 366.852 4.583 10 0 FJAERN CC(C)CC(=O)N[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C(C)C ZINC000108054885 222407627 /nfs/dbraw/zinc/40/76/27/222407627.db2.gz MSJGEJNDZDJQJA-NRFANRHFSA-N 0 0 367.493 4.556 10 0 FJAERN O=C(c1ccccc1Br)[C@@H](c1ccccc1)c1ccccn1 ZINC000169333159 222562363 /nfs/dbraw/zinc/56/23/63/222562363.db2.gz DXVCNAZOXZHAMR-SFHVURJKSA-N 0 0 352.231 4.859 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CSCc1ccc(Cl)nc1 ZINC000085332937 518802972 /nfs/dbraw/zinc/80/29/72/518802972.db2.gz CCWJUKWSKXJWCS-AWEZNQCLSA-N 0 0 356.919 4.758 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CSCc1cnc(Cl)s1 ZINC000085333355 518804061 /nfs/dbraw/zinc/80/40/61/518804061.db2.gz KLNQQAODMIICSF-NSHDSACASA-N 0 0 362.948 4.819 10 0 FJAERN O=C(NCc1cccc(Oc2ccccc2)c1)c1cc(Cl)ccc1O ZINC000090485115 526725071 /nfs/dbraw/zinc/72/50/71/526725071.db2.gz NGAZVZXMQHJUBL-UHFFFAOYSA-N 0 0 353.805 4.768 10 0 FJAERN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 ZINC000226267381 535031278 /nfs/dbraw/zinc/03/12/78/535031278.db2.gz ZWEBPYVMJCTXND-MRXNPFEDSA-N 0 0 367.493 4.687 10 0 FJAERN CC[C@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1cccc(Cl)c1 ZINC000105871184 535875428 /nfs/dbraw/zinc/87/54/28/535875428.db2.gz WTWQNLWRECIECK-IBGZPJMESA-N 0 0 370.880 4.738 10 0 FJAERN Cc1cc(CCCCCCCOc2ccc(C3=N[C@@H](C)CO3)cc2)on1 ZINC000001530461 560181401 /nfs/dbraw/zinc/18/14/01/560181401.db2.gz NEAZMARKCJKUMF-KRWDZBQOSA-N 0 0 356.466 4.720 10 0 in-vitro FJAERN Cc1cc([C@@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)c(C)s1 ZINC000188596631 567981007 /nfs/dbraw/zinc/98/10/07/567981007.db2.gz QCMWWFATNLYIHI-CQSZACIVSA-N 0 0 352.507 4.667 10 0 FJAERN Cc1cc([C@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)c(C)s1 ZINC000188596653 567981129 /nfs/dbraw/zinc/98/11/29/567981129.db2.gz QCMWWFATNLYIHI-AWEZNQCLSA-N 0 0 352.507 4.667 10 0 FJAERN C[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccc(F)cc1Cl ZINC000188598973 567981890 /nfs/dbraw/zinc/98/18/90/567981890.db2.gz MQSUKUQOCPSBGC-ZDUSSCGKSA-N 0 0 370.859 4.781 10 0 FJAERN COc1ccc([C@H](C)NC(=O)Nc2cccc(C(C)(F)F)c2)cc1OC ZINC000186945587 568020633 /nfs/dbraw/zinc/02/06/33/568020633.db2.gz GHXIQBWWXLXNOA-LBPRGKRZSA-N 0 0 364.392 4.698 10 0 FJAERN C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ncc(Br)cc1F ZINC000186978241 568040999 /nfs/dbraw/zinc/04/09/99/568040999.db2.gz RFBOQJIOTFCJIJ-ATZCPNFKSA-N 0 0 369.200 4.755 10 0 FJAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(OC)c2)o1 ZINC000128578148 568049405 /nfs/dbraw/zinc/04/94/05/568049405.db2.gz XGFZXTVSMJRPEU-AQNXPRMDSA-N 0 0 353.462 4.708 10 0 FJAERN O=C(Cc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000159302965 568123754 /nfs/dbraw/zinc/12/37/54/568123754.db2.gz SDDLBXRFGGXLSM-AAEUAGOBSA-N 0 0 358.791 4.601 10 0 FJAERN CC(=O)O[C@@H]1CC/C(C)=C\[C@H](O)C/C(C)=C/C[C@@]2(C(C)C)CC[C@@]1(C)O2 ZINC000604381341 568286783 /nfs/dbraw/zinc/28/67/83/568286783.db2.gz MAAXSNDBAYYGPI-VHEPGGSWSA-N 0 0 364.526 4.710 10 0 FJAERN COc1ccccc1C(=O)Nc1c(-c2ccc(C)cc2C)n[nH]c1C1CC1 ZINC000034794863 570557806 /nfs/dbraw/zinc/55/78/06/570557806.db2.gz QEYSZIQLNDPRBP-UHFFFAOYSA-N 0 0 361.445 4.832 10 0 FJAERN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)C2CCCCC2)cc1 ZINC000034912797 570564388 /nfs/dbraw/zinc/56/43/88/570564388.db2.gz RXUQBMBWMLREEP-UHFFFAOYSA-N 0 0 363.461 4.837 10 0 FJAERN CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3F)ccc2n1 ZINC000003894408 570570762 /nfs/dbraw/zinc/57/07/62/570570762.db2.gz URTRKNPYHWGHKH-UHFFFAOYSA-N 0 0 351.425 4.781 10 0 FJAERN CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1cccc2ccccc21 ZINC000041077045 571106733 /nfs/dbraw/zinc/10/67/33/571106733.db2.gz KRBIVULWDSAXRN-UHFFFAOYSA-N 0 0 370.452 4.732 10 0 FJAERN CC(C)NC(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1 ZINC000141408201 571147547 /nfs/dbraw/zinc/14/75/47/571147547.db2.gz HUKWPJRCVFKEML-HXUWFJFHSA-N 0 0 360.461 4.864 10 0 FJAERN Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)Cc1ccc(Cl)cc1 ZINC000224340429 571201273 /nfs/dbraw/zinc/20/12/73/571201273.db2.gz 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ZINC000103940478 209257246 /nfs/dbraw/zinc/25/72/46/209257246.db2.gz ILOHDSYUUOHZLA-FZMZJTMJSA-N 0 0 374.287 4.786 10 0 FJAERN Fc1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCO5)c23)cc1 ZINC000012084597 219952102 /nfs/dbraw/zinc/95/21/02/219952102.db2.gz LFOLLYNSDYUVTC-UHFFFAOYSA-N 0 0 365.389 4.970 10 0 FJAERN C[C@@H]1CCC(=O)[C@@H]([C@H](CC(=O)c2ccccc2)c2ccc3c(c2)OCO3)C1 ZINC000102003748 209231820 /nfs/dbraw/zinc/23/18/20/209231820.db2.gz QDCYTMXABOGCOO-ATZDWAIDSA-N 0 0 364.441 4.777 10 0 FJAERN Cc1c(C(=O)OC(C)C)sc2ncnc(Nc3ccc(Cl)cc3)c12 ZINC000012131735 219957919 /nfs/dbraw/zinc/95/79/19/219957919.db2.gz GLRNWMZBVNRCIA-UHFFFAOYSA-N 0 0 361.854 4.962 10 0 FJAERN C[C@H](c1ccccc1)c1cc(Br)cc(Br)c1N ZINC000098180203 209206278 /nfs/dbraw/zinc/20/62/78/209206278.db2.gz BLAWUAVICBJDIO-SECBINFHSA-N 0 0 355.073 4.946 10 0 FJAERN O=c1c2cc(Cl)ccc2nc(NCc2ccccc2)n1-c1ccccc1 ZINC000098180024 209205448 /nfs/dbraw/zinc/20/54/48/209205448.db2.gz NYQVGTHPKBVQNT-UHFFFAOYSA-N 0 0 361.832 4.651 10 0 FJAERN Cc1ccc(F)cc1CNc1nncc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000012582541 220009192 /nfs/dbraw/zinc/00/91/92/220009192.db2.gz IJKQYOYRNHVQDQ-UHFFFAOYSA-N 0 0 362.330 4.617 10 0 FJAERN CCCNC(=O)C1(c2ccc(NC(=O)c3ccccc3)cc2)CCCCC1 ZINC000013350535 220065018 /nfs/dbraw/zinc/06/50/18/220065018.db2.gz XKHFIHITKFMZHZ-UHFFFAOYSA-N 0 0 364.489 4.667 10 0 FJAERN c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3ccccc32)cc1 ZINC000013559973 220073635 /nfs/dbraw/zinc/07/36/35/220073635.db2.gz BGZRYVWWMJHNHC-UHFFFAOYSA-N 0 0 351.413 4.557 10 0 FJAERN c1[nH]c2ccccc2c1-c1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096194025 209131513 /nfs/dbraw/zinc/13/15/13/209131513.db2.gz CIGJEWLZKDZTFC-UHFFFAOYSA-N 0 0 357.398 4.747 10 0 FJAERN Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 ZINC000013616566 220079221 /nfs/dbraw/zinc/07/92/21/220079221.db2.gz JMCMVWPJYWPECF-GCJKJVERSA-N 0 0 374.465 4.809 10 0 FJAERN COc1cccc(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000016228011 220181078 /nfs/dbraw/zinc/18/10/78/220181078.db2.gz 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/nfs/dbraw/zinc/83/24/70/206832470.db2.gz FXMXLOMDZXRGPY-UHFFFAOYSA-N 0 0 373.865 4.534 10 0 FJAERN O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(cccc2F)s1 ZINC000004331565 207014078 /nfs/dbraw/zinc/01/40/78/207014078.db2.gz MWJRMGIXOPZMRY-UHFFFAOYSA-N 0 0 371.220 4.760 10 0 FJAERN Cc1ccc2nc(-c3ccc4c(c3)OCO4)c(NCc3ccccc3)n2c1 ZINC000004382733 207016502 /nfs/dbraw/zinc/01/65/02/207016502.db2.gz ZRRAKAUXCADFSN-UHFFFAOYSA-N 0 0 357.413 4.651 10 0 FJAERN CC(C)n1nc(C(=O)Nc2ccccc2C(C)(C)C)c2ccccc2c1=O ZINC000005443232 207100338 /nfs/dbraw/zinc/10/03/38/207100338.db2.gz OWALGCOXSUAGPF-UHFFFAOYSA-N 0 0 363.461 4.527 10 0 FJAERN C[C@H]1[C@@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1 ZINC000005752326 207114847 /nfs/dbraw/zinc/11/48/47/207114847.db2.gz XGWIJUOSCAQSSV-NHYWBVRUSA-N 0 0 352.887 4.981 10 0 FJAERN COc1ccc(NC(=O)c2n[nH]c3c2CSc2ccccc2-3)cc1Cl ZINC000006748597 207160037 /nfs/dbraw/zinc/16/00/37/207160037.db2.gz CIHGAGSNROQWKZ-UHFFFAOYSA-N 0 0 371.849 4.597 10 0 FJAERN Cc1cccc(C)c1OCC(=O)Oc1c(C)cc(Br)cc1C ZINC000006924863 207179121 /nfs/dbraw/zinc/17/91/21/207179121.db2.gz DQTJVGUKBUIIIS-UHFFFAOYSA-N 0 0 363.251 4.667 10 0 FJAERN CCN(CC)c1ccc(C=O)c(OCc2ccc(Br)cc2)c1 ZINC000006869622 207172846 /nfs/dbraw/zinc/17/28/46/207172846.db2.gz OCVPTNMAGVIBSK-UHFFFAOYSA-N 0 0 362.267 4.687 10 0 FJAERN COc1ccc(OC)c(NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000006952276 207181358 /nfs/dbraw/zinc/18/13/58/207181358.db2.gz FCVBZBWVEGUGMT-UHFFFAOYSA-N 0 0 356.369 4.532 10 0 FJAERN CN(C)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000038244269 207187722 /nfs/dbraw/zinc/18/77/22/207187722.db2.gz PPTBTZUMFUTBOK-UHFFFAOYSA-N 0 0 352.441 4.939 10 0 FJAERN Cc1cccc(C)c1OCCCCn1c2ccccc2nc1C(C)(C)O ZINC000008786030 207249919 /nfs/dbraw/zinc/24/99/19/207249919.db2.gz LQNADSWTNUXSGO-UHFFFAOYSA-N 0 0 352.478 4.740 10 0 FJAERN CCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1 ZINC000009230855 207262537 /nfs/dbraw/zinc/26/25/37/207262537.db2.gz OPGCMLXFGBDDPA-UHFFFAOYSA-N 0 0 354.450 4.856 10 0 FJAERN CCCCCOc1ccc(C(=O)Nc2ccc(OCCOCC)cc2)cc1 ZINC000009878771 207288288 /nfs/dbraw/zinc/28/82/88/207288288.db2.gz DEKZZMGDOIORKT-UHFFFAOYSA-N 0 0 371.477 4.923 10 0 FJAERN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2c(C)cccc2C)c1 ZINC000010122902 207294523 /nfs/dbraw/zinc/29/45/23/207294523.db2.gz NVKMGLFPTIJCGL-OAHLLOKOSA-N 0 0 356.491 4.608 10 0 FJAERN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000010121890 207294547 /nfs/dbraw/zinc/29/45/47/207294547.db2.gz BGQCQBVIGVMKTD-HNNXBMFYSA-N 0 0 356.491 4.608 10 0 FJAERN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1 ZINC000010121951 207295374 /nfs/dbraw/zinc/29/53/74/207295374.db2.gz FIKPGYGBOKUYIW-CQSZACIVSA-N 0 0 356.491 4.608 10 0 FJAERN C[C@H](C(=O)c1ccccc1)n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000011991092 207332145 /nfs/dbraw/zinc/33/21/45/207332145.db2.gz SKFFSCJFFIUUMZ-CQSZACIVSA-N 0 0 360.438 4.569 10 0 FJAERN O=C(NCc1ccccc1)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000012210040 207348845 /nfs/dbraw/zinc/34/88/45/207348845.db2.gz KLHABNBAGAYEKH-JOCHJYFZSA-N 0 0 372.468 4.644 10 0 FJAERN Cc1cccc(N2C(=N)S/C(=C\c3ccc(Br)cc3)C2=O)c1 ZINC000015053114 207541778 /nfs/dbraw/zinc/54/17/78/207541778.db2.gz JGXPTUZAOMMIOX-QFULKBQASA-N 0 0 373.275 4.813 10 0 FJAERN CCCC(CCC)C(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000021127327 207764937 /nfs/dbraw/zinc/76/49/37/207764937.db2.gz UVLSJLAJSZUHPM-UHFFFAOYSA-N 0 0 370.493 4.770 10 0 FJAERN CNC(=O)c1cc(N[C@@H](C)c2ccc(Br)s2)ccc1Cl ZINC000038003449 207798857 /nfs/dbraw/zinc/79/88/57/207798857.db2.gz CCWQTYDBRIDNKB-QMMMGPOBSA-N 0 0 373.703 4.697 10 0 FJAERN C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000028793999 207973343 /nfs/dbraw/zinc/97/33/43/207973343.db2.gz YBPMLQZCTQAFLH-NSHDSACASA-N 0 0 362.260 4.680 10 0 FJAERN Cc1ccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)cc1Cl ZINC000032526931 208028859 /nfs/dbraw/zinc/02/88/59/208028859.db2.gz KBKZRFZNMFXARX-UHFFFAOYSA-N 0 0 368.864 4.609 10 0 FJAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000032530748 208029404 /nfs/dbraw/zinc/02/94/04/208029404.db2.gz SJIPTHPWCBRZSS-UHFFFAOYSA-N 0 0 363.457 4.540 10 0 FJAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1ccc(Cl)cc1C ZINC000032530678 208029646 /nfs/dbraw/zinc/02/96/46/208029646.db2.gz JGQMRLMEDOWVDY-UHFFFAOYSA-N 0 0 368.864 4.527 10 0 FJAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1ccccc1C(C)C ZINC000032530776 208030240 /nfs/dbraw/zinc/03/02/40/208030240.db2.gz BZKFVAQOXIMLRP-UHFFFAOYSA-N 0 0 362.473 4.689 10 0 FJAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCC(=O)Nc1cccc(Cl)c1 ZINC000032527348 208030562 /nfs/dbraw/zinc/03/05/62/208030562.db2.gz UOXYITVOQOUALP-UHFFFAOYSA-N 0 0 368.864 4.609 10 0 FJAERN Cc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCC2)cc1 ZINC000032604226 208034693 /nfs/dbraw/zinc/03/46/93/208034693.db2.gz HOWAAWIQYHTSQA-UHFFFAOYSA-N 0 0 372.415 4.868 10 0 FJAERN Cc1nn(C)c(Cl)c1/C=C\c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000033374135 208089798 /nfs/dbraw/zinc/08/97/98/208089798.db2.gz MKMMTYGPWUNHDE-KHPPLWFESA-N 0 0 356.857 4.900 10 0 FJAERN Cc1cccc(C(=O)Oc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000033395119 208090816 /nfs/dbraw/zinc/09/08/16/208090816.db2.gz NQAYUVYBFMZBOQ-GDNBJRDFSA-N 0 0 355.440 4.543 10 0 FJAERN CCC(=O)N(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)[C@@H](C)CC ZINC000035972106 208139576 /nfs/dbraw/zinc/13/95/76/208139576.db2.gz GMHWEVJGUOAELH-KRWDZBQOSA-N 0 0 370.541 4.599 10 0 FJAERN Cc1nc2c(nc(SCc3ccccn3)nc2-c2ccccc2)s1 ZINC000035682693 208135421 /nfs/dbraw/zinc/13/54/21/208135421.db2.gz WNKIULFFFRRSIP-UHFFFAOYSA-N 0 0 350.472 4.749 10 0 FJAERN Cn1cccc1CN(Cc1ccco1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035688097 208135669 /nfs/dbraw/zinc/13/56/69/208135669.db2.gz VBSSDTUTGMPQSE-UHFFFAOYSA-N 0 0 363.244 4.768 10 0 FJAERN Cc1cc(I)ccc1NCc1ccccc1Cl ZINC000035039196 208116901 /nfs/dbraw/zinc/11/69/01/208116901.db2.gz HIYGXXIDHKMPPM-UHFFFAOYSA-N 0 0 357.622 4.865 10 0 FJAERN Cc1nc(NC(=O)c2ccco2)sc1Cc1cccc(C(F)(F)F)c1 ZINC000036639511 208169349 /nfs/dbraw/zinc/16/93/49/208169349.db2.gz AINPKGQKNHSFCP-UHFFFAOYSA-N 0 0 366.364 4.906 10 0 FJAERN CCOC(=O)c1cc(-c2ccc(Br)cc2)oc1NC(C)C ZINC000039126670 208207881 /nfs/dbraw/zinc/20/78/81/208207881.db2.gz ILLOGJGNHHFYMM-UHFFFAOYSA-N 0 0 352.228 4.706 10 0 FJAERN Cc1ccc(OCc2c(N)cccc2Br)c(Br)c1 ZINC000037402258 208180284 /nfs/dbraw/zinc/18/02/84/208180284.db2.gz OYYJWFWNDRGKEE-UHFFFAOYSA-N 0 0 371.072 4.681 10 0 FJAERN COc1cc(-c2noc(-c3ccco3)n2)ccc1OCc1ccccc1F ZINC000037547688 208181762 /nfs/dbraw/zinc/18/17/62/208181762.db2.gz ZAHYOVMOQOKUHM-UHFFFAOYSA-N 0 0 366.348 4.723 10 0 FJAERN O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(C2CCCCC2)cc1 ZINC000038224759 208201005 /nfs/dbraw/zinc/20/10/05/208201005.db2.gz CHXDTVSEOSVSFP-UHFFFAOYSA-N 0 0 373.456 4.737 10 0 FJAERN COc1ccc(C(C)=O)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000040179520 208241263 /nfs/dbraw/zinc/24/12/63/208241263.db2.gz IWMMIFAGWAUVPD-UHFFFAOYSA-N 0 0 361.397 4.942 10 0 FJAERN COc1ccc(Oc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000040179169 208241526 /nfs/dbraw/zinc/24/15/26/208241526.db2.gz QJJVZZGIPULLTO-UHFFFAOYSA-N 0 0 359.425 4.686 10 0 FJAERN O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(Br)cc1 ZINC000040165883 208242216 /nfs/dbraw/zinc/24/22/16/208242216.db2.gz GXIJCZBJFJHQCJ-UHFFFAOYSA-N 0 0 362.610 4.870 10 0 FJAERN Cc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 ZINC000040179990 208242346 /nfs/dbraw/zinc/24/23/46/208242346.db2.gz XMTPVBKLLKISMD-UHFFFAOYSA-N 0 0 354.841 4.605 10 0 FJAERN COCc1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040232064 208243012 /nfs/dbraw/zinc/24/30/12/208243012.db2.gz KTXPTQXFKFRXTH-UHFFFAOYSA-N 0 0 352.478 4.949 10 0 FJAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 ZINC000040249365 208243203 /nfs/dbraw/zinc/24/32/03/208243203.db2.gz ZBMOVSBOQIYEEN-UHFFFAOYSA-N 0 0 355.441 4.675 10 0 FJAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 ZINC000040239566 208243990 /nfs/dbraw/zinc/24/39/90/208243990.db2.gz XPHSMZFUQAPVGN-UHFFFAOYSA-N 0 0 355.441 4.675 10 0 FJAERN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000040271603 208245090 /nfs/dbraw/zinc/24/50/90/208245090.db2.gz CPUZAXOMLNPYCN-LJQANCHMSA-N 0 0 373.500 4.733 10 0 FJAERN COc1cc(C(=O)Oc2ccc(C)cc2C(C)(C)C)cc(OC)c1OC ZINC000040883250 208272466 /nfs/dbraw/zinc/27/24/66/208272466.db2.gz CDCYZPSZNZRMKH-UHFFFAOYSA-N 0 0 358.434 4.538 10 0 FJAERN CCCc1ccc(OCC(=O)Nc2nc3c(ccc(C)c3C)s2)cc1 ZINC000040965594 208277043 /nfs/dbraw/zinc/27/70/43/208277043.db2.gz UGZQEMQAZNDNLP-UHFFFAOYSA-N 0 0 354.475 4.883 10 0 FJAERN CCSc1nn2c(CC)c(-c3ccc(Br)cc3)nc2s1 ZINC000040965096 208277467 /nfs/dbraw/zinc/27/74/67/208277467.db2.gz SMPXERWHCTXFRY-UHFFFAOYSA-N 0 0 368.325 4.895 10 0 FJAERN Cc1c(-c2ccc(C)c(C)c2)nc2sc3cc(S(C)(=O)=O)ccc3n12 ZINC000040964921 208277510 /nfs/dbraw/zinc/27/75/10/208277510.db2.gz XZBDBWGOEHMESV-UHFFFAOYSA-N 0 0 370.499 4.545 10 0 FJAERN CCOc1ccc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000040999963 208278641 /nfs/dbraw/zinc/27/86/41/208278641.db2.gz KFBABMYLGOFSBZ-UHFFFAOYSA-N 0 0 368.260 4.972 10 0 FJAERN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000040271605 208245706 /nfs/dbraw/zinc/24/57/06/208245706.db2.gz CPUZAXOMLNPYCN-IBGZPJMESA-N 0 0 373.500 4.733 10 0 FJAERN Cc1ccc(C(=O)Nc2ccc(Cc3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000040323124 208247651 /nfs/dbraw/zinc/24/76/51/208247651.db2.gz RBSYFBBWVFNWRV-UHFFFAOYSA-N 0 0 369.424 4.888 10 0 FJAERN O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(F)c1 ZINC000040300737 208247959 /nfs/dbraw/zinc/24/79/59/208247959.db2.gz AUYMVBVXBDVSBY-BUHFOSPRSA-N 0 0 371.415 4.985 10 0 FJAERN CCOc1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC ZINC000040999959 208279260 /nfs/dbraw/zinc/27/92/60/208279260.db2.gz NOCKRTJJRCJLGB-UHFFFAOYSA-N 0 0 368.260 4.972 10 0 FJAERN COc1cc2nccc(Oc3cc(C)c(C)cc3C(C)=O)c2cc1OC ZINC000040425439 208253081 /nfs/dbraw/zinc/25/30/81/208253081.db2.gz AAUXGXRHLYYHSO-UHFFFAOYSA-N 0 0 351.402 4.864 10 0 FJAERN COc1ccc(CCn2c(C3CC3)nc3cccc(Cl)c32)cc1OC ZINC000040406871 208253396 /nfs/dbraw/zinc/25/33/96/208253396.db2.gz GNZKGMYAZLBNTR-UHFFFAOYSA-N 0 0 356.853 4.827 10 0 FJAERN Cc1[nH]c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)o3)cc2c1C ZINC000040564144 208256501 /nfs/dbraw/zinc/25/65/01/208256501.db2.gz SCCDSSABUGUMMZ-UHFFFAOYSA-N 0 0 366.808 4.740 10 0 FJAERN Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1N1CCc2ccccc21 ZINC000040687382 208263130 /nfs/dbraw/zinc/26/31/30/208263130.db2.gz WXWIAPJOHLCGSC-UHFFFAOYSA-N 0 0 372.259 4.803 10 0 FJAERN Cc1cc(Oc2ncnc(NNc3ccccc3)c2N)cc(C)c1Cl ZINC000040757579 208267249 /nfs/dbraw/zinc/26/72/49/208267249.db2.gz CUNUXGOQLDJGQH-UHFFFAOYSA-N 0 0 355.829 4.560 10 0 FJAERN Cc1ccc(Nc2ncnc(Oc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040752303 208267535 /nfs/dbraw/zinc/26/75/35/208267535.db2.gz KWNADMBRIRDDHJ-UHFFFAOYSA-N 0 0 357.417 4.760 10 0 FJAERN Nc1c(Nc2cc(Cl)ccc2Cl)[nH]cnc1=NNc1ccccc1 ZINC000040757426 208268761 /nfs/dbraw/zinc/26/87/61/208268761.db2.gz LTPHRVLLOIDDEB-UHFFFAOYSA-N 0 0 361.236 4.548 10 0 FJAERN COc1ccc(Oc2ncnc(Oc3cccc4ccc(C)nc43)c2N)cc1 ZINC000040752405 208268924 /nfs/dbraw/zinc/26/89/24/208268924.db2.gz MXLQHSHDLYTMAB-UHFFFAOYSA-N 0 0 374.400 4.509 10 0 FJAERN Cc1cccc(Nc2ncnc(Nc3cccc(C(F)(F)F)c3)c2N)c1 ZINC000040781618 208270562 /nfs/dbraw/zinc/27/05/62/208270562.db2.gz QUSUYFFNOOJLEE-UHFFFAOYSA-N 0 0 359.355 4.873 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3cccc(C(F)(F)F)c3)c2N)cc1 ZINC000040781907 208270598 /nfs/dbraw/zinc/27/05/98/208270598.db2.gz VUSAJPQZLPHRKT-UHFFFAOYSA-N 0 0 359.355 4.873 10 0 FJAERN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)nc1 ZINC000040783318 208270980 /nfs/dbraw/zinc/27/09/80/208270980.db2.gz SYLLMHHQKZMTGH-UHFFFAOYSA-N 0 0 361.236 4.556 10 0 FJAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1cccc2ncccc21 ZINC000040782180 208271123 /nfs/dbraw/zinc/27/11/23/208271123.db2.gz RVJUGSGZKZLENX-UHFFFAOYSA-N 0 0 362.824 4.748 10 0 FJAERN Nc1ccc(Nc2cc(Br)ccc2Br)c(F)c1 ZINC000042577419 208294304 /nfs/dbraw/zinc/29/43/04/208294304.db2.gz SMWBHHHSXKMSJV-UHFFFAOYSA-N 0 0 360.024 4.677 10 0 FJAERN Fc1ccccc1[C@H]1C[C@H]1c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000299741589 208337647 /nfs/dbraw/zinc/33/76/47/208337647.db2.gz GPWBIMZJXKUWRB-DODZYUBVSA-N 0 0 350.393 4.725 10 0 FJAERN O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1 ZINC000047133434 208372326 /nfs/dbraw/zinc/37/23/26/208372326.db2.gz SLBUHJXXNVHBOI-UHFFFAOYSA-N 0 0 353.809 4.521 10 0 FJAERN Cc1cccc(CNCc2cccnc2Oc2cccc(C(F)(F)F)c2)n1 ZINC000055199047 208468511 /nfs/dbraw/zinc/46/85/11/208468511.db2.gz JGLUCQRHFVXOMN-UHFFFAOYSA-N 0 0 373.378 4.886 10 0 FJAERN CCOC(=O)c1sc2ncnc(Nc3cc(Cl)ccc3C)c2c1C ZINC000019954801 220306172 /nfs/dbraw/zinc/30/61/72/220306172.db2.gz CVMABJJRPDQLOL-UHFFFAOYSA-N 0 0 361.854 4.882 10 0 FJAERN CCc1ccccc1N1C[C@H](C(=O)Nc2ccc([C@H](C)CC)cc2)CC1=O ZINC000020371557 220323676 /nfs/dbraw/zinc/32/36/76/220323676.db2.gz VHLFBSQOHWJUPJ-VQIMIIECSA-N 0 0 364.489 4.754 10 0 FJAERN Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c(C)c1 ZINC000020369441 220323857 /nfs/dbraw/zinc/32/38/57/220323857.db2.gz WLYBQADLPVASQB-UHFFFAOYSA-N 0 0 358.441 4.737 10 0 FJAERN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc(O)c2)n1 ZINC000020537195 220333278 /nfs/dbraw/zinc/33/32/78/220333278.db2.gz JPWGXEVOALZQII-DEOSSOPVSA-N 0 0 369.468 4.725 10 0 FJAERN CC[C@H](Nc1cccc(I)c1)c1ccc(OC)cc1 ZINC000020478693 220328245 /nfs/dbraw/zinc/32/82/45/220328245.db2.gz GQXGFDZRRNQMDA-INIZCTEOSA-N 0 0 367.230 4.863 10 0 FJAERN CCc1ccc(OCC(=O)Nc2ccc(CC)cc2Br)cc1 ZINC000065000512 208629435 /nfs/dbraw/zinc/62/94/35/208629435.db2.gz IAHDKKHVAUOCCA-UHFFFAOYSA-N 0 0 362.267 4.591 10 0 FJAERN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)cc2Cl)n1Cc1ccco1 ZINC000021104881 220351052 /nfs/dbraw/zinc/35/10/52/220351052.db2.gz GIWXWDDCRLTESU-KRWDZBQOSA-N 0 0 374.227 4.748 10 0 FJAERN Cc1noc(-c2cccc(F)c2)c1C(=O)NCCCCc1ccccc1 ZINC000022648279 220394452 /nfs/dbraw/zinc/39/44/52/220394452.db2.gz GHULWRGPHLEWHB-UHFFFAOYSA-N 0 0 352.409 4.542 10 0 FJAERN CCOC(=O)c1sc2nc(C)nc(N[C@@H](C)c3ccccc3)c2c1C ZINC000072260916 208826454 /nfs/dbraw/zinc/82/64/54/208826454.db2.gz KVHYLGCECRESGP-LBPRGKRZSA-N 0 0 355.463 4.658 10 0 FJAERN CCc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450797 208865690 /nfs/dbraw/zinc/86/56/90/208865690.db2.gz MCLMLRSGJYRGOM-UHFFFAOYSA-N 0 0 352.821 4.510 10 0 FJAERN O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1CCc2ccccc2C1 ZINC000027983281 220554572 /nfs/dbraw/zinc/55/45/72/220554572.db2.gz AWGUYRZLGOZCAM-UHFFFAOYSA-N 0 0 373.452 4.546 10 0 FJAERN CC(C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2nc1C(C)(C)C ZINC000040239326 220897442 /nfs/dbraw/zinc/89/74/42/220897442.db2.gz VDDOUSRDULZQGV-UHFFFAOYSA-N 0 0 363.505 4.771 10 0 FJAERN CC(C)OC(=O)Cn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235880 220896607 /nfs/dbraw/zinc/89/66/07/220896607.db2.gz AGEFPIRFNADZIS-UHFFFAOYSA-N 0 0 366.461 4.690 10 0 FJAERN COc1ccc(Cl)cc1Nc1ncnc(Sc2ccc(C)cc2)c1N ZINC000040702462 220917031 /nfs/dbraw/zinc/91/70/31/220917031.db2.gz UNHARPUVMHPLEY-UHFFFAOYSA-N 0 0 372.881 4.924 10 0 FJAERN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1C ZINC000040870957 220923311 /nfs/dbraw/zinc/92/33/11/220923311.db2.gz JYFWLFVFZSRYKW-UHFFFAOYSA-N 0 0 370.449 4.892 10 0 FJAERN Cc1cc(OCC(=O)NC2CCCCC2)c(Br)c(C)c1Cl ZINC000040942210 220924835 /nfs/dbraw/zinc/92/48/35/220924835.db2.gz IHXRQRPOWMIGDU-UHFFFAOYSA-N 0 0 374.706 4.547 10 0 FJAERN CCOC(=O)Nc1sc(C)c(-c2cccc(Cl)c2)c1C(=O)OC ZINC000041012900 220926857 /nfs/dbraw/zinc/92/68/57/220926857.db2.gz MQJGEFGAQHOVRN-UHFFFAOYSA-N 0 0 353.827 4.732 10 0 FJAERN COc1ccccc1Oc1ncnc(Oc2cccc3ccc(C)nc32)c1N ZINC000040752403 220919264 /nfs/dbraw/zinc/91/92/64/220919264.db2.gz RQEOYDXIMDCWLY-UHFFFAOYSA-N 0 0 374.400 4.509 10 0 FJAERN Cc1ccc(Oc2ncnc(Oc3cccc4cccnc43)c2N)cc1C ZINC000040752237 220919433 /nfs/dbraw/zinc/91/94/33/220919433.db2.gz OLSRBXNDTTZHSB-UHFFFAOYSA-N 0 0 358.401 4.808 10 0 FJAERN Cc1ccc2c(cccc2Nc2ncnc(Nc3ccccc3F)c2N)n1 ZINC000040759364 220922117 /nfs/dbraw/zinc/92/21/17/220922117.db2.gz BFESMJBRFQTOSG-UHFFFAOYSA-N 0 0 360.396 4.542 10 0 FJAERN CCCCCCNC(=O)c1cc(Br)c(Br)s1 ZINC000095081978 209018485 /nfs/dbraw/zinc/01/84/85/209018485.db2.gz OYUUWKMAUASSNU-UHFFFAOYSA-N 0 0 369.122 4.583 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOCC(=O)c1cccs1 ZINC000095086282 209019807 /nfs/dbraw/zinc/01/98/07/209019807.db2.gz BFXBACTYVUDNNR-OAHLLOKOSA-N 0 0 367.511 4.517 10 0 FJAERN C[C@H](OCCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1nccs1 ZINC000095089519 209020735 /nfs/dbraw/zinc/02/07/35/209020735.db2.gz RATXPIJFVWXJAE-GJZGRUSLSA-N 0 0 354.516 4.791 10 0 FJAERN C[C@H](Nc1ncccc1Br)c1cccc(Br)c1 ZINC000048759339 221014513 /nfs/dbraw/zinc/01/45/13/221014513.db2.gz HEXAKFINKLYVMI-VIFPVBQESA-N 0 0 356.061 4.780 10 0 FJAERN O[C@H](Cc1ccc(F)c(Br)c1)c1cccc(Br)c1 ZINC000049598473 221026271 /nfs/dbraw/zinc/02/62/71/221026271.db2.gz WPARIGLVSVMPDM-CQSZACIVSA-N 0 0 374.047 4.627 10 0 FJAERN Brc1cccc(Br)c1OCCNc1ccccc1 ZINC000053568206 221046920 /nfs/dbraw/zinc/04/69/20/221046920.db2.gz HLBNFBDIPLNRGY-UHFFFAOYSA-N 0 0 371.072 4.703 10 0 FJAERN CC[C@H](O)c1ccc(-c2cc(Br)ccc2Br)o1 ZINC000054107542 221050177 /nfs/dbraw/zinc/05/01/77/221050177.db2.gz TWFMZRWUAMRUPL-NSHDSACASA-N 0 0 360.045 4.915 10 0 FJAERN CCCOC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000054644567 221054597 /nfs/dbraw/zinc/05/45/97/221054597.db2.gz XIXWCWOBXSYHSC-UHFFFAOYSA-N 0 0 357.793 4.905 10 0 FJAERN Oc1ccccc1C1=N[C@H](c2cccs2)N[C@H](c2ccc(F)cc2)C1 ZINC000058015097 221097520 /nfs/dbraw/zinc/09/75/20/221097520.db2.gz KRBNFUVRHRDULX-OXJNMPFZSA-N 0 0 352.434 4.815 10 0 FJAERN CC(C)n1cnc2ccc(-c3noc(-c4nccc5ccccc54)n3)cc21 ZINC000065240636 221184675 /nfs/dbraw/zinc/18/46/75/221184675.db2.gz OUCOKINRVODBDR-UHFFFAOYSA-N 0 0 355.401 4.882 10 0 FJAERN Fc1cc(Br)ccc1OCc1ccc(Br)cc1 ZINC000070133813 221332012 /nfs/dbraw/zinc/33/20/12/221332012.db2.gz DDWYFHAUSPESHV-UHFFFAOYSA-N 0 0 360.020 4.930 10 0 FJAERN Clc1cnc(Oc2ccc(I)cc2)c(Cl)c1 ZINC000070130724 221331189 /nfs/dbraw/zinc/33/11/89/221331189.db2.gz PEYRESOLRHWWMN-UHFFFAOYSA-N 0 0 365.985 4.785 10 0 FJAERN Fc1ccc(COc2ccc(I)cc2)c(Cl)c1 ZINC000070133801 221331471 /nfs/dbraw/zinc/33/14/71/221331471.db2.gz DVUBMUSIWNTABX-UHFFFAOYSA-N 0 0 362.569 4.663 10 0 FJAERN O=C(NCc1ccccc1Br)c1cc(Cl)cc(Cl)c1 ZINC000070140597 221331592 /nfs/dbraw/zinc/33/15/92/221331592.db2.gz JKIQBDSDMHREKP-UHFFFAOYSA-N 0 0 359.050 4.686 10 0 FJAERN CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1 ZINC000226254355 132249925 /nfs/dbraw/zinc/24/99/25/132249925.db2.gz XZEWVJHKLNDREF-UHFFFAOYSA-N 0 0 351.494 4.881 10 0 FJAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000226254924 132250281 /nfs/dbraw/zinc/25/02/81/132250281.db2.gz JKAJOTWAZMEYHW-UHFFFAOYSA-N 0 0 364.276 4.818 10 0 FJAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC[C@H]1C ZINC000226330386 132250670 /nfs/dbraw/zinc/25/06/70/132250670.db2.gz WLTYODXHAXIIHG-CQSZACIVSA-N 0 0 357.885 4.862 10 0 FJAERN COc1cccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)c1 ZINC000226331574 132250923 /nfs/dbraw/zinc/25/09/23/132250923.db2.gz JOSSNEINGUIPME-HOTGVXAUSA-N 0 0 367.493 4.605 10 0 FJAERN CCCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 ZINC000226268332 132374887 /nfs/dbraw/zinc/37/48/87/132374887.db2.gz VKTRLNNRLBYBFQ-INIZCTEOSA-N 0 0 367.493 4.689 10 0 FJAERN CCCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 ZINC000226268374 132374901 /nfs/dbraw/zinc/37/49/01/132374901.db2.gz WFXAAAGBNGYWIQ-UHFFFAOYSA-N 0 0 367.493 4.690 10 0 FJAERN O=C1CCN(c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073679066 132376765 /nfs/dbraw/zinc/37/67/65/132376765.db2.gz IHQBPSGAIVBUEJ-UHFFFAOYSA-N 0 0 363.848 4.633 10 0 FJAERN Cc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 ZINC000033272148 136117625 /nfs/dbraw/zinc/11/76/25/136117625.db2.gz PGWWZRQLCYNHLF-UHFFFAOYSA-N 0 0 372.472 4.695 10 0 FJAERN Cc1ccc(Nc2ncnc(N3CCCc4ccccc43)c2N)cc1Cl ZINC000040703701 136119832 /nfs/dbraw/zinc/11/98/32/136119832.db2.gz SRIRDRPSYOMXIC-UHFFFAOYSA-N 0 0 365.868 4.849 10 0 FJAERN Cc1ccc(Oc2ncnc(N3CCC(Cc4ccccc4)CC3)c2N)cc1 ZINC000040729450 136120322 /nfs/dbraw/zinc/12/03/22/136120322.db2.gz GLPLYTXVTWRPGU-UHFFFAOYSA-N 0 0 374.488 4.619 10 0 FJAERN CC[C@H](C)c1ccccc1Oc1nc2ccccc2nc1N1CCOCC1 ZINC000064438541 136133214 /nfs/dbraw/zinc/13/32/14/136133214.db2.gz CZCYLPBZFNNTJM-INIZCTEOSA-N 0 0 363.461 4.772 10 0 FJAERN CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000073654788 221564808 /nfs/dbraw/zinc/56/48/08/221564808.db2.gz HRIBBYFFCAARPS-JKSUJKDBSA-N 0 0 370.534 4.525 10 0 FJAERN Clc1ccc(/C=C\c2nn3c(nnc3-c3ccncc3)s2)c(Cl)c1 ZINC000096503691 222122393 /nfs/dbraw/zinc/12/23/93/222122393.db2.gz RVJDUWBCBNHWHY-RQOWECAXSA-N 0 0 374.256 4.725 10 0 FJAERN Cc1ccc2sc(-c3ccc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)cc3)nc2c1 ZINC000100309360 222240150 /nfs/dbraw/zinc/24/01/50/222240150.db2.gz NKFRCYSMFYXDNP-CALCHBBNSA-N 0 0 374.465 4.727 10 0 FJAERN O=C(Cc1ccc(F)cc1Br)c1ccccc1Br ZINC000103943170 222347593 /nfs/dbraw/zinc/34/75/93/222347593.db2.gz SKADSFLBZSAMLH-UHFFFAOYSA-N 0 0 372.031 4.776 10 0 FJAERN Cc1ccc(C[C@H](O)c2cc(Br)ccc2Br)cc1 ZINC000104033164 222348012 /nfs/dbraw/zinc/34/80/12/222348012.db2.gz RUGYANRIMUIYNA-HNNXBMFYSA-N 0 0 370.084 4.796 10 0 FJAERN Cc1ccc(Nc2ccc(C(N)=S)c(Cl)c2)cc1Br ZINC000104052142 222348889 /nfs/dbraw/zinc/34/88/89/222348889.db2.gz IXICUVHNDKZSMG-UHFFFAOYSA-N 0 0 355.688 4.789 10 0 FJAERN C[C@@H](Cc1ccco1)Nc1cc(Br)ccc1Br ZINC000104027309 222349022 /nfs/dbraw/zinc/34/90/22/222349022.db2.gz ZKQAIKRARGWYIF-VIFPVBQESA-N 0 0 359.061 4.848 10 0 FJAERN O[C@H](CNc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 ZINC000104017432 222349154 /nfs/dbraw/zinc/34/91/54/222349154.db2.gz AJCWMHLZUXXTRJ-CQSZACIVSA-N 0 0 361.066 4.901 10 0 FJAERN Nc1cccc(Cl)c1C(=O)Nc1ccc(Br)cc1Cl ZINC000104337287 222355897 /nfs/dbraw/zinc/35/58/97/222355897.db2.gz GDWJERQYYZBEGB-UHFFFAOYSA-N 0 0 360.038 4.590 10 0 FJAERN COc1ccc(C)cc1NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000107501400 222396199 /nfs/dbraw/zinc/39/61/99/222396199.db2.gz KRZDIJSCKCGIHJ-GFCCVEGCSA-N 0 0 363.255 4.649 10 0 FJAERN CC1(C)CSC(N(CC(=O)c2ccc(Cl)cc2)c2ccccc2)=N1 ZINC000004614481 263334956 /nfs/dbraw/zinc/33/49/56/263334956.db2.gz PVWACZDCADBSGZ-UHFFFAOYSA-N 0 0 358.894 4.911 10 0 FJAERN Cc1cc(Br)cn2cc(-c3cccc(Br)c3)nc12 ZINC000032647083 263392973 /nfs/dbraw/zinc/39/29/73/263392973.db2.gz FRENHLKTDWYKAY-UHFFFAOYSA-N 0 0 366.056 4.835 10 0 FJAERN O=C(c1sc(Cl)nc1C(F)(F)F)c1ccc(Br)cc1 ZINC000216962419 263458196 /nfs/dbraw/zinc/45/81/96/263458196.db2.gz ICEBXEUWVKKHLE-UHFFFAOYSA-N 0 0 370.577 4.809 10 0 FJAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CSCc1ccc(Cl)nc1 ZINC000085332934 518803999 /nfs/dbraw/zinc/80/39/99/518803999.db2.gz CCWJUKWSKXJWCS-CQSZACIVSA-N 0 0 356.919 4.758 10 0 FJAERN CC(C)(C)OC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(C)(C)C)c1 ZINC000238853909 518840116 /nfs/dbraw/zinc/84/01/16/518840116.db2.gz LQLBLPJQDHZKSA-UHFFFAOYSA-N 0 0 364.486 5.678 10 0 FJAERN Cc1ccccc1OCc1nc2ccccc2n1Cc1nc2ccccc2[nH]1 ZINC000073636145 525316476 /nfs/dbraw/zinc/31/64/76/525316476.db2.gz RQQXTAMASOATLW-UHFFFAOYSA-N 0 0 368.440 4.848 10 0 FJAERN c1ccc(CNc2cc(-c3ccc(OCc4ccccc4)nc3)ncn2)cc1 ZINC000091352111 526472374 /nfs/dbraw/zinc/47/23/74/526472374.db2.gz FWAZMLSTMCBNAV-UHFFFAOYSA-N 0 0 368.440 4.730 10 0 FJAERN CC(C)=CC[C@@H]1[C@H](C2=NO[C@H](c3ccccc3)C2)CC[C@@H]1C1OCCO1 ZINC000334161948 527455251 /nfs/dbraw/zinc/45/52/51/527455251.db2.gz HSLQKXUHWKOIRG-BNDYYXHWSA-N 0 0 355.478 4.876 10 0 FJAERN CCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 ZINC000226267361 535327242 /nfs/dbraw/zinc/32/72/42/535327242.db2.gz OXZBSQMTLXHDLO-UHFFFAOYSA-N 0 0 367.493 4.690 10 0 FJAERN COc1c(C)c(C[C@@H](C)O)c2[nH]c3ccc(CC=C(C)C)cc3c2c1O ZINC000006068925 560204974 /nfs/dbraw/zinc/20/49/74/560204974.db2.gz SDXRDEAECLPZHL-CYBMUJFWSA-N 0 0 353.462 4.776 10 0 in-vitro FJAERN CSc1ccc([C@@H](C)Nc2ccc(Cc3nnc4n3CCC4)cc2)cc1 ZINC000188591670 567975236 /nfs/dbraw/zinc/97/52/36/567975236.db2.gz MGPBUBJAGZYROY-OAHLLOKOSA-N 0 0 364.518 4.710 10 0 FJAERN CCc1ccc([C@H](C)N[C@H](C)c2ncc(Br)cc2F)cc1 ZINC000186917086 568009254 /nfs/dbraw/zinc/00/92/54/568009254.db2.gz VBYKOIBINRQXQP-NWDGAFQWSA-N 0 0 351.263 4.957 10 0 FJAERN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1Br ZINC000008055777 568295727 /nfs/dbraw/zinc/29/57/27/568295727.db2.gz ZOLMYBAUMKRKJU-SNVBAGLBSA-N 0 0 368.658 4.602 10 0 FJAERN CC(C)(C)c1cc(C(=O)Oc2ccccc2)n(Cc2ccc(F)cc2)n1 ZINC000004395003 570589659 /nfs/dbraw/zinc/58/96/59/570589659.db2.gz NKMYGJBTLDNOLB-UHFFFAOYSA-N 0 0 352.409 4.587 10 0 FJAERN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226861393 570612107 /nfs/dbraw/zinc/61/21/07/570612107.db2.gz KWSFOFURAIGHTP-UHFFFAOYSA-N 0 0 357.862 4.701 10 0 FJAERN Cc1ccc(Cc2c(C)nc(SCc3ccccc3C)n(C)c2=O)cc1 ZINC000004424312 570779780 /nfs/dbraw/zinc/77/97/80/570779780.db2.gz ISJPCFGDJKDVQY-UHFFFAOYSA-N 0 0 364.514 4.589 10 0 FJAERN COc1ccc(CNC(=O)c2ccc(-c3ccc(F)c(F)c3)s2)cc1 ZINC000023304051 570961588 /nfs/dbraw/zinc/96/15/88/570961588.db2.gz BDZRPLGZUILPHS-UHFFFAOYSA-N 0 0 359.397 4.632 10 0 FJAERN CCOc1ccc(Nc2nsc(Nc3ccc(OCC)cc3)n2)cc1 ZINC000024829032 570983091 /nfs/dbraw/zinc/98/30/91/570983091.db2.gz LJTDZHLWBPXQDQ-UHFFFAOYSA-N 0 0 356.451 4.823 10 0 FJAERN CCc1[nH]nc(-c2ccccc2OC)c1NC(=O)[C@@H](CC)c1ccccc1 ZINC000034796267 571074581 /nfs/dbraw/zinc/07/45/81/571074581.db2.gz LUJXAKUREVSGOR-INIZCTEOSA-N 0 0 363.461 4.780 10 0 FJAERN Fc1c(Br)cccc1C[NH2+]CCC1CCC(F)(F)CC1 ZINC000725269832 571151308 /nfs/dbraw/zinc/15/13/08/571151308.db2.gz ZSXBNKRKODZYMT-UHFFFAOYSA-N 0 0 350.222 4.893 10 0 FJAERN Cc1cccc(-c2nnc(-c3cnc4onc(-c5ccccc5)c4c3)o2)c1 ZINC000075134629 571156696 /nfs/dbraw/zinc/15/66/96/571156696.db2.gz YFXLKCDUQUZWKT-UHFFFAOYSA-N 0 0 354.369 4.915 10 0 FJAERN CCc1ccc(-c2[nH]c3ccccc3c2NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000075343542 571161694 /nfs/dbraw/zinc/16/16/94/571161694.db2.gz KYPCAEVAJAIZOQ-KRWDZBQOSA-N 0 0 363.461 4.698 10 0 FJAERN COc1ccc(Nc2nc(C(=O)N3CCCCCC3)cc3occc32)cc1 ZINC000075436587 571178865 /nfs/dbraw/zinc/17/88/65/571178865.db2.gz MJMGFHALSKFZPZ-UHFFFAOYSA-N 0 0 365.433 4.596 10 0 FJAERN O=C(Nc1ccc(Cl)cc1)Nc1cnc(Oc2ccccc2F)nc1 ZINC000224289930 571198319 /nfs/dbraw/zinc/19/83/19/571198319.db2.gz QFHUHODGWPIVIX-UHFFFAOYSA-N 0 0 358.760 4.705 10 0 FJAERN Cc1sc2nc(CCc3ccccc3)nc(N3CCSCC3)c2c1C ZINC000035892880 571208993 /nfs/dbraw/zinc/20/89/93/571208993.db2.gz DWNNOKNKDLSVFL-UHFFFAOYSA-N 0 0 369.559 4.647 10 0 FJAERN Cc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000036246309 571245866 /nfs/dbraw/zinc/24/58/66/571245866.db2.gz LQXHDLLEDBDRTE-UHFFFAOYSA-N 0 0 373.424 4.669 10 0 FJAERN C[C@H]1CN(C(=O)CCC(=O)Nc2ccc(Cl)cc2)c2ccccc2S1 ZINC000006857558 571250687 /nfs/dbraw/zinc/25/06/87/571250687.db2.gz UVMCUPBUBJJXBK-ZDUSSCGKSA-N 0 0 374.893 4.586 10 0 FJAERN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc(Cl)c3)oc21 ZINC000226270686 571276216 /nfs/dbraw/zinc/27/62/16/571276216.db2.gz YAPFXAFOFQPEBQ-UHFFFAOYSA-N 0 0 354.715 4.957 10 0 FJAERN CCc1ccc(-c2nc3ccc(N(CC)C(=O)C(F)(F)F)cc3o2)cc1 ZINC000226283998 571276280 /nfs/dbraw/zinc/27/62/80/571276280.db2.gz YULQYUUCLGERDT-UHFFFAOYSA-N 0 0 362.351 4.972 10 0 FJAERN CN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000226281198 571276288 /nfs/dbraw/zinc/27/62/88/571276288.db2.gz YXDMVSJFSJIEQD-UHFFFAOYSA-N 0 0 354.715 4.673 10 0 FJAERN