smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1cccc(/C=C\c2ccccn2)c1)c1ccccc1Cl ZINC000096401276 210238381 /nfs/dbraw/zinc/23/83/81/210238381.db2.gz WCSOIODVHOUETA-QXMHVHEDSA-N 0 1 370.861 4.706 50 0 FJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1nc2ccccc2s1 ZINC000045068040 210047431 /nfs/dbraw/zinc/04/74/31/210047431.db2.gz GYUPIOHMTCRMER-UHFFFAOYSA-N 0 1 374.878 4.557 50 0 FJAAMN O=C(c1ccc(Br)cc1)c1cccc(CN2CCCCC2)c1 ZINC000002515006 204042485 /nfs/dbraw/zinc/04/24/85/204042485.db2.gz BXYLMJAWAQKOFN-UHFFFAOYSA-N 0 1 358.279 4.666 50 0 FJAAMN Cc1ccc(-c2cc3[nH]c(=S)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC000003885781 204112440 /nfs/dbraw/zinc/11/24/40/204112440.db2.gz OFLMHAZXXUAFGS-UHFFFAOYSA-N 0 1 364.495 4.770 50 0 FJAAMN Cc1ccccc1CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000003533763 204105920 /nfs/dbraw/zinc/10/59/20/204105920.db2.gz KZGKSCQCSPDVRF-UHFFFAOYSA-N 0 1 360.280 4.835 50 0 FJAAMN Cn1c(CN2CCCCC2)nc2cc(NCc3ccc(Cl)cc3)ccc21 ZINC000004624611 204151112 /nfs/dbraw/zinc/15/11/12/204151112.db2.gz AZMNNWDZOZPJMS-UHFFFAOYSA-N 0 1 368.912 4.825 50 0 FJAAMN Cc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2C)cc1 ZINC000004678564 204154694 /nfs/dbraw/zinc/15/46/94/204154694.db2.gz BMFQSPPPHBLPSP-UHFFFAOYSA-N 0 1 356.267 4.770 50 0 FJAAMN COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1cccs1 ZINC000004413548 204138491 /nfs/dbraw/zinc/13/84/91/204138491.db2.gz UEGSAZIUMUIBNU-UHFFFAOYSA-N 0 1 374.893 4.674 50 0 FJAAMN CC(C)N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000006214445 204240640 /nfs/dbraw/zinc/24/06/40/204240640.db2.gz WKSVTVGECZVDTR-UHFFFAOYSA-N 0 1 359.882 4.750 50 0 FJAAMN O=c1cc(OCc2ccccc2F)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000006454347 204247887 /nfs/dbraw/zinc/24/78/87/204247887.db2.gz SDOAQNBDHOSUSJ-UHFFFAOYSA-N 0 1 362.356 4.884 50 0 FJAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3F)cc(O)c12 ZINC000006454347 204247892 /nfs/dbraw/zinc/24/78/92/204247892.db2.gz SDOAQNBDHOSUSJ-UHFFFAOYSA-N 0 1 362.356 4.884 50 0 FJAAMN CCN(C(=O)[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000006654325 204258579 /nfs/dbraw/zinc/25/85/79/204258579.db2.gz MJGSTTVFXDLBOC-LBPRGKRZSA-N 0 1 359.882 4.750 50 0 FJAAMN COc1ccc(-c2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2C)cc1 ZINC000006967457 204285061 /nfs/dbraw/zinc/28/50/61/204285061.db2.gz PUOAIZAJEOFEEG-UHFFFAOYSA-N 0 1 374.849 4.738 50 0 FJAAMN O=S(=O)(Nc1cccc2ccccc21)c1ccccc1C(F)(F)F ZINC000007053570 204287898 /nfs/dbraw/zinc/28/78/98/204287898.db2.gz NSMZTJPXLBMZHB-UHFFFAOYSA-N 0 1 351.349 4.659 50 0 FJAAMN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1[nH]nc2ccccc21 ZINC000007989072 204314019 /nfs/dbraw/zinc/31/40/19/204314019.db2.gz OESZDXNNDOHJCK-UHFFFAOYSA-N 0 1 365.820 4.749 50 0 FJAAMN Cc1cc(C)c(C(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1C ZINC000008230773 204322834 /nfs/dbraw/zinc/32/28/34/204322834.db2.gz RXIITCMZLDCRAO-CYBMUJFWSA-N 0 1 357.504 4.822 50 0 FJAAMN Cc1cccc(-c2nn(-c3ccccc3)cc2CNCc2cccnc2)c1 ZINC000009221446 204357888 /nfs/dbraw/zinc/35/78/88/204357888.db2.gz VBEAXOMEIMZVMS-UHFFFAOYSA-N 0 1 354.457 4.533 50 0 FJAAMN CCc1n[nH]c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 ZINC000011712743 204412254 /nfs/dbraw/zinc/41/22/54/204412254.db2.gz JBPDSFIRBCROQB-IBGZPJMESA-N 0 1 362.458 4.565 50 0 FJAAMN CCc1nc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n[nH]1 ZINC000011712743 204412257 /nfs/dbraw/zinc/41/22/57/204412257.db2.gz JBPDSFIRBCROQB-IBGZPJMESA-N 0 1 362.458 4.565 50 0 FJAAMN CC(=O)c1ccccc1OCCSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000009946771 204387022 /nfs/dbraw/zinc/38/70/22/204387022.db2.gz RTWLCYQGGJHCJM-UHFFFAOYSA-N 0 1 366.486 4.683 50 0 FJAAMN CSc1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000010157937 204392150 /nfs/dbraw/zinc/39/21/50/204392150.db2.gz VGFYUMRZYXHDHP-UHFFFAOYSA-N 0 1 363.895 4.669 50 0 FJAAMN Cc1ccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 ZINC000012715867 220021807 /nfs/dbraw/zinc/02/18/07/220021807.db2.gz JZCNMBCKWYHGRH-IBGZPJMESA-N 0 1 353.441 4.716 50 0 FJAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012886791 220038676 /nfs/dbraw/zinc/03/86/76/220038676.db2.gz RNMKXYGHAAAPRZ-JOCHJYFZSA-N 0 1 366.505 4.868 50 0 FJAAMN Cc1cc(Br)ccc1NC(=O)[C@@H](c1ccccc1)N1CCCC1 ZINC000058379553 212007258 /nfs/dbraw/zinc/00/72/58/212007258.db2.gz NROVVFPHWLRLOB-GOSISDBHSA-N 0 1 373.294 4.533 50 0 FJAAMN COc1ccc(-n2ncc([C@@H](C)NCc3ccc(SC)cc3)c2C)cc1 ZINC000015068469 204600185 /nfs/dbraw/zinc/60/01/85/204600185.db2.gz VSGKVWWOJDQQHQ-OAHLLOKOSA-N 0 1 367.518 4.762 50 0 FJAAMN O=C(c1cc(-c2cccs2)[nH]n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000057413404 205238526 /nfs/dbraw/zinc/23/85/26/205238526.db2.gz ZRESICQHNKTMFK-UHFFFAOYSA-N 0 1 373.481 4.981 50 0 FJAAMN O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000057398981 205239062 /nfs/dbraw/zinc/23/90/62/205239062.db2.gz KJMFZPIBOFHPNZ-QGZVFWFLSA-N 0 1 362.395 4.713 50 0 FJAAMN Cc1cccc(NC(=O)[C@H](C)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000057508892 205241298 /nfs/dbraw/zinc/24/12/98/205241298.db2.gz MCSDSTUYZNWAHN-OXJNMPFZSA-N 0 1 350.487 4.763 50 0 FJAAMN Cc1ccc2c(CN(C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1C ZINC000057509344 205241514 /nfs/dbraw/zinc/24/15/14/205241514.db2.gz NVYGKUCPKRLAKE-UHFFFAOYSA-N 0 1 373.399 4.643 50 0 FJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1cccc(Cl)c1 ZINC000017310546 220212936 /nfs/dbraw/zinc/21/29/36/220212936.db2.gz DDDWPJAIFWYIFJ-UHFFFAOYSA-N 0 1 353.897 4.800 50 0 FJAAMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(Cl)cc2F)[nH]1 ZINC000119674799 206105783 /nfs/dbraw/zinc/10/57/83/206105783.db2.gz RDXODWKPDICGKV-UHFFFAOYSA-N 0 1 358.804 4.640 50 0 FJAAMN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN(C)Cc1ccccc1 ZINC000008572578 206217269 /nfs/dbraw/zinc/21/72/69/206217269.db2.gz ASOQAEKADZPACQ-UHFFFAOYSA-N 0 1 364.489 4.916 50 0 FJAAMN C[C@H](NCc1c[nH]nc1-c1cccs1)c1ccccc1Br ZINC000012531658 206291958 /nfs/dbraw/zinc/29/19/58/206291958.db2.gz LDYUMPFAAROPIT-NSHDSACASA-N 0 1 362.296 4.752 50 0 FJAAMN O=C(NCc1cccs1)c1ccc2c(c1)n[nH]c2-c1cccc(Cl)c1 ZINC000019772449 206326618 /nfs/dbraw/zinc/32/66/18/206326618.db2.gz MVZQOGDOZSLGMR-UHFFFAOYSA-N 0 1 367.861 4.875 50 0 FJAAMN COc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC ZINC000022783260 206392209 /nfs/dbraw/zinc/39/22/09/206392209.db2.gz YMPWZVGFYMYOBC-LLVKDONJSA-N 0 1 370.276 4.870 50 0 FJAAMN CCc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)[nH]1 ZINC000022284498 211347049 /nfs/dbraw/zinc/34/70/49/211347049.db2.gz ACAQDBBJRZYTRR-UHFFFAOYSA-N 0 1 361.474 4.512 50 0 FJAAMN CCc1n[nH]c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)n1 ZINC000022284498 211347053 /nfs/dbraw/zinc/34/70/53/211347053.db2.gz ACAQDBBJRZYTRR-UHFFFAOYSA-N 0 1 361.474 4.512 50 0 FJAAMN FC(F)(F)c1ccccc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000022130518 211340465 /nfs/dbraw/zinc/34/04/65/211340465.db2.gz RDOROCRTFHATLH-UHFFFAOYSA-N 0 1 373.422 4.505 50 0 FJAAMN COc1ccccc1CNCc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000017310949 211184407 /nfs/dbraw/zinc/18/44/07/211184407.db2.gz HDDWFTQWFIOWIH-UHFFFAOYSA-N 0 1 360.457 4.546 50 0 FJAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000014186855 211082959 /nfs/dbraw/zinc/08/29/59/211082959.db2.gz WKXDAUUIIGLXBQ-AWEZNQCLSA-N 0 1 355.432 4.677 50 0 FJAAMN COc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000014142417 211078898 /nfs/dbraw/zinc/07/88/98/211078898.db2.gz OQXWAGHQLXOFKA-KRWDZBQOSA-N 0 1 360.457 4.652 50 0 FJAAMN Fc1ccc(-c2ccc(CNCc3ccccc3Cn3cccn3)o2)cc1 ZINC000012871763 211001821 /nfs/dbraw/zinc/00/18/21/211001821.db2.gz WFGTWFRAHICHSW-UHFFFAOYSA-N 0 1 361.420 4.620 50 0 FJAAMN Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000002314344 210390567 /nfs/dbraw/zinc/39/05/67/210390567.db2.gz DWTCRRWIBXGZAC-UHFFFAOYSA-N 0 1 360.501 4.922 50 0 FJAAMN COc1cccc(Nc2nc(-c3cccc(OC)c3O)nc3ccccc32)c1 ZINC000002247664 210386133 /nfs/dbraw/zinc/38/61/33/210386133.db2.gz MENSGWDATASWEV-UHFFFAOYSA-N 0 1 373.412 4.763 50 0 FJAAMN COc1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)cc1 ZINC000002393572 210394980 /nfs/dbraw/zinc/39/49/80/210394980.db2.gz FBJWOUCRCJPMFZ-UHFFFAOYSA-N 0 1 374.396 4.812 50 0 FJAAMN O=S(=O)(Nc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000001142705 210324641 /nfs/dbraw/zinc/32/46/41/210324641.db2.gz SDHLBVQQNWPWPR-UHFFFAOYSA-N 0 1 352.242 4.947 50 0 FJAAMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000001111831 210317522 /nfs/dbraw/zinc/31/75/22/210317522.db2.gz BTZDXKMMGPBSHQ-UHFFFAOYSA-N 0 1 353.871 4.581 50 0 FJAAMN COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000022783248 220398089 /nfs/dbraw/zinc/39/80/89/220398089.db2.gz XMXOLDLDVSFFKE-LLVKDONJSA-N 0 1 370.276 4.870 50 0 FJAAMN COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000022783242 220398551 /nfs/dbraw/zinc/39/85/51/220398551.db2.gz XMXOLDLDVSFFKE-NSHDSACASA-N 0 1 370.276 4.870 50 0 FJAAMN Fc1ccccc1Oc1ccc(CNCc2cccc3c2OCO3)cc1F ZINC000065932717 221237925 /nfs/dbraw/zinc/23/79/25/221237925.db2.gz CCEYHOQXARNIKO-UHFFFAOYSA-N 0 1 369.367 4.776 50 0 FJAAMN Cc1cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)ccc2o1 ZINC000072432798 221525065 /nfs/dbraw/zinc/52/50/65/221525065.db2.gz PEIZXURAWLSWLM-GOSISDBHSA-N 0 1 363.392 4.734 50 0 FJAAMN CC(=O)c1ccc(N2CCN(CCC3=C(C)CCCC3(C)C)CC2)cc1 ZINC000000756634 132378369 /nfs/dbraw/zinc/37/83/69/132378369.db2.gz DPFOTDPFHHAALV-UHFFFAOYSA-N 0 1 354.538 4.928 50 0 FJAAMN CCn1c(-c2cc(NC(=O)c3ccc(C)cc3)[nH]n2)cc2cc(OC)ccc21 ZINC000096398584 222119004 /nfs/dbraw/zinc/11/90/04/222119004.db2.gz SMYYUWWXNULPJU-UHFFFAOYSA-N 0 1 374.444 4.621 50 0 FJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)N(O)c1ccccc1 ZINC000100915444 222256141 /nfs/dbraw/zinc/25/61/41/222256141.db2.gz YAMYXDXWQAYIBN-FGZHOGPDSA-N 0 1 371.440 4.662 50 0 FJAAMN CCSc1nc2n(n1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102579271 222300382 /nfs/dbraw/zinc/30/03/82/222300382.db2.gz QFYRTWGHSWGXDZ-CQSZACIVSA-N 0 1 360.508 4.759 50 0 FJAAMN O=C(CSC(=S)NNc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000001031423 263142135 /nfs/dbraw/zinc/14/21/35/263142135.db2.gz WMKGUAVDGARWMI-UHFFFAOYSA-N 0 1 371.314 4.811 50 0 FJAAMN COc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000252498913 518158330 /nfs/dbraw/zinc/15/83/30/518158330.db2.gz RQCRTUAQXGWDSC-UHFFFAOYSA-N 0 1 369.442 4.597 50 0 FJAAMN CCCOc1c(Cl)cc(CNCc2ccc3c(c2)OCO3)cc1Cl ZINC000020926389 520297605 /nfs/dbraw/zinc/29/76/05/520297605.db2.gz LYRZIXNLVAODBC-UHFFFAOYSA-N 0 1 368.260 4.801 50 0 FJAAMN CCCC(C(=O)OCC)=C(C)NN(Cc1ccccc1)c1ccccc1 ZINC000020064345 521658042 /nfs/dbraw/zinc/65/80/42/521658042.db2.gz SGXGTCMEXCHLRN-UZYVYHOESA-N 0 1 352.478 4.835 50 0 FJAAMN C[C@H]1CN(CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000020168446 524593218 /nfs/dbraw/zinc/59/32/18/524593218.db2.gz PKOPFZIVQYDYGY-PMACEKPBSA-N 0 1 367.533 4.891 50 0 FJAAMN C[C@@H]1CN(CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000020168442 524952246 /nfs/dbraw/zinc/95/22/46/524952246.db2.gz PKOPFZIVQYDYGY-WOJBJXKFSA-N 0 1 367.533 4.891 50 0 FJAAMN CC(C)[C@@H]1COCC[N@H+]1CCCc1ccc(COc2ccccc2)cc1 ZINC000095101107 570451257 /nfs/dbraw/zinc/45/12/57/570451257.db2.gz DMEITRWKYQAHAB-QHCPKHFHSA-N 0 1 353.506 4.555 50 0 FJAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc4cccc(C)c4n3C)[nH]c2c1 ZINC000095353611 570452350 /nfs/dbraw/zinc/45/23/50/570452350.db2.gz PGDDOYBNXSNTRG-LJQANCHMSA-N 0 1 372.472 4.649 50 0 FJAAMN O=C(CCCN1CC=C(Oc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000095918156 570471653 /nfs/dbraw/zinc/47/16/53/570471653.db2.gz ANVINHYHCRGZJM-UHFFFAOYSA-N 0 1 357.400 4.596 50 0 FJAAMN CCN1CCN(Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000034669446 570526985 /nfs/dbraw/zinc/52/69/85/570526985.db2.gz VAYSTIWDKZUNPG-UHFFFAOYSA-N 0 1 357.501 4.553 50 0 FJAAMN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682613 570531692 /nfs/dbraw/zinc/53/16/92/570531692.db2.gz KQBMKYAIUMMZKO-UHFFFAOYSA-N 0 1 374.887 4.887 50 0 FJAAMN CCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1OC ZINC000034794674 570557770 /nfs/dbraw/zinc/55/77/70/570557770.db2.gz GSDWGSUQCPDVCW-UHFFFAOYSA-N 0 1 355.825 4.553 50 0 FJAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034796285 570558826 /nfs/dbraw/zinc/55/88/26/570558826.db2.gz PSKPCVQBIIPTCA-UHFFFAOYSA-N 0 1 367.836 4.868 50 0 FJAAMN COc1ccccc1C(=O)Nc1c(-c2ccccc2)n[nH]c1-c1ccco1 ZINC000034796905 570559125 /nfs/dbraw/zinc/55/91/25/570559125.db2.gz NETNBYRGUGBRIH-UHFFFAOYSA-N 0 1 359.385 4.598 50 0 FJAAMN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1ccc(F)cc1F ZINC000034796910 570559260 /nfs/dbraw/zinc/55/92/60/570559260.db2.gz BYDFICFCUNYKRJ-UHFFFAOYSA-N 0 1 365.339 4.867 50 0 FJAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2ccc(F)cc2)c1 ZINC000034796732 570559319 /nfs/dbraw/zinc/55/93/19/570559319.db2.gz ARSWRHWMGUQQLU-UHFFFAOYSA-N 0 1 366.396 4.746 50 0 FJAAMN COc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)oc1ccccc12 ZINC000003661948 570567217 /nfs/dbraw/zinc/56/72/17/570567217.db2.gz QADDIITVKZLKJF-UHFFFAOYSA-N 0 1 371.389 4.535 50 0 FJAAMN CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)c1 ZINC000011917277 570601889 /nfs/dbraw/zinc/60/18/89/570601889.db2.gz OGUASRAWFKJTDS-FQEVSTJZSA-N 0 1 374.912 4.552 50 0 FJAAMN COc1ccccc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000004817299 570608408 /nfs/dbraw/zinc/60/84/08/570608408.db2.gz FLIKVGYOJWGWQE-UHFFFAOYSA-N 0 1 370.496 4.589 50 0 FJAAMN Cc1ccc(-n2c(=O)c(-c3ccccc3)c(O)c3c2CC(C)(C)CC3=O)cc1 ZINC000005443029 570627346 /nfs/dbraw/zinc/62/73/46/570627346.db2.gz OCMXXPWWONWPRN-UHFFFAOYSA-N 0 1 373.452 4.674 50 0 FJAAMN CC[C@H](C)C(=O)OC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822754 570634511 /nfs/dbraw/zinc/63/45/11/570634511.db2.gz GJJKYTBLENQIRA-JLJPHGGASA-N 0 1 357.416 4.678 50 0 FJAAMN CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000005976790 570639697 /nfs/dbraw/zinc/63/96/97/570639697.db2.gz ITCIZCQORMXLRS-UHFFFAOYSA-N 0 1 368.296 4.547 50 0 FJAAMN Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccncc1 ZINC000008435793 570681911 /nfs/dbraw/zinc/68/19/11/570681911.db2.gz UDCCKUAIHSJVQK-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN CC[C@H](C)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)ns2)on1 ZINC000155321382 570699622 /nfs/dbraw/zinc/69/96/22/570699622.db2.gz RYQJJYFWMZPQCY-VIFPVBQESA-N 0 1 362.842 4.612 50 0 FJAAMN Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]1 ZINC000011819559 570708213 /nfs/dbraw/zinc/70/82/13/570708213.db2.gz RNNMMDIQEOMFIR-FQEVSTJZSA-N 0 1 367.880 4.552 50 0 FJAAMN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000012197981 570726758 /nfs/dbraw/zinc/72/67/58/570726758.db2.gz UOERYGBEQSEUMT-HSZRJFAPSA-N 0 1 356.469 4.844 50 0 FJAAMN O=C(Nc1cccc(F)c1)[C@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000012204608 570727596 /nfs/dbraw/zinc/72/75/96/570727596.db2.gz UWDDWBDYPHTKBD-LJQANCHMSA-N 0 1 372.871 4.720 50 0 FJAAMN CC[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012242380 570731033 /nfs/dbraw/zinc/73/10/33/570731033.db2.gz SEEAGKFBAOHZCY-SJLPKXTDSA-N 0 1 361.489 4.982 50 0 FJAAMN Cc1oc(-c2ccco2)nc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000012299592 570733322 /nfs/dbraw/zinc/73/33/22/570733322.db2.gz VCGFOEXCZWOBJY-GOSISDBHSA-N 0 1 351.450 4.625 50 0 FJAAMN O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000012303719 570734535 /nfs/dbraw/zinc/73/45/35/570734535.db2.gz OWWATPBUIZLSBP-OAHLLOKOSA-N 0 1 353.409 4.862 50 0 FJAAMN CCn1ncc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c1C ZINC000012441910 570746148 /nfs/dbraw/zinc/74/61/48/570746148.db2.gz URKWGAOENROFBU-IBGZPJMESA-N 0 1 367.537 4.604 50 0 FJAAMN C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccc2ccccc2c1 ZINC000014201384 570812713 /nfs/dbraw/zinc/81/27/13/570812713.db2.gz LFLNELPFZXJASF-GOSISDBHSA-N 0 1 350.506 4.667 50 0 FJAAMN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(n[nH]c2Nc2ccccc2)N1 ZINC000015085157 570833081 /nfs/dbraw/zinc/83/30/81/570833081.db2.gz GBFXCWVBNBJQTN-CQSZACIVSA-N 0 1 372.350 4.646 50 0 FJAAMN O=C1CCCN1c1ccc(CNCc2ccc(-c3ccccc3F)o2)cc1 ZINC000015581162 570840691 /nfs/dbraw/zinc/84/06/91/570840691.db2.gz CKWIFPFOZGTZDG-UHFFFAOYSA-N 0 1 364.420 4.502 50 0 FJAAMN C[C@H](c1ccccc1)N(C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016047208 570849893 /nfs/dbraw/zinc/84/98/93/570849893.db2.gz IMUIKBFKTPHJPU-GOSISDBHSA-N 0 1 352.478 4.759 50 0 FJAAMN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccs2)n[nH]1 ZINC000051315667 570864219 /nfs/dbraw/zinc/86/42/19/570864219.db2.gz UTUATHKKWSFZFN-UHFFFAOYSA-N 0 1 373.437 4.622 50 0 FJAAMN COc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019358986 570887556 /nfs/dbraw/zinc/88/75/56/570887556.db2.gz ZACALRGLMFHCPU-UHFFFAOYSA-N 0 1 372.512 4.602 50 0 FJAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(C)C1CCOCC1 ZINC000020137289 570910934 /nfs/dbraw/zinc/91/09/34/570910934.db2.gz PRBYUGGDXNFWQN-UHFFFAOYSA-N 0 1 362.473 4.928 50 0 FJAAMN CC(=O)Nc1ccc(CNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000048341524 570948380 /nfs/dbraw/zinc/94/83/80/570948380.db2.gz HLOZPDWBBOTQTH-UHFFFAOYSA-N 0 1 354.837 4.848 50 0 FJAAMN COc1ccc2nc(SCc3nc(-c4ccccc4)oc3C)[nH]c2c1 ZINC000012239801 570968876 /nfs/dbraw/zinc/96/88/76/570968876.db2.gz ZVVQMXOKLWKEEE-UHFFFAOYSA-N 0 1 351.431 4.827 50 0 FJAAMN COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000024715984 570980601 /nfs/dbraw/zinc/98/06/01/570980601.db2.gz ZANBINYQLPJHJL-LIRRHRJNSA-N 0 1 358.869 4.513 50 0 FJAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025087640 570990971 /nfs/dbraw/zinc/99/09/71/570990971.db2.gz LXRUONNQMGZAGH-MRXNPFEDSA-N 0 1 365.864 4.577 50 0 FJAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1 ZINC000027582720 571014672 /nfs/dbraw/zinc/01/46/72/571014672.db2.gz QOUMJVCAQYQYOW-FQEVSTJZSA-N 0 1 356.897 4.687 50 0 FJAAMN O=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccc(F)cc1Cl ZINC000028260366 571028745 /nfs/dbraw/zinc/02/87/45/571028745.db2.gz XWDFQLHMYHNMGP-UHFFFAOYSA-N 0 1 369.845 4.601 50 0 FJAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000028287619 571029191 /nfs/dbraw/zinc/02/91/91/571029191.db2.gz YUIWAOKYULNQRJ-KRWDZBQOSA-N 0 1 368.502 4.678 50 0 FJAAMN CN(CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCc2ccccc21 ZINC000029487174 571040728 /nfs/dbraw/zinc/04/07/28/571040728.db2.gz CNOBJZSBJAASGU-INIZCTEOSA-N 0 1 362.445 4.559 50 0 FJAAMN COc1ccc2c(c1OC)CC[C@@H]2Nc1ccc(Cl)c(CN(C)C)c1 ZINC000225604866 571048903 /nfs/dbraw/zinc/04/89/03/571048903.db2.gz JWYJXSIKQGYAOW-SFHVURJKSA-N 0 1 360.885 4.518 50 0 FJAAMN CCCOc1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1 ZINC000008572501 571050629 /nfs/dbraw/zinc/05/06/29/571050629.db2.gz MFVJVIOWAHNICS-UHFFFAOYSA-N 0 1 350.462 4.670 50 0 FJAAMN COc1cc(OC)c(OC)cc1CN1CCCCC[C@H]1c1cccc(F)c1 ZINC000033087179 571062003 /nfs/dbraw/zinc/06/20/03/571062003.db2.gz YCWDIDQYOBYSBD-IBGZPJMESA-N 0 1 373.468 4.969 50 0 FJAAMN CC[C@@H](Nc1ncnc2scc(-c3ccc(C)cc3)c21)c1n[nH]c(C)n1 ZINC000072310999 571071021 /nfs/dbraw/zinc/07/10/21/571071021.db2.gz PCVIZWPIVKODMK-OAHLLOKOSA-N 0 1 364.478 4.656 50 0 FJAAMN COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3cccc(C)c3)ccc2c1 ZINC000012751251 571076082 /nfs/dbraw/zinc/07/60/82/571076082.db2.gz GDQWSDRVTJWXKN-KRWDZBQOSA-N 0 1 362.473 4.616 50 0 FJAAMN CC(C)c1nc2ccc(NC(=O)c3ccccc3Br)cc2[nH]1 ZINC000040282942 571092989 /nfs/dbraw/zinc/09/29/89/571092989.db2.gz YYQOOLMKOCGGFU-UHFFFAOYSA-N 0 1 358.239 4.701 50 0 FJAAMN CC(C)Oc1ccc(Br)cc1CNCc1ccc(F)cc1 ZINC000040730188 571093894 /nfs/dbraw/zinc/09/38/94/571093894.db2.gz OSJBKVLCKJAVTN-UHFFFAOYSA-N 0 1 352.247 4.665 50 0 FJAAMN Fc1cccc(Cl)c1COc1cccc(CNCc2ccccn2)c1 ZINC000040738756 571095317 /nfs/dbraw/zinc/09/53/17/571095317.db2.gz QCEOKHYQBMVBHI-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN CCOC(=O)CCCCCCC(=O)c1cccc(CN2CCCCC2)c1 ZINC000043211117 571099709 /nfs/dbraw/zinc/09/97/09/571099709.db2.gz DVWNYXBFGIEPOF-UHFFFAOYSA-N 0 1 359.510 4.759 50 0 FJAAMN Cc1[nH]c(SCC(=O)Nc2cccc(C)c2C)nc1Cc1ccccc1 ZINC000009190182 571100578 /nfs/dbraw/zinc/10/05/78/571100578.db2.gz VQYSKAVOOQZEAD-UHFFFAOYSA-N 0 1 365.502 4.657 50 0 FJAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccnc2)c(C)c1 ZINC000009220982 571101480 /nfs/dbraw/zinc/10/14/80/571101480.db2.gz HSPSXSJCNFWIGA-UHFFFAOYSA-N 0 1 368.484 4.841 50 0 FJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009219600 571101502 /nfs/dbraw/zinc/10/15/02/571101502.db2.gz IXYTXZGLRNKFNO-GOSISDBHSA-N 0 1 374.469 4.664 50 0 FJAAMN CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)cc1 ZINC000044935792 571105198 /nfs/dbraw/zinc/10/51/98/571105198.db2.gz QTLBTQNDHRDJAT-QFIPXVFZSA-N 0 1 368.496 4.614 50 0 FJAAMN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000044934151 571105365 /nfs/dbraw/zinc/10/53/65/571105365.db2.gz FULQOPCNDBFNLU-HNNXBMFYSA-N 0 1 374.887 4.569 50 0 FJAAMN CC1CCN([C@@H](CNC(=O)c2cc3ccccc3o2)c2cccs2)CC1 ZINC000033028228 571110156 /nfs/dbraw/zinc/11/01/56/571110156.db2.gz VGTYQRRLOORCDS-KRWDZBQOSA-N 0 1 368.502 4.697 50 0 FJAAMN Cc1nc2ccc(NC(=O)N(Cc3ccsc3)C3CCCC3)cc2[nH]1 ZINC000244787664 571116511 /nfs/dbraw/zinc/11/65/11/571116511.db2.gz QBDWBPCUPJQEIS-UHFFFAOYSA-N 0 1 354.479 4.910 50 0 FJAAMN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(Cl)c1 ZINC000010139754 571123131 /nfs/dbraw/zinc/12/31/31/571123131.db2.gz WOWOHNMORJZUIA-UHFFFAOYSA-N 0 1 367.880 4.639 50 0 FJAAMN Cc1cccc(C)c1NC(=O)CN1CCC(CCc2ccccc2)CC1 ZINC000011154933 571124794 /nfs/dbraw/zinc/12/47/94/571124794.db2.gz NZDLLKFGOKXOII-UHFFFAOYSA-N 0 1 350.506 4.587 50 0 FJAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OC(C)C)cc3)c2c1 ZINC000000952830 571140326 /nfs/dbraw/zinc/14/03/26/571140326.db2.gz AYOPPHTYJGWPJR-UHFFFAOYSA-N 0 1 364.445 4.673 50 0 FJAAMN CCN(Cc1ccncc1)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004676802 571158035 /nfs/dbraw/zinc/15/80/35/571158035.db2.gz BHKGRPIKNDPHRT-UHFFFAOYSA-N 0 1 362.473 4.691 50 0 FJAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(F)cc1 ZINC000004678313 571158443 /nfs/dbraw/zinc/15/84/43/571158443.db2.gz IGPYJDOMALMEED-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN CC(=O)c1c(C)cc(C)c(-c2nccn2[C@H](C)Cc2cc(C)n[nH]2)c1C ZINC000072457942 571197556 /nfs/dbraw/zinc/19/75/56/571197556.db2.gz URNJHOINSRGOSC-OAHLLOKOSA-N 0 1 350.466 4.513 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)Cc2cccs2)[nH]n1 ZINC000075558771 571200636 /nfs/dbraw/zinc/20/06/36/571200636.db2.gz PLUHJLDJYCGEOG-UHFFFAOYSA-N 0 1 364.474 4.602 50 0 FJAAMN Cc1cc(O)c(-c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)cc1C ZINC000072427507 571202011 /nfs/dbraw/zinc/20/20/11/571202011.db2.gz ZMNCOPCSTQCGCA-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN COc1cccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)no2)c1 ZINC000075448658 571203244 /nfs/dbraw/zinc/20/32/44/571203244.db2.gz SCTVSFLZPJVFMB-LJQANCHMSA-N 0 1 366.465 4.534 50 0 FJAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)C3=Cc4ccccc4OC=C3)[nH]c2c1 ZINC000077340421 571208111 /nfs/dbraw/zinc/20/81/11/571208111.db2.gz IFWUSDCHRKTMFQ-HXUWFJFHSA-N 0 1 371.440 4.525 50 0 FJAAMN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(CC)cc3)[nH]c2c1 ZINC000006567003 571209798 /nfs/dbraw/zinc/20/97/98/571209798.db2.gz FHFSUJRVJVXBSK-CYBMUJFWSA-N 0 1 369.490 4.643 50 0 FJAAMN CCc1nc2ccc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000033290545 571230455 /nfs/dbraw/zinc/23/04/55/571230455.db2.gz QKPXQFGGZMYTRY-UHFFFAOYSA-N 0 1 361.367 4.715 50 0 FJAAMN CN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@H](c1ccccn1)C1CC1 ZINC000091254850 571238509 /nfs/dbraw/zinc/23/85/09/571238509.db2.gz LXVMZOMXCUBTBF-FQEVSTJZSA-N 0 1 353.853 4.572 50 0 FJAAMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1cccn1C ZINC000007039374 571258043 /nfs/dbraw/zinc/25/80/43/571258043.db2.gz RNQJFOKUSFRFHP-WZONZLPQSA-N 0 1 373.500 4.856 50 0 FJAAMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(CC)cc3)[nH]c2c1 ZINC000007141507 571262495 /nfs/dbraw/zinc/26/24/95/571262495.db2.gz FHFSUJRVJVXBSK-ZDUSSCGKSA-N 0 1 369.490 4.643 50 0 FJAAMN Cc1ccc2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)cn2c1 ZINC000007488220 571266084 /nfs/dbraw/zinc/26/60/84/571266084.db2.gz GVZJBTLIRXJQQF-MRXNPFEDSA-N 0 1 362.502 4.632 50 0 FJAAMN C[C@@H](c1ccccc1)N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000170623433 571269167 /nfs/dbraw/zinc/26/91/67/571269167.db2.gz RVMBQMFUNIBPPN-WHEQGISXSA-N 0 1 356.318 4.794 50 0 FJAAMN C[C@H](OC(=O)CCn1ccc2ccccc21)c1nc2ccc(Cl)cc2[nH]1 ZINC000170625405 571269316 /nfs/dbraw/zinc/26/93/16/571269316.db2.gz DJYUUBOVKKCCJX-ZDUSSCGKSA-N 0 1 367.836 4.866 50 0 FJAAMN O[C@H](CN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000252512255 571281837 /nfs/dbraw/zinc/28/18/37/571281837.db2.gz OMXZPAKUEDUQIB-TZIWHRDSSA-N 0 1 371.452 4.707 50 0 FJAAMN CCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037580728 571288315 /nfs/dbraw/zinc/28/83/15/571288315.db2.gz VTVAHWNKAGMTMW-UHFFFAOYSA-N 0 1 368.496 4.796 50 0 FJAAMN C[C@@H](c1ccccn1)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000095456009 571330002 /nfs/dbraw/zinc/33/00/02/571330002.db2.gz NXFLSYVFVRKBOW-SFHVURJKSA-N 0 1 369.468 4.687 50 0 FJAAMN O=C(c1ccc(Br)cc1)[C@H](Cc1ccccc1)N1CCCCC1 ZINC000002655113 571340198 /nfs/dbraw/zinc/34/01/98/571340198.db2.gz JIWYMIYHPRPHAB-IBGZPJMESA-N 0 1 372.306 4.729 50 0 FJAAMN O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412172 571343213 /nfs/dbraw/zinc/34/32/13/571343213.db2.gz VVTORZPVKCRXNW-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN Cc1ccc(NC(=O)[C@H](C)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000057470804 571343546 /nfs/dbraw/zinc/34/35/46/571343546.db2.gz DTCOOPGRQHHQRT-JXFKEZNVSA-N 0 1 350.487 4.763 50 0 FJAAMN Cc1ccc2nc(SCc3nc4ccccn4c3Br)[nH]c2c1 ZINC000004150388 571356173 /nfs/dbraw/zinc/35/61/73/571356173.db2.gz HJVKRZCKBSSQQK-UHFFFAOYSA-N 0 1 373.279 4.574 50 0 FJAAMN CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126651 571359176 /nfs/dbraw/zinc/35/91/76/571359176.db2.gz ONTRIUKBHNWJAM-GOSISDBHSA-N 0 1 363.288 4.941 50 0 FJAAMN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1 ZINC000000717913 210265925 /nfs/dbraw/zinc/26/59/25/210265925.db2.gz KJWBNXFFAJFKBF-UHFFFAOYSA-N 0 1 360.262 4.501 50 0 FJAAMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C ZINC000002886564 204066140 /nfs/dbraw/zinc/06/61/40/204066140.db2.gz VHHLOVKDCBJKDY-UHFFFAOYSA-N 0 1 369.442 4.597 50 0 FJAAMN COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1 ZINC000004622056 204150192 /nfs/dbraw/zinc/15/01/92/204150192.db2.gz LRSFFDRYGFKPIL-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN Fc1ccccc1CN1CCC(Nc2ccc(Br)cc2)CC1 ZINC000004749424 204161927 /nfs/dbraw/zinc/16/19/27/204161927.db2.gz MNVWCKIFIDHMOJ-UHFFFAOYSA-N 0 1 363.274 4.665 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)C)cc2)N3)C1 ZINC000004556418 204146769 /nfs/dbraw/zinc/14/67/69/204146769.db2.gz CWQPYXVLBNMCBP-SFHVURJKSA-N 0 1 355.507 4.678 50 0 FJAAMN Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)c(O)c1 ZINC000005343675 204204345 /nfs/dbraw/zinc/20/43/45/204204345.db2.gz QQXMTGIQBNWIAF-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN COc1cc(CNCc2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000004942820 204178929 /nfs/dbraw/zinc/17/89/29/204178929.db2.gz RDWCXQVYOUKBOI-UHFFFAOYSA-N 0 1 357.837 4.810 50 0 FJAAMN Cc1ccc(-c2n[nH]c(SCc3coc(-c4cccs4)n3)n2)cc1 ZINC000005866602 204228652 /nfs/dbraw/zinc/22/86/52/204228652.db2.gz DBXLEQZAHLWDLY-UHFFFAOYSA-N 0 1 354.460 4.789 50 0 FJAAMN Cc1cc(Br)ccc1-c1ccc(CNCc2cccnc2)o1 ZINC000006715836 204261924 /nfs/dbraw/zinc/26/19/24/204261924.db2.gz WRZDXLFQXKWNEJ-UHFFFAOYSA-N 0 1 357.251 4.702 50 0 FJAAMN Cc1ccc(-c2cnc(NCc3cc(Br)ccc3F)n2C)cc1 ZINC000006721487 204263411 /nfs/dbraw/zinc/26/34/11/204263411.db2.gz UNKDWAKERIFMQM-UHFFFAOYSA-N 0 1 374.257 4.909 50 0 FJAAMN CCN(CC)C(=O)[C@H](Sc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000007676216 204303238 /nfs/dbraw/zinc/30/32/38/204303238.db2.gz PSCIGXDYGSWTAQ-GOSISDBHSA-N 0 1 353.491 4.573 50 0 FJAAMN CCOc1ccc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 ZINC000008128446 204318870 /nfs/dbraw/zinc/31/88/70/204318870.db2.gz CBMUXBXYNXVKRV-JTQLQIEISA-N 0 1 372.475 4.926 50 0 FJAAMN Cc1ccc2nc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)[nH]c2c1 ZINC000008686411 204338550 /nfs/dbraw/zinc/33/85/50/204338550.db2.gz UUGOZJOHEGMUGL-WMLDXEAASA-N 0 1 365.502 4.546 50 0 aggregator FJAAMN Cc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)[nH]n2)c1O ZINC000008973113 204350625 /nfs/dbraw/zinc/35/06/25/204350625.db2.gz SSCVCYSCKWAFAS-UHFFFAOYSA-N 0 1 362.216 4.650 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000009514208 204372571 /nfs/dbraw/zinc/37/25/71/204372571.db2.gz QHNFFFPRJNQLQM-OAHLLOKOSA-N 0 1 366.490 4.516 50 0 FJAAMN COc1ccc(-n2ncc([C@H](C)NCc3cccc(SC)c3)c2C)cc1 ZINC000011842738 204417664 /nfs/dbraw/zinc/41/76/64/204417664.db2.gz PGKGNPCOSAZLMJ-HNNXBMFYSA-N 0 1 367.518 4.762 50 0 FJAAMN CC[C@@H](C)N(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@H](C)CC ZINC000019316466 204675857 /nfs/dbraw/zinc/67/58/57/204675857.db2.gz ZKAPOWNFQZVGRH-HZPDHXFCSA-N 0 1 373.566 4.827 50 0 FJAAMN CC(C)N(Cc1ccccc1Cl)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036102031 205004964 /nfs/dbraw/zinc/00/49/64/205004964.db2.gz RJBQOBDLUGMNRM-QGZVFWFLSA-N 0 1 368.304 4.644 50 0 FJAAMN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000037560749 205028189 /nfs/dbraw/zinc/02/81/89/205028189.db2.gz LNYPTCHZDVHQQL-UHFFFAOYSA-N 0 1 372.459 4.618 50 0 FJAAMN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037560751 205028800 /nfs/dbraw/zinc/02/88/00/205028800.db2.gz BHRQIFJCFQEQAE-UHFFFAOYSA-N 0 1 372.459 4.618 50 0 FJAAMN CCc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000040478290 205072021 /nfs/dbraw/zinc/07/20/21/205072021.db2.gz RUYLJBDFFJCMCX-UHFFFAOYSA-N 0 1 370.250 4.654 50 0 FJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1F ZINC000044837479 205111901 /nfs/dbraw/zinc/11/19/01/205111901.db2.gz HUEFCMITYVSPSF-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN CCOC(=O)CCCCCCC(=O)c1ccccc1CN1CCCCC1 ZINC000043211552 205103169 /nfs/dbraw/zinc/10/31/69/205103169.db2.gz SBXMTKVGZWOAND-UHFFFAOYSA-N 0 1 359.510 4.759 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3Cl)[nH]n2)cc1 ZINC000051315474 205180913 /nfs/dbraw/zinc/18/09/13/205180913.db2.gz MMEQJYBPDLGOJK-UHFFFAOYSA-N 0 1 359.788 4.520 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)cc1 ZINC000051315498 205181108 /nfs/dbraw/zinc/18/11/08/205181108.db2.gz VVRGPOHVPQGGQV-UHFFFAOYSA-N 0 1 355.825 4.690 50 0 FJAAMN COc1cc(CNCc2cccnc2Oc2ccccc2C)ccc1F ZINC000055099666 205207120 /nfs/dbraw/zinc/20/71/20/205207120.db2.gz DGRMRWWNOKLDLG-UHFFFAOYSA-N 0 1 352.409 4.620 50 0 FJAAMN O=C(Nc1cc(F)ccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412618 205237993 /nfs/dbraw/zinc/23/79/93/205237993.db2.gz DGQKTETUHLHABG-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1Cl ZINC000057412375 205238242 /nfs/dbraw/zinc/23/82/42/205238242.db2.gz GCTFZSPLIROCIM-UHFFFAOYSA-N 0 1 362.216 4.644 50 0 FJAAMN CCCCN1Cc2cccc(NC(=O)N(C)CCCc3ccccc3)c2C1 ZINC000058325880 205271558 /nfs/dbraw/zinc/27/15/58/205271558.db2.gz GBTVFOQJXINEMS-UHFFFAOYSA-N 0 1 365.521 4.899 50 0 FJAAMN CCc1ccc(C(=O)CSc2nc(C=Cc3cccs3)n[nH]2)s1 ZINC000014334911 220121618 /nfs/dbraw/zinc/12/16/18/220121618.db2.gz VFPRYHKZFNXEBO-SOFGYWHQSA-N 0 1 361.517 4.636 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1C[C@@H]1OCCc2ccccc21 ZINC000067769516 205388738 /nfs/dbraw/zinc/38/87/38/205388738.db2.gz OZZAKRZLIDMAQH-FQEVSTJZSA-N 0 1 370.456 4.563 50 0 FJAAMN CCCCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000002645199 206155385 /nfs/dbraw/zinc/15/53/85/206155385.db2.gz SBYANGWDUSQZEB-UHFFFAOYSA-N 0 1 357.397 4.849 50 0 FJAAMN CCc1ccc(-c2n[nH]c(SCCCC(=O)c3ccc(F)cc3)n2)cc1 ZINC000005180277 206190397 /nfs/dbraw/zinc/19/03/97/206190397.db2.gz UUERTWBZAGNVTO-UHFFFAOYSA-N 0 1 369.465 4.928 50 0 FJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000005210046 206192010 /nfs/dbraw/zinc/19/20/10/206192010.db2.gz PWQHQBIELYQXPX-ZDUSSCGKSA-N 0 1 362.458 4.625 50 0 FJAAMN CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000008036494 206215102 /nfs/dbraw/zinc/21/51/02/206215102.db2.gz SNEQVOUZAUUSLD-UHFFFAOYSA-N 0 1 350.487 4.632 50 0 FJAAMN CSc1ccccc1NC(=O)CN(C)Cc1cccc2ccccc21 ZINC000008036494 206215106 /nfs/dbraw/zinc/21/51/06/206215106.db2.gz SNEQVOUZAUUSLD-UHFFFAOYSA-N 0 1 350.487 4.632 50 0 FJAAMN Cc1ccc(-c2nc(C(=O)Nc3cc4cn[nH]c4cc3C)cs2)c(C)c1 ZINC000170611489 206274857 /nfs/dbraw/zinc/27/48/57/206274857.db2.gz NSKJPBARIZWUPE-UHFFFAOYSA-N 0 1 362.458 4.864 50 0 FJAAMN Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1C ZINC000016101060 206318787 /nfs/dbraw/zinc/31/87/87/206318787.db2.gz GSHHYXSYGDLDEB-UHFFFAOYSA-N 0 1 363.788 4.776 50 0 FJAAMN CC(C)[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529535 206385575 /nfs/dbraw/zinc/38/55/75/206385575.db2.gz LKOPIZBVRYUGLP-UXHICEINSA-N 0 1 356.897 4.647 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccc(F)c3F)C2)cc1 ZINC000020205272 211274021 /nfs/dbraw/zinc/27/40/21/211274021.db2.gz IOMXYWZPNVIDCH-INIZCTEOSA-N 0 1 371.406 4.874 50 0 FJAAMN CCCCCCOc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019634945 211242120 /nfs/dbraw/zinc/24/21/20/211242120.db2.gz SHGDXYQJQIQFQD-UHFFFAOYSA-N 0 1 366.549 4.964 50 0 FJAAMN COc1ccc2cc(CN(C)C(=O)c3cc(-c4ccccc4)[nH]n3)ccc2c1 ZINC000016502403 211163472 /nfs/dbraw/zinc/16/34/72/211163472.db2.gz KLYIPBDEIRSBNY-UHFFFAOYSA-N 0 1 371.440 4.511 50 0 FJAAMN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000014209162 211086236 /nfs/dbraw/zinc/08/62/36/211086236.db2.gz GHMPYXCMJKQBBX-UHFFFAOYSA-N 0 1 362.216 4.644 50 0 FJAAMN COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3C)ccc2c1 ZINC000012992654 211017646 /nfs/dbraw/zinc/01/76/46/211017646.db2.gz OMWCBVVMQGPNTL-KRWDZBQOSA-N 0 1 362.473 4.616 50 0 FJAAMN C[C@@H](NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992689 211017180 /nfs/dbraw/zinc/01/71/80/211017180.db2.gz YETOIUREXXRDSP-SJORKVTESA-N 0 1 364.464 4.677 50 0 FJAAMN Cc1cccc(C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[nH]2)c1C ZINC000012994377 211016569 /nfs/dbraw/zinc/01/65/69/211016569.db2.gz BXTXGZWPMUHSAI-UHFFFAOYSA-N 0 1 372.881 4.620 50 0 FJAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012987346 211015126 /nfs/dbraw/zinc/01/51/26/211015126.db2.gz NIYSMEOVXITJQH-OAQYLSRUSA-N 0 1 366.505 4.868 50 0 FJAAMN Cc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000012872318 211002664 /nfs/dbraw/zinc/00/26/64/211002664.db2.gz BPAOQYLTOUXPAL-IBGZPJMESA-N 0 1 357.885 4.607 50 0 FJAAMN Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001230577 210338015 /nfs/dbraw/zinc/33/80/15/210338015.db2.gz JQALEWWCAVYQEW-UHFFFAOYSA-N 0 1 350.654 4.756 50 0 FJAAMN Cc1cc(C)c2c(NC(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]c2n1 ZINC000001089553 210315965 /nfs/dbraw/zinc/31/59/65/210315965.db2.gz IMNKRSBDOJSAQM-UHFFFAOYSA-N 0 1 350.209 4.526 50 0 FJAAMN CSc1n[nH]c(NC(=O)c2ccc(C(C)(C)C)cc2)c1-c1ccccn1 ZINC000001041359 210306846 /nfs/dbraw/zinc/30/68/46/210306846.db2.gz BPCSCUISWQBHCU-UHFFFAOYSA-N 0 1 366.490 4.743 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1CCCc1ccccc1O ZINC000067867068 221296536 /nfs/dbraw/zinc/29/65/36/221296536.db2.gz NODPNKNONCDKPQ-UHFFFAOYSA-N 0 1 358.445 4.587 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1Cc1cnc2ccccc2c1 ZINC000067871351 221298867 /nfs/dbraw/zinc/29/88/67/221298867.db2.gz QNYBDUQLSNIRIT-UHFFFAOYSA-N 0 1 365.440 4.845 50 0 FJAAMN C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)c1ccc(Cl)cc1 ZINC000097015430 222150457 /nfs/dbraw/zinc/15/04/57/222150457.db2.gz DOHUOAZQYMWXGJ-OTAKNEKHSA-N 0 1 369.877 4.992 50 0 FJAAMN CCN(C(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000089969508 520038821 /nfs/dbraw/zinc/03/88/21/520038821.db2.gz JULUHDCHCDJRIQ-SFHVURJKSA-N 0 1 373.500 4.699 50 0 FJAAMN CCC[C@@H](C)c1[nH]nc2c1CN(Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724738 520675999 /nfs/dbraw/zinc/67/59/99/520675999.db2.gz MZUGPDVKLYDSDC-DNVCBOLYSA-N 0 1 357.498 4.706 50 0 FJAAMN CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1 ZINC000000597434 521696732 /nfs/dbraw/zinc/69/67/32/521696732.db2.gz XVGOZDAJGBALKS-UHFFFAOYSA-N 0 1 367.512 4.689 50 0 world FJAAMN Cc1ccc(-c2cc(C(=O)N(Cc3sccc3C)C3CC3)n[nH]2)s1 ZINC000091411881 525718025 /nfs/dbraw/zinc/71/80/25/525718025.db2.gz NWYNCRLIZXRGAM-UHFFFAOYSA-N 0 1 357.504 4.621 50 0 FJAAMN O=C(c1cc(-c2ccccc2F)[nH]n1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000091391095 526593439 /nfs/dbraw/zinc/59/34/39/526593439.db2.gz HZMXMFSSAMENKU-UHFFFAOYSA-N 0 1 374.419 4.502 50 0 FJAAMN Cc1oc2cc(OCCN3CCCCC3)ccc2c(=O)c1-c1ccccc1 ZINC000006764483 568044638 /nfs/dbraw/zinc/04/46/38/568044638.db2.gz WLYWDNGEULSBAS-UHFFFAOYSA-N 0 1 363.457 4.633 50 0 FJAAMN CC(C)(C)SC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000390829299 568280201 /nfs/dbraw/zinc/28/02/01/568280201.db2.gz DJJHJAYKAOYTFE-MRXNPFEDSA-N 0 1 357.523 4.603 50 0 FJAAMN CC(C)(C)SC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000390829298 568280204 /nfs/dbraw/zinc/28/02/04/568280204.db2.gz DJJHJAYKAOYTFE-INIZCTEOSA-N 0 1 357.523 4.603 50 0 FJAAMN CCOC(=O)C(=C(C)NN(Cc1ccccc1)c1ccccc1)C(C)C ZINC000012346543 568286767 /nfs/dbraw/zinc/28/67/67/568286767.db2.gz JAZLHHOTRRVPCS-UZYVYHOESA-N 0 1 352.478 4.691 50 0 FJAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)c(Cl)c1Cl ZINC000001127393 570482092 /nfs/dbraw/zinc/48/20/92/570482092.db2.gz BRGORKPWDUZFSF-UHFFFAOYSA-N 0 1 374.289 4.926 50 0 FJAAMN CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000011613723 570483393 /nfs/dbraw/zinc/48/33/93/570483393.db2.gz XYVBPRVACUKRSD-UHFFFAOYSA-N 0 1 374.289 4.810 50 0 FJAAMN O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000001159060 570485703 /nfs/dbraw/zinc/48/57/03/570485703.db2.gz WFVOAKIQOLEPRV-UHFFFAOYSA-N 0 1 369.286 4.525 50 0 FJAAMN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1cccc2cccnc21 ZINC000002840922 570535679 /nfs/dbraw/zinc/53/56/79/570535679.db2.gz USABHGCWAHHONW-UHFFFAOYSA-N 0 1 360.438 4.703 50 0 FJAAMN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023332642 570536883 /nfs/dbraw/zinc/53/68/83/570536883.db2.gz KVLCYVFMKSGMFN-UHFFFAOYSA-N 0 1 371.415 4.813 50 0 FJAAMN O=C(NCCc1cccs1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023332717 570537638 /nfs/dbraw/zinc/53/76/38/570537638.db2.gz ABQOAIKFFBHKJL-UHFFFAOYSA-N 0 1 373.481 4.778 50 0 FJAAMN CCCc1n[nH]c(CCc2ccc(OC)cc2)c1NC(=O)C1CCCCC1 ZINC000034795222 570558386 /nfs/dbraw/zinc/55/83/86/570558386.db2.gz ZERURIHQDSSXEJ-UHFFFAOYSA-N 0 1 369.509 4.675 50 0 FJAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034795128 570558401 /nfs/dbraw/zinc/55/84/01/570558401.db2.gz PDHDRTQLKUFLAT-UHFFFAOYSA-N 0 1 359.351 4.699 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000034795024 570558406 /nfs/dbraw/zinc/55/84/06/570558406.db2.gz GTPCBXXWYAUHMF-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN CCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)c1cccc(Cl)c1 ZINC000034796119 570558745 /nfs/dbraw/zinc/55/87/45/570558745.db2.gz ZVFXGMQEPHLOBT-UHFFFAOYSA-N 0 1 355.825 4.553 50 0 FJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1 ZINC000005017612 570575411 /nfs/dbraw/zinc/57/54/11/570575411.db2.gz BATNOXOVLRQUJW-NSHDSACASA-N 0 1 368.487 4.686 50 0 FJAAMN COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1 ZINC000004413536 570590188 /nfs/dbraw/zinc/59/01/88/570590188.db2.gz MMVNGNGRPJXNCF-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN COc1cc(-c2nc3ccccc3s2)cc2c1OCCN(CC(C)C)C2 ZINC000012001560 570603979 /nfs/dbraw/zinc/60/39/79/570603979.db2.gz RJTUPWARCSPHQG-UHFFFAOYSA-N 0 1 368.502 4.822 50 0 FJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccccc1)N(O)c1ccccc1 ZINC000005306467 570646469 /nfs/dbraw/zinc/64/64/69/570646469.db2.gz YAMYXDXWQAYIBN-FCHUYYIVSA-N 0 1 371.440 4.662 50 0 FJAAMN O=c1c2c(-c3ccc(F)cc3)csc2[nH]c(=S)n1Cc1ccccc1 ZINC000006537749 570648907 /nfs/dbraw/zinc/64/89/07/570648907.db2.gz GIBMOLJCTBTRSX-UHFFFAOYSA-N 0 1 368.458 4.975 50 0 FJAAMN COc1cc(CNCc2ccco2)ccc1OCc1ccccc1Cl ZINC000007523591 570665292 /nfs/dbraw/zinc/66/52/92/570665292.db2.gz QAQBAEYAESZNHQ-UHFFFAOYSA-N 0 1 357.837 4.810 50 0 FJAAMN CCOc1c(CN[C@@H](C)c2ccccc2)cc(Br)cc1OC ZINC000010473876 570701328 /nfs/dbraw/zinc/70/13/28/570701328.db2.gz HUEQFQABOOYJNP-ZDUSSCGKSA-N 0 1 364.283 4.707 50 0 FJAAMN COc1ccc(-n2ncc([C@H](C)NCc3ccc(Cl)s3)c2C)cc1 ZINC000011818313 570708378 /nfs/dbraw/zinc/70/83/78/570708378.db2.gz BIVFAUWOAWZPEA-LBPRGKRZSA-N 0 1 361.898 4.755 50 0 FJAAMN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000011822098 570708834 /nfs/dbraw/zinc/70/88/34/570708834.db2.gz UQUDEUNKROZSIO-FQEVSTJZSA-N 0 1 372.468 4.969 50 0 FJAAMN CC(=O)c1cccc(CN[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000011879803 570710867 /nfs/dbraw/zinc/71/08/67/570710867.db2.gz SUQWRZDCSHBFGR-HSZRJFAPSA-N 0 1 373.500 4.859 50 0 FJAAMN Cc1ccc(-c2nc(CN3CCCC[C@H]3CCn3cccn3)c(C)o2)s1 ZINC000012030420 570714647 /nfs/dbraw/zinc/71/46/47/570714647.db2.gz PLJUETWQQISXPN-KRWDZBQOSA-N 0 1 370.522 4.661 50 0 FJAAMN COCc1ccc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000012373741 570740054 /nfs/dbraw/zinc/74/00/54/570740054.db2.gz DLROLLGNAWCZEA-GOSISDBHSA-N 0 1 369.505 4.818 50 0 FJAAMN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)cc1 ZINC000012447888 570746675 /nfs/dbraw/zinc/74/66/75/570746675.db2.gz BMRORUHUCQOEFF-NRFANRHFSA-N 0 1 360.505 4.732 50 0 FJAAMN CCOc1ccccc1CN[C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012457953 570747630 /nfs/dbraw/zinc/74/76/30/570747630.db2.gz LHOJMTGIJDZYIT-HNNXBMFYSA-N 0 1 353.441 4.569 50 0 FJAAMN CCOc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012575455 570751440 /nfs/dbraw/zinc/75/14/40/570751440.db2.gz VRCVATNTWXYAJU-HNNXBMFYSA-N 0 1 353.441 4.569 50 0 FJAAMN CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012812626 570764316 /nfs/dbraw/zinc/76/43/16/570764316.db2.gz ZBTGKYKDWWHYQJ-HNNXBMFYSA-N 0 1 365.926 4.588 50 0 FJAAMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000032688930 570772191 /nfs/dbraw/zinc/77/21/91/570772191.db2.gz UPGLZRXJWSFDQT-OAHLLOKOSA-N 0 1 369.317 4.622 50 0 FJAAMN CN(C)[C@H](CNC(=O)c1sccc1-c1ccccc1)c1cccc(F)c1 ZINC000032729660 570785238 /nfs/dbraw/zinc/78/52/38/570785238.db2.gz SVZLADIVKNZKAZ-LJQANCHMSA-N 0 1 368.477 4.587 50 0 FJAAMN FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1 ZINC000032815308 570815629 /nfs/dbraw/zinc/81/56/29/570815629.db2.gz MXQSZNNUUSERRI-UHFFFAOYSA-N 0 1 356.307 4.813 50 0 FJAAMN CCc1ccc(-c2n[nH]c(SCc3ccc(-n4cccn4)cc3)n2)cc1 ZINC000014677677 570821688 /nfs/dbraw/zinc/82/16/88/570821688.db2.gz PZPCAXGLKGMLCS-UHFFFAOYSA-N 0 1 361.474 4.512 50 0 FJAAMN COC[C@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000014971869 570827409 /nfs/dbraw/zinc/82/74/09/570827409.db2.gz SQDLJSKLJASTPU-MRXNPFEDSA-N 0 1 368.399 4.670 50 0 FJAAMN CSc1ccc(CNCc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000015581996 570840657 /nfs/dbraw/zinc/84/06/57/570840657.db2.gz PBRPPEQMBRFTOU-UHFFFAOYSA-N 0 1 351.519 4.560 50 0 FJAAMN CCC[C@H](C)c1[nH]nc2c1CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000019608370 570896277 /nfs/dbraw/zinc/89/62/77/570896277.db2.gz MZUGPDVKLYDSDC-KXBFYZLASA-N 0 1 357.498 4.706 50 0 FJAAMN CCc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837264 570900243 /nfs/dbraw/zinc/90/02/43/570900243.db2.gz MHOKNNMZUZTLLQ-UHFFFAOYSA-N 0 1 370.250 4.654 50 0 FJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c(C)c1 ZINC000044837285 570900365 /nfs/dbraw/zinc/90/03/65/570900365.db2.gz BXVPGUKJCUTIJA-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019796018 570903222 /nfs/dbraw/zinc/90/32/22/570903222.db2.gz WIKYUJGCLQQFNW-UHFFFAOYSA-N 0 1 373.953 4.580 50 0 fda FJAAMN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccc(O)c(Cl)c1 ZINC000024248098 570973464 /nfs/dbraw/zinc/97/34/64/570973464.db2.gz ZSDQORMWBIUUDF-CYBMUJFWSA-N 0 1 354.258 4.666 50 0 FJAAMN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(O)c(Cl)c1 ZINC000025618187 570998056 /nfs/dbraw/zinc/99/80/56/570998056.db2.gz MXFMUBWKIKAMBT-KRWDZBQOSA-N 0 1 361.825 4.766 50 0 FJAAMN C[C@@H](c1ccc(OC(F)(F)F)cc1)n1c(=O)c2ccccc2[nH]c1=S ZINC000027223459 571011217 /nfs/dbraw/zinc/01/12/17/571011217.db2.gz BMQZEUIFRAIKIG-JTQLQIEISA-N 0 1 366.364 4.567 50 0 FJAAMN Cc1cc([C@@H]2CCCN(C(=O)c3cccc(N[C@@H](C)C(C)C)c3C)C2)n[nH]1 ZINC000225430550 571034482 /nfs/dbraw/zinc/03/44/82/571034482.db2.gz OCOINZAAQCFAOV-ZWKOTPCHSA-N 0 1 368.525 4.503 50 0 FJAAMN Cc1ccc2nc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)[nH]c2c1 ZINC000008392949 571044554 /nfs/dbraw/zinc/04/45/54/571044554.db2.gz XWHOPSSGTIBBFR-IBGZPJMESA-N 0 1 365.502 4.717 50 0 FJAAMN Cc1ccc2nc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)[nH]c2c1 ZINC000008392952 571044623 /nfs/dbraw/zinc/04/46/23/571044623.db2.gz XWHOPSSGTIBBFR-LJQANCHMSA-N 0 1 365.502 4.717 50 0 FJAAMN CC(C)CCN[C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000039143244 571060205 /nfs/dbraw/zinc/06/02/05/571060205.db2.gz AYVXWNDWJXSNJK-XMSQKQJNSA-N 0 1 350.506 4.798 50 0 FJAAMN COc1ccc(-c2nnc(CN(Cc3ccccc3)[C@H](C)C3CC3)o2)cc1 ZINC000040120225 571080566 /nfs/dbraw/zinc/08/05/66/571080566.db2.gz ZDVZAHGOPDFEDQ-MRXNPFEDSA-N 0 1 363.461 4.546 50 0 FJAAMN CC(C)(C)c1noc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000084325143 571082041 /nfs/dbraw/zinc/08/20/41/571082041.db2.gz FQRZGUGGDVNESN-UHFFFAOYSA-N 0 1 356.373 4.555 50 0 FJAAMN FC(F)(F)c1cccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)c1 ZINC000009002132 571090830 /nfs/dbraw/zinc/09/08/30/571090830.db2.gz BKEZIPWCGCATRJ-UHFFFAOYSA-N 0 1 362.336 4.874 50 0 FJAAMN Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1ccc2ccccc2n1 ZINC000245264967 571096050 /nfs/dbraw/zinc/09/60/50/571096050.db2.gz FEPXKWYTJUCNSS-UHFFFAOYSA-N 0 1 361.836 4.828 50 0 FJAAMN C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934144 571105156 /nfs/dbraw/zinc/10/51/56/571105156.db2.gz JJFXLXMOQRMJPS-OAHLLOKOSA-N 0 1 374.887 4.569 50 0 FJAAMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000009728452 571118215 /nfs/dbraw/zinc/11/82/15/571118215.db2.gz HNTHDBRMUMMZFI-UHFFFAOYSA-N 0 1 361.445 4.560 50 0 FJAAMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(-c2ccccc2)no1 ZINC000071078073 571119301 /nfs/dbraw/zinc/11/93/01/571119301.db2.gz MGXBJUZWEKBHJC-NSHDSACASA-N 0 1 367.409 4.514 50 0 FJAAMN CCCN(Cc1ccc(SC)cc1)Cc1cnc(-c2ccccn2)nc1 ZINC000055393744 571120236 /nfs/dbraw/zinc/12/02/36/571120236.db2.gz YHNLYSKKJVHBRY-UHFFFAOYSA-N 0 1 364.518 4.673 50 0 FJAAMN CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862288 571138599 /nfs/dbraw/zinc/13/85/99/571138599.db2.gz YWBWMTXZQXLQHI-UHFFFAOYSA-N 0 1 354.881 4.902 50 0 FJAAMN Cc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1 ZINC000015863863 571139182 /nfs/dbraw/zinc/13/91/82/571139182.db2.gz NOUIFOJZKIVLKF-UHFFFAOYSA-N 0 1 355.441 4.909 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1Cc1cc(-c2ccco2)on1 ZINC000067886532 571151221 /nfs/dbraw/zinc/15/12/21/571151221.db2.gz GPGUTQRLHVQFAV-UHFFFAOYSA-N 0 1 371.400 4.545 50 0 FJAAMN O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)N1CCCC1 ZINC000004673433 571157205 /nfs/dbraw/zinc/15/72/05/571157205.db2.gz RKHIVZHOQCRVEA-XMMPIXPASA-N 0 1 370.496 4.729 50 0 FJAAMN COc1cc(CN[C@H](C)c2cccnc2)ccc1OCc1ccc(F)cc1 ZINC000012543700 571177885 /nfs/dbraw/zinc/17/78/85/571177885.db2.gz MLNUKKUIIRLGGH-MRXNPFEDSA-N 0 1 366.436 4.659 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)Cc2ccc(C)cc2)[nH]n1 ZINC000075558753 571200686 /nfs/dbraw/zinc/20/06/86/571200686.db2.gz DITCAGQOPNGPDL-UHFFFAOYSA-N 0 1 372.472 4.849 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)CCc2ccccc2)[nH]n1 ZINC000075558763 571200692 /nfs/dbraw/zinc/20/06/92/571200692.db2.gz RTPJRUHTNQBMOQ-UHFFFAOYSA-N 0 1 372.472 4.931 50 0 FJAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000075448597 571203195 /nfs/dbraw/zinc/20/31/95/571203195.db2.gz ZPZSLWRUMSUWCW-LJQANCHMSA-N 0 1 366.465 4.534 50 0 FJAAMN Cc1ccc(NC(=O)CSCc2nc3ccc(Cl)cc3[nH]2)cc1C ZINC000006566997 571209807 /nfs/dbraw/zinc/20/98/07/571209807.db2.gz IGMCIHURZBJBFG-UHFFFAOYSA-N 0 1 359.882 4.705 50 0 FJAAMN Fc1ccccc1-c1n[nH]c(SCCOc2ccc3ccccc3c2)n1 ZINC000043808389 571235266 /nfs/dbraw/zinc/23/52/66/571235266.db2.gz ZNKRNBWMCAGHNB-UHFFFAOYSA-N 0 1 365.433 4.935 50 0 FJAAMN C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1nc(C(C)(C)C)cs1 ZINC000095422094 571329482 /nfs/dbraw/zinc/32/94/82/571329482.db2.gz PTHJUCNHWFUTHB-BQFCYCMXSA-N 0 1 357.567 4.927 50 0 FJAAMN CCCCC[C@](O)(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020440597 571329497 /nfs/dbraw/zinc/32/94/97/571329497.db2.gz KABHBZDXXJZWEM-ZEQRLZLVSA-N 0 1 367.533 4.571 50 0 FJAAMN CC(C)[C@@H](NCc1ccc(Cl)cc1Br)c1ccncc1 ZINC000095971805 571333241 /nfs/dbraw/zinc/33/32/41/571333241.db2.gz KFIOAVAOSBSMFM-MRXNPFEDSA-N 0 1 353.691 4.984 50 0 FJAAMN Clc1cccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 ZINC000096024370 571334021 /nfs/dbraw/zinc/33/40/21/571334021.db2.gz KURRDCFFDCKGGE-UHFFFAOYSA-N 0 1 359.882 4.831 50 0 FJAAMN CCCSc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1 ZINC000096026741 571334080 /nfs/dbraw/zinc/33/40/80/571334080.db2.gz CNSQEJKRNADLNI-UHFFFAOYSA-N 0 1 370.562 4.562 50 0 FJAAMN COc1cccc(C(=O)Nc2ccccc2-c2nc3ccc(C)cc3[nH]2)c1 ZINC000021362521 571334265 /nfs/dbraw/zinc/33/42/65/571334265.db2.gz OQYXZNFOOCIGOS-UHFFFAOYSA-N 0 1 357.413 4.799 50 0 FJAAMN O=C(Nc1cc(F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412103 571343185 /nfs/dbraw/zinc/34/31/85/571343185.db2.gz BAQQKVMTYKAAFK-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN CC(C)N(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057413186 571343301 /nfs/dbraw/zinc/34/33/01/571343301.db2.gz ZPOALDJFXULXPR-UHFFFAOYSA-N 0 1 353.853 4.781 50 0 FJAAMN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000057508890 571343926 /nfs/dbraw/zinc/34/39/26/571343926.db2.gz MCSDSTUYZNWAHN-OXQOHEQNSA-N 0 1 350.487 4.763 50 0 FJAAMN COc1ccc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000004252222 571357292 /nfs/dbraw/zinc/35/72/92/571357292.db2.gz MWQPYYQVSPJKDR-UHFFFAOYSA-N 0 1 372.837 4.567 50 0 FJAAMN CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126476 571359145 /nfs/dbraw/zinc/35/91/45/571359145.db2.gz QIWHYQZOGCWXNY-GOSISDBHSA-N 0 1 363.288 4.941 50 0 FJAAMN CCN(CC)c1ccc2cc(-c3nc4ccc(Cl)cc4[nH]3)c(=O)oc2c1 ZINC000001506495 204010346 /nfs/dbraw/zinc/01/03/46/204010346.db2.gz WWOWVRJYEORQEZ-UHFFFAOYSA-N 0 1 367.836 4.836 50 0 FJAAMN COc1ccc(CNCc2ccccc2OCc2ccc(F)cc2)cc1 ZINC000004870053 204171888 /nfs/dbraw/zinc/17/18/88/204171888.db2.gz JKNFRRKJPONVJV-UHFFFAOYSA-N 0 1 351.421 4.703 50 0 FJAAMN Cc1ccc(-c2n[nH]c(SCCCC(=O)c3ccc(F)cc3)n2)cc1 ZINC000005868162 204228384 /nfs/dbraw/zinc/22/83/84/204228384.db2.gz IJQOGRYJTAXWJZ-UHFFFAOYSA-N 0 1 355.438 4.674 50 0 FJAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CC=C(c2ccccc2)CC1 ZINC000006942292 204283668 /nfs/dbraw/zinc/28/36/68/204283668.db2.gz UQKYVFQOYOOBMR-UHFFFAOYSA-N 0 1 363.848 4.660 50 0 FJAAMN O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccccc1Cl ZINC000007057545 204288669 /nfs/dbraw/zinc/28/86/69/204288669.db2.gz LRHRSFDYLLUFKN-UHFFFAOYSA-N 0 1 357.862 4.732 50 0 FJAAMN COc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1 ZINC000007343569 204295349 /nfs/dbraw/zinc/29/53/49/204295349.db2.gz NXEZWRYYNVLYEL-UHFFFAOYSA-N 0 1 371.440 4.728 50 0 FJAAMN CCOc1cc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)cc1Cl ZINC000008132494 204319581 /nfs/dbraw/zinc/31/95/81/204319581.db2.gz TTZOQNXFHBJBIH-UHFFFAOYSA-N 0 1 374.289 4.810 50 0 FJAAMN COc1cccc(CNCc2ccccc2)c1OCc1ccccc1F ZINC000008495694 204332547 /nfs/dbraw/zinc/33/25/47/204332547.db2.gz GRCIPSMFCWNLJO-UHFFFAOYSA-N 0 1 351.421 4.703 50 0 FJAAMN COc1ccc(-n2ncc([C@@H](C)NCc3ccc(Cl)c(F)c3)c2C)cc1 ZINC000012710383 220019199 /nfs/dbraw/zinc/01/91/99/220019199.db2.gz VJYFVQUSOZCRPV-CYBMUJFWSA-N 0 1 373.859 4.833 50 0 FJAAMN Cc1ccc(-c2csc3[nH]c(CN(C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036203810 205007361 /nfs/dbraw/zinc/00/73/61/205007361.db2.gz OJXDASDPZMQGDL-UHFFFAOYSA-N 0 1 367.518 4.725 50 0 FJAAMN Cc1nc2ccccn2c1-c1nnc(Nc2ccc(Cl)cc2Cl)o1 ZINC000036646028 205020208 /nfs/dbraw/zinc/02/02/08/205020208.db2.gz KBLZYBIJMZUJPW-UHFFFAOYSA-N 0 1 360.204 4.743 50 0 FJAAMN CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 ZINC000039143243 205044944 /nfs/dbraw/zinc/04/49/44/205044944.db2.gz AYVXWNDWJXSNJK-GCJKJVERSA-N 0 1 350.506 4.798 50 0 FJAAMN COc1cccc(CNCc2cccnc2)c1OCc1cccc(Cl)c1 ZINC000040722563 205078753 /nfs/dbraw/zinc/07/87/53/205078753.db2.gz QDHZWHNIHPBCJL-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCOc1ccccc1NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838008 205112135 /nfs/dbraw/zinc/11/21/35/205112135.db2.gz LDTBRNYBTVRIRC-UHFFFAOYSA-N 0 1 357.413 4.881 50 0 FJAAMN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000044933463 205116140 /nfs/dbraw/zinc/11/61/40/205116140.db2.gz LSWIXJYMKAWWST-KRWDZBQOSA-N 0 1 370.924 4.738 50 0 FJAAMN CC(C)n1c(CN2CCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000046007487 205128801 /nfs/dbraw/zinc/12/88/01/205128801.db2.gz YPLYVKJMLMJLTG-UHFFFAOYSA-N 0 1 368.506 4.527 50 0 FJAAMN CC(C)CC[N@@H+](C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000053363952 205193061 /nfs/dbraw/zinc/19/30/61/205193061.db2.gz WROOIEQLECAYLC-UHFFFAOYSA-N 0 1 359.470 4.681 50 0 FJAAMN C[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1 ZINC000057322913 205236336 /nfs/dbraw/zinc/23/63/36/205236336.db2.gz WVFGTSUWCWKEHA-MRXNPFEDSA-N 0 1 364.420 4.907 50 0 FJAAMN COc1ccccc1[C@H](C)NCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000014250689 220120529 /nfs/dbraw/zinc/12/05/29/220120529.db2.gz JZIILRGFTADVDO-KRWDZBQOSA-N 0 1 360.457 4.798 50 0 FJAAMN Cc1nc(CN2CC[C@H](c3ccnc(-c4cccc5cccnc54)c3)C2)co1 ZINC000065526325 205357659 /nfs/dbraw/zinc/35/76/59/205357659.db2.gz MJFNTSZUSYCONV-IBGZPJMESA-N 0 1 370.456 4.583 50 0 FJAAMN Fc1ccccc1Oc1ccc(CNCc2ccc3c(c2)OCO3)cc1F ZINC000065888357 205360749 /nfs/dbraw/zinc/36/07/49/205360749.db2.gz VBJBVMJLZWAZDN-UHFFFAOYSA-N 0 1 369.367 4.776 50 0 FJAAMN CCCc1nc(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n[nH]1 ZINC000048356581 206084850 /nfs/dbraw/zinc/08/48/50/206084850.db2.gz LIMBWOZJGLNFDG-CQSZACIVSA-N 0 1 366.490 4.863 50 0 FJAAMN CCCc1n[nH]c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000048356581 206084855 /nfs/dbraw/zinc/08/48/55/206084855.db2.gz LIMBWOZJGLNFDG-CQSZACIVSA-N 0 1 366.490 4.863 50 0 FJAAMN Cc1cc(NC2CCN(Cc3ccccn3)CC2)cc(C)c1Br ZINC000170612402 206275001 /nfs/dbraw/zinc/27/50/01/206275001.db2.gz NIVJQCNFZPAMHZ-UHFFFAOYSA-N 0 1 374.326 4.537 50 0 FJAAMN Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000023973443 211399728 /nfs/dbraw/zinc/39/97/28/211399728.db2.gz WSCCOCPVBRAXCR-GFCCVEGCSA-N 0 1 372.881 4.553 50 0 FJAAMN CC[C@@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 ZINC000022619735 211358044 /nfs/dbraw/zinc/35/80/44/211358044.db2.gz VPRVWFIOXRTXLG-WIYYLYMNSA-N 0 1 370.924 4.787 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)cc1 ZINC000020205269 211270093 /nfs/dbraw/zinc/27/00/93/211270093.db2.gz IOMXYWZPNVIDCH-MRXNPFEDSA-N 0 1 371.406 4.874 50 0 FJAAMN COc1cc2c(cc1OC)[C@]1(Cc3ccccc3)c3ccccc3CN1CC2 ZINC000019899088 211261537 /nfs/dbraw/zinc/26/15/37/211261537.db2.gz CLQQDVVZDDORTO-VWLOTQADSA-N 0 1 371.480 4.562 50 0 FJAAMN COc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000014142418 211079137 /nfs/dbraw/zinc/07/91/37/211079137.db2.gz OQXWAGHQLXOFKA-QGZVFWFLSA-N 0 1 360.457 4.652 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(Nc3ccc(F)cc3)n2)c1O ZINC000002257970 210387527 /nfs/dbraw/zinc/38/75/27/210387527.db2.gz BSTFDXJAAZJVEW-UHFFFAOYSA-N 0 1 361.376 4.894 50 0 FJAAMN Cc1cc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)ccc1O ZINC000067587533 221260375 /nfs/dbraw/zinc/26/03/75/221260375.db2.gz AXGBMTJUEBKFRK-UHFFFAOYSA-N 0 1 354.837 4.567 50 0 FJAAMN CC(C)c1cc(C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[nH]n1 ZINC000067742694 221280596 /nfs/dbraw/zinc/28/05/96/221280596.db2.gz QJQDAYMJKNALQL-UHFFFAOYSA-N 0 1 350.466 4.568 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2cccc(OC)c2)[nH]n1 ZINC000096398615 222119810 /nfs/dbraw/zinc/11/98/10/222119810.db2.gz JMGFJJHSXZHNST-UHFFFAOYSA-N 0 1 374.444 4.621 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)c3ccc(C(C)C)cc3)n2)o1 ZINC000097015391 222150404 /nfs/dbraw/zinc/15/04/04/222150404.db2.gz PYMNVJDCYREVAC-KHPPLWFESA-N 0 1 367.474 4.975 50 0 FJAAMN CCOC(=O)C[C@H](NCc1ccccc1C(F)(F)F)c1ccc(C)cc1 ZINC000020506783 520888978 /nfs/dbraw/zinc/88/89/78/520888978.db2.gz BJFCVZITPKOYFQ-SFHVURJKSA-N 0 1 365.395 4.798 50 0 FJAAMN O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000020203299 526752353 /nfs/dbraw/zinc/75/23/53/526752353.db2.gz ZINILCAHPHYAPU-MRXNPFEDSA-N 0 1 363.379 4.506 50 0 FJAAMN CCOc1ccc2nc(SCC(=O)c3cc(C)c(C)cc3C)[nH]c2c1 ZINC000002796914 568127507 /nfs/dbraw/zinc/12/75/07/568127507.db2.gz QAPBJXMDOKDGHI-UHFFFAOYSA-N 0 1 354.475 4.862 50 0 FJAAMN CCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)C1=CCCCC1 ZINC000023274247 570450273 /nfs/dbraw/zinc/45/02/73/570450273.db2.gz ODFHCICGAZVZSO-UHFFFAOYSA-N 0 1 369.534 4.707 50 0 FJAAMN COc1ccccc1[C@@H]1CC(=Nc2ccccc2)C(=O)N1c1ccccc1 ZINC000001201154 570491973 /nfs/dbraw/zinc/49/19/73/570491973.db2.gz SLQXAPSTRQLTFB-NRFANRHFSA-N 0 1 356.425 4.779 50 0 FJAAMN CCCCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 ZINC000002500299 570522832 /nfs/dbraw/zinc/52/28/32/570522832.db2.gz GUWUPXMKJYXBRJ-UHFFFAOYSA-N 0 1 354.475 4.768 50 0 FJAAMN CCOC(=O)[C@@H]1CCCN(Cc2cncc(-c3ccc4ccccc4c3)c2)C1 ZINC000034670364 570526863 /nfs/dbraw/zinc/52/68/63/570526863.db2.gz YVTFHHFQJFPNJZ-JOCHJYFZSA-N 0 1 374.484 4.677 50 0 FJAAMN CCCc1n[nH]c(-c2cccc(F)c2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034795130 570558316 /nfs/dbraw/zinc/55/83/16/570558316.db2.gz VIIKKPKGEPUDOM-UHFFFAOYSA-N 0 1 359.351 4.699 50 0 FJAAMN O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000003309454 570558753 /nfs/dbraw/zinc/55/87/53/570558753.db2.gz MWLVHEZKGZGZQK-UHFFFAOYSA-N 0 1 359.834 4.933 50 0 FJAAMN COc1cc(CNCc2ccncc2)ccc1OCc1ccccc1Cl ZINC000004413561 570590257 /nfs/dbraw/zinc/59/02/57/570590257.db2.gz PYJDENDJJYEZIK-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1cccs1)N1CCCCC1 ZINC000084519404 570636164 /nfs/dbraw/zinc/63/61/64/570636164.db2.gz DBSOKDODALVEDE-QUCCMNQESA-N 0 1 354.519 4.639 50 0 FJAAMN O=C([C@H](c1ccccc1)N1CCC[C@@H]1c1cccs1)N1CCCCC1 ZINC000084519404 570636168 /nfs/dbraw/zinc/63/61/68/570636168.db2.gz DBSOKDODALVEDE-QUCCMNQESA-N 0 1 354.519 4.639 50 0 FJAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206669780 570679389 /nfs/dbraw/zinc/67/93/89/570679389.db2.gz JBTBREYUCLICNB-OAHLLOKOSA-N 0 1 369.465 4.687 50 0 FJAAMN O=C(C1CCC1)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012151283 570723697 /nfs/dbraw/zinc/72/36/97/570723697.db2.gz UTFNKSRJGMEAOM-GOSISDBHSA-N 0 1 359.473 4.736 50 0 FJAAMN OCC1(CCCc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000012582304 570751327 /nfs/dbraw/zinc/75/13/27/570751327.db2.gz SMQSBLIQHMKXMS-UHFFFAOYSA-N 0 1 373.924 4.643 50 0 FJAAMN c1ccc(SCCCN2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000013683722 570783977 /nfs/dbraw/zinc/78/39/77/570783977.db2.gz FMAHYEKYINWZLU-UHFFFAOYSA-N 0 1 369.559 4.601 50 0 FJAAMN C[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1 ZINC000014169648 570810022 /nfs/dbraw/zinc/81/00/22/570810022.db2.gz OUMWDQFSKRDQDG-HNNXBMFYSA-N 0 1 352.459 4.830 50 0 FJAAMN Cc1sc2[nH]c([C@H](C)N[C@@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233863 570814322 /nfs/dbraw/zinc/81/43/22/570814322.db2.gz KVZOMRKOXNTJCW-KBPBESRZSA-N 0 1 355.507 4.630 50 0 FJAAMN COc1ccc(OC)c(CN(Cc2cc(F)cc3cccnc32)C2CC2)c1 ZINC000032825353 570816733 /nfs/dbraw/zinc/81/67/33/570816733.db2.gz BJSPUSGVWJBICO-UHFFFAOYSA-N 0 1 366.436 4.556 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 ZINC000004556152 570834628 /nfs/dbraw/zinc/83/46/28/570834628.db2.gz BFUQMMQBRKJPQA-GOSISDBHSA-N 0 1 369.534 4.853 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 ZINC000004556169 570834639 /nfs/dbraw/zinc/83/46/39/570834639.db2.gz PZBAGRIDWPUUEP-IBGZPJMESA-N 0 1 363.486 4.708 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)C)cc2)N3)C1 ZINC000004556419 570834666 /nfs/dbraw/zinc/83/46/66/570834666.db2.gz CWQPYXVLBNMCBP-GOSISDBHSA-N 0 1 355.507 4.678 50 0 FJAAMN CC[NH+](CC)CCc1c(C)[nH]c(/C=C2/N=C(C)C(CCC(=O)[O-])=C2C)c1C ZINC000103425139 570850013 /nfs/dbraw/zinc/85/00/13/570850013.db2.gz WNCNTSMXTVBJNS-DEDYPNTBSA-N 0 1 371.525 4.513 50 0 FJAAMN COc1ccc2ccccc2c1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000016662751 570859941 /nfs/dbraw/zinc/85/99/41/570859941.db2.gz MLUICTWTQYKFSY-UHFFFAOYSA-N 0 1 366.892 4.824 50 0 FJAAMN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)C1(C)C ZINC000107347972 570896490 /nfs/dbraw/zinc/89/64/90/570896490.db2.gz VSPDUSWQQZCQAU-LZQZEXGQSA-N 0 1 351.494 4.773 50 0 FJAAMN COc1cccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864921 570926095 /nfs/dbraw/zinc/92/60/95/570926095.db2.gz LHTJIRMYTXFCQU-HXUWFJFHSA-N 0 1 350.487 4.619 50 0 FJAAMN CN1CCN(C/C=C2/c3ccccc3CSc3cc(Cl)ccc32)CC1 ZINC000022032087 570937835 /nfs/dbraw/zinc/93/78/35/570937835.db2.gz UFCNCLSIWYRAOP-UWVJOHFNSA-N 0 1 370.949 4.625 50 0 FJAAMN C[N@H+](Cc1ccccc1-c1nc(C2CCC2)cc(=O)[n-]1)C1CCCCCC1 ZINC000048488495 570956165 /nfs/dbraw/zinc/95/61/65/570956165.db2.gz OEWYYZFVFKPDTK-UHFFFAOYSA-N 0 1 365.521 4.859 50 0 FJAAMN C[N@@H+](Cc1ccccc1-c1nc(C2CCC2)cc(=O)[n-]1)C1CCCCCC1 ZINC000048488495 570956169 /nfs/dbraw/zinc/95/61/69/570956169.db2.gz OEWYYZFVFKPDTK-UHFFFAOYSA-N 0 1 365.521 4.859 50 0 FJAAMN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc(O)c(Cl)c1 ZINC000025618192 570998040 /nfs/dbraw/zinc/99/80/40/570998040.db2.gz MXFMUBWKIKAMBT-QGZVFWFLSA-N 0 1 361.825 4.766 50 0 FJAAMN O=C(Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027749273 571020367 /nfs/dbraw/zinc/02/03/67/571020367.db2.gz MLRCAEJESKGIRC-OAQYLSRUSA-N 0 1 370.924 4.616 50 0 FJAAMN CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000028252115 571028729 /nfs/dbraw/zinc/02/87/29/571028729.db2.gz PNAKWNAHVKXLLJ-UHFFFAOYSA-N 0 1 361.507 4.982 50 0 FJAAMN Cc1cc([C@H]2CCCN(C(=O)c3cccc(N[C@H](C)C(C)C)c3C)C2)n[nH]1 ZINC000225430507 571034559 /nfs/dbraw/zinc/03/45/59/571034559.db2.gz OCOINZAAQCFAOV-MSOLQXFVSA-N 0 1 368.525 4.503 50 0 FJAAMN Cc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000028869864 571034997 /nfs/dbraw/zinc/03/49/97/571034997.db2.gz OVXBRPKFSPTBLG-LBPRGKRZSA-N 0 1 372.881 4.553 50 0 FJAAMN CCc1ccc(-c2n[nH]c(SCc3ncc(-c4ccccc4)o3)n2)cc1 ZINC000008484089 571048182 /nfs/dbraw/zinc/04/81/82/571048182.db2.gz PTCZIAYWLFIERC-UHFFFAOYSA-N 0 1 362.458 4.981 50 0 FJAAMN CCC(=O)Nc1ccc([C@H](C)NCc2csc(Br)c2)cc1 ZINC000030640187 571048368 /nfs/dbraw/zinc/04/83/68/571048368.db2.gz PHROUQPIJWRNEH-NSHDSACASA-N 0 1 367.312 4.710 50 0 FJAAMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(OCc2ccncc2)cc1 ZINC000030628297 571048489 /nfs/dbraw/zinc/04/84/89/571048489.db2.gz LWILGYLIPWKHJS-GOSISDBHSA-N 0 1 362.473 4.828 50 0 FJAAMN Cn1ncc2c1CCC[C@@H]2NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000067448903 571051444 /nfs/dbraw/zinc/05/14/44/571051444.db2.gz NAPBKVJUEVDSMU-SFHVURJKSA-N 0 1 369.415 4.658 50 0 FJAAMN O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000031560520 571055019 /nfs/dbraw/zinc/05/50/19/571055019.db2.gz BATDJYIYGYYDHD-XMMPIXPASA-N 0 1 370.496 4.823 50 0 FJAAMN COc1ccc(CN2CCCCC[C@@H]2c2cccc(F)c2)c(OC)c1OC ZINC000033087134 571062144 /nfs/dbraw/zinc/06/21/44/571062144.db2.gz YWFBYBBZJDLFPV-LJQANCHMSA-N 0 1 373.468 4.969 50 0 FJAAMN CC(C)(C)c1nc2ccc(NC(=O)Cc3cccc4cccnc43)cc2[nH]1 ZINC000040069833 571071771 /nfs/dbraw/zinc/07/17/71/571071771.db2.gz YWZWNDXMTOYIEE-UHFFFAOYSA-N 0 1 358.445 4.590 50 0 FJAAMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511282 571076817 /nfs/dbraw/zinc/07/68/17/571076817.db2.gz VGPKCJZCKKPHDO-IBGZPJMESA-N 0 1 350.466 4.834 50 0 FJAAMN COc1ccccc1CNCc1ccc(OC(C)C)c(Br)c1 ZINC000040730979 571094014 /nfs/dbraw/zinc/09/40/14/571094014.db2.gz CMXZRJAAPSPJNR-UHFFFAOYSA-N 0 1 364.283 4.535 50 0 FJAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccnc2)cc1 ZINC000009220980 571101492 /nfs/dbraw/zinc/10/14/92/571101492.db2.gz BHLBFLWZMRLKMI-UHFFFAOYSA-N 0 1 354.457 4.533 50 0 FJAAMN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000044933461 571104927 /nfs/dbraw/zinc/10/49/27/571104927.db2.gz LSWIXJYMKAWWST-QGZVFWFLSA-N 0 1 370.924 4.738 50 0 FJAAMN CCCSc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1 ZINC000001684180 571113474 /nfs/dbraw/zinc/11/34/74/571113474.db2.gz LQYOTQMCAWGRNR-UHFFFAOYSA-N 0 1 370.562 4.562 50 0 FJAAMN COc1c[nH]c(CN(CCC2=CCCCC2)Cc2ccc(F)cc2)cc1=O ZINC000244787977 571116605 /nfs/dbraw/zinc/11/66/05/571116605.db2.gz QHFVEEQMFPCLQR-UHFFFAOYSA-N 0 1 370.468 4.828 50 0 FJAAMN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)cc1 ZINC000010139794 571122917 /nfs/dbraw/zinc/12/29/17/571122917.db2.gz ZHYNGRSAMYHGBS-UHFFFAOYSA-N 0 1 367.880 4.639 50 0 FJAAMN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000035287170 571140739 /nfs/dbraw/zinc/14/07/39/571140739.db2.gz BJUMGNUGYMALPB-JPYJTQIMSA-N 0 1 374.484 4.665 50 0 FJAAMN CCCc1ccc(CN2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)o1 ZINC000067896278 571151593 /nfs/dbraw/zinc/15/15/93/571151593.db2.gz GQNDVQCCDLLPGF-UHFFFAOYSA-N 0 1 364.489 4.572 50 0 FJAAMN CS[C@H](C)CCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067946257 571152211 /nfs/dbraw/zinc/15/22/11/571152211.db2.gz GSBLTAPRIGYYHU-CYBMUJFWSA-N 0 1 363.548 4.765 50 0 FJAAMN CCOc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1OC ZINC000004678993 571158500 /nfs/dbraw/zinc/15/85/00/571158500.db2.gz IWKOJRMOXJFBLH-UHFFFAOYSA-N 0 1 365.477 4.723 50 0 FJAAMN CC(=O)c1cc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cs1 ZINC000072155879 571175004 /nfs/dbraw/zinc/17/50/04/571175004.db2.gz IRGGRQCIKHTHOA-JAXLGGSGSA-N 0 1 369.530 4.603 50 0 FJAAMN Cc1[nH]c(SCc2nc(-c3ccsc3)no2)nc1Cc1ccccc1 ZINC000012559198 571181556 /nfs/dbraw/zinc/18/15/56/571181556.db2.gz ZSQOYNIGZWTYBV-UHFFFAOYSA-N 0 1 368.487 4.713 50 0 FJAAMN CCn1c(-c2cc(NC(=O)CCc3ccccc3)[nH]n2)cc2ccccc21 ZINC000075558620 571200364 /nfs/dbraw/zinc/20/03/64/571200364.db2.gz BLRSBZXHJYHWMZ-UHFFFAOYSA-N 0 1 358.445 4.623 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccccc2C)[nH]n1 ZINC000075558744 571200712 /nfs/dbraw/zinc/20/07/12/571200712.db2.gz NRNTVHSQXODSAF-UHFFFAOYSA-N 0 1 358.445 4.920 50 0 FJAAMN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cccc4ccccc43)[nH]n2)c1 ZINC000072427474 571202272 /nfs/dbraw/zinc/20/22/72/571202272.db2.gz AVLSDALFBXMQJH-UHFFFAOYSA-N 0 1 357.413 4.805 50 0 FJAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000075448592 571203186 /nfs/dbraw/zinc/20/31/86/571203186.db2.gz ZPZSLWRUMSUWCW-IBGZPJMESA-N 0 1 366.465 4.534 50 0 FJAAMN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000077284738 571206027 /nfs/dbraw/zinc/20/60/27/571206027.db2.gz WOZGUELFOOVYPC-GOSISDBHSA-N 0 1 370.456 4.578 50 0 FJAAMN Cc1cccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 ZINC000077505227 571213997 /nfs/dbraw/zinc/21/39/97/571213997.db2.gz OWIIQMYQLHXUEB-GOSISDBHSA-N 0 1 363.436 4.544 50 0 FJAAMN O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077525302 571214888 /nfs/dbraw/zinc/21/48/88/571214888.db2.gz ZNUOFJRFCNWHBS-SFHVURJKSA-N 0 1 355.438 4.645 50 0 FJAAMN COc1ccccc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000033328627 571235150 /nfs/dbraw/zinc/23/51/50/571235150.db2.gz DXVTXCMTWPMOHF-UHFFFAOYSA-N 0 1 357.413 4.799 50 0 FJAAMN CCCc1nc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cs1 ZINC000091624885 571241628 /nfs/dbraw/zinc/24/16/28/571241628.db2.gz VBROZPXHCMWCQB-OAHLLOKOSA-N 0 1 374.897 4.603 50 0 FJAAMN FC(F)(F)c1cccc(CN2CCC(Cn3cnc4ccccc43)CC2)c1 ZINC000036708889 571261402 /nfs/dbraw/zinc/26/14/02/571261402.db2.gz NKGVYUHHWHYEFM-UHFFFAOYSA-N 0 1 373.422 4.967 50 0 FJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000007275914 571263872 /nfs/dbraw/zinc/26/38/72/571263872.db2.gz QKLMFWKDGOWBSV-HZPDHXFCSA-N 0 1 357.866 4.863 50 0 FJAAMN Cn1ccnc1C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000170593517 571266267 /nfs/dbraw/zinc/26/62/67/571266267.db2.gz HFKFZNGILSQMNK-CYBMUJFWSA-N 0 1 371.834 4.547 50 0 FJAAMN O=c1nc(Cc2ccc(O)cc2)[nH]c2cc(-c3cccc(Cl)c3)sc21 ZINC000089774685 571272993 /nfs/dbraw/zinc/27/29/93/571272993.db2.gz LPCWSKNZYUFCSW-UHFFFAOYSA-N 0 1 368.845 4.601 50 0 FJAAMN O[C@H](C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000195567239 571289713 /nfs/dbraw/zinc/28/97/13/571289713.db2.gz KWMNCKCOOLDATE-CRAIPNDOSA-N 0 1 372.921 4.863 50 0 FJAAMN c1ccc2sc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)nc2c1 ZINC000027574125 571318016 /nfs/dbraw/zinc/31/80/16/571318016.db2.gz HRLKHBULGHNVJZ-UHFFFAOYSA-N 0 1 366.486 4.970 50 0 FJAAMN c1ccc2sc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)nc2c1 ZINC000027574125 571318017 /nfs/dbraw/zinc/31/80/17/571318017.db2.gz HRLKHBULGHNVJZ-UHFFFAOYSA-N 0 1 366.486 4.970 50 0 FJAAMN CC(C)[C@@H](N[C@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968211 571333217 /nfs/dbraw/zinc/33/32/17/571333217.db2.gz WNPQMUMEKDHPHG-FUHWJXTLSA-N 0 1 363.274 4.957 50 0 FJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nc3ccccc3o2)n1 ZINC000008271451 571360134 /nfs/dbraw/zinc/36/01/34/571360134.db2.gz UHBRHNUDCNQOBX-UHFFFAOYSA-N 0 1 372.837 4.567 50 0 FJAAMN COc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2C)cc1 ZINC000000730159 210268218 /nfs/dbraw/zinc/26/82/18/210268218.db2.gz ZGCCOVUQSUVZAA-UHFFFAOYSA-N 0 1 369.442 4.597 50 0 FJAAMN O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccc(Cl)cc2)n1 ZINC000000753322 210266795 /nfs/dbraw/zinc/26/67/95/210266795.db2.gz UDGBCKNUZXVPJS-UHFFFAOYSA-N 0 1 355.802 4.943 50 0 FJAAMN CC(C)c1nc2ccc(NC(=O)N(Cc3cccc(O)c3)C3CC3)cc2[nH]1 ZINC000299783618 210026846 /nfs/dbraw/zinc/02/68/46/210026846.db2.gz WCYKJHPZGZVJJE-UHFFFAOYSA-N 0 1 364.449 4.588 50 0 FJAAMN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000000953504 203966502 /nfs/dbraw/zinc/96/65/02/203966502.db2.gz MNJXVJBTBJYRML-UHFFFAOYSA-N 0 1 369.286 4.525 50 0 FJAAMN O=c1oc2cc(O)ccc2cc1-c1csc(-c2ccccc2Cl)n1 ZINC000002957577 204071526 /nfs/dbraw/zinc/07/15/26/204071526.db2.gz QFTHYXGEARVLBB-UHFFFAOYSA-N 0 1 355.802 4.943 50 0 FJAAMN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1cccc(Cl)c1 ZINC000002580964 204045107 /nfs/dbraw/zinc/04/51/07/204045107.db2.gz BITLFFDWVWGZFR-HXUWFJFHSA-N 0 1 372.896 4.746 50 0 FJAAMN S=c1[nH]nc(CNc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000004619317 204150160 /nfs/dbraw/zinc/15/01/60/204150160.db2.gz XSPFUUGBCGSSHB-UHFFFAOYSA-N 0 1 351.262 4.849 50 0 FJAAMN COc1cc(CNCc2ccccn2)ccc1OCc1ccccc1Cl ZINC000004622057 204150375 /nfs/dbraw/zinc/15/03/75/204150375.db2.gz ANPPGACKDCNCDR-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1 ZINC000004678969 204153658 /nfs/dbraw/zinc/15/36/58/204153658.db2.gz SAGZEUAEYGQNBR-UHFFFAOYSA-N 0 1 359.832 4.890 50 0 FJAAMN CCOc1ccc(-c2cnc(NCc3ccc(SC)cc3)n2C)cc1 ZINC000004678889 204154607 /nfs/dbraw/zinc/15/46/07/204154607.db2.gz BXLORIQUJORLBL-UHFFFAOYSA-N 0 1 353.491 4.820 50 0 FJAAMN COc1cccc(CNCc2cccs2)c1OCc1ccc(F)cc1 ZINC000004784831 204162876 /nfs/dbraw/zinc/16/28/76/204162876.db2.gz HJBOBAYFTLBOJH-UHFFFAOYSA-N 0 1 357.450 4.765 50 0 FJAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000004553969 204147070 /nfs/dbraw/zinc/14/70/70/204147070.db2.gz TWCWGJZBRRFOSJ-MRXNPFEDSA-N 0 1 361.898 4.597 50 0 FJAAMN Cn1c(-c2ccccc2)cnc1NCc1cc(Br)ccc1F ZINC000006721485 204263781 /nfs/dbraw/zinc/26/37/81/204263781.db2.gz BLNFOJMLNGSYFP-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2c(F)ccc(F)c12 ZINC000008580447 204335525 /nfs/dbraw/zinc/33/55/25/204335525.db2.gz BJBXJUMCCZGGEJ-UHFFFAOYSA-N 0 1 360.669 4.541 50 0 FJAAMN Cc1[nH]c(SCC(=O)c2ccc(Cl)cc2)nc1Cc1ccccc1 ZINC000008813118 204346379 /nfs/dbraw/zinc/34/63/79/204346379.db2.gz OKHOQGQIBQNWDX-UHFFFAOYSA-N 0 1 356.878 4.937 50 0 FJAAMN CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C(C)C ZINC000009959459 204386962 /nfs/dbraw/zinc/38/69/62/204386962.db2.gz BPYDLNVPCXLBAM-UHFFFAOYSA-N 0 1 370.541 4.978 50 0 FJAAMN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C(C)C ZINC000009942779 204387428 /nfs/dbraw/zinc/38/74/28/204387428.db2.gz HPOABIQFGJBERU-UHFFFAOYSA-N 0 1 356.514 4.732 50 0 FJAAMN O=c1c2ccccc2[nH]c(=S)n1[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000058477827 212012313 /nfs/dbraw/zinc/01/23/13/212012313.db2.gz OPQSUJDSBXPIDB-MRXNPFEDSA-N 0 1 374.412 4.586 50 0 FJAAMN CN(Cc1cccc2ccccc21)Cc1cc(Cl)cc2c1OCOC2 ZINC000058419350 212009143 /nfs/dbraw/zinc/00/91/43/212009143.db2.gz FICAHNCLBBXOQW-UHFFFAOYSA-N 0 1 353.849 4.992 50 0 FJAAMN Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](/C=C/c3ccccc3)C2)c(=O)o1 ZINC000036619602 205018497 /nfs/dbraw/zinc/01/84/97/205018497.db2.gz REPFMDKXWWMXTP-FLVLSHQESA-N 0 1 372.424 4.672 50 0 FJAAMN Cc1cc(Br)ccc1-c1ccc(CNCc2ccncc2)o1 ZINC000040721937 205077187 /nfs/dbraw/zinc/07/71/87/205077187.db2.gz BMJFVPMDZZNRNZ-UHFFFAOYSA-N 0 1 357.251 4.702 50 0 FJAAMN CC(C)Oc1c(Cl)cc(CNCc2ccc3c(c2)OCO3)cc1Cl ZINC000040730717 205078293 /nfs/dbraw/zinc/07/82/93/205078293.db2.gz SNQDRBZVEJTWKF-UHFFFAOYSA-N 0 1 368.260 4.799 50 0 FJAAMN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838378 205111128 /nfs/dbraw/zinc/11/11/28/205111128.db2.gz QCOOZTKINGQPEH-OAHLLOKOSA-N 0 1 353.425 4.821 50 0 FJAAMN Cc1ccc(F)cc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837489 205111884 /nfs/dbraw/zinc/11/18/84/205111884.db2.gz HYZIMZFBBRQXJC-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000044934154 205115894 /nfs/dbraw/zinc/11/58/94/205115894.db2.gz FULQOPCNDBFNLU-OAHLLOKOSA-N 0 1 374.887 4.569 50 0 FJAAMN CCOc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 ZINC000046913965 211842756 /nfs/dbraw/zinc/84/27/56/211842756.db2.gz CFFCBYXEUJRNCU-UHFFFAOYSA-N 0 1 366.808 4.846 50 0 FJAAMN COc1cc2c(cc1NC(=O)[C@H](C)NCc1ccccc1)oc1ccccc12 ZINC000059924998 205282546 /nfs/dbraw/zinc/28/25/46/205282546.db2.gz KGCACXSWZYRARR-HNNXBMFYSA-N 0 1 374.440 4.711 50 0 FJAAMN CC(C)C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O)c1ccccc1 ZINC000063809033 205294039 /nfs/dbraw/zinc/29/40/39/205294039.db2.gz XJZPWIMXOMXHBO-INIZCTEOSA-N 0 1 367.474 4.515 50 0 FJAAMN CSc1nc(=O)c2scc(-c3cccc(Br)c3)c2[nH]1 ZINC000067172491 205366853 /nfs/dbraw/zinc/36/68/53/205366853.db2.gz LHIJJDVOMRQIPF-UHFFFAOYSA-N 0 1 353.266 4.548 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1C[C@H]1OCCc2ccccc21 ZINC000067769515 205389694 /nfs/dbraw/zinc/38/96/94/205389694.db2.gz OZZAKRZLIDMAQH-HXUWFJFHSA-N 0 1 370.456 4.563 50 0 FJAAMN COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccc(C)cc3)ccc2c1 ZINC000015544864 220155611 /nfs/dbraw/zinc/15/56/11/220155611.db2.gz XSPFFITYVZEAKO-QGZVFWFLSA-N 0 1 362.473 4.616 50 0 FJAAMN Fc1cccc(Cl)c1COc1ccccc1CNCc1cccnc1 ZINC000040732172 211756609 /nfs/dbraw/zinc/75/66/09/211756609.db2.gz XJRUVPWEVCOWPP-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN Cc1ccccc1COc1ccccc1CNCc1ccc2c(c1)OCO2 ZINC000040731607 211755328 /nfs/dbraw/zinc/75/53/28/211755328.db2.gz HGPBZKNUAVLLAX-UHFFFAOYSA-N 0 1 361.441 4.593 50 0 FJAAMN Brc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315272 206173898 /nfs/dbraw/zinc/17/38/98/206173898.db2.gz FIUOBDYGOWCQFC-UHFFFAOYSA-N 0 1 370.294 4.705 50 0 FJAAMN CCN(CC)c1ccc2[nH]c(C)c(CN(C)Cc3ccccc3)c(=O)c2c1 ZINC000008572544 206217943 /nfs/dbraw/zinc/21/79/43/206217943.db2.gz WYJNZNDVDGFJRX-UHFFFAOYSA-N 0 1 363.505 4.727 50 0 FJAAMN Cc1ccc(-c2nc(CSc3n[nH]c(CC4CCCC4)n3)co2)cc1 ZINC000012792581 206297439 /nfs/dbraw/zinc/29/74/39/206297439.db2.gz PCRHZNPGBRPYJH-UHFFFAOYSA-N 0 1 354.479 4.793 50 0 FJAAMN Cc1ccc(-c2nc(CSc3nc(CC4CCCC4)n[nH]3)co2)cc1 ZINC000012792581 206297443 /nfs/dbraw/zinc/29/74/43/206297443.db2.gz PCRHZNPGBRPYJH-UHFFFAOYSA-N 0 1 354.479 4.793 50 0 FJAAMN COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000014256401 206309250 /nfs/dbraw/zinc/30/92/50/206309250.db2.gz UGZNLXBKXALJGD-UHFFFAOYSA-N 0 1 361.507 4.917 50 0 FJAAMN CC(C)[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529537 206385113 /nfs/dbraw/zinc/38/51/13/206385113.db2.gz LKOPIZBVRYUGLP-VQTJNVASSA-N 0 1 356.897 4.647 50 0 FJAAMN O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(Cl)ccc1O ZINC000022067730 211337327 /nfs/dbraw/zinc/33/73/27/211337327.db2.gz MWDYATCWJFIPIL-UHFFFAOYSA-N 0 1 370.861 4.985 50 0 FJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@H](C)c1ccc(F)cc1 ZINC000017312241 211184975 /nfs/dbraw/zinc/18/49/75/211184975.db2.gz VDFKPMXXZLAEAU-MRXNPFEDSA-N 0 1 351.469 4.847 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(Nc3ccccc3F)n2)c1O ZINC000017196322 211180578 /nfs/dbraw/zinc/18/05/78/211180578.db2.gz ZUGDHBOTLIGZSM-UHFFFAOYSA-N 0 1 361.376 4.894 50 0 FJAAMN COc1ccccc1C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000015863874 211147655 /nfs/dbraw/zinc/14/76/55/211147655.db2.gz MCNLALYQNJIMCU-UHFFFAOYSA-N 0 1 371.440 4.609 50 0 FJAAMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000014257065 211088385 /nfs/dbraw/zinc/08/83/85/211088385.db2.gz HRWLCFHZQHJKET-GFCCVEGCSA-N 0 1 353.871 4.663 50 0 FJAAMN Clc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000014250993 211089057 /nfs/dbraw/zinc/08/90/57/211089057.db2.gz IKBSEBXVJZKFRI-UHFFFAOYSA-N 0 1 369.921 4.708 50 0 FJAAMN C[C@@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccs1 ZINC000014169646 211080582 /nfs/dbraw/zinc/08/05/82/211080582.db2.gz OUMWDQFSKRDQDG-OAHLLOKOSA-N 0 1 352.459 4.830 50 0 FJAAMN Cc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 ZINC000013945432 211064945 /nfs/dbraw/zinc/06/49/45/211064945.db2.gz ALLZIZZUNWKXDF-IBGZPJMESA-N 0 1 365.502 4.764 50 0 FJAAMN COc1ccc(OC)c(Nc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000013124866 211024919 /nfs/dbraw/zinc/02/49/19/211024919.db2.gz NDVOPZYCBHNEDI-UHFFFAOYSA-N 0 1 373.412 4.763 50 0 FJAAMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(C)Cc1ccc2ccccc2c1 ZINC000012992687 211017048 /nfs/dbraw/zinc/01/70/48/211017048.db2.gz YETOIUREXXRDSP-DLBZAZTESA-N 0 1 364.464 4.677 50 0 FJAAMN C[C@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040188 211022222 /nfs/dbraw/zinc/02/22/22/211022222.db2.gz ZCGIWGLKICHLQU-CABCVRRESA-N 0 1 374.937 4.908 50 0 FJAAMN C[C@@H](NCC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040191 211022009 /nfs/dbraw/zinc/02/20/09/211022009.db2.gz ZCGIWGLKICHLQU-LSDHHAIUSA-N 0 1 374.937 4.908 50 0 FJAAMN Cc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000012872311 211001832 /nfs/dbraw/zinc/00/18/32/211001832.db2.gz BPAOQYLTOUXPAL-LJQANCHMSA-N 0 1 357.885 4.607 50 0 FJAAMN COc1ccc2nc(SC[C@H](O)c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000005489929 210623857 /nfs/dbraw/zinc/62/38/57/210623857.db2.gz CEKSBVMMRNCXES-HNNXBMFYSA-N 0 1 369.273 4.704 50 0 FJAAMN NNc1nc(-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000001198693 210333743 /nfs/dbraw/zinc/33/37/43/210333743.db2.gz QIYDTJYRVYFNCX-UHFFFAOYSA-N 0 1 356.473 4.854 50 0 FJAAMN C[C@@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508769 221090931 /nfs/dbraw/zinc/09/09/31/221090931.db2.gz AAHVOFVHUPKGGC-AUUYWEPGSA-N 0 1 354.450 4.593 50 0 FJAAMN C[C@@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508758 221091128 /nfs/dbraw/zinc/09/11/28/221091128.db2.gz AAHVOFVHUPKGGC-KUHUBIRLSA-N 0 1 354.450 4.593 50 0 FJAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000065322371 221200117 /nfs/dbraw/zinc/20/01/17/221200117.db2.gz DTLULBFYTHFETQ-UHFFFAOYSA-N 0 1 370.541 4.663 50 0 FJAAMN Cc1ccccc1-c1cc(O)c2c(c1)CN(CCCc1cccnc1)CCO2 ZINC000067774897 221285029 /nfs/dbraw/zinc/28/50/29/221285029.db2.gz WNVJTSCBCHVGHL-UHFFFAOYSA-N 0 1 374.484 4.590 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1Cc1cc2cc(F)ccc2[nH]1 ZINC000067974144 221310332 /nfs/dbraw/zinc/31/03/32/221310332.db2.gz SSSFNEMYCBWABN-UHFFFAOYSA-N 0 1 371.419 4.917 50 0 FJAAMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](CCc4ccccc4C)C3)c2c1 ZINC000071748196 221359450 /nfs/dbraw/zinc/35/94/50/221359450.db2.gz QSKGSTUFONNLDU-GOSISDBHSA-N 0 1 361.489 4.665 50 0 FJAAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(-c2cccs2)no1 ZINC000071868920 221384828 /nfs/dbraw/zinc/38/48/28/221384828.db2.gz POKWJQRWWCXMAR-SECBINFHSA-N 0 1 373.438 4.576 50 0 FJAAMN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000059369977 136132138 /nfs/dbraw/zinc/13/21/38/136132138.db2.gz WELKZOGJWUTYHD-IBGZPJMESA-N 0 1 370.496 4.734 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)c3cc(C)ccc3C)n2)o1 ZINC000097015502 222151066 /nfs/dbraw/zinc/15/10/66/222151066.db2.gz MRBQGSINFLOLFU-KVPUOBJLSA-N 0 1 367.474 4.857 50 0 FJAAMN CCCOc1c(Cl)cc(CNCc2ccccc2OC)cc1OCC ZINC000020932166 520296736 /nfs/dbraw/zinc/29/67/36/520296736.db2.gz XGRCTXHXFCVDLL-UHFFFAOYSA-N 0 1 363.885 4.826 50 0 FJAAMN CCC[C@H](C)c1[nH]nc2c1CN(Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000244724739 521071202 /nfs/dbraw/zinc/07/12/02/521071202.db2.gz MZUGPDVKLYDSDC-HNAYVOBHSA-N 0 1 357.498 4.706 50 0 FJAAMN Cc1[nH]c(S[C@H](C)C(=O)NC2CCCCCC2)nc1Cc1ccccc1 ZINC000008723754 525415038 /nfs/dbraw/zinc/41/50/38/525415038.db2.gz RLVBDFFJFMRUJW-MRXNPFEDSA-N 0 1 371.550 4.629 50 0 FJAAMN C[C@H](NCc1cnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905151 525477691 /nfs/dbraw/zinc/47/76/91/525477691.db2.gz CUGVIBJJOJYWDL-NHYWBVRUSA-N 0 1 367.312 4.608 50 0 FJAAMN Fc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)c1 ZINC000020293902 526380392 /nfs/dbraw/zinc/38/03/92/526380392.db2.gz SUUQGAMPRHWMAT-MRXNPFEDSA-N 0 1 371.406 4.874 50 0 FJAAMN Fc1ccccc1OC1CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000215861970 568093006 /nfs/dbraw/zinc/09/30/06/568093006.db2.gz CSCQZRLJGPTLRY-LJQANCHMSA-N 0 1 361.482 4.782 50 0 FJAAMN CN(C)[C@@H](CNC(=O)c1sccc1-c1ccccc1)c1cccc(F)c1 ZINC000032729659 568398489 /nfs/dbraw/zinc/39/84/89/568398489.db2.gz SVZLADIVKNZKAZ-IBGZPJMESA-N 0 1 368.477 4.587 50 0 FJAAMN C[C@H](c1ccccc1)N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937451 568428847 /nfs/dbraw/zinc/42/88/47/568428847.db2.gz RVMBQMFUNIBPPN-DMZKTXOQSA-N 0 1 356.318 4.794 50 0 FJAAMN O=C([C@@H](c1ccccc1)N1CCC[C@H]1c1cccs1)N1CCCCC1 ZINC000247809018 570492154 /nfs/dbraw/zinc/49/21/54/570492154.db2.gz DBSOKDODALVEDE-AZUAARDMSA-N 0 1 354.519 4.639 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1ccccc1F ZINC000034794347 570557565 /nfs/dbraw/zinc/55/75/65/570557565.db2.gz PRWRCJKXYYJRRM-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN CCCN(CCC)c1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000005024566 570575793 /nfs/dbraw/zinc/57/57/93/570575793.db2.gz CFWPRVNDCJZBNJ-UHFFFAOYSA-N 0 1 351.450 4.637 50 0 FJAAMN COc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)cc1 ZINC000004413512 570590213 /nfs/dbraw/zinc/59/02/13/570590213.db2.gz OYLFZTBILRRYIC-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000004622013 570597986 /nfs/dbraw/zinc/59/79/86/570597986.db2.gz GZJYHKMPUBEUSL-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)cc1 ZINC000011917270 570601765 /nfs/dbraw/zinc/60/17/65/570601765.db2.gz WDIRJLMHWHERNY-FQEVSTJZSA-N 0 1 374.912 4.552 50 0 FJAAMN Cc1ccc2nc([C@@H]3CCCN3Cc3cn4cc(Cl)ccc4n3)[nH]c2c1 ZINC000253428431 570625615 /nfs/dbraw/zinc/62/56/15/570625615.db2.gz JTETUSAQFAXGLZ-SFHVURJKSA-N 0 1 365.868 4.510 50 0 FJAAMN Cc1[nH]c(SCc2nnc(-c3ccccc3)o2)nc1Cc1ccccc1 ZINC000005312412 570646919 /nfs/dbraw/zinc/64/69/19/570646919.db2.gz MDIAASVWWNXYKU-UHFFFAOYSA-N 0 1 362.458 4.651 50 0 FJAAMN CSCCc1nc(SCC(=O)Nc2cccc3ccccc32)[nH]c1C ZINC000006459096 570647398 /nfs/dbraw/zinc/64/73/98/570647398.db2.gz YYJGUWQAWIVWOL-UHFFFAOYSA-N 0 1 371.531 4.508 50 0 FJAAMN CCCCOc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000006667512 570651368 /nfs/dbraw/zinc/65/13/68/570651368.db2.gz UCHRPFCIZJMCGD-UHFFFAOYSA-N 0 1 352.522 4.805 50 0 FJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000005423648 570654128 /nfs/dbraw/zinc/65/41/28/570654128.db2.gz HYWPIDHLCBKOFI-HOTGVXAUSA-N 0 1 357.866 4.863 50 0 FJAAMN COc1ccc2nc(SC[C@@H](O)c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000005489937 570663743 /nfs/dbraw/zinc/66/37/43/570663743.db2.gz CEKSBVMMRNCXES-OAHLLOKOSA-N 0 1 369.273 4.704 50 0 FJAAMN COc1ccc(CNCc2cccc(OC)c2OCc2ccccc2)cc1 ZINC000007538314 570665875 /nfs/dbraw/zinc/66/58/75/570665875.db2.gz IPSFVJUVMNYEIV-UHFFFAOYSA-N 0 1 363.457 4.573 50 0 FJAAMN Cc1cc(CN(C)C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)n[nH]1 ZINC000011819560 570708145 /nfs/dbraw/zinc/70/81/45/570708145.db2.gz RNNMMDIQEOMFIR-HXUWFJFHSA-N 0 1 367.880 4.552 50 0 FJAAMN CSc1ccc(C(=O)[C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000011874373 570710920 /nfs/dbraw/zinc/71/09/20/570710920.db2.gz GYADGFRVILIPIL-SFHVURJKSA-N 0 1 364.514 4.985 50 0 FJAAMN COCCN(Cc1nc(-c2ccc(OC)c3ccccc23)oc1C)C(C)C ZINC000012298047 570732663 /nfs/dbraw/zinc/73/26/63/570732663.db2.gz YGHZVEJIPVJRBB-UHFFFAOYSA-N 0 1 368.477 4.669 50 0 FJAAMN Cc1oc(-c2ccco2)nc1CN1CCCC[C@H]1CCc1ccccn1 ZINC000012299593 570733253 /nfs/dbraw/zinc/73/32/53/570733253.db2.gz VCGFOEXCZWOBJY-SFHVURJKSA-N 0 1 351.450 4.625 50 0 FJAAMN Cc1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1 ZINC000012305237 570734797 /nfs/dbraw/zinc/73/47/97/570734797.db2.gz OYONVECLHQWXFP-HXUWFJFHSA-N 0 1 360.505 4.687 50 0 FJAAMN CCCCc1ncc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)[nH]1 ZINC000012305748 570734919 /nfs/dbraw/zinc/73/49/19/570734919.db2.gz PDUUIJZKOVTBLS-MRXNPFEDSA-N 0 1 359.901 4.501 50 0 FJAAMN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000012305071 570734967 /nfs/dbraw/zinc/73/49/67/570734967.db2.gz DNTGSFAWVLLJCK-JOCHJYFZSA-N 0 1 356.469 4.844 50 0 FJAAMN COCc1ccc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)o1 ZINC000012373742 570740113 /nfs/dbraw/zinc/74/01/13/570740113.db2.gz DLROLLGNAWCZEA-SFHVURJKSA-N 0 1 369.505 4.818 50 0 FJAAMN COc1ccccc1CN[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012593215 570752569 /nfs/dbraw/zinc/75/25/69/570752569.db2.gz ONLAKLBOHLFOBT-OAQYLSRUSA-N 0 1 361.489 4.665 50 0 FJAAMN COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccccc3C)ccc2c1 ZINC000012992656 570771251 /nfs/dbraw/zinc/77/12/51/570771251.db2.gz OMWCBVVMQGPNTL-QGZVFWFLSA-N 0 1 362.473 4.616 50 0 FJAAMN Cc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)Cc1ccccc1 ZINC000008714166 570796501 /nfs/dbraw/zinc/79/65/01/570796501.db2.gz ZWQNWZNRNIVMTD-UHFFFAOYSA-N 0 1 371.278 4.643 50 0 FJAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cn[nH]c1-c1ccccc1 ZINC000032856028 570822153 /nfs/dbraw/zinc/82/21/53/570822153.db2.gz QDACNQCPNLAPFF-UHFFFAOYSA-N 0 1 369.424 4.908 50 0 FJAAMN CCCn1ncc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c1C ZINC000014972970 570827249 /nfs/dbraw/zinc/82/72/49/570827249.db2.gz NGCKLWRBBJFDMQ-KRWDZBQOSA-N 0 1 373.928 4.658 50 0 FJAAMN C/C(=C/c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000004554083 570833625 /nfs/dbraw/zinc/83/36/25/570833625.db2.gz MCTAXHIAVFVFTN-KWRJMZDGSA-N 0 1 367.518 4.674 50 0 FJAAMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccccc1C(F)(F)F ZINC000015581990 570840888 /nfs/dbraw/zinc/84/08/88/570840888.db2.gz YDSCCYBDCWDIHL-UHFFFAOYSA-N 0 1 373.422 4.857 50 0 FJAAMN CCOc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000044838013 570900880 /nfs/dbraw/zinc/90/08/80/570900880.db2.gz KUBDLCMYJAQMMQ-UHFFFAOYSA-N 0 1 357.413 4.881 50 0 FJAAMN c1ccc(-c2ccc(-c3n[nH]c4c3CN([C@@H]3CCSC3)CC4)cc2)cc1 ZINC000019782048 570902837 /nfs/dbraw/zinc/90/28/37/570902837.db2.gz UPFVSNIYMCQBOE-LJQANCHMSA-N 0 1 361.514 4.607 50 0 FJAAMN CC[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 ZINC000022619739 570947583 /nfs/dbraw/zinc/94/75/83/570947583.db2.gz VPRVWFIOXRTXLG-NQIIRXRSSA-N 0 1 370.924 4.787 50 0 FJAAMN COc1ccccc1-c1cc(CSc2nc3ccc(C)cc3[nH]2)on1 ZINC000026243143 571003972 /nfs/dbraw/zinc/00/39/72/571003972.db2.gz YUTLKQZUIRTFNJ-UHFFFAOYSA-N 0 1 351.431 4.827 50 0 FJAAMN Clc1ccccc1OCCCn1c2ccccc2nc1CN1CCCC1 ZINC000027789166 571021094 /nfs/dbraw/zinc/02/10/94/571021094.db2.gz PUXKIMQXEXLZEN-UHFFFAOYSA-N 0 1 369.896 4.755 50 0 FJAAMN Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000028869860 571035098 /nfs/dbraw/zinc/03/50/98/571035098.db2.gz OVXBRPKFSPTBLG-GFCCVEGCSA-N 0 1 372.881 4.553 50 0 FJAAMN O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000031560522 571054861 /nfs/dbraw/zinc/05/48/61/571054861.db2.gz BATDJYIYGYYDHD-DEOSSOPVSA-N 0 1 370.496 4.823 50 0 FJAAMN O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008862548 571063640 /nfs/dbraw/zinc/06/36/40/571063640.db2.gz URINTBWRYSKEDR-MRXNPFEDSA-N 0 1 369.317 4.622 50 0 FJAAMN FC(F)(F)c1ccc2nc(SCc3nc(-c4ccco4)no3)[nH]c2c1 ZINC000040134550 571083629 /nfs/dbraw/zinc/08/36/29/571083629.db2.gz YYQJFCCNHBYWNJ-UHFFFAOYSA-N 0 1 366.324 4.517 50 0 FJAAMN Fc1ccc(COc2ccc(CNCc3ccccn3)cc2)c(Cl)c1 ZINC000040722841 571093105 /nfs/dbraw/zinc/09/31/05/571093105.db2.gz GWLDHZURVIGTDD-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN Cc1cccc(COc2ccccc2CNCc2ccc3c(c2)OCO3)c1 ZINC000040731423 571093932 /nfs/dbraw/zinc/09/39/32/571093932.db2.gz FEMIPMNIPOETAP-UHFFFAOYSA-N 0 1 361.441 4.593 50 0 FJAAMN Fc1cccc(Cl)c1COc1ccccc1CNCc1ccncc1 ZINC000040732284 571094530 /nfs/dbraw/zinc/09/45/30/571094530.db2.gz JRTMOLMVTCEAPR-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN Fc1ccc(COc2cccc(CNCc3ccccn3)c2)c(Cl)c1 ZINC000040738625 571095325 /nfs/dbraw/zinc/09/53/25/571095325.db2.gz ZMDVTUXVVWXOCU-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000040478293 571098303 /nfs/dbraw/zinc/09/83/03/571098303.db2.gz CBPFCDUUDBTCFD-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)cc1 ZINC000044935795 571105175 /nfs/dbraw/zinc/10/51/75/571105175.db2.gz QTLBTQNDHRDJAT-JOCHJYFZSA-N 0 1 368.496 4.614 50 0 FJAAMN O=C(Nc1ccc(F)cc1)Nc1ccccc1-c1n[nH]c(-c2ccco2)n1 ZINC000072312834 571106820 /nfs/dbraw/zinc/10/68/20/571106820.db2.gz KWZNWVZDZXHFCY-UHFFFAOYSA-N 0 1 363.352 4.515 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000009514207 571111907 /nfs/dbraw/zinc/11/19/07/571111907.db2.gz QHNFFFPRJNQLQM-HNNXBMFYSA-N 0 1 366.490 4.516 50 0 FJAAMN CN(Cc1cncn1C1CCCCC1)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000244873624 571118279 /nfs/dbraw/zinc/11/82/79/571118279.db2.gz WTCCFFWJGKVLQO-UHFFFAOYSA-N 0 1 357.889 4.550 50 0 FJAAMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(-c2ccccc2)no1 ZINC000071078076 571119323 /nfs/dbraw/zinc/11/93/23/571119323.db2.gz MGXBJUZWEKBHJC-LLVKDONJSA-N 0 1 367.409 4.514 50 0 FJAAMN Cc1cccc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1C ZINC000010139643 571122905 /nfs/dbraw/zinc/12/29/05/571122905.db2.gz QXZYMGNPEYSDOK-UHFFFAOYSA-N 0 1 361.489 4.603 50 0 FJAAMN Cc1ccc(OCc2nc(CSc3nc(C(C)C)n[nH]3)cs2)cc1 ZINC000010214096 571123540 /nfs/dbraw/zinc/12/35/40/571123540.db2.gz KJYQGGCGFGCHMB-UHFFFAOYSA-N 0 1 360.508 4.564 50 0 FJAAMN Cc1ccc(OCc2nc(CSc3n[nH]c(C(C)C)n3)cs2)cc1 ZINC000010214096 571123542 /nfs/dbraw/zinc/12/35/42/571123542.db2.gz KJYQGGCGFGCHMB-UHFFFAOYSA-N 0 1 360.508 4.564 50 0 FJAAMN CCOc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000058167031 571126775 /nfs/dbraw/zinc/12/67/75/571126775.db2.gz DBEJZLUDGBFZMF-UHFFFAOYSA-N 0 1 371.864 4.786 50 0 FJAAMN Cc1ccc2c(CSc3nc4ccc(Cl)cc4[nH]3)cc(=O)oc2c1 ZINC000006161001 571138866 /nfs/dbraw/zinc/13/88/66/571138866.db2.gz YFGQBZNAEAQRKG-UHFFFAOYSA-N 0 1 356.834 4.923 50 0 FJAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OCC)cc3)c2c1 ZINC000000952829 571140337 /nfs/dbraw/zinc/14/03/37/571140337.db2.gz NXXDUUXHMDLGPK-UHFFFAOYSA-N 0 1 350.418 4.862 50 0 FJAAMN CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccsc1 ZINC000025330594 571143475 /nfs/dbraw/zinc/14/34/75/571143475.db2.gz GEXAWVDCIDANSE-INIZCTEOSA-N 0 1 374.506 4.648 50 0 FJAAMN Cc1nc(CN2CC[C@H](Nc3ccccc3)C2)oc1-c1ccc(Cl)cc1 ZINC000075109103 571155772 /nfs/dbraw/zinc/15/57/72/571155772.db2.gz LFYAKGRXZYAGFD-IBGZPJMESA-N 0 1 367.880 4.990 50 0 FJAAMN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1Cl ZINC000006328156 571180665 /nfs/dbraw/zinc/18/06/65/571180665.db2.gz AETWPIQPEVNFBB-UHFFFAOYSA-N 0 1 370.179 4.813 50 0 FJAAMN COc1cccc([C@@H](C)NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c1 ZINC000075478779 571188880 /nfs/dbraw/zinc/18/88/80/571188880.db2.gz WMLSLEKTDFMPIZ-OAHLLOKOSA-N 0 1 365.477 4.505 50 0 FJAAMN CCn1c(-c2cc(NC(=O)CC3CCCCC3)[nH]n2)cc2ccccc21 ZINC000075558632 571200755 /nfs/dbraw/zinc/20/07/55/571200755.db2.gz SLJGPKXXUPBYJU-UHFFFAOYSA-N 0 1 350.466 4.960 50 0 FJAAMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@H]1COc2ccccc21 ZINC000089517379 571206795 /nfs/dbraw/zinc/20/67/95/571206795.db2.gz OYTOMXNSICLWAG-KDOFPFPSSA-N 0 1 350.487 4.827 50 0 FJAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc4cccc(C)c4o3)[nH]c2c1 ZINC000077438441 571211613 /nfs/dbraw/zinc/21/16/13/571211613.db2.gz CAWQQJWHUZLWFW-GOSISDBHSA-N 0 1 359.429 4.903 50 0 FJAAMN CCn1c2ccccc2c2cc(CN3CCN(c4ccccn4)CC3)ccc21 ZINC000022591807 571217191 /nfs/dbraw/zinc/21/71/91/571217191.db2.gz IGBSUBJLAWCVTB-UHFFFAOYSA-N 0 1 370.500 4.532 50 0 FJAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3conc3-c3ccccc3)[nH]c2c1 ZINC000082109452 571228594 /nfs/dbraw/zinc/22/85/94/571228594.db2.gz HGIMJVMUHWGTSF-IBGZPJMESA-N 0 1 372.428 4.504 50 0 FJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1CCCCCCC1 ZINC000006619485 571237263 /nfs/dbraw/zinc/23/72/63/571237263.db2.gz ATPFYFQZRSPMIH-UHFFFAOYSA-N 0 1 351.903 4.538 50 0 FJAAMN Cc1cccc2nc([C@H]3CCCN(C(=O)c4ccc5occc5c4)C3)[nH]c21 ZINC000091646074 571241796 /nfs/dbraw/zinc/24/17/96/571241796.db2.gz PQGSTRQYRPZGEF-KRWDZBQOSA-N 0 1 359.429 4.637 50 0 FJAAMN COc1cc(OC)cc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)c1 ZINC000036347429 571248588 /nfs/dbraw/zinc/24/85/88/571248588.db2.gz XHTBCMJGFPRNSC-QHCPKHFHSA-N 0 1 362.473 4.501 50 0 FJAAMN COc1cc(OC)cc([C@H]2c3cccn3CCCN2Cc2ccccc2)c1 ZINC000036347429 571248590 /nfs/dbraw/zinc/24/85/90/571248590.db2.gz XHTBCMJGFPRNSC-QHCPKHFHSA-N 0 1 362.473 4.501 50 0 FJAAMN CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCCCCC1 ZINC000007378058 571264502 /nfs/dbraw/zinc/26/45/02/571264502.db2.gz YVQBIZCBGWTVKB-OAQYLSRUSA-N 0 1 352.478 4.641 50 0 FJAAMN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000014256060 571271918 /nfs/dbraw/zinc/27/19/18/571271918.db2.gz WDZDIPWUVSQBAZ-UHFFFAOYSA-N 0 1 357.397 4.804 50 0 FJAAMN CCN(CC)[C@H](C(=O)Nc1cc(-c2ncco2)ccc1C)c1ccccc1 ZINC000089618397 571272335 /nfs/dbraw/zinc/27/23/35/571272335.db2.gz VJGFXQRALWZXHX-FQEVSTJZSA-N 0 1 363.461 4.672 50 0 FJAAMN C[C@@H](NC(=O)CN(C)[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000007583322 571277739 /nfs/dbraw/zinc/27/77/39/571277739.db2.gz IEZHWEMEHSASTR-OXQOHEQNSA-N 0 1 362.473 4.619 50 0 FJAAMN CCCCN(CCCC)CN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000027471674 571293666 /nfs/dbraw/zinc/29/36/66/571293666.db2.gz PTNNNLIZEIVGIZ-LGMDPLHJSA-N 0 1 364.486 4.722 50 0 FJAAMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000095422095 571329492 /nfs/dbraw/zinc/32/94/92/571329492.db2.gz PTHJUCNHWFUTHB-JZXOWHBKSA-N 0 1 357.567 4.927 50 0 FJAAMN FC(F)(F)c1cccc(CNCc2c(C3CC3)nc3sccn23)c1 ZINC000095428440 571329531 /nfs/dbraw/zinc/32/95/31/571329531.db2.gz IJWHQGQUGJKRCE-UHFFFAOYSA-N 0 1 351.397 4.582 50 0 FJAAMN C[C@H](c1ccccn1)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000095456010 571329991 /nfs/dbraw/zinc/32/99/91/571329991.db2.gz NXFLSYVFVRKBOW-GOSISDBHSA-N 0 1 369.468 4.687 50 0 FJAAMN Cc1cc(CN[C@@H](C)c2nnc[nH]2)cc(C)c1OCc1ccccc1Cl ZINC000095467782 571330575 /nfs/dbraw/zinc/33/05/75/571330575.db2.gz WNQJKUGHWIOGSZ-HNNXBMFYSA-N 0 1 370.884 4.505 50 0 FJAAMN CCn1c(-c2cc(NC(=O)c3ccc(C)cc3)[nH]n2)cc2c1cccc2OC ZINC000096400302 571335691 /nfs/dbraw/zinc/33/56/91/571335691.db2.gz FHESZKUZUWHIQF-UHFFFAOYSA-N 0 1 374.444 4.621 50 0 FJAAMN CSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501009 571337552 /nfs/dbraw/zinc/33/75/52/571337552.db2.gz IKQVAWAYEBGDCK-NQIIRXRSSA-N 0 1 368.502 4.602 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3C)[nH]n2)cc1 ZINC000057477058 571343537 /nfs/dbraw/zinc/34/35/37/571343537.db2.gz BXMULVSUPNROMQ-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN CCC(=O)Nc1ccc([C@H](C)NCc2ccccc2Br)cc1 ZINC000030640447 571347152 /nfs/dbraw/zinc/34/71/52/571347152.db2.gz LXOXERHWHOUPEK-ZDUSSCGKSA-N 0 1 361.283 4.648 50 0 FJAAMN COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCCC2)cc1 ZINC000008136142 571359437 /nfs/dbraw/zinc/35/94/37/571359437.db2.gz AYKHSRDKTSPVIR-QGZVFWFLSA-N 0 1 367.493 4.515 50 0 FJAAMN O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1 ZINC000007055923 219789651 /nfs/dbraw/zinc/78/96/51/219789651.db2.gz JNTOXZZRFKKQRM-UHFFFAOYSA-N 0 1 366.467 4.764 50 0 FJAAMN Cc1ccc(NS(=O)(=O)c2cccnc2Nc2cc(C)cc(C)c2)cc1 ZINC000064757501 212043176 /nfs/dbraw/zinc/04/31/76/212043176.db2.gz YWONNSAYYNZDQX-UHFFFAOYSA-N 0 1 367.474 4.551 50 0 FJAAMN COc1cc2c(cc1NC(=O)[C@@H](C)NCc1ccccc1)oc1ccccc12 ZINC000059925008 212018837 /nfs/dbraw/zinc/01/88/37/212018837.db2.gz KGCACXSWZYRARR-OAHLLOKOSA-N 0 1 374.440 4.711 50 0 FJAAMN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000002853826 204062443 /nfs/dbraw/zinc/06/24/43/204062443.db2.gz AJBZWBHFNLOZAN-UHFFFAOYSA-N 0 1 370.179 4.813 50 0 FJAAMN COc1cc2c(cc1NC(=O)[C@H](C)N1CCCCCC1)oc1ccccc12 ZINC000003345477 204093264 /nfs/dbraw/zinc/09/32/64/204093264.db2.gz XAERRZVTCOBAHM-HNNXBMFYSA-N 0 1 366.461 4.798 50 0 FJAAMN CCc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1 ZINC000004555327 204147409 /nfs/dbraw/zinc/14/74/09/204147409.db2.gz QJJAKYLKEIFYTC-SFHVURJKSA-N 0 1 355.507 4.506 50 0 FJAAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Br)c1 ZINC000004678526 204153639 /nfs/dbraw/zinc/15/36/39/204153639.db2.gz VLZBRDFLPBTUBE-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN Cn1c(-c2ccccc2)cnc1NCc1c(F)cccc1Br ZINC000004678431 204154471 /nfs/dbraw/zinc/15/44/71/204154471.db2.gz MTFISNLUJVBEAL-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)c(O)c1C ZINC000005343430 204204480 /nfs/dbraw/zinc/20/44/80/204204480.db2.gz MNEALSCOOIGMQU-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCCCC1 ZINC000005450638 204209682 /nfs/dbraw/zinc/20/96/82/204209682.db2.gz FRNPSEGBBXQWFB-GOSISDBHSA-N 0 1 362.395 4.871 50 0 FJAAMN CCCCOc1ccc(-c2n[nH]c(SCc3ccc(OC)cc3)n2)cc1 ZINC000006359664 204245977 /nfs/dbraw/zinc/24/59/77/204245977.db2.gz CCSYFCGDHJLMMZ-UHFFFAOYSA-N 0 1 369.490 4.952 50 0 FJAAMN Cc1ccc(-c2n[nH]c(SCc3cc(-c4cccs4)on3)n2)cc1 ZINC000007729845 204303910 /nfs/dbraw/zinc/30/39/10/204303910.db2.gz QIQZUWRHMNUFLJ-UHFFFAOYSA-N 0 1 354.460 4.789 50 0 FJAAMN COc1ccc(F)cc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000008202017 204321842 /nfs/dbraw/zinc/32/18/42/204321842.db2.gz LQVSOFWAAWMKDJ-UHFFFAOYSA-N 0 1 356.466 4.824 50 0 FJAAMN CN(C)[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccsc1 ZINC000025330532 204835340 /nfs/dbraw/zinc/83/53/40/204835340.db2.gz PKEXPNSMVQZYLL-MRXNPFEDSA-N 0 1 374.893 4.694 50 0 FJAAMN CCOc1cc(CNCc2cccnc2)ccc1OCc1cccc(C)c1 ZINC000040736477 205079208 /nfs/dbraw/zinc/07/92/08/205079208.db2.gz PJHBBNXZGVBZBY-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN CC(C)c1cc(=O)[n-]c(-c2ccccc2C[N@H+](C)C2CCCCCC2)n1 ZINC000048373870 205162713 /nfs/dbraw/zinc/16/27/13/205162713.db2.gz LSQKLWSAHAMXLS-UHFFFAOYSA-N 0 1 353.510 4.715 50 0 FJAAMN CC(C)c1cc(=O)[n-]c(-c2ccccc2C[N@@H+](C)C2CCCCCC2)n1 ZINC000048373870 205162719 /nfs/dbraw/zinc/16/27/19/205162719.db2.gz LSQKLWSAHAMXLS-UHFFFAOYSA-N 0 1 353.510 4.715 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)cc1 ZINC000051315507 205181288 /nfs/dbraw/zinc/18/12/88/205181288.db2.gz YOVQXLXPCJVGLX-UHFFFAOYSA-N 0 1 355.825 4.690 50 0 FJAAMN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412111 205239239 /nfs/dbraw/zinc/23/92/39/205239239.db2.gz RCYIDOIYBDDOBB-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN CCC[NH+](CCC)Cc1nc2c(c(=O)[n-]1)C(CC)(CC)Cc1ccccc1-2 ZINC000055556785 205220682 /nfs/dbraw/zinc/22/06/82/205220682.db2.gz DNAJWEKWKGBMSY-UHFFFAOYSA-N 0 1 367.537 4.673 50 0 FJAAMN C[C@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1 ZINC000058160731 205252757 /nfs/dbraw/zinc/25/27/57/205252757.db2.gz ITUAROCNGBXLDZ-JTQLQIEISA-N 0 1 374.765 4.787 50 0 FJAAMN CCOc1ccc([C@@H]2CCCN2CC(=O)N(CC)c2ccccc2C)cc1 ZINC000058029517 205247886 /nfs/dbraw/zinc/24/78/86/205247886.db2.gz VOPCRLRZMJNYFB-QFIPXVFZSA-N 0 1 366.505 4.584 50 0 FJAAMN Cc1nc(CN2CC[C@@H](c3ccnc(-c4cccc5cccnc54)c3)C2)co1 ZINC000065526326 205357229 /nfs/dbraw/zinc/35/72/29/205357229.db2.gz MJFNTSZUSYCONV-LJQANCHMSA-N 0 1 370.456 4.583 50 0 FJAAMN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C ZINC000065322294 205336358 /nfs/dbraw/zinc/33/63/58/205336358.db2.gz RRCPERKKUDWILC-UHFFFAOYSA-N 0 1 356.514 4.588 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1Cc1ccc(F)c(F)c1F ZINC000067673328 205380436 /nfs/dbraw/zinc/38/04/36/205380436.db2.gz QUXNPFJUZIMCSW-UHFFFAOYSA-N 0 1 368.362 4.714 50 0 FJAAMN COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(C)cc3)ccc2c1 ZINC000015544859 220156213 /nfs/dbraw/zinc/15/62/13/220156213.db2.gz XSPFFITYVZEAKO-KRWDZBQOSA-N 0 1 362.473 4.616 50 0 FJAAMN COc1ccc(C(=O)Nc2c(C(C)C)n[nH]c2-c2ccc(F)cc2)cc1 ZINC000040426683 211745641 /nfs/dbraw/zinc/74/56/41/211745641.db2.gz VTQWPQBIAKTNJQ-UHFFFAOYSA-N 0 1 353.397 4.600 50 0 FJAAMN COc1ccc2nc(SCc3cc(=O)oc4cc(C)c(C)cc34)[nH]c2c1 ZINC000004484694 206178334 /nfs/dbraw/zinc/17/83/34/206178334.db2.gz VMRBGUBJXZFJBK-UHFFFAOYSA-N 0 1 366.442 4.587 50 0 FJAAMN Cc1cc(O)c(C2=Nc3ccccc3N[C@H](/C=C/c3ccccc3)C2)c(=O)o1 ZINC000036619601 211671718 /nfs/dbraw/zinc/67/17/18/211671718.db2.gz REPFMDKXWWMXTP-FMQWLBJXSA-N 0 1 372.424 4.672 50 0 FJAAMN COc1ccccc1-c1ncc(CN2CCC[C@H]2c2c(C)noc2C)s1 ZINC000215404919 206345721 /nfs/dbraw/zinc/34/57/21/206345721.db2.gz DRNMNUYQESXAAA-KRWDZBQOSA-N 0 1 369.490 4.761 50 0 FJAAMN CC(C)[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529539 206385498 /nfs/dbraw/zinc/38/54/98/206385498.db2.gz LKOPIZBVRYUGLP-WOJBJXKFSA-N 0 1 356.897 4.647 50 0 FJAAMN C[C@H](N[C@@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508761 206385831 /nfs/dbraw/zinc/38/58/31/206385831.db2.gz AAHVOFVHUPKGGC-IFXJQAMLSA-N 0 1 354.450 4.593 50 0 FJAAMN OCC1(CCCc2ccccc2)CCN(Cc2cc(F)ccc2F)CC1 ZINC000012111987 211397815 /nfs/dbraw/zinc/39/78/15/211397815.db2.gz JXWRZNOWCILLQQ-UHFFFAOYSA-N 0 1 359.460 4.562 50 0 FJAAMN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(OCC(C)C)c(OC)c1 ZINC000021720880 211322812 /nfs/dbraw/zinc/32/28/12/211322812.db2.gz NHGOTYGJZLQFAF-SFHVURJKSA-N 0 1 372.509 4.926 50 0 FJAAMN Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1cc2ccccc2o1 ZINC000020995759 211301233 /nfs/dbraw/zinc/30/12/33/211301233.db2.gz ARIBKSYBEYREGI-IBGZPJMESA-N 0 1 361.420 4.925 50 0 FJAAMN c1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019359470 211218164 /nfs/dbraw/zinc/21/81/64/211218164.db2.gz YETFRKTWSJIWAJ-UHFFFAOYSA-N 0 1 358.485 4.797 50 0 FJAAMN c1ccc(COc2cccc(CN3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000019359750 211217863 /nfs/dbraw/zinc/21/78/63/211217863.db2.gz ATUHDMGCCUFYSF-UHFFFAOYSA-N 0 1 372.512 4.583 50 0 FJAAMN CC(=O)Nc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1 ZINC000016321515 211159632 /nfs/dbraw/zinc/15/96/32/211159632.db2.gz CGXUJPWHPKMLRJ-UHFFFAOYSA-N 0 1 369.837 4.595 50 0 FJAAMN Fc1ccc(C=Cc2n[nH]c(SCc3cccc4cccnc43)n2)cc1 ZINC000014898066 211104753 /nfs/dbraw/zinc/10/47/53/211104753.db2.gz CNIWKDSVCCYGSP-DHZHZOJOSA-N 0 1 362.433 4.955 50 0 FJAAMN Cc1cc(C)c(NC(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000014021431 211069336 /nfs/dbraw/zinc/06/93/36/211069336.db2.gz RMZYARUOUDSNDI-UHFFFAOYSA-N 0 1 354.538 4.699 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000013204244 211028348 /nfs/dbraw/zinc/02/83/48/211028348.db2.gz XJSMFZDCPUZHSP-UHFFFAOYSA-N 0 1 366.273 4.909 50 0 FJAAMN Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000012979069 211013098 /nfs/dbraw/zinc/01/30/98/211013098.db2.gz ZRBYBXULQLSGRI-LJQANCHMSA-N 0 1 357.885 4.607 50 0 FJAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C)cc1 ZINC000012945871 211011926 /nfs/dbraw/zinc/01/19/26/211011926.db2.gz JMYKDUWRMRQCPI-OAQYLSRUSA-N 0 1 352.478 4.559 50 0 FJAAMN COc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc32)c(OC)c1 ZINC000001158117 210327389 /nfs/dbraw/zinc/32/73/89/210327389.db2.gz HREUTPRPZCQTHO-UHFFFAOYSA-N 0 1 373.412 4.763 50 0 FJAAMN O=S(=O)(Nc1cnc2ccccc2c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001140873 210323814 /nfs/dbraw/zinc/32/38/14/210323814.db2.gz CZNOCTZEVKFFKA-UHFFFAOYSA-N 0 1 372.449 4.607 50 0 FJAAMN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000854671 210281084 /nfs/dbraw/zinc/28/10/84/210281084.db2.gz UWTXTJWEYKRBSW-UHFFFAOYSA-N 0 1 354.617 4.587 50 0 FJAAMN C[C@@H](c1ccncc1)N(C)Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000065499195 221226566 /nfs/dbraw/zinc/22/65/66/221226566.db2.gz NSTAJWJTVZYFLR-INIZCTEOSA-N 0 1 363.436 4.666 50 0 FJAAMN Cc1nc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)co1 ZINC000071439982 221349297 /nfs/dbraw/zinc/34/92/97/221349297.db2.gz TZFQPTDWSHHMNU-OAHLLOKOSA-N 0 1 352.400 4.847 50 0 FJAAMN Cc1ccc(C[C@H]2CCCN(Cc3nnc(-c4ccc(F)cc4)o3)C2)cc1 ZINC000071847851 221382835 /nfs/dbraw/zinc/38/28/35/221382835.db2.gz XAVCBQWBHOMMCT-GOSISDBHSA-N 0 1 365.452 4.639 50 0 FJAAMN COc1cccc(CNCc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000048278587 136123195 /nfs/dbraw/zinc/12/31/95/136123195.db2.gz DEGZSAOIYPTXDU-UHFFFAOYSA-N 0 1 361.489 4.524 50 0 FJAAMN COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000055543759 136126927 /nfs/dbraw/zinc/12/69/27/136126927.db2.gz QVXLULHKBWUYJT-UHFFFAOYSA-N 0 1 358.485 4.684 50 0 FJAAMN CC(C)c1nc2ccc(CCC(=O)NCc3ccc(F)c(Cl)c3)cc2[nH]1 ZINC000096332889 222115718 /nfs/dbraw/zinc/11/57/18/222115718.db2.gz XUYZJCHIJXAMKR-UHFFFAOYSA-N 0 1 373.859 4.728 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(SCCCC(=O)c3ccc(F)cc3)n2)o1 ZINC000096941492 222145212 /nfs/dbraw/zinc/14/52/12/222145212.db2.gz REIWODWWLDJWTK-KHPPLWFESA-N 0 1 371.437 4.771 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)c3cc(C)c(C)cc3C)n2)o1 ZINC000097015475 222151155 /nfs/dbraw/zinc/15/11/55/222151155.db2.gz CQPRWBRLWSRQOR-FPLPWBNLSA-N 0 1 367.474 4.777 50 0 FJAAMN CCn1c2ccccc2nc1[C@H](C)NCc1ccn(Cc2ccccc2)c1 ZINC000097022818 222151686 /nfs/dbraw/zinc/15/16/86/222151686.db2.gz ULZJXKOMINKBIE-SFHVURJKSA-N 0 1 358.489 4.757 50 0 FJAAMN CCSc1nc2n(n1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102579274 222299165 /nfs/dbraw/zinc/29/91/65/222299165.db2.gz QFYRTWGHSWGXDZ-AWEZNQCLSA-N 0 1 360.508 4.759 50 0 FJAAMN CCCCN(Cc1ccc(C)s1)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000091663760 520544176 /nfs/dbraw/zinc/54/41/76/520544176.db2.gz HXHYHMIXDRVKAW-UHFFFAOYSA-N 0 1 369.490 4.595 50 0 FJAAMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H]1c1cccn1C ZINC000241774168 524274581 /nfs/dbraw/zinc/27/45/81/524274581.db2.gz RNQJFOKUSFRFHP-MBSDFSHPSA-N 0 1 373.500 4.856 50 0 FJAAMN C[C@H](NC(=O)CN(C)[C@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000239310132 524947422 /nfs/dbraw/zinc/94/74/22/524947422.db2.gz IEZHWEMEHSASTR-JXFKEZNVSA-N 0 1 362.473 4.619 50 0 FJAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1 ZINC000001226907 560180454 /nfs/dbraw/zinc/18/04/54/560180454.db2.gz XKFNOBGOFBCSSQ-UHFFFAOYSA-N 0 1 364.426 4.604 50 0 in-vitro FJAAMN Clc1ccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000008193487 568274589 /nfs/dbraw/zinc/27/45/89/568274589.db2.gz PXNNRXHEGJCANG-UHFFFAOYSA-N 0 1 367.880 4.845 50 0 FJAAMN Cc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)[nH]n2)c1O ZINC000032593701 568396910 /nfs/dbraw/zinc/39/69/10/568396910.db2.gz JZIAKESYFPZIKZ-UHFFFAOYSA-N 0 1 362.216 4.650 50 0 FJAAMN Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H](c2nc3cccc(C)c3[nH]2)C1 ZINC000091849247 570440994 /nfs/dbraw/zinc/44/09/94/570440994.db2.gz DBRATPHQEGEMGE-MRXNPFEDSA-N 0 1 372.472 4.681 50 0 FJAAMN O=c1[nH]c(=S)ccn1-c1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000000752062 570454406 /nfs/dbraw/zinc/45/44/06/570454406.db2.gz YZIAGNXKPFZJIA-UHFFFAOYSA-N 0 1 363.467 4.686 50 0 FJAAMN COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000000752249 570454452 /nfs/dbraw/zinc/45/44/52/570454452.db2.gz YUOFPIFTPKDZRM-UHFFFAOYSA-N 0 1 359.469 4.929 50 0 FJAAMN C[C@@H](c1ccc(C(=O)NCCCSc2ccccc2)o1)N1CCCCC1 ZINC000097797676 570495162 /nfs/dbraw/zinc/49/51/62/570495162.db2.gz YSZXSLOHAXCPGV-KRWDZBQOSA-N 0 1 372.534 4.739 50 0 FJAAMN CCOC(=O)[C@H]1CCCN(Cc2cncc(-c3ccc4ccccc4c3)c2)C1 ZINC000034670366 570526853 /nfs/dbraw/zinc/52/68/53/570526853.db2.gz YVTFHHFQJFPNJZ-QFIPXVFZSA-N 0 1 374.484 4.677 50 0 FJAAMN O=C(Cc1cccs1)Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1 ZINC000034794339 570557625 /nfs/dbraw/zinc/55/76/25/570557625.db2.gz GDMVUBDGCOLLJL-UHFFFAOYSA-N 0 1 357.866 4.850 50 0 FJAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)Nc1ccccc1F ZINC000034796744 570559271 /nfs/dbraw/zinc/55/92/71/570559271.db2.gz FABHYCXCJVJNKV-UHFFFAOYSA-N 0 1 366.396 4.746 50 0 FJAAMN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)C1(C)C ZINC000061231174 570574148 /nfs/dbraw/zinc/57/41/48/570574148.db2.gz VSPDUSWQQZCQAU-AYOQOUSVSA-N 0 1 351.494 4.773 50 0 FJAAMN Clc1ccccc1-c1ccc(CN2CCN(c3ccccc3)CC2)o1 ZINC000004980416 570615776 /nfs/dbraw/zinc/61/57/76/570615776.db2.gz YLHNXEFEKGQGGX-UHFFFAOYSA-N 0 1 352.865 4.922 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000009357566 570694810 /nfs/dbraw/zinc/69/48/10/570694810.db2.gz QTLJJBIHTFGZEU-UHFFFAOYSA-N 0 1 365.380 4.621 50 0 FJAAMN Fc1cccc(-c2c[nH]nc2C2CCN(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000012240980 570730388 /nfs/dbraw/zinc/73/03/88/570730388.db2.gz DQVLQNPOZFOUGH-UHFFFAOYSA-N 0 1 371.406 4.874 50 0 FJAAMN CC[C@H](C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012242381 570731030 /nfs/dbraw/zinc/73/10/30/570731030.db2.gz SEEAGKFBAOHZCY-FUHWJXTLSA-N 0 1 361.489 4.982 50 0 FJAAMN COc1ccccc1CNCc1cccc(OCc2ccccc2F)c1 ZINC000013720412 570786413 /nfs/dbraw/zinc/78/64/13/570786413.db2.gz HIGIBYWKNDMSFC-UHFFFAOYSA-N 0 1 351.421 4.703 50 0 FJAAMN Fc1ccc(-c2ccc(CNCc3ccc(Cn4cccn4)cc3)o2)cc1 ZINC000032845184 570820825 /nfs/dbraw/zinc/82/08/25/570820825.db2.gz HDXUTTHPGXTSGZ-UHFFFAOYSA-N 0 1 361.420 4.620 50 0 FJAAMN COC[C@@H]1CCCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000014971866 570827384 /nfs/dbraw/zinc/82/73/84/570827384.db2.gz SQDLJSKLJASTPU-INIZCTEOSA-N 0 1 368.399 4.670 50 0 FJAAMN Cc1ccc2c(c1)CN(Cc1ccc(O)cc1)C[C@@H](c1ccsc1)O2 ZINC000014990969 570828227 /nfs/dbraw/zinc/82/82/27/570828227.db2.gz DIZGKRYZBDDZPP-NRFANRHFSA-N 0 1 351.471 4.898 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cc(F)ccc3F)C2)cc1 ZINC000015067844 570831005 /nfs/dbraw/zinc/83/10/05/570831005.db2.gz DRBXNLPWSGZYOP-HNNXBMFYSA-N 0 1 371.406 4.874 50 0 FJAAMN C[C@@H](NC(=O)CN(C)[C@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000102525140 570833744 /nfs/dbraw/zinc/83/37/44/570833744.db2.gz IEZHWEMEHSASTR-UZLBHIALSA-N 0 1 362.473 4.619 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 ZINC000004556170 570834635 /nfs/dbraw/zinc/83/46/35/570834635.db2.gz PZBAGRIDWPUUEP-LJQANCHMSA-N 0 1 363.486 4.708 50 0 FJAAMN CC1CCN([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccco2)CC1 ZINC000015860055 570846284 /nfs/dbraw/zinc/84/62/84/570846284.db2.gz MHJUMMCMHHRVBI-FQEVSTJZSA-N 0 1 368.521 4.780 50 0 FJAAMN CCOc1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000016607521 570859203 /nfs/dbraw/zinc/85/92/03/570859203.db2.gz JGLGEVXGNLQIBX-UHFFFAOYSA-N 0 1 372.896 4.589 50 0 FJAAMN COc1cccc(CNCc2cccc(OCc3ccccc3)c2)c1OC ZINC000047770800 570930564 /nfs/dbraw/zinc/93/05/64/570930564.db2.gz DEEQTNYZNYUEPD-UHFFFAOYSA-N 0 1 363.457 4.573 50 0 FJAAMN CCc1onc(C)c1[C@H]1CCCN1Cc1ccc(OCC(C)C)c(OC)c1 ZINC000021720882 570934109 /nfs/dbraw/zinc/93/41/09/570934109.db2.gz NHGOTYGJZLQFAF-GOSISDBHSA-N 0 1 372.509 4.926 50 0 FJAAMN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000024964971 570987000 /nfs/dbraw/zinc/98/70/00/570987000.db2.gz ABIJCJZYEACQOA-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN COc1ccc2nc(S[C@@H](C)c3nc(-c4cccs4)no3)[nH]c2c1 ZINC000026008258 571002057 /nfs/dbraw/zinc/00/20/57/571002057.db2.gz MNFCYRZCZZBXBX-VIFPVBQESA-N 0 1 358.448 4.536 50 0 FJAAMN CC(=O)N1C(=O)NC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000026458841 571005679 /nfs/dbraw/zinc/00/56/79/571005679.db2.gz DRYLQJTXKDYGDU-NTUHNPAUSA-N 0 1 365.172 4.533 50 0 FJAAMN Clc1ccccc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222626 571011069 /nfs/dbraw/zinc/01/10/69/571011069.db2.gz QWAXLQCDONGIRF-HXUWFJFHSA-N 0 1 351.881 4.752 50 0 FJAAMN CCOc1cc2c(cc1CNCc1ccc(C(F)(F)F)cc1)O[C@H](C)C2 ZINC000008402986 571045551 /nfs/dbraw/zinc/04/55/51/571045551.db2.gz QKINWPVWWBGEGI-CYBMUJFWSA-N 0 1 365.395 4.717 50 0 FJAAMN Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000008425038 571046400 /nfs/dbraw/zinc/04/64/00/571046400.db2.gz SNJXLJAMOLRAAA-UHFFFAOYSA-N 0 1 355.850 4.981 50 0 FJAAMN COc1ccc(CN(C2CC2)C2CCCCC2)c(Br)c1OC ZINC000083937297 571060947 /nfs/dbraw/zinc/06/09/47/571060947.db2.gz NVTRGMNOALUOIB-UHFFFAOYSA-N 0 1 368.315 4.763 50 0 FJAAMN Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@H](Nc2ccccc2)C1 ZINC000084017126 571066803 /nfs/dbraw/zinc/06/68/03/571066803.db2.gz YRLYYKKZKGRWGC-SFHVURJKSA-N 0 1 366.896 4.521 50 0 FJAAMN CCCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)Nc1ccccc1F ZINC000034796736 571074627 /nfs/dbraw/zinc/07/46/27/571074627.db2.gz ZTCCMSBEFXXYPG-UHFFFAOYSA-N 0 1 368.412 4.821 50 0 FJAAMN Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511281 571076796 /nfs/dbraw/zinc/07/67/96/571076796.db2.gz VGPKCJZCKKPHDO-LJQANCHMSA-N 0 1 350.466 4.834 50 0 FJAAMN CCOc1cc(CNCc2ccccc2OC)cc(Cl)c1OC(C)C ZINC000040729302 571093968 /nfs/dbraw/zinc/09/39/68/571093968.db2.gz FMZJDKHXIDERAI-UHFFFAOYSA-N 0 1 363.885 4.824 50 0 FJAAMN COc1ccc(CNCc2cc(Br)ccc2OC(C)C)cc1 ZINC000040730219 571094075 /nfs/dbraw/zinc/09/40/75/571094075.db2.gz KNBXYUJXBQFPDE-UHFFFAOYSA-N 0 1 364.283 4.535 50 0 FJAAMN CCOc1cc(CNCc2ccco2)ccc1OCc1ccccc1C ZINC000040736773 571094708 /nfs/dbraw/zinc/09/47/08/571094708.db2.gz JUADGSKQZGFNBP-UHFFFAOYSA-N 0 1 351.446 4.856 50 0 FJAAMN O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040478352 571098121 /nfs/dbraw/zinc/09/81/21/571098121.db2.gz LSUGQSSRCMLBBB-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934146 571105300 /nfs/dbraw/zinc/10/53/00/571105300.db2.gz NJQXBZMZRZQGKZ-HNNXBMFYSA-N 0 1 374.887 4.569 50 0 FJAAMN Fc1cccc([C@H]2CCCCCN2Cc2cc(-c3cccnc3)no2)c1 ZINC000243901458 571112704 /nfs/dbraw/zinc/11/27/04/571112704.db2.gz BBQHRJRKZQTZCG-OAQYLSRUSA-N 0 1 351.425 4.993 50 0 FJAAMN COc1ccc(CN(C)Cc2cncn2C2CCCCC2)c2cccnc12 ZINC000243915057 571112988 /nfs/dbraw/zinc/11/29/88/571112988.db2.gz BMHJOQKGMYDPDX-UHFFFAOYSA-N 0 1 364.493 4.577 50 0 FJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000009750873 571118530 /nfs/dbraw/zinc/11/85/30/571118530.db2.gz QQCXTGJUQOEDBC-HNNXBMFYSA-N 0 1 368.264 4.545 50 0 FJAAMN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CC ZINC000009942059 571121473 /nfs/dbraw/zinc/12/14/73/571121473.db2.gz BNKFMONWRFMHIW-UHFFFAOYSA-N 0 1 356.514 4.561 50 0 FJAAMN Clc1ccc(Cn2nc(CNC3CC3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000253488423 571135799 /nfs/dbraw/zinc/13/57/99/571135799.db2.gz AQFYKKLTOLUNOP-UHFFFAOYSA-N 0 1 373.287 4.552 50 0 FJAAMN CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000015862268 571138483 /nfs/dbraw/zinc/13/84/83/571138483.db2.gz UFBGPOCHFNFZFJ-UHFFFAOYSA-N 0 1 352.453 4.696 50 0 FJAAMN C[C@H](c1cccs1)N(C)Cc1cccc(C(=O)Nc2ccncc2F)c1 ZINC000067867525 571150741 /nfs/dbraw/zinc/15/07/41/571150741.db2.gz RICKMYFOEPKRGH-CQSZACIVSA-N 0 1 369.465 4.728 50 0 FJAAMN CCc1nc(C)c(-c2c(-c3ccccc3)ncn2Cc2csc(C)n2)[nH]1 ZINC000067886659 571151248 /nfs/dbraw/zinc/15/12/48/571151248.db2.gz ZGWQLJHEKAPRDF-UHFFFAOYSA-N 0 1 363.490 4.624 50 0 FJAAMN CC[NH+](CC)CCc1c(C)[nH]c(/C=C2\N=C(C)C(CCC(=O)[O-])=C2C)c1C ZINC000075272277 571159200 /nfs/dbraw/zinc/15/92/00/571159200.db2.gz WNCNTSMXTVBJNS-MOSHPQCFSA-N 0 1 371.525 4.513 50 0 FJAAMN O=S(=O)(Nc1ccc2ccccc2c1)c1ccccc1C(F)(F)F ZINC000005885551 571167647 /nfs/dbraw/zinc/16/76/47/571167647.db2.gz RPZXAUQZQYYOFY-UHFFFAOYSA-N 0 1 351.349 4.659 50 0 FJAAMN CCOc1ccc2nc(SCCCC(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000006028570 571170800 /nfs/dbraw/zinc/17/08/00/571170800.db2.gz NAZZRZAQLLULDQ-UHFFFAOYSA-N 0 1 358.438 4.856 50 0 FJAAMN Cc1ccc(OCCN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 ZINC000012980504 571183254 /nfs/dbraw/zinc/18/32/54/571183254.db2.gz MBCOQTSCKUJAAC-UHFFFAOYSA-N 0 1 371.864 4.574 50 0 FJAAMN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccccc1)CC2 ZINC000012603179 571190078 /nfs/dbraw/zinc/19/00/78/571190078.db2.gz DTMDQGQIAKLKNM-XMMPIXPASA-N 0 1 359.469 4.852 50 0 FJAAMN O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077525305 571214796 /nfs/dbraw/zinc/21/47/96/571214796.db2.gz ZNUOFJRFCNWHBS-GOSISDBHSA-N 0 1 355.438 4.645 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CC[C@H](c4ccccc4Cl)C3)n[nH]2)s1 ZINC000091563182 571240767 /nfs/dbraw/zinc/24/07/67/571240767.db2.gz ALWQPQWEGRGFEN-ZDUSSCGKSA-N 0 1 371.893 4.730 50 0 FJAAMN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2)cc1OC ZINC000036347690 571248721 /nfs/dbraw/zinc/24/87/21/571248721.db2.gz BEPFOWNUEYLBSZ-HSZRJFAPSA-N 0 1 362.473 4.501 50 0 FJAAMN Cc1cc(CN[C@H](C)c2nnc[nH]2)cc(C)c1OCc1ccccc1Cl ZINC000095467783 571330590 /nfs/dbraw/zinc/33/05/90/571330590.db2.gz WNQJKUGHWIOGSZ-OAHLLOKOSA-N 0 1 370.884 4.505 50 0 FJAAMN CC[C@H](CCc1ccc(Br)cc1)NCc1nc(C)c(C)o1 ZINC000095943576 571332428 /nfs/dbraw/zinc/33/24/28/571332428.db2.gz MGDCBWLROVENRJ-MRXNPFEDSA-N 0 1 351.288 4.555 50 0 FJAAMN Cc1ccc2nc(-c3ccccc3NC(=O)COc3ccccc3)[nH]c2c1 ZINC000021362611 571334321 /nfs/dbraw/zinc/33/43/21/571334321.db2.gz JXTDONWNWWUBTO-UHFFFAOYSA-N 0 1 357.413 4.556 50 0 FJAAMN CCn1c(-c2cc(NC(=O)c3cccc(C)c3)[nH]n2)cc2ccc(OC)cc21 ZINC000096400331 571335736 /nfs/dbraw/zinc/33/57/36/571335736.db2.gz VYUXXZHVUDOWCQ-UHFFFAOYSA-N 0 1 374.444 4.621 50 0 FJAAMN CCN(CC)CC(=O)Nc1c(C)cc(C)cc1Nc1ccc(C)cc1C ZINC000670421060 571341374 /nfs/dbraw/zinc/34/13/74/571341374.db2.gz AJNGNUZEAQOQIA-UHFFFAOYSA-N 0 1 353.510 4.944 50 0 FJAAMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000057470810 571343535 /nfs/dbraw/zinc/34/35/35/571343535.db2.gz DTCOOPGRQHHQRT-OXJNMPFZSA-N 0 1 350.487 4.763 50 0 FJAAMN O=c1c2cc(Cl)ccc2[nH]c(=S)n1CCc1ccc(Cl)cc1 ZINC000003043411 571344008 /nfs/dbraw/zinc/34/40/08/571344008.db2.gz LUYJKQJYCICKEQ-UHFFFAOYSA-N 0 1 351.258 4.609 50 0 FJAAMN Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]c1=S ZINC000000945460 219344309 /nfs/dbraw/zinc/34/43/09/219344309.db2.gz KVIVJKVSQIUYMI-UHFFFAOYSA-N 0 1 361.426 4.526 50 0 FJAAMN COc1ccc2nc(SCC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000005595684 219690385 /nfs/dbraw/zinc/69/03/85/219690385.db2.gz DUOZBTZJFDRYEY-UHFFFAOYSA-N 0 1 367.257 4.853 50 0 FJAAMN CCc1ccc(-c2nc3ccccn3c2CNCc2ccccc2F)cc1 ZINC000063666742 212033370 /nfs/dbraw/zinc/03/33/70/212033370.db2.gz QZRZTVGHOBVPFD-UHFFFAOYSA-N 0 1 359.448 4.993 50 0 FJAAMN CCCCSc1nnc(NC(=O)c2cc(-c3ccccc3C)on2)s1 ZINC000061997083 212028542 /nfs/dbraw/zinc/02/85/42/212028542.db2.gz BJCIJOXZACQCIF-UHFFFAOYSA-N 0 1 374.491 4.646 50 0 FJAAMN O=C(c1cccc(Br)c1)c1cccc(CN2CCCCC2)c1 ZINC000002515005 204042026 /nfs/dbraw/zinc/04/20/26/204042026.db2.gz LDEALBSCJXFWPB-UHFFFAOYSA-N 0 1 358.279 4.666 50 0 FJAAMN Cc1ccccc1OCCSc1nc2ccc(Br)cc2[nH]1 ZINC000002917069 204067533 /nfs/dbraw/zinc/06/75/33/204067533.db2.gz YYUVEGHINORQCS-UHFFFAOYSA-N 0 1 363.280 4.805 50 0 FJAAMN Cc1ccc(C)c(NC(=S)NN=c2[nH]cc(C(F)(F)F)cc2Cl)c1 ZINC000003310630 204089928 /nfs/dbraw/zinc/08/99/28/204089928.db2.gz JSURMJZXJCJZFE-UHFFFAOYSA-N 0 1 374.819 4.684 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000002782884 204057563 /nfs/dbraw/zinc/05/75/63/204057563.db2.gz ILRIBUIGHPWASE-UHFFFAOYSA-N 0 1 366.273 4.909 50 0 FJAAMN CCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2[C@@H]1c1ccccc1 ZINC000004629569 204151579 /nfs/dbraw/zinc/15/15/79/204151579.db2.gz YXYQSHMMJRDUIH-IBGZPJMESA-N 0 1 351.837 4.685 50 0 FJAAMN COc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000004942809 204179009 /nfs/dbraw/zinc/17/90/09/204179009.db2.gz LBOKGWVNRRPOKY-UHFFFAOYSA-N 0 1 357.837 4.810 50 0 FJAAMN Cc1ccc2nc(SCc3nc(-c4ccccc4Cl)no3)[nH]c2c1 ZINC000007676200 204302644 /nfs/dbraw/zinc/30/26/44/204302644.db2.gz OLSAKVSNZLGIDJ-UHFFFAOYSA-N 0 1 356.838 4.867 50 0 FJAAMN CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126675 204317353 /nfs/dbraw/zinc/31/73/53/204317353.db2.gz RZYLYDVIVPJXJB-QGZVFWFLSA-N 0 1 363.288 4.941 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3cccc(Cl)c3)n2)cc1 ZINC000008156812 204318663 /nfs/dbraw/zinc/31/86/63/204318663.db2.gz IDXXQAITJDWQJE-LBPRGKRZSA-N 0 1 357.866 4.797 50 0 FJAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc2ccccc2c1 ZINC000008314313 204325781 /nfs/dbraw/zinc/32/57/81/204325781.db2.gz LZECOOAYRCXTNA-UHFFFAOYSA-N 0 1 351.456 4.661 50 0 FJAAMN Oc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3)oc2c1 ZINC000008643209 204338118 /nfs/dbraw/zinc/33/81/18/204338118.db2.gz CKLHMMPNHTWWQH-FCQUAONHSA-N 0 1 353.381 4.914 50 0 FJAAMN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010225064 204391974 /nfs/dbraw/zinc/39/19/74/204391974.db2.gz KWRMJVNWVNHMHU-HNNXBMFYSA-N 0 1 365.452 4.514 50 0 FJAAMN S=c1[nH]nc(Cc2c[nH]c3ccccc23)n1-c1cccc2ncccc21 ZINC000013550294 204535407 /nfs/dbraw/zinc/53/54/07/204535407.db2.gz IJUSPULYECCPJO-UHFFFAOYSA-N 0 1 357.442 4.550 50 0 FJAAMN CC1CCN([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccco2)CC1 ZINC000015860056 204624868 /nfs/dbraw/zinc/62/48/68/204624868.db2.gz MHJUMMCMHHRVBI-HXUWFJFHSA-N 0 1 368.521 4.780 50 0 FJAAMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000032688933 204933953 /nfs/dbraw/zinc/93/39/53/204933953.db2.gz UPGLZRXJWSFDQT-HNNXBMFYSA-N 0 1 369.317 4.622 50 0 FJAAMN Cc1[nH]c(SCc2nc3ccccc3nc2C)nc1Cc1ccccc1 ZINC000036823488 205022123 /nfs/dbraw/zinc/02/21/23/205022123.db2.gz DTXCYJSJPIOQGS-UHFFFAOYSA-N 0 1 360.486 4.853 50 0 FJAAMN CCCCc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 ZINC000037385872 205026366 /nfs/dbraw/zinc/02/63/66/205026366.db2.gz NBFILQLSBYZEBA-UHFFFAOYSA-N 0 1 368.296 4.593 50 0 FJAAMN CCOc1cc(CNCc2ccncc2)ccc1OCc1ccccc1C ZINC000040736801 205078847 /nfs/dbraw/zinc/07/88/47/205078847.db2.gz PMIWZLXUNLGNKE-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412106 205239036 /nfs/dbraw/zinc/23/90/36/205239036.db2.gz QRSDRJKDKHXILA-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN C[C@H]1CCCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427729 205240266 /nfs/dbraw/zinc/24/02/66/205240266.db2.gz FMWCJPWJSCACTC-KRWDZBQOSA-N 0 1 363.461 4.548 50 0 FJAAMN CC[C@H](C)Oc1c(CNCc2cc3cc(OC)ccc3[nH]2)cccc1OC ZINC000063870066 205296267 /nfs/dbraw/zinc/29/62/67/205296267.db2.gz HTXSVLIPXAFTSS-HNNXBMFYSA-N 0 1 368.477 4.652 50 0 FJAAMN Cn1ccnc1CN1CC[C@H](c2ccnc(-c3csc4ccccc34)c2)C1 ZINC000065453057 205351739 /nfs/dbraw/zinc/35/17/39/205351739.db2.gz NVGVWCCCMQWSOQ-KRWDZBQOSA-N 0 1 374.513 4.686 50 0 FJAAMN CCOP(=O)(OCC)[C@@H](Sc1ccc(C)cc1)C(=O)N(CC)CC ZINC000001821881 206152586 /nfs/dbraw/zinc/15/25/86/206152586.db2.gz PEVCUUGIMZXVIF-KRWDZBQOSA-N 0 1 373.455 4.548 50 0 FJAAMN COc1ccc2nc(SCc3nc(-c4cccc(Cl)c4)no3)[nH]c2c1 ZINC000006931030 206205065 /nfs/dbraw/zinc/20/50/65/206205065.db2.gz USSKJFDGOGUUOY-UHFFFAOYSA-N 0 1 372.837 4.567 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)c3cc(C)ccc3C)n2)o1 ZINC000031802165 211537958 /nfs/dbraw/zinc/53/79/58/211537958.db2.gz MRBQGSINFLOLFU-FEAKQIBJSA-N 0 1 367.474 4.857 50 0 FJAAMN Cc1ccc2nc(SCC(=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000013098638 206300457 /nfs/dbraw/zinc/30/04/57/206300457.db2.gz RPIHXNWBHOCSPI-UHFFFAOYSA-N 0 1 361.264 4.609 50 0 FJAAMN COc1ccccc1[C@@H](C)NCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000014250687 206309212 /nfs/dbraw/zinc/30/92/12/206309212.db2.gz JZIILRGFTADVDO-QGZVFWFLSA-N 0 1 360.457 4.798 50 0 FJAAMN COc1ccccc1-c1ncc(CN2CCC[C@@H]2c2c(C)noc2C)s1 ZINC000215404963 206346654 /nfs/dbraw/zinc/34/66/54/206346654.db2.gz DRNMNUYQESXAAA-QGZVFWFLSA-N 0 1 369.490 4.761 50 0 FJAAMN COc1cc(C)c(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c(C)c1C ZINC000253420412 206583230 /nfs/dbraw/zinc/58/32/30/206583230.db2.gz VBKVJCZSDLXODD-UHFFFAOYSA-N 0 1 369.852 4.916 50 0 FJAAMN CCOC(=O)C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(C)cc1 ZINC000020506781 211283107 /nfs/dbraw/zinc/28/31/07/211283107.db2.gz BJFCVZITPKOYFQ-GOSISDBHSA-N 0 1 365.395 4.798 50 0 FJAAMN Cc1oc(-c2ccoc2)nc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000019143414 211203735 /nfs/dbraw/zinc/20/37/35/211203735.db2.gz DVXLAKNXUZPLEI-OAHLLOKOSA-N 0 1 363.417 4.764 50 0 FJAAMN CCN(Cc1ccc(Cl)s1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000018936062 211200772 /nfs/dbraw/zinc/20/07/72/211200772.db2.gz HJECJKVMQYTXGA-UHFFFAOYSA-N 0 1 363.866 4.544 50 0 FJAAMN Cc1sc2[nH]c([C@@H](C)N[C@@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233860 211086927 /nfs/dbraw/zinc/08/69/27/211086927.db2.gz KVZOMRKOXNTJCW-UONOGXRCSA-N 0 1 355.507 4.630 50 0 FJAAMN C[C@@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040190 211021722 /nfs/dbraw/zinc/02/17/22/211021722.db2.gz ZCGIWGLKICHLQU-HUUCEWRRSA-N 0 1 374.937 4.908 50 0 FJAAMN CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CCC ZINC000009942391 210857846 /nfs/dbraw/zinc/85/78/46/210857846.db2.gz JJSAZIHMZQWSEA-UHFFFAOYSA-N 0 1 356.514 4.561 50 0 FJAAMN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)cc1C ZINC000005343513 210616071 /nfs/dbraw/zinc/61/60/71/210616071.db2.gz LJRPBWKDNWOZRH-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000004700161 210554313 /nfs/dbraw/zinc/55/43/13/210554313.db2.gz DZVYDNXWBANDAH-UHFFFAOYSA-N 0 1 370.924 4.601 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(F)cc3)n2)c1O ZINC000002372807 210393889 /nfs/dbraw/zinc/39/38/89/210393889.db2.gz YDZARZCMJPHAPU-UHFFFAOYSA-N 0 1 362.360 4.942 50 0 FJAAMN Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2C)nc1Cc1ccccc1 ZINC000009946763 210343117 /nfs/dbraw/zinc/34/31/17/210343117.db2.gz NNJQMTWJXKFLMM-INIZCTEOSA-N 0 1 365.502 4.737 50 0 FJAAMN COc1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000022783224 220398944 /nfs/dbraw/zinc/39/89/44/220398944.db2.gz BMXFQJBJIGJRRP-LLVKDONJSA-N 0 1 370.276 4.870 50 0 FJAAMN Cc1ccccc1-c1ncc(CNCc2ccc3c(c2)OCCCO3)s1 ZINC000065397570 221212277 /nfs/dbraw/zinc/21/22/77/221212277.db2.gz AUIPNYOFMJZDTR-UHFFFAOYSA-N 0 1 366.486 4.570 50 0 FJAAMN Cc1ccc2nc(CN[C@@H](c3ccncc3)c3ccccc3C)[nH]c2c1C ZINC000067947420 221308184 /nfs/dbraw/zinc/30/81/84/221308184.db2.gz GHHSDQTYXJJEOB-QHCPKHFHSA-N 0 1 356.473 4.762 50 0 FJAAMN CCCCOc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002893743 132384355 /nfs/dbraw/zinc/38/43/55/132384355.db2.gz SSOGAYJZKRGNRQ-UHFFFAOYSA-N 0 1 358.913 4.841 50 0 FJAAMN COc1cc(OC)c(CN2CCC[C@H]3CCCC[C@H]32)cc1Br ZINC000002498643 263145518 /nfs/dbraw/zinc/14/55/18/263145518.db2.gz HTDDXJUOHOGXSM-CZUORRHYSA-N 0 1 368.315 4.621 50 0 FJAAMN CCCOc1c(Cl)cc(Cl)cc1CNCc1ccc2c(c1)OCO2 ZINC000020930181 520297030 /nfs/dbraw/zinc/29/70/30/520297030.db2.gz GMYYSRDSROIKDK-UHFFFAOYSA-N 0 1 368.260 4.801 50 0 FJAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)CCC)ccc21 ZINC000020594958 521361594 /nfs/dbraw/zinc/36/15/94/521361594.db2.gz NXHQFROHAZZKNE-UHFFFAOYSA-N 0 1 370.541 4.951 50 0 FJAAMN Cc1ccc(-c2nc(=NN=Cc3ccc([N+](=O)[O-])o3)[nH]c3ccccc32)cc1 ZINC000245264676 568050075 /nfs/dbraw/zinc/05/00/75/568050075.db2.gz DSTZDNJPNDAURZ-UHFFFAOYSA-N 0 1 373.372 4.552 50 0 FJAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc4cccc(C)c4n3C)[nH]c2c1 ZINC000095353610 570452330 /nfs/dbraw/zinc/45/23/30/570452330.db2.gz PGDDOYBNXSNTRG-IBGZPJMESA-N 0 1 372.472 4.649 50 0 FJAAMN c1ccc(C2(c3ccccc3)CCCN(Cc3nnc(C4CC4)o3)C2)cc1 ZINC000095507010 570464296 /nfs/dbraw/zinc/46/42/96/570464296.db2.gz XWQKYIHXNDROCW-UHFFFAOYSA-N 0 1 359.473 4.529 50 0 FJAAMN COc1ccc(-n2c(-c3ccc(OC(F)(F)F)cc3)n[nH]c2=S)cc1 ZINC000001047842 570476970 /nfs/dbraw/zinc/47/69/70/570476970.db2.gz GVQIHKFFXLIWGG-UHFFFAOYSA-N 0 1 367.352 4.504 50 0 FJAAMN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682617 570531645 /nfs/dbraw/zinc/53/16/45/570531645.db2.gz NLIVOYOWWTXLHR-UHFFFAOYSA-N 0 1 374.887 4.887 50 0 FJAAMN Cc1cccc(S(=O)(=O)Nc2ccc(Oc3c(C)cccc3C)nc2)c1 ZINC000034840461 570556991 /nfs/dbraw/zinc/55/69/91/570556991.db2.gz PIXIEVQESYRANI-UHFFFAOYSA-N 0 1 368.458 4.600 50 0 FJAAMN Cc1cccc(S(=O)(=O)Nc2ccc(Oc3cc(C)ccc3C)nc2)c1 ZINC000034840429 570557067 /nfs/dbraw/zinc/55/70/67/570557067.db2.gz MQUSLYIGSNOGAH-UHFFFAOYSA-N 0 1 368.458 4.600 50 0 FJAAMN CCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)Nc1ccc(F)cc1F ZINC000034796719 570559292 /nfs/dbraw/zinc/55/92/92/570559292.db2.gz PHFCGNUNGRQAKP-UHFFFAOYSA-N 0 1 372.375 4.570 50 0 FJAAMN Fc1cccc(CN2CCC(c3n[nH]cc3-c3ccccc3)CC2)c1F ZINC000011785191 570595227 /nfs/dbraw/zinc/59/52/27/570595227.db2.gz OTTNESLUTCJOPI-UHFFFAOYSA-N 0 1 353.416 4.735 50 0 FJAAMN C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 ZINC000004980297 570615696 /nfs/dbraw/zinc/61/56/96/570615696.db2.gz TXPIKTHCMKXRPK-HNNXBMFYSA-N 0 1 366.402 4.598 50 0 FJAAMN Oc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000005189988 570631065 /nfs/dbraw/zinc/63/10/65/570631065.db2.gz JEEQHUUJEKDZHQ-UHFFFAOYSA-N 0 1 354.715 4.827 50 0 FJAAMN Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003414155 570661208 /nfs/dbraw/zinc/66/12/08/570661208.db2.gz ZCPRGQQZGYLVPW-UHFFFAOYSA-N 0 1 367.751 4.607 50 0 FJAAMN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000004406918 570668101 /nfs/dbraw/zinc/66/81/01/570668101.db2.gz BSXWDFAAVGYBTA-UHFFFAOYSA-N 0 1 366.273 4.909 50 0 FJAAMN Fc1ccc(COc2ccc(Cl)cc2CNCc2ccncc2)cc1 ZINC000008418814 570681653 /nfs/dbraw/zinc/68/16/53/570681653.db2.gz WTZMDJQNZGORAG-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2F)nc1Cc1ccccc1 ZINC000008719818 570684857 /nfs/dbraw/zinc/68/48/57/570684857.db2.gz KOJZDRFYNFKSQH-AWEZNQCLSA-N 0 1 369.465 4.567 50 0 FJAAMN COc1ccc(-n2ncc([C@@H](C)NCc3ccc(Cl)s3)c2C)cc1 ZINC000011818312 570708082 /nfs/dbraw/zinc/70/80/82/570708082.db2.gz BIVFAUWOAWZPEA-GFCCVEGCSA-N 0 1 361.898 4.755 50 0 FJAAMN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ccncc2)C1 ZINC000012197985 570726747 /nfs/dbraw/zinc/72/67/47/570726747.db2.gz UOERYGBEQSEUMT-QHCPKHFHSA-N 0 1 356.469 4.844 50 0 FJAAMN O=C(Nc1cccc(F)c1)[C@@H]1CC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000012204602 570727679 /nfs/dbraw/zinc/72/76/79/570727679.db2.gz UWDDWBDYPHTKBD-IBGZPJMESA-N 0 1 372.871 4.720 50 0 FJAAMN CCOc1cccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012298966 570733237 /nfs/dbraw/zinc/73/32/37/570733237.db2.gz FKDNBFQNLZCPJY-HNNXBMFYSA-N 0 1 353.441 4.569 50 0 FJAAMN O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000012303720 570734480 /nfs/dbraw/zinc/73/44/80/570734480.db2.gz OWWATPBUIZLSBP-HNNXBMFYSA-N 0 1 353.409 4.862 50 0 FJAAMN CCCCc1ncc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)[nH]1 ZINC000012305749 570734925 /nfs/dbraw/zinc/73/49/25/570734925.db2.gz PDUUIJZKOVTBLS-INIZCTEOSA-N 0 1 359.901 4.501 50 0 FJAAMN Cc1cc(CN(C)C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)n[nH]1 ZINC000012307257 570734987 /nfs/dbraw/zinc/73/49/87/570734987.db2.gz MIFDVTAQCYDHCC-HXUWFJFHSA-N 0 1 367.880 4.552 50 0 FJAAMN CC(=O)c1cccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 ZINC000012572090 570750929 /nfs/dbraw/zinc/75/09/29/570750929.db2.gz HYOJDFKTIFXSFW-CYBMUJFWSA-N 0 1 369.415 4.512 50 0 FJAAMN CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 ZINC000013878730 570794796 /nfs/dbraw/zinc/79/47/96/570794796.db2.gz JMSPCTGDYFVMJZ-UHFFFAOYSA-N 0 1 371.531 4.750 50 0 FJAAMN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000014262373 570816905 /nfs/dbraw/zinc/81/69/05/570816905.db2.gz RZGFEZJQUDAWFJ-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000015070579 570831477 /nfs/dbraw/zinc/83/14/77/570831477.db2.gz PPEIFBWMCASMCQ-HNNXBMFYSA-N 0 1 371.406 4.874 50 0 FJAAMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC ZINC000102432424 570832223 /nfs/dbraw/zinc/83/22/23/570832223.db2.gz ISIHBRKYZWNOQJ-GVDBMIGSSA-N 0 1 354.494 4.887 50 0 FJAAMN Clc1ccc(Cc2nc(CSc3nc(C4CC4)n[nH]3)cs2)cc1 ZINC000032913786 570853325 /nfs/dbraw/zinc/85/33/25/570853325.db2.gz ADFUEEGTEGMCSZ-UHFFFAOYSA-N 0 1 362.911 4.675 50 0 FJAAMN Clc1ccc(Cc2nc(CSc3n[nH]c(C4CC4)n3)cs2)cc1 ZINC000032913786 570853329 /nfs/dbraw/zinc/85/33/29/570853329.db2.gz ADFUEEGTEGMCSZ-UHFFFAOYSA-N 0 1 362.911 4.675 50 0 FJAAMN COC(=O)c1ccc(Nc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000017123950 570869385 /nfs/dbraw/zinc/86/93/85/570869385.db2.gz SGLHVRKCTMRNBF-UHFFFAOYSA-N 0 1 371.396 4.533 50 0 FJAAMN COc1ccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)n[nH]3)n2)cc1 ZINC000046913909 570876663 /nfs/dbraw/zinc/87/66/63/570876663.db2.gz OOPNNUFQSZNHON-UHFFFAOYSA-N 0 1 360.417 4.926 50 0 FJAAMN Cc1oc(-c2ccoc2)nc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000019143419 570881256 /nfs/dbraw/zinc/88/12/56/570881256.db2.gz DVXLAKNXUZPLEI-HNNXBMFYSA-N 0 1 363.417 4.764 50 0 FJAAMN COc1ccc(CNCc2ccc(Oc3ccc(F)cc3)cc2)cc1O ZINC000048310696 570943858 /nfs/dbraw/zinc/94/38/58/570943858.db2.gz HBCRAZUPGCAQPY-UHFFFAOYSA-N 0 1 353.393 4.622 50 0 FJAAMN O=C(Nc1ccc(Cl)cc1F)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000024964962 570986929 /nfs/dbraw/zinc/98/69/29/570986929.db2.gz VDOIWNKTUMFDCR-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1F ZINC000025036245 570989114 /nfs/dbraw/zinc/98/91/14/570989114.db2.gz CYTCCVGHXNWOAT-NRFANRHFSA-N 0 1 359.404 4.530 50 0 FJAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1 ZINC000027582714 571014424 /nfs/dbraw/zinc/01/44/24/571014424.db2.gz QOUMJVCAQYQYOW-HXUWFJFHSA-N 0 1 356.897 4.687 50 0 FJAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1F ZINC000027582779 571015032 /nfs/dbraw/zinc/01/50/32/571015032.db2.gz UTVWPQLMMUSJDC-HXUWFJFHSA-N 0 1 374.887 4.826 50 0 FJAAMN Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1 ZINC000027582740 571015112 /nfs/dbraw/zinc/01/51/12/571015112.db2.gz PCNDSLWCGGMEFZ-NRFANRHFSA-N 0 1 370.924 4.996 50 0 FJAAMN CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027664251 571018188 /nfs/dbraw/zinc/01/81/88/571018188.db2.gz MSUUIDWSCUEUBI-LJQANCHMSA-N 0 1 350.934 4.810 50 0 FJAAMN O=C(Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027749285 571020454 /nfs/dbraw/zinc/02/04/54/571020454.db2.gz MLRCAEJESKGIRC-NRFANRHFSA-N 0 1 370.924 4.616 50 0 FJAAMN Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000028292914 571030916 /nfs/dbraw/zinc/03/09/16/571030916.db2.gz DKNBTAPJKNEOKV-QGZVFWFLSA-N 0 1 368.502 4.678 50 0 FJAAMN CN(CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029483802 571040382 /nfs/dbraw/zinc/04/03/82/571040382.db2.gz NWNLBXIHYPINLX-HSZRJFAPSA-N 0 1 356.469 4.911 50 0 FJAAMN CCCCc1nc2ccccc2c(NC(=O)CN2CCCC2)c1CCC ZINC000003077640 571053257 /nfs/dbraw/zinc/05/32/57/571053257.db2.gz FTJKDSUCQAIJIY-UHFFFAOYSA-N 0 1 353.510 4.564 50 0 FJAAMN Cc1ccc2nc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)[nH]c2c1 ZINC000008686417 571054916 /nfs/dbraw/zinc/05/49/16/571054916.db2.gz UUGOZJOHEGMUGL-PBHICJAKSA-N 0 1 365.502 4.546 50 0 aggregator FJAAMN COc1ccc(CN2CCCCC[C@H]2c2cccc(F)c2)c(OC)c1OC ZINC000033087135 571062136 /nfs/dbraw/zinc/06/21/36/571062136.db2.gz YWFBYBBZJDLFPV-IBGZPJMESA-N 0 1 373.468 4.969 50 0 FJAAMN Cc1oc(-c2ccco2)nc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000084052850 571067591 /nfs/dbraw/zinc/06/75/91/571067591.db2.gz ZWYIAUAFXMOWJN-UHFFFAOYSA-N 0 1 372.837 4.974 50 0 FJAAMN COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3cccc(C)c3)ccc2c1 ZINC000012751255 571075990 /nfs/dbraw/zinc/07/59/90/571075990.db2.gz GDQWSDRVTJWXKN-QGZVFWFLSA-N 0 1 362.473 4.616 50 0 FJAAMN CCc1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccc(CC)cc2)on1 ZINC000035511255 571076848 /nfs/dbraw/zinc/07/68/48/571076848.db2.gz XCTPFPLBWKEAIR-LJQANCHMSA-N 0 1 350.466 4.527 50 0 FJAAMN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C ZINC000044856370 571103132 /nfs/dbraw/zinc/10/31/32/571103132.db2.gz WPHKZJQKHTZEGG-SFHVURJKSA-N 0 1 368.496 4.532 50 0 FJAAMN Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 ZINC000044934946 571105355 /nfs/dbraw/zinc/10/53/55/571105355.db2.gz MWKLWPJOVVIWOR-SFHVURJKSA-N 0 1 368.496 4.532 50 0 FJAAMN COc1ccccc1C[C@H]1CCCN1Cc1cc(Cl)nc(Cl)c1 ZINC000070016992 571107812 /nfs/dbraw/zinc/10/78/12/571107812.db2.gz ZSIIOLCRFLSNJD-OAHLLOKOSA-N 0 1 351.277 4.604 50 0 FJAAMN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)c1 ZINC000005790396 571111702 /nfs/dbraw/zinc/11/17/02/571111702.db2.gz FNDBMZHCFCPUEH-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN Fc1cccc([C@@H]2CCCCCN2Cc2cc(-c3cccnc3)no2)c1 ZINC000243901456 571112599 /nfs/dbraw/zinc/11/25/99/571112599.db2.gz BBQHRJRKZQTZCG-NRFANRHFSA-N 0 1 351.425 4.993 50 0 FJAAMN O=C(CCCCCCCCC(O)=C1CCCCC1=O)C1=C(O)CCCC1 ZINC000025627909 571132755 /nfs/dbraw/zinc/13/27/55/571132755.db2.gz RAOXNINWQAFWNG-HDICACEKSA-N 0 1 362.510 4.764 50 0 FJAAMN COC(=O)c1ccc2nc(C)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000949567 571139834 /nfs/dbraw/zinc/13/98/34/571139834.db2.gz VMGDKYGPNCRCLR-UHFFFAOYSA-N 0 1 356.809 4.735 50 0 FJAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2C)cc1 ZINC000012945866 571153443 /nfs/dbraw/zinc/15/34/43/571153443.db2.gz JMYKDUWRMRQCPI-NRFANRHFSA-N 0 1 352.478 4.559 50 0 FJAAMN O=S(=O)(Nc1ccccc1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000068741222 571153530 /nfs/dbraw/zinc/15/35/30/571153530.db2.gz HTRKCZPMZYRJAD-UHFFFAOYSA-N 0 1 369.286 4.525 50 0 FJAAMN COCCn1c(-c2ccccc2)cnc1NCc1c(F)cccc1Cl ZINC000004679213 571158893 /nfs/dbraw/zinc/15/88/93/571158893.db2.gz ZIKAEJYHSURGMN-UHFFFAOYSA-N 0 1 359.832 4.601 50 0 FJAAMN Cc1nc2ccc(CCC(=O)Nc3ccc(Br)c(C)c3)cc2[nH]1 ZINC000033169587 571162599 /nfs/dbraw/zinc/16/25/99/571162599.db2.gz UQRYGJLGEXYNQZ-UHFFFAOYSA-N 0 1 372.266 4.514 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000005867308 571167080 /nfs/dbraw/zinc/16/70/80/571167080.db2.gz DEODKCBFHZKJFE-OAHLLOKOSA-N 0 1 351.475 4.760 50 0 FJAAMN COc1cccc([C@H](C)NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c1 ZINC000075478776 571189040 /nfs/dbraw/zinc/18/90/40/571189040.db2.gz WMLSLEKTDFMPIZ-HNNXBMFYSA-N 0 1 365.477 4.505 50 0 FJAAMN CCOc1ccc2nc(SCc3cn4cc(Cl)ccc4n3)[nH]c2c1 ZINC000006567031 571209741 /nfs/dbraw/zinc/20/97/41/571209741.db2.gz SIHDHLRBRARTEP-UHFFFAOYSA-N 0 1 358.854 4.555 50 0 FJAAMN CCN[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000006787843 571246522 /nfs/dbraw/zinc/24/65/22/571246522.db2.gz FPVUFPORQBOBEO-OAHLLOKOSA-N 0 1 356.775 4.648 50 0 FJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000007275921 571263856 /nfs/dbraw/zinc/26/38/56/571263856.db2.gz QKLMFWKDGOWBSV-CVEARBPZSA-N 0 1 357.866 4.863 50 0 FJAAMN CCOC(=O)c1sc(-c2ccc3[nH]c(-c4cccs4)nc3c2)nc1C ZINC000219036446 571309517 /nfs/dbraw/zinc/30/95/17/571309517.db2.gz RVZXOGSAZWZEIG-UHFFFAOYSA-N 0 1 369.471 4.900 50 0 FJAAMN CCOc1ccccc1-c1nnc(SCc2ccc3nc(C)[nH]c3c2)o1 ZINC000095941655 571332467 /nfs/dbraw/zinc/33/24/67/571332467.db2.gz OJYAVISOWBWRSZ-UHFFFAOYSA-N 0 1 366.446 4.612 50 0 FJAAMN Cc1cnn(C2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)c1 ZINC000095958670 571333003 /nfs/dbraw/zinc/33/30/03/571333003.db2.gz BAKCAUXRWJYOOL-UHFFFAOYSA-N 0 1 354.885 4.539 50 0 FJAAMN Cc1ccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000021174835 571333477 /nfs/dbraw/zinc/33/34/77/571333477.db2.gz ZKHPXKORSCYIQC-UHFFFAOYSA-N 0 1 371.912 4.682 50 0 FJAAMN Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)NC(C)C)o2)s1 ZINC000096280609 571335084 /nfs/dbraw/zinc/33/50/84/571335084.db2.gz WIWJVRCPSPRXSY-UHFFFAOYSA-N 0 1 362.539 4.836 50 0 FJAAMN CSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501010 571337589 /nfs/dbraw/zinc/33/75/89/571337589.db2.gz IKQVAWAYEBGDCK-WIYYLYMNSA-N 0 1 368.502 4.602 50 0 FJAAMN c1ccc(COc2ccc(-c3noc(CN4CCCCCC4)n3)cc2)cc1 ZINC000057427774 571343341 /nfs/dbraw/zinc/34/33/41/571343341.db2.gz PPVZSYSXWTZGGO-UHFFFAOYSA-N 0 1 363.461 4.692 50 0 FJAAMN O=C(CSc1n[nH]c(CC2CCCC2)n1)c1ccc2ccccc2c1 ZINC000031797716 571353720 /nfs/dbraw/zinc/35/37/20/571353720.db2.gz DRBKDWVZOUFLIN-UHFFFAOYSA-N 0 1 351.475 4.666 50 0 FJAAMN O=C(CSc1nc(CC2CCCC2)n[nH]1)c1ccc2ccccc2c1 ZINC000031797716 571353721 /nfs/dbraw/zinc/35/37/21/571353721.db2.gz DRBKDWVZOUFLIN-UHFFFAOYSA-N 0 1 351.475 4.666 50 0 FJAAMN OC(c1ccc(Cl)s1)(c1ccc(Cl)s1)[C@H]1CN2CCC1CC2 ZINC000000920374 219341677 /nfs/dbraw/zinc/34/16/77/219341677.db2.gz ZDHSJVXBNDEQSR-NSHDSACASA-N 0 1 374.358 4.694 50 0 in-vitro FJAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000001050865 219359902 /nfs/dbraw/zinc/35/99/02/219359902.db2.gz GIHBXDVRMBKURD-UHFFFAOYSA-N 0 1 369.442 4.597 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000001287779 219394061 /nfs/dbraw/zinc/39/40/61/219394061.db2.gz OXYLHTUMDNQYKO-UHFFFAOYSA-N 0 1 365.380 4.621 50 0 FJAAMN CSc1nc(=O)c2scc(-c3ccc(Br)cc3)c2[nH]1 ZINC000062591990 212030339 /nfs/dbraw/zinc/03/03/39/212030339.db2.gz KEXGZYILQQFXMJ-UHFFFAOYSA-N 0 1 353.266 4.548 50 0 FJAAMN O=C(c1ccc(Br)cc1)c1ccccc1CN1CCCCC1 ZINC000002515503 204043010 /nfs/dbraw/zinc/04/30/10/204043010.db2.gz UZBYXOOKMXMTFM-UHFFFAOYSA-N 0 1 358.279 4.666 50 0 FJAAMN Cc1ccc(NC(=S)NN=c2[nH]cc(C(F)(F)F)cc2Cl)cc1C ZINC000003310526 204090431 /nfs/dbraw/zinc/09/04/31/204090431.db2.gz UASOCMACHMMTBE-UHFFFAOYSA-N 0 1 374.819 4.684 50 0 FJAAMN COc1ccccc1CNCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000004133530 204123450 /nfs/dbraw/zinc/12/34/50/204123450.db2.gz WRJGVDKLCQBWEF-UHFFFAOYSA-N 0 1 363.457 4.573 50 0 FJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000003437410 204100970 /nfs/dbraw/zinc/10/09/70/204100970.db2.gz KYJWMEROZYEEGD-NRFANRHFSA-N 0 1 360.457 4.514 50 0 FJAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1cccc(F)c1 ZINC000004678295 204154177 /nfs/dbraw/zinc/15/41/77/204154177.db2.gz BTTWEUPITDMCCA-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN COc1cccc(CNCc2ccncc2)c1OCc1ccc(Cl)cc1 ZINC000004413566 204138712 /nfs/dbraw/zinc/13/87/12/204138712.db2.gz NRCZAPSLCDTARM-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)c1 ZINC000005342257 204203603 /nfs/dbraw/zinc/20/36/03/204203603.db2.gz DVOOTUWXKUVQGD-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000005423640 204208226 /nfs/dbraw/zinc/20/82/26/204208226.db2.gz HYWPIDHLCBKOFI-CVEARBPZSA-N 0 1 357.866 4.863 50 0 FJAAMN O=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1Cl ZINC000005126574 204192990 /nfs/dbraw/zinc/19/29/90/204192990.db2.gz WCSOIODVHOUETA-VAWYXSNFSA-N 0 1 370.861 4.706 50 0 FJAAMN COC(=O)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000005163187 204195730 /nfs/dbraw/zinc/19/57/30/204195730.db2.gz ZAHDIJGCDUIGJX-UHFFFAOYSA-N 0 1 372.380 4.581 50 0 FJAAMN Cc1nc(-c2cccc(NC(=O)C[N@H+](C)C3CCC(C)CC3)c2)cs1 ZINC000008272820 204324227 /nfs/dbraw/zinc/32/42/27/204324227.db2.gz ISYMFQQSURFSSA-UHFFFAOYSA-N 0 1 357.523 4.568 50 0 FJAAMN Cc1ccc2nc(-c3cc4cc(Br)cc(C)c4oc3=O)[nH]c2c1 ZINC000009187540 204356981 /nfs/dbraw/zinc/35/69/81/204356981.db2.gz HPJLAVBZKOFTLN-UHFFFAOYSA-N 0 1 369.218 4.716 50 0 FJAAMN COc1ccc(-n2ncc([C@H](C)NCc3ccc(Cl)c(F)c3)c2C)cc1 ZINC000012710387 220020178 /nfs/dbraw/zinc/02/01/78/220020178.db2.gz VJYFVQUSOZCRPV-ZDUSSCGKSA-N 0 1 373.859 4.833 50 0 FJAAMN Cc1ccc2nc(SCC(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000012954198 220045861 /nfs/dbraw/zinc/04/58/61/220045861.db2.gz DXSQWMNEQIKNJA-UHFFFAOYSA-N 0 1 367.293 4.670 50 0 FJAAMN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000036347920 205010228 /nfs/dbraw/zinc/01/02/28/205010228.db2.gz UXBJZGLGOORRKO-HSZRJFAPSA-N 0 1 362.473 4.501 50 0 FJAAMN COc1ccc(OC)c(CN2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000036347923 205010427 /nfs/dbraw/zinc/01/04/27/205010427.db2.gz ABDYSXXHYZOOAO-QHCPKHFHSA-N 0 1 362.473 4.501 50 0 FJAAMN COc1cccc(CNCc2ccncc2)c1OCc1cccc(Cl)c1 ZINC000040722600 205078822 /nfs/dbraw/zinc/07/88/22/205078822.db2.gz PAGGKYAGQDORHV-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN COc1cc(Br)cc(CNCc2ccccc2)c1OC(C)C ZINC000040728440 205078885 /nfs/dbraw/zinc/07/88/85/205078885.db2.gz LFNGAZMEJAZXHZ-UHFFFAOYSA-N 0 1 364.283 4.535 50 0 FJAAMN Cc1cc(-c2ccc(CNCc3ccncc3)o2)ccc1Br ZINC000040721935 205076660 /nfs/dbraw/zinc/07/66/60/205076660.db2.gz XENXNDRIKFYNGT-UHFFFAOYSA-N 0 1 357.251 4.702 50 0 FJAAMN CC(C)Oc1c(Cl)cc(Cl)cc1CNCc1ccc2c(c1)OCO2 ZINC000040729821 205078183 /nfs/dbraw/zinc/07/81/83/205078183.db2.gz HVANEWAXYMEBHE-UHFFFAOYSA-N 0 1 368.260 4.799 50 0 FJAAMN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c(C)c1 ZINC000044934943 205115682 /nfs/dbraw/zinc/11/56/82/205115682.db2.gz MWKLWPJOVVIWOR-GOSISDBHSA-N 0 1 368.496 4.532 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3F)[nH]n2)cc1 ZINC000051315477 205181552 /nfs/dbraw/zinc/18/15/52/205181552.db2.gz BAIXZFSYFLZUPE-UHFFFAOYSA-N 0 1 359.788 4.520 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Br)[nH]n2)cc1 ZINC000057477048 205240412 /nfs/dbraw/zinc/24/04/12/205240412.db2.gz BGECGFONJNMTLN-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN Cc1ccc(NS(=O)(=O)c2cccnc2Nc2ccc(Cl)cc2)cc1 ZINC000064757525 205304776 /nfs/dbraw/zinc/30/47/76/205304776.db2.gz GCAHXBFRUBSJBG-UHFFFAOYSA-N 0 1 373.865 4.588 50 0 FJAAMN CC(C)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000105575019 206006252 /nfs/dbraw/zinc/00/62/52/206006252.db2.gz YMYUYQFCDNCZTB-UHFFFAOYSA-N 0 1 359.369 4.509 50 0 FJAAMN Fc1ccccc1OC[C@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000215020659 206343586 /nfs/dbraw/zinc/34/35/86/206343586.db2.gz BNIATXQAOOWUQZ-HNNXBMFYSA-N 0 1 365.395 4.718 50 0 FJAAMN Cc1ccc(-c2ccsc2C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000032800826 206512721 /nfs/dbraw/zinc/51/27/21/206512721.db2.gz CFLGZKLZCPSPFH-GOSISDBHSA-N 0 1 370.543 4.818 50 0 FJAAMN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023330775 211384987 /nfs/dbraw/zinc/38/49/87/211384987.db2.gz LEOBDWKCCDLAPT-UHFFFAOYSA-N 0 1 367.452 4.982 50 0 FJAAMN CCCCC[C@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020440607 211278964 /nfs/dbraw/zinc/27/89/64/211278964.db2.gz KABHBZDXXJZWEM-RPWUZVMVSA-N 0 1 367.533 4.571 50 0 FJAAMN C[C@@H](NCc1ccc(-c2ccccc2F)o1)c1ccc2c(c1)OCCO2 ZINC000017311872 211184874 /nfs/dbraw/zinc/18/48/74/211184874.db2.gz XUXQEGUKDVJINY-CQSZACIVSA-N 0 1 353.393 4.708 50 0 FJAAMN COc1ccc(-n2ncc([C@H](C)NCc3ccc(SC)cc3)c2C)cc1 ZINC000015068471 211117334 /nfs/dbraw/zinc/11/73/34/211117334.db2.gz VSGKVWWOJDQQHQ-HNNXBMFYSA-N 0 1 367.518 4.762 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(SCCCC(=O)c3ccc(F)cc3)n2)o1 ZINC000014199546 211085493 /nfs/dbraw/zinc/08/54/93/211085493.db2.gz REIWODWWLDJWTK-ZHACJKMWSA-N 0 1 371.437 4.771 50 0 FJAAMN COc1ccccc1CNCc1cccc(OCc2ccc(F)cc2)c1 ZINC000013720403 211052166 /nfs/dbraw/zinc/05/21/66/211052166.db2.gz AOVWHOUTAXVIKD-UHFFFAOYSA-N 0 1 351.421 4.703 50 0 FJAAMN CCOc1ccc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 ZINC000008128450 210771229 /nfs/dbraw/zinc/77/12/29/210771229.db2.gz CBMUXBXYNXVKRV-SNVBAGLBSA-N 0 1 372.475 4.926 50 0 FJAAMN Cc1ccc(OCCSc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000002070677 210378269 /nfs/dbraw/zinc/37/82/69/210378269.db2.gz BSJVQALQZHOLBY-UHFFFAOYSA-N 0 1 363.280 4.805 50 0 FJAAMN FC(F)(F)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543066 136126772 /nfs/dbraw/zinc/12/67/72/136126772.db2.gz UWECIRIBUCIGLT-UHFFFAOYSA-N 0 1 354.803 4.681 50 0 FJAAMN Fc1ccc(N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000055543878 136127062 /nfs/dbraw/zinc/12/70/62/136127062.db2.gz APMXHOBRIVQAJR-UHFFFAOYSA-N 0 1 362.448 4.940 50 0 FJAAMN COc1ccc(C(=O)C2CCN(CCSc3ccccc3F)CC2)cc1 ZINC000097024799 222151800 /nfs/dbraw/zinc/15/18/00/222151800.db2.gz NJMGBMYRNFSMQV-UHFFFAOYSA-N 0 1 373.493 4.521 50 0 FJAAMN O=C([O-])c1ccc(COc2ccc(C[N@H+]3CC[C@H]3c3ccccc3)cc2)o1 ZINC000097394299 222179487 /nfs/dbraw/zinc/17/94/87/222179487.db2.gz SVMNWRFAWRXQJP-FQEVSTJZSA-N 0 1 363.413 4.504 50 0 FJAAMN Cc1nc(SCc2ccccc2)[nH]c(=O)c1Oc1ccc(Cl)cc1 ZINC000005176628 263339223 /nfs/dbraw/zinc/33/92/23/263339223.db2.gz GSPBTXMINHILRS-UHFFFAOYSA-N 0 1 358.850 4.816 50 0 FJAAMN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)C1(C)C ZINC000242048084 519443352 /nfs/dbraw/zinc/44/33/52/519443352.db2.gz VSPDUSWQQZCQAU-MNEFBYGVSA-N 0 1 351.494 4.773 50 0 FJAAMN CCCOc1ccc(CNCc2ccccc2OC)cc1Br ZINC000020926134 520368797 /nfs/dbraw/zinc/36/87/97/520368797.db2.gz XVDAPHLTDVABNZ-UHFFFAOYSA-N 0 1 364.283 4.536 50 0 FJAAMN Cc1ccc(COc2ccccc2CNCc2ccc3c(c2)OCO3)cc1 ZINC000020873623 524631094 /nfs/dbraw/zinc/63/10/94/524631094.db2.gz GRNVSKFKNZWELJ-UHFFFAOYSA-N 0 1 361.441 4.593 50 0 FJAAMN C[C@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000245237485 524947026 /nfs/dbraw/zinc/94/70/26/524947026.db2.gz KTLOUFPCYIBSBC-SBUREZEXSA-N 0 1 358.485 4.636 50 0 FJAAMN Cc1[nH]c(S[C@@H](C)C(=O)NC2CCCCCC2)nc1Cc1ccccc1 ZINC000008723753 525413937 /nfs/dbraw/zinc/41/39/37/525413937.db2.gz RLVBDFFJFMRUJW-INIZCTEOSA-N 0 1 371.550 4.629 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)n[nH]2)s1 ZINC000091625789 525718554 /nfs/dbraw/zinc/71/85/54/525718554.db2.gz VAYIMOYCHRVSPW-MRXNPFEDSA-N 0 1 370.478 4.535 50 0 FJAAMN COc1cccc(C[C@H]2CCCN2Cc2coc(-c3cccs3)n2)c1 ZINC000048290924 526081194 /nfs/dbraw/zinc/08/11/94/526081194.db2.gz BILMVKJJVDYTNW-QGZVFWFLSA-N 0 1 354.475 4.619 50 0 FJAAMN Fc1cccc(-c2ccc(N3CCC(NCc4nccs4)CC3)cc2)c1 ZINC000020782728 526380344 /nfs/dbraw/zinc/38/03/44/526380344.db2.gz IDLYUPONXLIDNI-UHFFFAOYSA-N 0 1 367.493 4.708 50 0 FJAAMN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl ZINC000006800748 568049415 /nfs/dbraw/zinc/04/94/15/568049415.db2.gz RGKACLORUGDCOK-UHFFFAOYSA-N 0 1 370.179 4.813 50 0 FJAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000221201881 568391217 /nfs/dbraw/zinc/39/12/17/568391217.db2.gz AGJOBBATGICLKR-LJQANCHMSA-N 0 1 369.827 4.847 50 0 FJAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683316 570532148 /nfs/dbraw/zinc/53/21/48/570532148.db2.gz WTFKFDOIWJJCCY-UHFFFAOYSA-N 0 1 374.484 4.899 50 0 FJAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)COc1ccccc1 ZINC000034794696 570557911 /nfs/dbraw/zinc/55/79/11/570557911.db2.gz UKQCBZLSIMWJAL-UHFFFAOYSA-N 0 1 369.852 4.700 50 0 FJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)COc2ccccc2)c(C)c1 ZINC000034794842 570558010 /nfs/dbraw/zinc/55/80/10/570558010.db2.gz CNMPFLVQHIGSPK-UHFFFAOYSA-N 0 1 361.445 4.588 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1cccc(Cl)c1 ZINC000034795061 570558287 /nfs/dbraw/zinc/55/82/87/570558287.db2.gz AAYLJNHWYVCIIE-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(Cl)cc2)c1 ZINC000034796130 570558763 /nfs/dbraw/zinc/55/87/63/570558763.db2.gz ZQCJHHGWMQQVJJ-UHFFFAOYSA-N 0 1 367.836 4.868 50 0 FJAAMN C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC000426573340 570616468 /nfs/dbraw/zinc/61/64/68/570616468.db2.gz XNPWYUNDMVUINS-KRWDZBQOSA-N 0 1 373.500 4.534 50 0 FJAAMN C[C@H]1CCCCN1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC000426573340 570616470 /nfs/dbraw/zinc/61/64/70/570616470.db2.gz XNPWYUNDMVUINS-KRWDZBQOSA-N 0 1 373.500 4.534 50 0 FJAAMN Cn1c(CSc2nc3ccc(Br)cc3[nH]2)nc2ccccc21 ZINC000006530786 570648672 /nfs/dbraw/zinc/64/86/72/570648672.db2.gz WUNJIISHOMYHOP-UHFFFAOYSA-N 0 1 373.279 4.504 50 0 FJAAMN Fc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1Cl ZINC000007539787 570665733 /nfs/dbraw/zinc/66/57/33/570665733.db2.gz ARYLNOSWNGQXRI-UHFFFAOYSA-N 0 1 359.784 4.758 50 0 FJAAMN O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000011822097 570708894 /nfs/dbraw/zinc/70/88/94/570708894.db2.gz UQUDEUNKROZSIO-HXUWFJFHSA-N 0 1 372.468 4.969 50 0 FJAAMN O=C(C1CCC1)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012151284 570723492 /nfs/dbraw/zinc/72/34/92/570723492.db2.gz UTFNKSRJGMEAOM-SFHVURJKSA-N 0 1 359.473 4.736 50 0 FJAAMN C/C=C(\C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012151177 570723720 /nfs/dbraw/zinc/72/37/20/570723720.db2.gz CRSXUPZQCQXXJO-JFCUDYFTSA-N 0 1 359.473 4.902 50 0 FJAAMN CC[C@H](C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012242383 570731028 /nfs/dbraw/zinc/73/10/28/570731028.db2.gz SEEAGKFBAOHZCY-WMZOPIPTSA-N 0 1 361.489 4.982 50 0 FJAAMN Cn1cc(CNCc2cccnc2Oc2ccccc2)c(-c2ccccc2)n1 ZINC000012305401 570734816 /nfs/dbraw/zinc/73/48/16/570734816.db2.gz DPQUSYLSIRDAFY-UHFFFAOYSA-N 0 1 370.456 4.564 50 0 FJAAMN COc1cccc(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1 ZINC000012385807 570741300 /nfs/dbraw/zinc/74/13/00/570741300.db2.gz IMLIHJJZHIJFOA-GOSISDBHSA-N 0 1 355.503 4.512 50 0 FJAAMN COc1cccc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1 ZINC000012385808 570741395 /nfs/dbraw/zinc/74/13/95/570741395.db2.gz IMLIHJJZHIJFOA-SFHVURJKSA-N 0 1 355.503 4.512 50 0 FJAAMN C[C@H](NCc1ccc(-c2ccccc2F)o1)c1ccc2c(c1)OCCO2 ZINC000017311874 570749233 /nfs/dbraw/zinc/74/92/33/570749233.db2.gz XUXQEGUKDVJINY-AWEZNQCLSA-N 0 1 353.393 4.708 50 0 FJAAMN CCOc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012575462 570751520 /nfs/dbraw/zinc/75/15/20/570751520.db2.gz VRCVATNTWXYAJU-OAHLLOKOSA-N 0 1 353.441 4.569 50 0 FJAAMN CCOc1ccc2nc(SCc3nc4ccccc4n3C(F)F)[nH]c2c1 ZINC000012629284 570754630 /nfs/dbraw/zinc/75/46/30/570754630.db2.gz QAWYDGNYBGOLNC-UHFFFAOYSA-N 0 1 374.416 4.999 50 0 FJAAMN Cc1c2ccccc2[nH]c1CN(C)Cc1cn(C)nc1-c1ccccc1F ZINC000012750438 570759458 /nfs/dbraw/zinc/75/94/58/570759458.db2.gz VNYLGEAYZFFEEM-UHFFFAOYSA-N 0 1 362.452 4.648 50 0 FJAAMN CC[C@H]1CCCCN1c1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000013127425 570774173 /nfs/dbraw/zinc/77/41/73/570774173.db2.gz QKIPZWIPWXDLCI-HNNXBMFYSA-N 0 1 363.461 4.780 50 0 aggregator FJAAMN Cc1ccc(N2[C@H]3CCCCCN3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013301690 570776460 /nfs/dbraw/zinc/77/64/60/570776460.db2.gz QKBJYJLZSLIWFC-LEWJYISDSA-N 0 1 356.897 4.516 50 0 FJAAMN Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nc1Cc1ccccc1 ZINC000004485578 570797498 /nfs/dbraw/zinc/79/74/98/570797498.db2.gz MDFHKRNZZDEEPR-AWEZNQCLSA-N 0 1 369.465 4.567 50 0 FJAAMN C/C(=C/c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000004554081 570833644 /nfs/dbraw/zinc/83/36/44/570833644.db2.gz MCTAXHIAVFVFTN-RNUYOQPASA-N 0 1 367.518 4.674 50 0 FJAAMN CC(C)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000032895506 570836323 /nfs/dbraw/zinc/83/63/23/570836323.db2.gz BTQFDXBTHKFYGL-UHFFFAOYSA-N 0 1 359.369 4.509 50 0 FJAAMN COc1ccc(CN(Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)cc1 ZINC000015486014 570839169 /nfs/dbraw/zinc/83/91/69/570839169.db2.gz XQDKGNQARZXMHH-UHFFFAOYSA-N 0 1 363.457 4.583 50 0 FJAAMN Fc1cccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccc(F)cc3F)C2)c1 ZINC000019228116 570883123 /nfs/dbraw/zinc/88/31/23/570883123.db2.gz GCJVVHJCXORYCH-INIZCTEOSA-N 0 1 371.406 4.874 50 0 FJAAMN COc1c(Cl)ccnc1CSc1nc2ccc(OC(F)F)cc2[nH]1 ZINC000021302735 570929514 /nfs/dbraw/zinc/92/95/14/570929514.db2.gz SEHIARBDRGKABK-UHFFFAOYSA-N 0 1 371.796 4.514 50 0 FJAAMN CCOc1cc(CN2CCC[C@@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021719945 570933352 /nfs/dbraw/zinc/93/33/52/570933352.db2.gz KSPHCDDVGJOSBO-GOSISDBHSA-N 0 1 358.482 4.814 50 0 FJAAMN COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000024715986 570980525 /nfs/dbraw/zinc/98/05/25/570980525.db2.gz ZANBINYQLPJHJL-IFXJQAMLSA-N 0 1 358.869 4.513 50 0 FJAAMN Cc1cc(O)c(-c2cc(C(=O)Nc3ccc4ccccc4c3)[nH]n2)cc1C ZINC000072238544 570993986 /nfs/dbraw/zinc/99/39/86/570993986.db2.gz OIDLIKYTAUMFTB-UHFFFAOYSA-N 0 1 357.413 4.805 50 0 FJAAMN CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000028290425 571030036 /nfs/dbraw/zinc/03/00/36/571030036.db2.gz AKCGMGLNUUYDRB-LJQANCHMSA-N 0 1 354.494 4.534 50 0 FJAAMN CN(CC(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029483808 571040026 /nfs/dbraw/zinc/04/00/26/571040026.db2.gz ZMMQWUXRVRSBCE-XMMPIXPASA-N 0 1 370.496 4.835 50 0 FJAAMN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040478354 571050370 /nfs/dbraw/zinc/05/03/70/571050370.db2.gz DHRMHOGLNOGAAB-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN CN(Cc1nnc(-c2ccc(F)cc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000040013696 571067905 /nfs/dbraw/zinc/06/79/05/571067905.db2.gz JPEINKUUYJLQMJ-UHFFFAOYSA-N 0 1 355.457 4.524 50 0 FJAAMN CN(C)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)c1cccs1 ZINC000032970912 571077804 /nfs/dbraw/zinc/07/78/04/571077804.db2.gz XGNYQLIWMGGXIP-SFHVURJKSA-N 0 1 366.486 4.573 50 0 FJAAMN C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044934148 571105295 /nfs/dbraw/zinc/10/52/95/571105295.db2.gz NJQXBZMZRZQGKZ-OAHLLOKOSA-N 0 1 374.887 4.569 50 0 FJAAMN Cc1cccc(-c2ncc(CN(C)Cc3cccc4ncccc34)cn2)c1 ZINC000055154019 571117105 /nfs/dbraw/zinc/11/71/05/571117105.db2.gz IPQDUMPAYBWKNS-UHFFFAOYSA-N 0 1 354.457 4.632 50 0 FJAAMN CCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2[C@H]1c1ccccc1 ZINC000004629568 571134309 /nfs/dbraw/zinc/13/43/09/571134309.db2.gz YXYQSHMMJRDUIH-LJQANCHMSA-N 0 1 351.837 4.685 50 0 FJAAMN CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000015862286 571138422 /nfs/dbraw/zinc/13/84/22/571138422.db2.gz JSBNLTDCOQVBHF-UHFFFAOYSA-N 0 1 354.881 4.820 50 0 FJAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1F ZINC000015863850 571139288 /nfs/dbraw/zinc/13/92/88/571139288.db2.gz IOJOXPRGFMUHGL-UHFFFAOYSA-N 0 1 359.404 4.740 50 0 FJAAMN Cn1c2ccccc2nc1-c1ccc(CN2CCC[C@H]2c2ccccn2)o1 ZINC000072145999 571173426 /nfs/dbraw/zinc/17/34/26/571173426.db2.gz DSRWSANXERJDNQ-FQEVSTJZSA-N 0 1 358.445 4.565 50 0 FJAAMN C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 ZINC000012533320 571175453 /nfs/dbraw/zinc/17/54/53/571175453.db2.gz QZDQWCPCCJBPIT-CYBMUJFWSA-N 0 1 357.251 4.955 50 0 FJAAMN COc1cc(CN[C@@H](C)c2cccnc2)ccc1OCc1ccc(F)cc1 ZINC000012543699 571177934 /nfs/dbraw/zinc/17/79/34/571177934.db2.gz MLNUKKUIIRLGGH-INIZCTEOSA-N 0 1 366.436 4.659 50 0 FJAAMN Cn1cc(CN2CCCC[C@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1 ZINC000072448052 571197281 /nfs/dbraw/zinc/19/72/81/571197281.db2.gz DIVMHKACFPQCDU-FQEVSTJZSA-N 0 1 366.896 4.863 50 0 FJAAMN O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072475850 571199217 /nfs/dbraw/zinc/19/92/17/571199217.db2.gz MGKHMHQXNDADMR-LJQANCHMSA-N 0 1 362.408 4.551 50 0 FJAAMN O=C(c1ccc2occc2c1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072479124 571199592 /nfs/dbraw/zinc/19/95/92/571199592.db2.gz OAJRVXANVOZWEK-GOSISDBHSA-N 0 1 363.392 4.816 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2cccs2)[nH]n1 ZINC000075558740 571200745 /nfs/dbraw/zinc/20/07/45/571200745.db2.gz WNPQZIVKTABIRZ-UHFFFAOYSA-N 0 1 350.447 4.674 50 0 FJAAMN CCCN1CCN(C(=O)c2ccc(-c3cc(C)c(F)cc3Cl)cc2)CC1 ZINC000534667898 571208468 /nfs/dbraw/zinc/20/84/68/571208468.db2.gz HKFVXWNWMPATSA-UHFFFAOYSA-N 0 1 374.887 4.622 50 0 FJAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000006563944 571209721 /nfs/dbraw/zinc/20/97/21/571209721.db2.gz ZGSMCKOMEXOSRU-MRXNPFEDSA-N 0 1 361.898 4.597 50 0 FJAAMN CC(C)c1n[nH]c(NC(=O)C[C@@H](c2cccc3ccccc32)n2cccc2)n1 ZINC000263587741 571211468 /nfs/dbraw/zinc/21/14/68/571211468.db2.gz KSLQVUPPETTYLA-IBGZPJMESA-N 0 1 373.460 4.501 50 0 FJAAMN CC(C)c1nc(NC(=O)C[C@@H](c2cccc3ccccc32)n2cccc2)n[nH]1 ZINC000263587741 571211471 /nfs/dbraw/zinc/21/14/71/571211471.db2.gz KSLQVUPPETTYLA-IBGZPJMESA-N 0 1 373.460 4.501 50 0 FJAAMN CC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@H]1C ZINC000426484466 571227492 /nfs/dbraw/zinc/22/74/92/571227492.db2.gz MPXWOAZCMKXUFC-OAHLLOKOSA-N 0 1 374.887 4.701 50 0 FJAAMN COc1ccc(OC)c(CN2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000036347924 571249022 /nfs/dbraw/zinc/24/90/22/571249022.db2.gz ABDYSXXHYZOOAO-HSZRJFAPSA-N 0 1 362.473 4.501 50 0 FJAAMN Cc1nc(-c2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)s2)cs1 ZINC000007047524 571258275 /nfs/dbraw/zinc/25/82/75/571258275.db2.gz ZDBTVNMUDHEZOH-UHFFFAOYSA-N 0 1 371.512 4.601 50 0 FJAAMN Cc1cccc(C)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000007409040 571265264 /nfs/dbraw/zinc/26/52/64/571265264.db2.gz SNTCZFBMMZLSHG-UHFFFAOYSA-N 0 1 363.788 4.776 50 0 FJAAMN C[C@@H](OC(=O)CCn1ccc2ccccc21)c1nc2ccc(Cl)cc2[nH]1 ZINC000170625407 571269304 /nfs/dbraw/zinc/26/93/04/571269304.db2.gz DJYUUBOVKKCCJX-CYBMUJFWSA-N 0 1 367.836 4.866 50 0 FJAAMN O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000007620741 571284450 /nfs/dbraw/zinc/28/44/50/571284450.db2.gz WJTWKVCMFCXHSC-IBGZPJMESA-N 0 1 369.534 4.514 50 0 FJAAMN FC(F)(F)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019537646 571326448 /nfs/dbraw/zinc/32/64/48/571326448.db2.gz NKDSUWQPWJBWQU-QPJJXVBHSA-N 0 1 360.423 4.536 50 0 FJAAMN CC[C@@H](CCc1ccc(Br)cc1)NCc1nc(C)c(C)o1 ZINC000095943575 571332475 /nfs/dbraw/zinc/33/24/75/571332475.db2.gz MGDCBWLROVENRJ-INIZCTEOSA-N 0 1 351.288 4.555 50 0 FJAAMN CCOc1ccc(C(=O)Nc2cc(-c3cc4ccccc4n3CC)n[nH]2)cc1 ZINC000096400252 571335709 /nfs/dbraw/zinc/33/57/09/571335709.db2.gz KSYVTQCBIOWAMD-UHFFFAOYSA-N 0 1 374.444 4.702 50 0 FJAAMN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412621 571343268 /nfs/dbraw/zinc/34/32/68/571343268.db2.gz DHGXNSNEDQYXNI-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C(C)C)n[nH]2)cc1 ZINC000057477101 571343577 /nfs/dbraw/zinc/34/35/77/571343577.db2.gz IZFWTTWVYFTYJP-UHFFFAOYSA-N 0 1 363.461 4.526 50 0 FJAAMN O=C(CCCCCCCCC(O)=C1CCCCC1=O)C1=C(O)CCCC1 ZINC000025627899 210160467 /nfs/dbraw/zinc/16/04/67/210160467.db2.gz RAOXNINWQAFWNG-ROUUACIJSA-N 0 1 362.510 4.764 50 0 FJAAMN O=C(c1csc2c1CCCC2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000299764223 210012652 /nfs/dbraw/zinc/01/26/52/210012652.db2.gz YLWOIFXQBRXBLB-KRWDZBQOSA-N 0 1 369.465 4.620 50 0 FJAAMN OC(c1ccc(Cl)s1)(c1ccc(Cl)s1)[C@@H]1CN2CCC1CC2 ZINC000000920376 219340908 /nfs/dbraw/zinc/34/09/08/219340908.db2.gz ZDHSJVXBNDEQSR-LLVKDONJSA-N 0 1 374.358 4.694 50 0 FJAAMN CSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501007 204042287 /nfs/dbraw/zinc/04/22/87/204042287.db2.gz IKQVAWAYEBGDCK-GHTZIAJQSA-N 0 1 368.502 4.602 50 0 FJAAMN O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(C2CCCCC2)cc1 ZINC000003094691 204078086 /nfs/dbraw/zinc/07/80/86/204078086.db2.gz ANONORHHOPRFLM-UHFFFAOYSA-N 0 1 350.871 4.584 50 0 FJAAMN COc1cccc([C@H]2CC(=Nc3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000003902807 204114711 /nfs/dbraw/zinc/11/47/11/204114711.db2.gz DMTXOVYLKNUPGA-JOCHJYFZSA-N 0 1 356.425 4.779 50 0 aggregator FJAAMN CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)N1CCCCC1)CCCC2 ZINC000004193659 204127087 /nfs/dbraw/zinc/12/70/87/204127087.db2.gz PWNZQDIWJUPQCS-FQEVSTJZSA-N 0 1 369.534 4.556 50 0 FJAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Cl)c1 ZINC000004679235 204153811 /nfs/dbraw/zinc/15/38/11/204153811.db2.gz CDCILSZATJRKFR-UHFFFAOYSA-N 0 1 359.832 4.601 50 0 FJAAMN COc1cccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2C)c1 ZINC000004678698 204154421 /nfs/dbraw/zinc/15/44/21/204154421.db2.gz OPDKJWCMJZYOFN-UHFFFAOYSA-N 0 1 361.367 4.727 50 0 FJAAMN COc1ccc2c(CSc3nc4ccc(Cl)cc4[nH]3)cc(=O)oc2c1 ZINC000004406765 204138733 /nfs/dbraw/zinc/13/87/33/204138733.db2.gz WBWUJNVNQZBFFD-UHFFFAOYSA-N 0 1 372.833 4.624 50 0 FJAAMN COc1ccc(C(C)=O)cc1CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000004492437 204141620 /nfs/dbraw/zinc/14/16/20/204141620.db2.gz LFSPMQGRPDRCIY-UHFFFAOYSA-N 0 1 366.486 4.812 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 ZINC000004556151 204147038 /nfs/dbraw/zinc/14/70/38/204147038.db2.gz BFUQMMQBRKJPQA-SFHVURJKSA-N 0 1 369.534 4.853 50 0 FJAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000006563943 204253552 /nfs/dbraw/zinc/25/35/52/204253552.db2.gz ZGSMCKOMEXOSRU-INIZCTEOSA-N 0 1 361.898 4.597 50 0 FJAAMN CCN(CC)C(=O)[C@@H](Sc1nc2ccc(C)cc2[nH]1)c1ccccc1 ZINC000007927928 204311288 /nfs/dbraw/zinc/31/12/88/204311288.db2.gz PSCIGXDYGSWTAQ-SFHVURJKSA-N 0 1 353.491 4.573 50 0 FJAAMN CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCCc2ccccc21 ZINC000008126681 204317989 /nfs/dbraw/zinc/31/79/89/204317989.db2.gz RZYLYDVIVPJXJB-KRWDZBQOSA-N 0 1 363.288 4.941 50 0 FJAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126766 204319650 /nfs/dbraw/zinc/31/96/50/204319650.db2.gz HXGGXHBPTDGCSA-KRWDZBQOSA-N 0 1 363.288 4.941 50 0 FJAAMN CCOc1ccc(-c2cc(-c3nc(-c4cccs4)no3)[nH]n2)cc1Cl ZINC000009002133 204351790 /nfs/dbraw/zinc/35/17/90/204351790.db2.gz MHSFZPUSKLAAQM-UHFFFAOYSA-N 0 1 372.837 4.907 50 0 FJAAMN Cc1cc(Br)ccc1NC(=O)[C@H](c1ccccc1)N1CCCC1 ZINC000058379557 212007360 /nfs/dbraw/zinc/00/73/60/212007360.db2.gz NROVVFPHWLRLOB-SFHVURJKSA-N 0 1 373.294 4.533 50 0 FJAAMN Cc1cccc(NC(=O)[C@H](C)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000057508886 211975659 /nfs/dbraw/zinc/97/56/59/211975659.db2.gz MCSDSTUYZNWAHN-JXFKEZNVSA-N 0 1 350.487 4.763 50 0 FJAAMN CC1CCN([C@H](CNC(=O)c2ccc(Cl)s2)c2cccs2)CC1 ZINC000027573594 204865135 /nfs/dbraw/zinc/86/51/35/204865135.db2.gz ZZTWIABBUYLBKZ-CYBMUJFWSA-N 0 1 368.955 4.666 50 0 FJAAMN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000036347567 205011138 /nfs/dbraw/zinc/01/11/38/205011138.db2.gz IBGVGRJUTQRTOY-HSZRJFAPSA-N 0 1 362.473 4.501 50 0 FJAAMN c1cnn(-c2ccc(CN3CCC[C@@H]3c3nc4ccccc4s3)cc2)c1 ZINC000037122293 205024084 /nfs/dbraw/zinc/02/40/84/205024084.db2.gz YHUQJBMDOLTRRG-LJQANCHMSA-N 0 1 360.486 4.819 50 0 FJAAMN CCOc1cc(CNCc2ccncc2)ccc1OCc1cccc(C)c1 ZINC000040736598 205079198 /nfs/dbraw/zinc/07/91/98/205079198.db2.gz DMWYOUZCBQLXEX-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN CCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(C)cc1 ZINC000040722034 205076940 /nfs/dbraw/zinc/07/69/40/205076940.db2.gz BWLFSDFDQBWPNP-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN COc1cccc(CNCc2cccs2)c1OCc1cccc(C)c1 ZINC000040722249 205078607 /nfs/dbraw/zinc/07/86/07/205078607.db2.gz OJXNEKUXENQDPG-UHFFFAOYSA-N 0 1 353.487 4.934 50 0 FJAAMN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412318 205238203 /nfs/dbraw/zinc/23/82/03/205238203.db2.gz DJMINQWGZJFYGJ-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN Cc1c(CN2CCSCC2)cccc1NC(=O)C1=C(Cl)CCCC1 ZINC000061308016 205287384 /nfs/dbraw/zinc/28/73/84/205287384.db2.gz CJTHNDHTEJSQPL-UHFFFAOYSA-N 0 1 364.942 4.549 50 0 FJAAMN CCOc1ccc(-c2csc3c2[nH]c(SC)nc3=O)cc1OCC ZINC000062591981 205291161 /nfs/dbraw/zinc/29/11/61/205291161.db2.gz FVXIRNLMLOAQQH-UHFFFAOYSA-N 0 1 362.476 4.583 50 0 FJAAMN COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1 ZINC000065238997 205326960 /nfs/dbraw/zinc/32/69/60/205326960.db2.gz ZXPRLMZGNXOHMF-CQSZACIVSA-N 0 1 370.518 4.506 50 0 FJAAMN Cc1ccccc1-c1ncc(CNCc2nc3ccc(Cl)cc3[nH]2)s1 ZINC000067561767 205374259 /nfs/dbraw/zinc/37/42/59/205374259.db2.gz ZNQPPSRNGYKWCG-UHFFFAOYSA-N 0 1 368.893 4.938 50 0 FJAAMN Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1Cc1cc(C(C)(C)C)n[nH]1 ZINC000067674177 205381051 /nfs/dbraw/zinc/38/10/51/205381051.db2.gz SCKKWKIRBSVVJF-UHFFFAOYSA-N 0 1 374.492 4.626 50 0 FJAAMN CCn1c(-c2cc(NC(=O)c3ccccc3C)[nH]n2)cc2cc(OC)ccc21 ZINC000096398583 205875573 /nfs/dbraw/zinc/87/55/73/205875573.db2.gz XNNCTBNUOOMSGU-UHFFFAOYSA-N 0 1 374.444 4.621 50 0 FJAAMN CC[C@@H](C)c1cc(C(=O)Nc2nc(-c3ccccc3Cl)ns2)on1 ZINC000155321277 206221975 /nfs/dbraw/zinc/22/19/75/206221975.db2.gz RYQJJYFWMZPQCY-SECBINFHSA-N 0 1 362.842 4.612 50 0 FJAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000102742343 206230047 /nfs/dbraw/zinc/23/00/47/206230047.db2.gz HMOJGKUPOBIJBW-SMIHKQSGSA-N 0 1 365.517 4.872 50 0 FJAAMN C[N@@H+](C[C@H](O)c1ccccc1F)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000105719143 206233481 /nfs/dbraw/zinc/23/34/81/206233481.db2.gz DKCBNRHIQRQBQK-FCHUYYIVSA-N 0 1 353.412 4.720 50 0 FJAAMN Fc1ccccc1OC1CCN(Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000215861930 206351991 /nfs/dbraw/zinc/35/19/91/206351991.db2.gz CSCQZRLJGPTLRY-IBGZPJMESA-N 0 1 361.482 4.782 50 0 FJAAMN C[C@H](N[C@H](c1cccs1)c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000057508752 206385937 /nfs/dbraw/zinc/38/59/37/206385937.db2.gz AAHVOFVHUPKGGC-LIRRHRJNSA-N 0 1 354.450 4.593 50 0 FJAAMN Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000023973446 211399056 /nfs/dbraw/zinc/39/90/56/211399056.db2.gz WSCCOCPVBRAXCR-LBPRGKRZSA-N 0 1 372.881 4.553 50 0 FJAAMN CCCN(CC)C(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000022667466 211360610 /nfs/dbraw/zinc/36/06/10/211360610.db2.gz LLVCMXDAXXSXQQ-UHFFFAOYSA-N 0 1 363.461 4.624 50 0 FJAAMN CN1CCN(C/C=C2/c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022035105 211334855 /nfs/dbraw/zinc/33/48/55/211334855.db2.gz SYQCOJUTHOBPTA-UWVJOHFNSA-N 0 1 370.949 4.625 50 0 FJAAMN CCCOc1ccc(CN2CCC[C@H]2c2c(C)noc2CC)cc1OC ZINC000021720869 211322760 /nfs/dbraw/zinc/32/27/60/211322760.db2.gz UYUDTDQMLAPIAV-KRWDZBQOSA-N 0 1 358.482 4.680 50 0 FJAAMN CCCCC[C@@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000020440612 211278426 /nfs/dbraw/zinc/27/84/26/211278426.db2.gz KABHBZDXXJZWEM-DNQXCXABSA-N 0 1 367.533 4.571 50 0 FJAAMN COc1ccc2ccccc2c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019634328 211242452 /nfs/dbraw/zinc/24/24/52/211242452.db2.gz SBBRSRBSSPJBBW-JXMROGBWSA-N 0 1 372.512 4.679 50 0 FJAAMN CCc1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000019359644 211218417 /nfs/dbraw/zinc/21/84/17/211218417.db2.gz OODRLIPBLPTYER-UHFFFAOYSA-N 0 1 362.439 4.586 50 0 FJAAMN CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000017917351 211188350 /nfs/dbraw/zinc/18/83/50/211188350.db2.gz NHTCZMVTMMUHRN-UHFFFAOYSA-N 0 1 360.244 4.656 50 0 FJAAMN O=C(CCc1ccccc1)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000015863870 211146859 /nfs/dbraw/zinc/14/68/59/211146859.db2.gz IWPQMEOBVPCXOS-UHFFFAOYSA-N 0 1 369.468 4.919 50 0 FJAAMN COc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1 ZINC000015732374 211138841 /nfs/dbraw/zinc/13/88/41/211138841.db2.gz UWSYDGDBWIDOKI-UHFFFAOYSA-N 0 1 368.396 4.956 50 0 FJAAMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(C(F)(F)F)cc1 ZINC000015581963 211133230 /nfs/dbraw/zinc/13/32/30/211133230.db2.gz JQUUWAIYNYUYMJ-UHFFFAOYSA-N 0 1 373.422 4.857 50 0 FJAAMN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C(C1CC1)C1CC1 ZINC000015077591 211121132 /nfs/dbraw/zinc/12/11/32/211121132.db2.gz LOTQHRHWLWKTEO-UHFFFAOYSA-N 0 1 373.500 4.870 50 0 FJAAMN Cc1ccccc1Oc1ncccc1CNCc1cccn1-c1cccnc1 ZINC000015072417 211118710 /nfs/dbraw/zinc/11/87/10/211118710.db2.gz XQRRNUUIJKZNIX-UHFFFAOYSA-N 0 1 370.456 4.658 50 0 FJAAMN Cc1ccc(N[C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1C ZINC000015074357 211118390 /nfs/dbraw/zinc/11/83/90/211118390.db2.gz CXINDQBHBZLVEM-LJQANCHMSA-N 0 1 366.534 4.627 50 0 FJAAMN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NCc2ccc(F)c(F)c2)c1 ZINC000014977544 211111810 /nfs/dbraw/zinc/11/18/10/211111810.db2.gz JSQWADIYAHYYOK-OAQYLSRUSA-N 0 1 367.443 4.935 50 0 FJAAMN Cc1ccc2c(c1)CN(Cc1ccc(O)cc1)C[C@H](c1ccsc1)O2 ZINC000014990967 211111444 /nfs/dbraw/zinc/11/14/44/211111444.db2.gz DIZGKRYZBDDZPP-OAQYLSRUSA-N 0 1 351.471 4.898 50 0 FJAAMN Cc1sc2[nH]c([C@H](C)N[C@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137083 211077543 /nfs/dbraw/zinc/07/75/43/211077543.db2.gz BQKLUWSPPHHPNO-MNOVXSKESA-N 0 1 361.898 4.667 50 0 FJAAMN CCN(c1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1)C(C)C ZINC000014075715 211069294 /nfs/dbraw/zinc/06/92/94/211069294.db2.gz UMOWHVWXDRSLQB-UHFFFAOYSA-N 0 1 366.440 4.703 50 0 FJAAMN CCOc1ccc(-n2c(=S)[nH]nc2-c2cc(Cl)ccc2OC)cc1 ZINC000013547454 211039894 /nfs/dbraw/zinc/03/98/94/211039894.db2.gz AXHIXFZNDWTLFW-UHFFFAOYSA-N 0 1 361.854 4.658 50 0 FJAAMN COc1ccccc1[C@@H](C)NCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000013020119 211020177 /nfs/dbraw/zinc/02/01/77/211020177.db2.gz CWJWVXOHUQSBAT-LJQANCHMSA-N 0 1 374.484 4.579 50 0 FJAAMN C/C=C(\C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012151178 210923652 /nfs/dbraw/zinc/92/36/52/210923652.db2.gz CRSXUPZQCQXXJO-MFRRKEJXSA-N 0 1 359.473 4.902 50 0 FJAAMN Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)cc1Cl ZINC000001068900 210311652 /nfs/dbraw/zinc/31/16/52/210311652.db2.gz WRXADEAXVDNZJT-UHFFFAOYSA-N 0 1 363.788 4.776 50 0 FJAAMN CC(C)[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000057529533 221091170 /nfs/dbraw/zinc/09/11/70/221091170.db2.gz LKOPIZBVRYUGLP-PMACEKPBSA-N 0 1 356.897 4.647 50 0 FJAAMN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058081580 221098192 /nfs/dbraw/zinc/09/81/92/221098192.db2.gz FQVKZURGBHTZGG-MRXNPFEDSA-N 0 1 360.860 4.638 50 0 FJAAMN Cc1ncc(CN2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)[nH]1 ZINC000067805442 221289009 /nfs/dbraw/zinc/28/90/09/221289009.db2.gz GPNROSWXEFOUMA-UHFFFAOYSA-N 0 1 370.456 4.598 50 0 FJAAMN Cc1scc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000020514351 132897051 /nfs/dbraw/zinc/89/70/51/132897051.db2.gz JUUAZIOENUWDKT-UHFFFAOYSA-N 0 1 354.441 4.706 50 0 FJAAMN COc1ccccc1NC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000096363675 222118044 /nfs/dbraw/zinc/11/80/44/222118044.db2.gz RALQXBRFMNIVNX-UHFFFAOYSA-N 0 1 371.440 4.810 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)c3c(C)cc(C)cc3C)n2)o1 ZINC000097015482 222150938 /nfs/dbraw/zinc/15/09/38/222150938.db2.gz QTNRUUIPXPOGNF-FPLPWBNLSA-N 0 1 367.474 4.777 50 0 FJAAMN CN(Cc1cccc2ccccc21)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000083864197 523320226 /nfs/dbraw/zinc/32/02/26/523320226.db2.gz IIXRDWXJJYGZLC-UHFFFAOYSA-N 0 1 359.404 4.641 50 0 FJAAMN C[C@@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000245237484 525098409 /nfs/dbraw/zinc/09/84/09/525098409.db2.gz KTLOUFPCYIBSBC-HXOBKFHXSA-N 0 1 358.485 4.636 50 0 FJAAMN Cc1n[nH]c(C)c1CN(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000020855452 526493428 /nfs/dbraw/zinc/49/34/28/526493428.db2.gz GZFNBHDYFLGALT-UHFFFAOYSA-N 0 1 371.488 4.716 50 0 FJAAMN Cc1noc(C)c1NC(=O)c1ccc([C@H]2CCCN2C/C=C/C(C)C)s1 ZINC000020537102 526546237 /nfs/dbraw/zinc/54/62/37/526546237.db2.gz OCZKARXEBDLTQR-BIENSFFJSA-N 0 1 373.522 4.954 50 0 FJAAMN Cc1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)oc1C ZINC000014965391 568277279 /nfs/dbraw/zinc/27/72/79/568277279.db2.gz MXBDKHAMTZSWSQ-QGZVFWFLSA-N 0 1 358.457 4.666 50 0 FJAAMN Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H](c2nc3cccc(C)c3[nH]2)C1 ZINC000091849248 570440926 /nfs/dbraw/zinc/44/09/26/570440926.db2.gz DBRATPHQEGEMGE-INIZCTEOSA-N 0 1 372.472 4.681 50 0 FJAAMN CC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000011438171 570448396 /nfs/dbraw/zinc/44/83/96/570448396.db2.gz MLPZRPDEUKYNAY-QFIPXVFZSA-N 0 1 362.473 4.698 50 0 FJAAMN CC(C)[C@H]1COCC[N@H+]1CCCc1ccc(COc2ccccc2)cc1 ZINC000095101108 570451271 /nfs/dbraw/zinc/45/12/71/570451271.db2.gz DMEITRWKYQAHAB-HSZRJFAPSA-N 0 1 353.506 4.555 50 0 FJAAMN COc1ccc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c(OC)c1C ZINC000097547872 570490192 /nfs/dbraw/zinc/49/01/92/570490192.db2.gz RNLASHJSDOOTIA-LJQANCHMSA-N 0 1 365.477 4.534 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000034794351 570557925 /nfs/dbraw/zinc/55/79/25/570557925.db2.gz ZWHNMPIAYXZLOY-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2ccc(F)cc2)c1 ZINC000034796183 570558743 /nfs/dbraw/zinc/55/87/43/570558743.db2.gz WUSWXNAVTNURCS-UHFFFAOYSA-N 0 1 367.424 4.675 50 0 FJAAMN CCCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034796177 570558760 /nfs/dbraw/zinc/55/87/60/570558760.db2.gz VYNRCARRNJZNJD-UHFFFAOYSA-N 0 1 371.387 4.568 50 0 FJAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)Nc1cccc(F)c1 ZINC000034796745 570559198 /nfs/dbraw/zinc/55/91/98/570559198.db2.gz ZBTGGVIQQYVCEL-UHFFFAOYSA-N 0 1 366.396 4.746 50 0 FJAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 ZINC000005017609 570575390 /nfs/dbraw/zinc/57/53/90/570575390.db2.gz BATNOXOVLRQUJW-LLVKDONJSA-N 0 1 368.487 4.686 50 0 FJAAMN COc1cccc(CNCc2cccnc2)c1OCc1ccccc1Cl ZINC000004413515 570590174 /nfs/dbraw/zinc/59/01/74/570590174.db2.gz YKGAHXJHNSYIIS-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN COc1cccc(CNCc2cccs2)c1OCc1ccccc1F ZINC000005019727 570618337 /nfs/dbraw/zinc/61/83/37/570618337.db2.gz AZVFKZAFRWYRFB-UHFFFAOYSA-N 0 1 357.450 4.765 50 0 FJAAMN CC(=O)Nc1ccc(-c2nc3cc(-c4nc5ccccc5o4)ccc3[nH]2)cc1 ZINC000005481068 570628208 /nfs/dbraw/zinc/62/82/08/570628208.db2.gz YYQGATVKKXYDKI-UHFFFAOYSA-N 0 1 368.396 4.997 50 0 FJAAMN O=C(NCC1CC1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000022657483 570635594 /nfs/dbraw/zinc/63/55/94/570635594.db2.gz ITKPEUDIKMYNDV-UHFFFAOYSA-N 0 1 351.837 4.537 50 0 FJAAMN Cc1cc(-c2ccc(CNCc3cccnc3)o2)ccc1Br ZINC000006715974 570652740 /nfs/dbraw/zinc/65/27/40/570652740.db2.gz AVMXJZXBYGCPBH-UHFFFAOYSA-N 0 1 357.251 4.702 50 0 FJAAMN CC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1-c1cccc2ccccc21 ZINC000005408085 570653406 /nfs/dbraw/zinc/65/34/06/570653406.db2.gz KVUSUZUUGHCWEQ-UHFFFAOYSA-N 0 1 355.393 4.566 50 0 FJAAMN COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccccc1 ZINC000008495526 570682348 /nfs/dbraw/zinc/68/23/48/570682348.db2.gz HKNVWHOCIIQGRA-UHFFFAOYSA-N 0 1 351.421 4.703 50 0 FJAAMN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000011874290 570710984 /nfs/dbraw/zinc/71/09/84/570710984.db2.gz FHLGMVCRCMXFMI-HSZRJFAPSA-N 0 1 356.469 4.844 50 0 FJAAMN CC(=O)c1cccc(CN[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1 ZINC000011879804 570711336 /nfs/dbraw/zinc/71/13/36/570711336.db2.gz SUQWRZDCSHBFGR-QHCPKHFHSA-N 0 1 373.500 4.859 50 0 FJAAMN COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4cccc(C)n4)C3)ccc2c1 ZINC000011932693 570711450 /nfs/dbraw/zinc/71/14/50/570711450.db2.gz XXLDPDOCCFMHIA-OAQYLSRUSA-N 0 1 374.484 4.647 50 0 FJAAMN Cc1ccc(-c2nc(CN3CCCC[C@@H]3CCn3cccn3)c(C)o2)s1 ZINC000012030416 570714479 /nfs/dbraw/zinc/71/44/79/570714479.db2.gz PLJUETWQQISXPN-QGZVFWFLSA-N 0 1 370.522 4.661 50 0 FJAAMN CC(=O)c1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)c1 ZINC000012093034 570718191 /nfs/dbraw/zinc/71/81/91/570718191.db2.gz RQGCTGUNRVDCKC-QFIPXVFZSA-N 0 1 373.500 4.878 50 0 FJAAMN O=C(c1cccc2ccccc21)[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000012193136 570725788 /nfs/dbraw/zinc/72/57/88/570725788.db2.gz IZNBFTLAGAWFNC-SFHVURJKSA-N 0 1 373.452 4.663 50 0 FJAAMN Cc1nn(C(C)C)c(C)c1CN[C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012197152 570726339 /nfs/dbraw/zinc/72/63/39/570726339.db2.gz BKWGVHIZABJING-AWEZNQCLSA-N 0 1 369.488 4.565 50 0 FJAAMN Fc1cccc(-c2c[nH]nc2C2CCN(Cc3cc(F)ccc3F)CC2)c1 ZINC000012242398 570730992 /nfs/dbraw/zinc/73/09/92/570730992.db2.gz MGZJJEDJEGLYRS-UHFFFAOYSA-N 0 1 371.406 4.874 50 0 FJAAMN Fc1cccc(-c2c[nH]nc2C2CCN(Cc3cccc(F)c3F)CC2)c1 ZINC000012241414 570731035 /nfs/dbraw/zinc/73/10/35/570731035.db2.gz RZGLLKGLDPROHZ-UHFFFAOYSA-N 0 1 371.406 4.874 50 0 FJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000017315467 570748820 /nfs/dbraw/zinc/74/88/20/570748820.db2.gz HOXQBHUEGFBXLZ-OAHLLOKOSA-N 0 1 369.459 4.986 50 0 FJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccccc1Cl ZINC000017310515 570748891 /nfs/dbraw/zinc/74/88/91/570748891.db2.gz HKQOGOPODNYWLE-UHFFFAOYSA-N 0 1 353.897 4.800 50 0 FJAAMN CCOc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)cc1 ZINC000032617205 570755610 /nfs/dbraw/zinc/75/56/10/570755610.db2.gz YXDOBOFQAQJKPX-UHFFFAOYSA-N 0 1 366.808 4.846 50 0 FJAAMN COc1ccc(NC(=O)c2cc(Br)c3ccccc3c2O)cc1 ZINC000003149539 570779164 /nfs/dbraw/zinc/77/91/64/570779164.db2.gz FIMBGMIFGDDDAX-UHFFFAOYSA-N 0 1 372.218 4.569 50 0 FJAAMN COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1F ZINC000013758775 570789383 /nfs/dbraw/zinc/78/93/83/570789383.db2.gz KDSGEFWXLQJWCW-UEVCKROQSA-N 0 1 369.480 4.703 50 0 FJAAMN Cc1ccc2nc(S[C@@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 ZINC000013945431 570798312 /nfs/dbraw/zinc/79/83/12/570798312.db2.gz ALLZIZZUNWKXDF-LJQANCHMSA-N 0 1 365.502 4.764 50 0 FJAAMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000014257066 570816894 /nfs/dbraw/zinc/81/68/94/570816894.db2.gz HRWLCFHZQHJKET-LBPRGKRZSA-N 0 1 353.871 4.663 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3c(C)cccc3Cl)[nH]n2)cc1 ZINC000051315500 570864083 /nfs/dbraw/zinc/86/40/83/570864083.db2.gz YDRLOYZJCGGOBC-UHFFFAOYSA-N 0 1 355.825 4.690 50 0 FJAAMN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)C1(C)C ZINC000107347970 570896470 /nfs/dbraw/zinc/89/64/70/570896470.db2.gz VSPDUSWQQZCQAU-ATZDWAIDSA-N 0 1 351.494 4.773 50 0 FJAAMN COc1ccc(C)cc1NC(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838036 570900687 /nfs/dbraw/zinc/90/06/87/570900687.db2.gz LBZFLEHMHHEOCP-UHFFFAOYSA-N 0 1 357.413 4.799 50 0 FJAAMN COc1ccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1F ZINC000044838348 570900896 /nfs/dbraw/zinc/90/08/96/570900896.db2.gz XKPLXTOZAWFCBA-UHFFFAOYSA-N 0 1 361.376 4.630 50 0 FJAAMN O[C@H](CN1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000108064022 570902030 /nfs/dbraw/zinc/90/20/30/570902030.db2.gz OMXZPAKUEDUQIB-CTNGQTDRSA-N 0 1 371.452 4.707 50 0 FJAAMN COc1cc(CN2CCC[C@@H]2c2c(C)noc2C)ccc1OCC(C)C ZINC000021720324 570933559 /nfs/dbraw/zinc/93/35/59/570933559.db2.gz TUEQPMSEVDXHLM-GOSISDBHSA-N 0 1 358.482 4.672 50 0 FJAAMN CC[C@H](C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 ZINC000022619741 570947733 /nfs/dbraw/zinc/94/77/33/570947733.db2.gz VPRVWFIOXRTXLG-RXVVDRJESA-N 0 1 370.924 4.787 50 0 FJAAMN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(O)c(Cl)c1 ZINC000024248103 570973657 /nfs/dbraw/zinc/97/36/57/570973657.db2.gz ZSDQORMWBIUUDF-ZDUSSCGKSA-N 0 1 354.258 4.666 50 0 FJAAMN CC(C)C(=O)Nc1cccc(CNCc2ccc(-c3ccccc3F)o2)c1 ZINC000025061878 570990111 /nfs/dbraw/zinc/99/01/11/570990111.db2.gz RSIVGOKSZZRPAI-UHFFFAOYSA-N 0 1 366.436 4.970 50 0 FJAAMN COc1ccc2nc(S[C@H](C)c3nc(-c4cccs4)no3)[nH]c2c1 ZINC000026008261 571002135 /nfs/dbraw/zinc/00/21/35/571002135.db2.gz MNFCYRZCZZBXBX-SECBINFHSA-N 0 1 358.448 4.536 50 0 FJAAMN Clc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222629 571010943 /nfs/dbraw/zinc/01/09/43/571010943.db2.gz QWAXLQCDONGIRF-FQEVSTJZSA-N 0 1 351.881 4.752 50 0 FJAAMN Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1 ZINC000027582737 571014648 /nfs/dbraw/zinc/01/46/48/571014648.db2.gz PCNDSLWCGGMEFZ-OAQYLSRUSA-N 0 1 370.924 4.996 50 0 FJAAMN O=C(NC[C@@H](c1cccs1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027742424 571019393 /nfs/dbraw/zinc/01/93/93/571019393.db2.gz NFHNOBOWPGKEFF-ONUXSRJRSA-N 0 1 372.578 4.608 50 0 FJAAMN C[C@@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000029485709 571040984 /nfs/dbraw/zinc/04/09/84/571040984.db2.gz VDAIFANXYRXOQG-UZUQRXQVSA-N 0 1 358.485 4.636 50 0 FJAAMN Cc1ccc2nc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)[nH]c2c1 ZINC000008686415 571054909 /nfs/dbraw/zinc/05/49/09/571054909.db2.gz UUGOZJOHEGMUGL-YOEHRIQHSA-N 0 1 365.502 4.546 50 0 aggregator FJAAMN CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000039143241 571060303 /nfs/dbraw/zinc/06/03/03/571060303.db2.gz AYVXWNDWJXSNJK-AVRDEDQJSA-N 0 1 350.506 4.798 50 0 FJAAMN FC(F)(F)c1cnc(Sc2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000012741932 571063753 /nfs/dbraw/zinc/06/37/53/571063753.db2.gz CNAZSVWVICFQAI-UHFFFAOYSA-N 0 1 356.760 4.690 50 0 FJAAMN CN(C)[C@H](CNC(=O)c1ccccc1Oc1ccccc1)c1cccs1 ZINC000032970913 571077621 /nfs/dbraw/zinc/07/76/21/571077621.db2.gz XGNYQLIWMGGXIP-GOSISDBHSA-N 0 1 366.486 4.573 50 0 FJAAMN Fc1cccc(Cl)c1COc1ccc(CNCc2ccccn2)cc1 ZINC000040722903 571093678 /nfs/dbraw/zinc/09/36/78/571093678.db2.gz CJPOELWRULHRTL-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000009750869 571118640 /nfs/dbraw/zinc/11/86/40/571118640.db2.gz QQCXTGJUQOEDBC-OAHLLOKOSA-N 0 1 368.264 4.545 50 0 FJAAMN Cc1ccc(C)c(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010139765 571123091 /nfs/dbraw/zinc/12/30/91/571123091.db2.gz UESPBOZZPJIUEC-UHFFFAOYSA-N 0 1 361.489 4.603 50 0 FJAAMN COc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1 ZINC000015863867 571139332 /nfs/dbraw/zinc/13/93/32/571139332.db2.gz ISXFNYKADVNJIT-UHFFFAOYSA-N 0 1 371.440 4.609 50 0 FJAAMN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000520462392 571147181 /nfs/dbraw/zinc/14/71/81/571147181.db2.gz NOHNYFLGJVMVOQ-QGZVFWFLSA-N 0 1 357.910 4.981 50 0 FJAAMN Cc1cccc2nc(-c3cn(-c4ccccc4)nc3-c3ccncc3)[nH]c21 ZINC000067947590 571152240 /nfs/dbraw/zinc/15/22/40/571152240.db2.gz LEZVTRKSRBVZAI-UHFFFAOYSA-N 0 1 351.413 4.786 50 0 FJAAMN CCCN1CCc2[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)cc3c2C1 ZINC000075344374 571161692 /nfs/dbraw/zinc/16/16/92/571161692.db2.gz KALPGNDSCLTLST-UHFFFAOYSA-N 0 1 366.440 4.719 50 0 FJAAMN COc1ccc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 ZINC000012531774 571175222 /nfs/dbraw/zinc/17/52/22/571175222.db2.gz FYTFHHZCQDMWEC-VIFPVBQESA-N 0 1 358.448 4.536 50 0 FJAAMN COc1ccccc1-c1ncc(CN2CCC[C@@H]2c2ccccn2)s1 ZINC000072162626 571176152 /nfs/dbraw/zinc/17/61/52/571176152.db2.gz FWTDAONVKRWIMG-GOSISDBHSA-N 0 1 351.475 4.551 50 0 FJAAMN Fc1ccc2nc([C@H]3CCCN3Cc3cncn3C3CCCCC3)[nH]c2c1 ZINC000072172396 571177690 /nfs/dbraw/zinc/17/76/90/571177690.db2.gz OWWPEDFCBXEULO-HXUWFJFHSA-N 0 1 367.472 4.741 50 0 FJAAMN CC(C)c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]n2)cc1 ZINC000035504140 571178346 /nfs/dbraw/zinc/17/83/46/571178346.db2.gz YAAJTRWCUPYWTO-UHFFFAOYSA-N 0 1 374.400 4.646 50 0 FJAAMN CCCCc1nc2ccccc2c(NC(=O)CN(CC)CC)c1CCC ZINC000006351876 571182518 /nfs/dbraw/zinc/18/25/18/571182518.db2.gz ZMCZDXYYRSXHPV-UHFFFAOYSA-N 0 1 355.526 4.810 50 0 FJAAMN CC(C)c1nc2ccc(CCC(=O)NCc3cccc(Cl)c3)cc2[nH]1 ZINC000075478721 571188809 /nfs/dbraw/zinc/18/88/09/571188809.db2.gz YZPSSJHIEYIYRE-UHFFFAOYSA-N 0 1 355.869 4.589 50 0 FJAAMN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccccc1)CC2 ZINC000012603175 571190135 /nfs/dbraw/zinc/19/01/35/571190135.db2.gz DTMDQGQIAKLKNM-DEOSSOPVSA-N 0 1 359.469 4.852 50 0 FJAAMN Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012605254 571190335 /nfs/dbraw/zinc/19/03/35/571190335.db2.gz LLNGVXQEJYWUBV-UHFFFAOYSA-N 0 1 363.788 4.776 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)[nH]c2c1 ZINC000006813340 571247949 /nfs/dbraw/zinc/24/79/49/571247949.db2.gz PCIIRKJNOBZGIB-UHFFFAOYSA-N 0 1 366.273 4.909 50 0 FJAAMN CC(C)c1ccc(C[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C2CC2)cc1 ZINC000036384773 571251263 /nfs/dbraw/zinc/25/12/63/571251263.db2.gz ISQVQKGIUDJPLR-UHFFFAOYSA-N 0 1 353.491 4.685 50 0 FJAAMN CCN(CC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000036392976 571252799 /nfs/dbraw/zinc/25/27/99/571252799.db2.gz CKFRHJHSNKIGLB-SFHVURJKSA-N 0 1 354.494 4.642 50 0 FJAAMN Cc1ccc2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)cn2c1 ZINC000007488219 571266144 /nfs/dbraw/zinc/26/61/44/571266144.db2.gz GVZJBTLIRXJQQF-INIZCTEOSA-N 0 1 362.502 4.632 50 0 FJAAMN Cc1ccc(Cl)cc1NC(=O)c1c(C(F)(F)F)n[nH]c1C(F)(F)F ZINC000078964404 571326499 /nfs/dbraw/zinc/32/64/99/571326499.db2.gz MJLNKMOGKVLXMJ-UHFFFAOYSA-N 0 1 371.668 4.661 50 0 FJAAMN CC(=O)c1cccc(NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)c1 ZINC000057413158 571343323 /nfs/dbraw/zinc/34/33/23/571343323.db2.gz BZWAEPMWIPOFGI-UHFFFAOYSA-N 0 1 355.397 4.685 50 0 FJAAMN COc1ccc(Cc2n[nH]c(=S)n2-c2ccc(C(C)C)cc2)cc1OC ZINC000001045987 219357669 /nfs/dbraw/zinc/35/76/69/219357669.db2.gz VUPVRESFHVYIHU-UHFFFAOYSA-N 0 1 369.490 4.661 50 0 FJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C1c2ccccc2Oc2ccccc21 ZINC000000948667 209384144 /nfs/dbraw/zinc/38/41/44/209384144.db2.gz QHXPMLIGHUTSRD-NRFANRHFSA-N 0 1 354.409 4.963 50 0 FJAAMN CN(CC(=O)Nc1ccc(Br)cc1Cl)CC1CCCCC1 ZINC000048324050 209331283 /nfs/dbraw/zinc/33/12/83/209331283.db2.gz AOEKRLODWQLNAK-UHFFFAOYSA-N 0 1 373.722 4.553 50 0 FJAAMN O=C(CCCSc1nc(C=Cc2cccs2)n[nH]1)c1ccc(F)cc1 ZINC000098003204 209202208 /nfs/dbraw/zinc/20/22/08/209202208.db2.gz IYAOUZNHURGTJV-KTKRTIGZSA-N 0 1 373.478 4.931 50 0 FJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1Cl ZINC000012533676 220003784 /nfs/dbraw/zinc/00/37/84/220003784.db2.gz QUBWPAYRDKQTCE-UHFFFAOYSA-N 0 1 352.246 4.601 50 0 FJAAMN CC(=O)c1cccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 ZINC000012572099 220007865 /nfs/dbraw/zinc/00/78/65/220007865.db2.gz HYOJDFKTIFXSFW-ZDUSSCGKSA-N 0 1 369.415 4.512 50 0 FJAAMN Cc1ccc2nc(SCc3cn4cc(Br)ccc4n3)[nH]c2c1 ZINC000012583391 220010053 /nfs/dbraw/zinc/01/00/53/220010053.db2.gz LFPLZIRCNDAZSR-UHFFFAOYSA-N 0 1 373.279 4.574 50 0 FJAAMN C[C@@H](NCc1cccs1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000012739481 220023614 /nfs/dbraw/zinc/02/36/14/220023614.db2.gz VNCYFFCZTQQDOM-GFCCVEGCSA-N 0 1 367.499 4.564 50 0 FJAAMN COc1ccccc1[C@H](C)NCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000012945612 220046057 /nfs/dbraw/zinc/04/60/57/220046057.db2.gz CFYXXMHHWFMBJC-KRWDZBQOSA-N 0 1 363.505 4.716 50 0 FJAAMN O=C(CSc1nc(C2CCCC2)n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000012984391 220049343 /nfs/dbraw/zinc/04/93/43/220049343.db2.gz JEOPFIGEOHTHEG-UHFFFAOYSA-N 0 1 356.278 4.744 50 0 FJAAMN O=C(CSc1n[nH]c(C2CCCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000012984391 220049346 /nfs/dbraw/zinc/04/93/46/220049346.db2.gz JEOPFIGEOHTHEG-UHFFFAOYSA-N 0 1 356.278 4.744 50 0 FJAAMN Cc1sc2[nH]c([C@@H](C)N[C@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137087 220110036 /nfs/dbraw/zinc/11/00/36/220110036.db2.gz BQKLUWSPPHHPNO-GHMZBOCLSA-N 0 1 361.898 4.667 50 0 FJAAMN O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2ccccc2c1 ZINC000004548526 207027189 /nfs/dbraw/zinc/02/71/89/207027189.db2.gz HTOQAJSBFFDWAC-UHFFFAOYSA-N 0 1 351.349 4.659 50 0 FJAAMN CCc1ccc(CNc2ncc(-c3ccc(F)cc3)n2CCOC)cc1 ZINC000004679281 207037136 /nfs/dbraw/zinc/03/71/36/207037136.db2.gz GBJBSOWDUCHUIZ-UHFFFAOYSA-N 0 1 353.441 4.510 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)c(O)c1C ZINC000005343562 207093911 /nfs/dbraw/zinc/09/39/11/207093911.db2.gz WITILLZABNUVRW-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN Cc1cc(C)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)c(O)c1 ZINC000005343727 207094181 /nfs/dbraw/zinc/09/41/81/207094181.db2.gz OSUYWRIOUBBAAQ-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN Cc1ccc(CSc2nc(=O)c3sc4nc(C)cc(C)c4c3[nH]2)cc1 ZINC000005646468 207110884 /nfs/dbraw/zinc/11/08/84/207110884.db2.gz WXRGBIFCPCIXLW-UHFFFAOYSA-N 0 1 367.499 4.750 50 0 FJAAMN c1csc(-c2n[nH]c(SCc3csc(-c4ccccc4)n3)n2)c1 ZINC000006139906 207130320 /nfs/dbraw/zinc/13/03/20/207130320.db2.gz XGYBZAGCTWLSSZ-UHFFFAOYSA-N 0 1 356.501 4.949 50 0 FJAAMN O=S(=O)(Nc1cccc2ccccc21)c1cccc(Cl)c1Cl ZINC000006317234 207137345 /nfs/dbraw/zinc/13/73/45/207137345.db2.gz VCQFXNIDGRLFTD-UHFFFAOYSA-N 0 1 352.242 4.947 50 0 FJAAMN CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000008130045 207220901 /nfs/dbraw/zinc/22/09/01/207220901.db2.gz JWQDEPDPMKKZMA-UHFFFAOYSA-N 0 1 363.788 4.722 50 0 FJAAMN Brc1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1 ZINC000009002131 207255268 /nfs/dbraw/zinc/25/52/68/207255268.db2.gz DWESXDFWUVFAMH-UHFFFAOYSA-N 0 1 373.235 4.618 50 0 FJAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000009942402 207290206 /nfs/dbraw/zinc/29/02/06/207290206.db2.gz WHHMJIONZDYBBW-UHFFFAOYSA-N 0 1 370.541 4.807 50 0 FJAAMN CC[C@@H](C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc3ccccc32)C1 ZINC000012242382 207351510 /nfs/dbraw/zinc/35/15/10/207351510.db2.gz SEEAGKFBAOHZCY-AEFFLSMTSA-N 0 1 361.489 4.982 50 0 FJAAMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000012550638 207391624 /nfs/dbraw/zinc/39/16/24/207391624.db2.gz LACWNIZNMRKGLN-UHFFFAOYSA-N 0 1 360.244 4.656 50 0 FJAAMN CCc1ccc(C(=O)CSc2nc(C=Cc3ccccc3)n[nH]2)s1 ZINC000032789387 208042774 /nfs/dbraw/zinc/04/27/74/208042774.db2.gz XPGUNAAACLEOSP-DHZHZOJOSA-N 0 1 355.488 4.574 50 0 FJAAMN C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)c1ccc(Cl)cc1 ZINC000032789367 208043063 /nfs/dbraw/zinc/04/30/63/208043063.db2.gz DOHUOAZQYMWXGJ-BWODNOAJSA-N 0 1 369.877 4.992 50 0 FJAAMN COc1ccc(-c2n[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000032919394 208056371 /nfs/dbraw/zinc/05/63/71/208056371.db2.gz ORYCFJMDMRUBLG-UHFFFAOYSA-N 0 1 367.352 4.504 50 0 FJAAMN O=C(Cc1ccccc1)Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1 ZINC000034793662 208108236 /nfs/dbraw/zinc/10/82/36/208108236.db2.gz LCLOOQKHIISIPF-UHFFFAOYSA-N 0 1 351.837 4.789 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1cccc(F)c1 ZINC000034793685 208109622 /nfs/dbraw/zinc/10/96/22/208109622.db2.gz NAZFUPXBAWJYNI-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN Cc1c(F)cccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000040478310 208255030 /nfs/dbraw/zinc/25/50/30/208255030.db2.gz CFEWSNTYJGSPIM-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN Cc1ccccc1COc1ccc(Cl)cc1CNCc1ccncc1 ZINC000040743022 208268825 /nfs/dbraw/zinc/26/88/25/208268825.db2.gz PGURQBPGBHILEB-UHFFFAOYSA-N 0 1 352.865 4.912 50 0 FJAAMN c1ccc(-c2ccc(-c3n[nH]c4c3CN([C@H]3CCSC3)CC4)cc2)cc1 ZINC000019782049 220296252 /nfs/dbraw/zinc/29/62/52/220296252.db2.gz UPFVSNIYMCQBOE-IBGZPJMESA-N 0 1 361.514 4.607 50 0 FJAAMN COc1cc(CN2CCC[C@H]2c2c(C)noc2C)ccc1OCC(C)C ZINC000021720325 220365126 /nfs/dbraw/zinc/36/51/26/220365126.db2.gz TUEQPMSEVDXHLM-SFHVURJKSA-N 0 1 358.482 4.672 50 0 FJAAMN CC[C@H](C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 ZINC000022619737 220392399 /nfs/dbraw/zinc/39/23/99/220392399.db2.gz VPRVWFIOXRTXLG-GHTZIAJQSA-N 0 1 370.924 4.787 50 0 FJAAMN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000022776721 220398510 /nfs/dbraw/zinc/39/85/10/220398510.db2.gz JTPANBOUNKKHGC-NSHDSACASA-N 0 1 370.276 4.870 50 0 FJAAMN Cc1ccc2nc(C)c(C)c(C(=O)N(C)Cc3nc4cccc(C)c4[nH]3)c2c1 ZINC000095497855 209060123 /nfs/dbraw/zinc/06/01/23/209060123.db2.gz XRUAKRBGUAHJAF-UHFFFAOYSA-N 0 1 372.472 4.617 50 0 FJAAMN Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000057470803 221089296 /nfs/dbraw/zinc/08/92/96/221089296.db2.gz DTCOOPGRQHHQRT-UZLBHIALSA-N 0 1 350.487 4.763 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]n2)cc1 ZINC000057477053 221089590 /nfs/dbraw/zinc/08/95/90/221089590.db2.gz UYYXLJNGGVZMNT-UHFFFAOYSA-N 0 1 361.323 4.536 50 0 FJAAMN Cc1cccc(NC(=O)[C@@H](C)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000057508880 221090696 /nfs/dbraw/zinc/09/06/96/221090696.db2.gz MCSDSTUYZNWAHN-UZLBHIALSA-N 0 1 350.487 4.763 50 0 FJAAMN CCOc1ccc([C@H]2CCCN2CC(=O)N(CC)c2ccccc2C)cc1 ZINC000058029508 221097723 /nfs/dbraw/zinc/09/77/23/221097723.db2.gz VOPCRLRZMJNYFB-JOCHJYFZSA-N 0 1 366.505 4.584 50 0 FJAAMN C[C@@H](c1cccs1)N(C)Cc1cccc(C(=O)Nc2ccncc2F)c1 ZINC000067867524 221297094 /nfs/dbraw/zinc/29/70/94/221297094.db2.gz RICKMYFOEPKRGH-AWEZNQCLSA-N 0 1 369.465 4.728 50 0 FJAAMN Cc1ccc(C2(O)CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nc1 ZINC000071315023 221341224 /nfs/dbraw/zinc/34/12/24/221341224.db2.gz SRVSPKRHVYVPPJ-UHFFFAOYSA-N 0 1 374.484 4.666 50 0 FJAAMN Cc1nc(C(C)C)sc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000071839310 221381599 /nfs/dbraw/zinc/38/15/99/221381599.db2.gz JGFIZHPOOTWFIO-HNNXBMFYSA-N 0 1 370.478 4.555 50 0 FJAAMN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCCc2cc(F)c(F)cc21 ZINC000058457162 136131834 /nfs/dbraw/zinc/13/18/34/136131834.db2.gz UFIXPPYPAHEFSH-UHFFFAOYSA-N 0 1 373.790 4.601 50 0 FJAAMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000059369978 136132108 /nfs/dbraw/zinc/13/21/08/136132108.db2.gz WELKZOGJWUTYHD-LJQANCHMSA-N 0 1 370.496 4.734 50 0 FJAAMN CCC(=O)N(c1cccc(C)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000096236570 222093741 /nfs/dbraw/zinc/09/37/41/222093741.db2.gz QPGARXGKGDFGBZ-UHFFFAOYSA-N 0 1 354.469 4.542 50 0 FJAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccn1C ZINC000101682015 222280989 /nfs/dbraw/zinc/28/09/89/222280989.db2.gz QLTCMICEMXVEGB-OAQYLSRUSA-N 0 1 363.461 4.838 50 0 FJAAMN CCCOc1c(CNCc2cccs2)cc(Br)cc1OC ZINC000020934166 520291656 /nfs/dbraw/zinc/29/16/56/520291656.db2.gz LAQOSELQNKGHSK-UHFFFAOYSA-N 0 1 370.312 4.598 50 0 FJAAMN COc1ccccc1CNCc1cc2ccccc2nc1N1CCCCC1 ZINC000058007863 537048028 /nfs/dbraw/zinc/04/80/28/537048028.db2.gz GWAXBMGHRBRTPQ-UHFFFAOYSA-N 0 1 361.489 4.524 50 0 FJAAMN Cc1cccc2nc(CCNC(=O)[C@@H](c3ccccc3)C3CCCC3)[nH]c21 ZINC000215558300 568076806 /nfs/dbraw/zinc/07/68/06/568076806.db2.gz LXLUBYHPCQSNKA-NRFANRHFSA-N 0 1 361.489 4.504 50 0 FJAAMN Cc1cn[nH]c1C1CCN(C(=O)Nc2ccc(Cl)c(C)c2Cl)CC1 ZINC000095504841 570463847 /nfs/dbraw/zinc/46/38/47/570463847.db2.gz HRNGFCLFUVWSHX-UHFFFAOYSA-N 0 1 367.280 4.745 50 0 FJAAMN COc1ccccc1Nc1snc2[nH]c(C(=O)c3ccc(C)cc3)cc21 ZINC000001025409 570472112 /nfs/dbraw/zinc/47/21/12/570472112.db2.gz SFDBQLCWOZUEHD-UHFFFAOYSA-N 0 1 363.442 4.916 50 0 FJAAMN O=C([C@H](c1ccccc1)N1CCC[C@H]1c1cccs1)N1CCCCC1 ZINC000247809019 570492174 /nfs/dbraw/zinc/49/21/74/570492174.db2.gz DBSOKDODALVEDE-ICSRJNTNSA-N 0 1 354.519 4.639 50 0 FJAAMN O=S(=O)(Nc1cccc2ccccc21)c1cc(Cl)ccc1Cl ZINC000001205704 570492416 /nfs/dbraw/zinc/49/24/16/570492416.db2.gz AVWZDSNQQADYRF-UHFFFAOYSA-N 0 1 352.242 4.947 50 0 FJAAMN COc1ccc([C@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000001609104 570502942 /nfs/dbraw/zinc/50/29/42/570502942.db2.gz YBWUFNOXFGTPPO-HXUWFJFHSA-N 0 1 350.487 4.619 50 0 FJAAMN O=C([C@@H](c1ccccc1)N1CCC[C@@H]1c1cccs1)N1CCCCC1 ZINC000084519405 570517210 /nfs/dbraw/zinc/51/72/10/570517210.db2.gz DBSOKDODALVEDE-UYAOXDASSA-N 0 1 354.519 4.639 50 0 FJAAMN COc1cc(C)ccc1CN[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000119843651 570522971 /nfs/dbraw/zinc/52/29/71/570522971.db2.gz RARWUPAPYHRMAL-CQSZACIVSA-N 0 1 353.491 4.681 50 0 FJAAMN COc1cc(C)ccc1CN[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000119843545 570523007 /nfs/dbraw/zinc/52/30/07/570523007.db2.gz RARWUPAPYHRMAL-AWEZNQCLSA-N 0 1 353.491 4.681 50 0 FJAAMN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000002882067 570542396 /nfs/dbraw/zinc/54/23/96/570542396.db2.gz UDAWVHFSOVLDOH-UHFFFAOYSA-N 0 1 367.898 4.971 50 0 FJAAMN CCCCN(CC)c1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000005024564 570575837 /nfs/dbraw/zinc/57/58/37/570575837.db2.gz OMALIHRRGXSNHV-UHFFFAOYSA-N 0 1 351.450 4.637 50 0 FJAAMN CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1ccccc1Cl ZINC000004270104 570582371 /nfs/dbraw/zinc/58/23/71/570582371.db2.gz CWZVLSCPBKADAJ-FQEVSTJZSA-N 0 1 372.896 4.746 50 0 FJAAMN Fc1ccccc1OCCSc1nc2ccc(Br)cc2[nH]1 ZINC000004418670 570590767 /nfs/dbraw/zinc/59/07/67/570590767.db2.gz DMYPGWGCMQDSIO-UHFFFAOYSA-N 0 1 367.243 4.636 50 0 FJAAMN CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)cc1 ZINC000011917268 570601879 /nfs/dbraw/zinc/60/18/79/570601879.db2.gz WDIRJLMHWHERNY-HXUWFJFHSA-N 0 1 374.912 4.552 50 0 FJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000005423633 570654100 /nfs/dbraw/zinc/65/41/00/570654100.db2.gz HYWPIDHLCBKOFI-JKSUJKDBSA-N 0 1 357.866 4.863 50 0 FJAAMN COc1cccc(-n2c(=S)[nH]nc2[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000005423629 570654266 /nfs/dbraw/zinc/65/42/66/570654266.db2.gz HYWPIDHLCBKOFI-HZPDHXFCSA-N 0 1 357.866 4.863 50 0 FJAAMN Cc1cc(Nc2ccncc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000007572468 570666861 /nfs/dbraw/zinc/66/68/61/570666861.db2.gz GYDMDAKRJBCFOP-UHFFFAOYSA-N 0 1 369.350 4.862 50 0 FJAAMN Brc1ccccc1CSc1nc(-c2cccs2)n[nH]1 ZINC000005017914 570676832 /nfs/dbraw/zinc/67/68/32/570676832.db2.gz OCNZHYRHKSRAEN-UHFFFAOYSA-N 0 1 352.282 4.588 50 0 FJAAMN COc1ccc(-c2n[nH]cc2CN[C@@H](C)c2ccccc2Cl)cc1F ZINC000011664179 570704684 /nfs/dbraw/zinc/70/46/84/570704684.db2.gz LXOJPRHLKHXCPE-LBPRGKRZSA-N 0 1 359.832 4.729 50 0 FJAAMN Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cc(C(C)C)[nH]n2)C1 ZINC000012299669 570733350 /nfs/dbraw/zinc/73/33/50/570733350.db2.gz GXBJBEBSBIMMHB-HNNXBMFYSA-N 0 1 359.901 4.590 50 0 FJAAMN CC(C)c1cc(CN2CCC[C@H](C(=O)c3cccc4ccccc43)C2)n[nH]1 ZINC000012302751 570734403 /nfs/dbraw/zinc/73/44/03/570734403.db2.gz VCIYIPVUIWFZJH-SFHVURJKSA-N 0 1 361.489 4.781 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3Cl)[nH]c2c1 ZINC000012971092 570768668 /nfs/dbraw/zinc/76/86/68/570768668.db2.gz XTHKMKSLLDQIDN-UHFFFAOYSA-N 0 1 366.273 4.909 50 0 FJAAMN O=C(CN1CCCCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013061894 570772887 /nfs/dbraw/zinc/77/28/87/570772887.db2.gz CNPSMQPXDPPVIZ-UHFFFAOYSA-N 0 1 368.321 4.539 50 0 FJAAMN Oc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000013122247 570773931 /nfs/dbraw/zinc/77/39/31/570773931.db2.gz DCNNGRWVSZGDQX-UHFFFAOYSA-N 0 1 352.397 4.993 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000015070577 570831655 /nfs/dbraw/zinc/83/16/55/570831655.db2.gz PPEIFBWMCASMCQ-OAHLLOKOSA-N 0 1 371.406 4.874 50 0 FJAAMN O=C(CCCSc1nc(C=Cc2cccs2)n[nH]1)c1ccc(F)cc1 ZINC000014809463 570861002 /nfs/dbraw/zinc/86/10/02/570861002.db2.gz IYAOUZNHURGTJV-MDZDMXLPSA-N 0 1 373.478 4.931 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)[nH]n2)cc1 ZINC000051315525 570863762 /nfs/dbraw/zinc/86/37/62/570863762.db2.gz MBEQQPJXAUGIFY-UHFFFAOYSA-N 0 1 355.825 4.690 50 0 FJAAMN COc1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000017903912 570874347 /nfs/dbraw/zinc/87/43/47/570874347.db2.gz VNQCMEQTUOJJBX-UHFFFAOYSA-N 0 1 371.440 4.728 50 0 FJAAMN Cc1ccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 ZINC000019300635 570885282 /nfs/dbraw/zinc/88/52/82/570885282.db2.gz OBANDSKBWSHPTK-LJQANCHMSA-N 0 1 353.441 4.716 50 0 FJAAMN Cc1ccc(F)c(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000044837548 570900410 /nfs/dbraw/zinc/90/04/10/570900410.db2.gz HNHWRAABZOXSSD-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)cc1Cl ZINC000025041637 570989169 /nfs/dbraw/zinc/98/91/69/570989169.db2.gz QHASNAQHKPTAMI-UHFFFAOYSA-N 0 1 362.216 4.644 50 0 FJAAMN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc4ccccc4c3)[nH]n2)c1 ZINC000072238540 570993314 /nfs/dbraw/zinc/99/33/14/570993314.db2.gz WTDQZEIMGFJWLK-UHFFFAOYSA-N 0 1 357.413 4.805 50 0 FJAAMN O=C(NC[C@H](c1cccs1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027742416 571019633 /nfs/dbraw/zinc/01/96/33/571019633.db2.gz NFHNOBOWPGKEFF-RQJZOYDLSA-N 0 1 372.578 4.608 50 0 FJAAMN COCCNCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427719 571026592 /nfs/dbraw/zinc/02/65/92/571026592.db2.gz RFAFSRXWANRFFR-UHFFFAOYSA-N 0 1 354.277 4.617 50 0 FJAAMN COc1ccc2c(c1OC)CC[C@H]2Nc1ccc(Cl)c(CN(C)C)c1 ZINC000225604896 571048833 /nfs/dbraw/zinc/04/88/33/571048833.db2.gz JWYJXSIKQGYAOW-GOSISDBHSA-N 0 1 360.885 4.518 50 0 FJAAMN CCCOc1ccc2[nH]c(C)c(CN3CCc4ccccc4C3)c(=O)c2c1 ZINC000008572522 571050643 /nfs/dbraw/zinc/05/06/43/571050643.db2.gz QULIAZYJRWAHRE-UHFFFAOYSA-N 0 1 362.473 4.596 50 0 FJAAMN FC(F)Oc1ccccc1CNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000040039055 571069495 /nfs/dbraw/zinc/06/94/95/571069495.db2.gz GWJBUTUCBNEMLU-UHFFFAOYSA-N 0 1 363.795 4.621 50 0 FJAAMN CC[C@H](Nc1ncnc2scc(-c3ccc(C)cc3)c21)c1n[nH]c(C)n1 ZINC000072310998 571070935 /nfs/dbraw/zinc/07/09/35/571070935.db2.gz PCVIZWPIVKODMK-HNNXBMFYSA-N 0 1 364.478 4.656 50 0 FJAAMN Cc1ccc(C(=O)C2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000040086189 571073591 /nfs/dbraw/zinc/07/35/91/571073591.db2.gz QZPPATDVCPDQJC-OAQYLSRUSA-N 0 1 371.908 4.585 50 0 FJAAMN CC(C)(C)CC(C)(C)NCc1nc(-c2cc(Br)cs2)no1 ZINC000084169682 571077006 /nfs/dbraw/zinc/07/70/06/571077006.db2.gz OMVIUBMWTSPUHF-UHFFFAOYSA-N 0 1 372.332 4.865 50 0 FJAAMN CCOc1cc(CNCc2ccccn2)ccc1OCc1ccccc1C ZINC000040736798 571094917 /nfs/dbraw/zinc/09/49/17/571094917.db2.gz FOYJWKORGNHJPS-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(Br)c1 ZINC000040478368 571098324 /nfs/dbraw/zinc/09/83/24/571098324.db2.gz WMGLIERKAFTZPC-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040478353 571098365 /nfs/dbraw/zinc/09/83/65/571098365.db2.gz KXUQCIHKJYGDNL-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN CCN(Cc1ccncc1)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000009849533 571120150 /nfs/dbraw/zinc/12/01/50/571120150.db2.gz GRKOBHUYGYKMLJ-UHFFFAOYSA-N 0 1 362.473 4.691 50 0 FJAAMN Fc1ccccc1-c1n[nH]c(SCc2cccc(Br)c2)n1 ZINC000009837303 571120183 /nfs/dbraw/zinc/12/01/83/571120183.db2.gz SSASZFNLYDSYCX-UHFFFAOYSA-N 0 1 364.243 4.666 50 0 FJAAMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC ZINC000058161829 571126293 /nfs/dbraw/zinc/12/62/93/571126293.db2.gz ISIHBRKYZWNOQJ-ULQDDVLXSA-N 0 1 354.494 4.887 50 0 FJAAMN COc1ccccc1[C@@H](C)NCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000012945608 571153419 /nfs/dbraw/zinc/15/34/19/571153419.db2.gz CFYXXMHHWFMBJC-QGZVFWFLSA-N 0 1 363.505 4.716 50 0 FJAAMN O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)N1CCCC1 ZINC000004673434 571157193 /nfs/dbraw/zinc/15/71/93/571157193.db2.gz RKHIVZHOQCRVEA-DEOSSOPVSA-N 0 1 370.496 4.729 50 0 FJAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000006256297 571168451 /nfs/dbraw/zinc/16/84/51/571168451.db2.gz CVXBKKMAHLCGKW-INIZCTEOSA-N 0 1 361.898 4.597 50 0 FJAAMN Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(C)c1 ZINC000006315782 571177385 /nfs/dbraw/zinc/17/73/85/571177385.db2.gz YANQQHMZHBRNCP-UHFFFAOYSA-N 0 1 374.687 4.520 50 0 FJAAMN COc1ccc(Cl)cc1NC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000075478750 571188961 /nfs/dbraw/zinc/18/89/61/571188961.db2.gz INIUAIQTYUCGKX-UHFFFAOYSA-N 0 1 371.868 4.920 50 0 FJAAMN CCn1c(-c2cc(NC(=O)Cc3ccccc3C)[nH]n2)cc2ccccc21 ZINC000075544371 571197153 /nfs/dbraw/zinc/19/71/53/571197153.db2.gz CBILLETZCYOPBJ-UHFFFAOYSA-N 0 1 358.445 4.541 50 0 FJAAMN CCn1c(-c2cc(NC(=O)Cc3ccc(C)cc3)[nH]n2)cc2ccccc21 ZINC000075558607 571200449 /nfs/dbraw/zinc/20/04/49/571200449.db2.gz RCYQXMACOSINAM-UHFFFAOYSA-N 0 1 358.445 4.541 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccsc2)[nH]n1 ZINC000075558790 571200543 /nfs/dbraw/zinc/20/05/43/571200543.db2.gz SPCJYWDMGUMCSX-UHFFFAOYSA-N 0 1 350.447 4.674 50 0 FJAAMN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)c1 ZINC000072427509 571202171 /nfs/dbraw/zinc/20/21/71/571202171.db2.gz URDOCEMZZHLVIU-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN COc1cccc(-c2n[nH]cc2CN2CCC[C@H]2c2cc(C(C)C)no2)c1 ZINC000075448655 571203287 /nfs/dbraw/zinc/20/32/87/571203287.db2.gz SCTVSFLZPJVFMB-IBGZPJMESA-N 0 1 366.465 4.534 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ccco3)n[nH]2)s1 ZINC000082125697 571228878 /nfs/dbraw/zinc/22/88/78/571228878.db2.gz PIKSOCDGFNIXQP-MRXNPFEDSA-N 0 1 355.463 4.797 50 0 FJAAMN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1nc2cccc(C)c2[nH]1 ZINC000091365001 571239201 /nfs/dbraw/zinc/23/92/01/571239201.db2.gz ZWCFWPBDOQFYPE-OAHLLOKOSA-N 0 1 368.506 4.737 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccccc4)CC3)n[nH]2)cc1C ZINC000006943175 571255400 /nfs/dbraw/zinc/25/54/00/571255400.db2.gz PGGIADBTWYXLMK-UHFFFAOYSA-N 0 1 357.457 4.623 50 0 FJAAMN Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000007052198 571259464 /nfs/dbraw/zinc/25/94/64/571259464.db2.gz APDGVMYUUZGXAV-UHFFFAOYSA-N 0 1 374.687 4.520 50 0 FJAAMN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C ZINC000065322296 571261643 /nfs/dbraw/zinc/26/16/43/571261643.db2.gz FEVVLOYDFQLKAZ-UHFFFAOYSA-N 0 1 370.541 4.978 50 0 FJAAMN COc1ccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)sc2C)cc1 ZINC000076020630 571273756 /nfs/dbraw/zinc/27/37/56/571273756.db2.gz ILOBSIMZKWTMJD-UHFFFAOYSA-N 0 1 362.458 4.503 50 0 FJAAMN COc1ccc(-c2nc(Cc3n[nH]c(-c4ccccc4)n3)sc2C)cc1 ZINC000076020630 571273757 /nfs/dbraw/zinc/27/37/57/571273757.db2.gz ILOBSIMZKWTMJD-UHFFFAOYSA-N 0 1 362.458 4.503 50 0 FJAAMN O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 ZINC000007620746 571284464 /nfs/dbraw/zinc/28/44/64/571284464.db2.gz WJTWKVCMFCXHSC-LJQANCHMSA-N 0 1 369.534 4.514 50 0 FJAAMN Clc1ccc(OCCCSc2nc(-c3cccs3)n[nH]2)cc1 ZINC000007829419 571290079 /nfs/dbraw/zinc/29/00/79/571290079.db2.gz MIMCKNFUDVSOJN-UHFFFAOYSA-N 0 1 351.884 4.748 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(N(C)C3CCCCC3)n2)c1O ZINC000002238160 571293247 /nfs/dbraw/zinc/29/32/47/571293247.db2.gz SMNZMUDNYWPHSS-UHFFFAOYSA-N 0 1 363.461 4.780 50 0 FJAAMN O[C@@H](CN1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000095353005 571328952 /nfs/dbraw/zinc/32/89/52/571328952.db2.gz OMXZPAKUEDUQIB-FPOVZHCZSA-N 0 1 371.452 4.707 50 0 FJAAMN O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000057398977 571343038 /nfs/dbraw/zinc/34/30/38/571343038.db2.gz KJMFZPIBOFHPNZ-KRWDZBQOSA-N 0 1 362.395 4.713 50 0 FJAAMN O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000057398977 571343039 /nfs/dbraw/zinc/34/30/39/571343039.db2.gz KJMFZPIBOFHPNZ-KRWDZBQOSA-N 0 1 362.395 4.713 50 0 FJAAMN Cc1ccc(N2[C@@H]3CCCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000003196802 571345401 /nfs/dbraw/zinc/34/54/01/571345401.db2.gz QKBJYJLZSLIWFC-RTWAWAEBSA-N 0 1 356.897 4.516 50 0 FJAAMN CCC(=O)Nc1ccc([C@@H](C)NCc2ccccc2Br)cc1 ZINC000030640445 571347104 /nfs/dbraw/zinc/34/71/04/571347104.db2.gz LXOXERHWHOUPEK-CYBMUJFWSA-N 0 1 361.283 4.648 50 0 FJAAMN CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126660 571359159 /nfs/dbraw/zinc/35/91/59/571359159.db2.gz ONTRIUKBHNWJAM-SFHVURJKSA-N 0 1 363.288 4.941 50 0 FJAAMN O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1 ZINC000001091266 219368915 /nfs/dbraw/zinc/36/89/15/219368915.db2.gz XFNLVHMZPNIKKD-QPEQYQDCSA-N 0 1 366.225 4.940 50 0 FJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000007275923 219798169 /nfs/dbraw/zinc/79/81/69/219798169.db2.gz QKLMFWKDGOWBSV-HOTGVXAUSA-N 0 1 357.866 4.863 50 0 FJAAMN COC(=O)c1ccc2nc(C)cc(Nc3ccc(Br)cc3)c2c1 ZINC000000949574 209385045 /nfs/dbraw/zinc/38/50/45/209385045.db2.gz DAXNDRXPLLVNAO-UHFFFAOYSA-N 0 1 371.234 4.836 50 0 FJAAMN CCCCN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1-c1nnc[nH]1 ZINC000097742810 209194174 /nfs/dbraw/zinc/19/41/74/209194174.db2.gz IUDYPBMSEGSKPV-UHFFFAOYSA-N 0 1 368.868 4.568 50 0 FJAAMN COCCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(C)C ZINC000012576685 220009992 /nfs/dbraw/zinc/00/99/92/220009992.db2.gz WNZVPJVQVLLPIF-UHFFFAOYSA-N 0 1 356.388 4.526 50 0 FJAAMN Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@H]2c2c(C)noc2C)n1 ZINC000097347510 209178776 /nfs/dbraw/zinc/17/87/76/209178776.db2.gz VNFQJXHVGXDRAZ-FQEVSTJZSA-N 0 1 368.456 4.570 50 0 FJAAMN Cc1ccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)o1 ZINC000012715865 220021312 /nfs/dbraw/zinc/02/13/12/220021312.db2.gz JZCNMBCKWYHGRH-LJQANCHMSA-N 0 1 353.441 4.716 50 0 FJAAMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013042058 220056721 /nfs/dbraw/zinc/05/67/21/220056721.db2.gz CENLUIIBSPEPGB-UHFFFAOYSA-N 0 1 363.788 4.776 50 0 FJAAMN CC(C)c1ccc([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000013041902 220056781 /nfs/dbraw/zinc/05/67/81/220056781.db2.gz WTUITPHBMIVBRB-GFCCVEGCSA-N 0 1 350.384 4.517 50 0 FJAAMN CC(C)c1ccc([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000013041903 220056048 /nfs/dbraw/zinc/05/60/48/220056048.db2.gz WTUITPHBMIVBRB-LBPRGKRZSA-N 0 1 350.384 4.517 50 0 FJAAMN C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccc2ccccc2c1 ZINC000014201385 220117481 /nfs/dbraw/zinc/11/74/81/220117481.db2.gz LFLNELPFZXJASF-SFHVURJKSA-N 0 1 350.506 4.667 50 0 FJAAMN CCOC(=O)c1oc2ccc(Cl)cc2c1CNCc1cccc(C)c1 ZINC000015017525 220141729 /nfs/dbraw/zinc/14/17/29/220141729.db2.gz CNZIJFKQZJZBOX-UHFFFAOYSA-N 0 1 357.837 4.861 50 0 FJAAMN Cc1c([C@H](C)NCc2ccccc2OC(F)F)cnn1-c1ccccc1 ZINC000015076036 220146036 /nfs/dbraw/zinc/14/60/36/220146036.db2.gz PFEMJGKEPISYJY-AWEZNQCLSA-N 0 1 357.404 4.633 50 0 FJAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 ZINC000004553967 207027864 /nfs/dbraw/zinc/02/78/64/207027864.db2.gz TWCWGJZBRRFOSJ-INIZCTEOSA-N 0 1 361.898 4.597 50 0 FJAAMN CCOC(=O)c1ccc(-c2ccc(CNCc3ccc(F)cc3)o2)cc1 ZINC000004643891 207034613 /nfs/dbraw/zinc/03/46/13/207034613.db2.gz GMDJOBOZZFFXNS-UHFFFAOYSA-N 0 1 353.393 4.552 50 0 FJAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(F)cc1 ZINC000004678347 207037467 /nfs/dbraw/zinc/03/74/67/207037467.db2.gz SVGWAAURZFBIQL-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)N(O)c1ccccc1 ZINC000005306500 207093097 /nfs/dbraw/zinc/09/30/97/207093097.db2.gz YAMYXDXWQAYIBN-VXKWHMMOSA-N 0 1 371.440 4.662 50 0 FJAAMN O=S(=O)(Nc1c2ccccc2nc2c1CCCC2)c1cccc(Cl)c1 ZINC000005602106 207107990 /nfs/dbraw/zinc/10/79/90/207107990.db2.gz VZCRVWJZAQVDPB-UHFFFAOYSA-N 0 1 372.877 4.568 50 0 FJAAMN CCCOc1ccc(OCCSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000005677909 207112240 /nfs/dbraw/zinc/11/22/40/207112240.db2.gz YFDYGJCGUQACTG-UHFFFAOYSA-N 0 1 373.453 4.571 50 0 FJAAMN O=c1c2ccccc2[nH]c(=S)n1CCc1ccc(Cl)cc1Cl ZINC000005827645 207117491 /nfs/dbraw/zinc/11/74/91/207117491.db2.gz KNJLKTJZUJZPEG-UHFFFAOYSA-N 0 1 351.258 4.609 50 0 FJAAMN CCOc1cccc(CNCc2cccnc2)c1OCc1ccc(C)cc1 ZINC000006716001 207156213 /nfs/dbraw/zinc/15/62/13/207156213.db2.gz VKVXGKFFLJBRII-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN Cc1ccc2nc(SCc3nc(-c4ccc(Cl)cc4)no3)[nH]c2c1 ZINC000006721546 207157651 /nfs/dbraw/zinc/15/76/51/207157651.db2.gz VVTXXUANECXNFV-UHFFFAOYSA-N 0 1 356.838 4.867 50 0 FJAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)cc1Cl ZINC000010031465 207293013 /nfs/dbraw/zinc/29/30/13/207293013.db2.gz QDIBEIFLZLJAHK-OAHLLOKOSA-N 0 1 368.264 4.545 50 0 FJAAMN CCc1c(N)c2c(C)c(C)n(Cc3ccccn3)c2nc1-c1ccccc1 ZINC000012324663 207361991 /nfs/dbraw/zinc/36/19/91/207361991.db2.gz WHISEONVLBXQPT-UHFFFAOYSA-N 0 1 356.473 4.908 50 0 FJAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2cccs2)c1 ZINC000034796191 208108686 /nfs/dbraw/zinc/10/86/86/208108686.db2.gz SJVGNLGCEPHFDF-UHFFFAOYSA-N 0 1 355.463 4.598 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000034796915 208109871 /nfs/dbraw/zinc/10/98/71/208109871.db2.gz ALHPMRJBRQMQDI-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000034793660 208110323 /nfs/dbraw/zinc/11/03/23/208110323.db2.gz XTVMAIWGLAGXKA-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000036347566 208154808 /nfs/dbraw/zinc/15/48/08/208154808.db2.gz IBGVGRJUTQRTOY-QHCPKHFHSA-N 0 1 362.473 4.501 50 0 FJAAMN O=C(Nc1ccc(Br)cc1Cl)c1cc(Cl)ccc1O ZINC000037389445 208179799 /nfs/dbraw/zinc/17/97/99/208179799.db2.gz UOPADSHREFFSQC-UHFFFAOYSA-N 0 1 361.022 4.714 50 0 FJAAMN Cc1ccc(COc2ccc(Cl)cc2CNCc2ccncc2)cc1 ZINC000040722046 208263995 /nfs/dbraw/zinc/26/39/95/208263995.db2.gz OCPIICUXQAGFKH-UHFFFAOYSA-N 0 1 352.865 4.912 50 0 FJAAMN COc1cc(Br)cc(CNCc2cccs2)c1OC(C)C ZINC000040728496 208266342 /nfs/dbraw/zinc/26/63/42/208266342.db2.gz SGMVYTRBWQSAEV-UHFFFAOYSA-N 0 1 370.312 4.596 50 0 FJAAMN CCOc1ccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)cc1 ZINC000046914016 208370655 /nfs/dbraw/zinc/37/06/55/208370655.db2.gz IKDBMFAMZPXPQB-UHFFFAOYSA-N 0 1 366.808 4.846 50 0 FJAAMN CCC[C@@H](C)c1[nH]nc2c1CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000019608368 220280578 /nfs/dbraw/zinc/28/05/78/220280578.db2.gz MZUGPDVKLYDSDC-BEFAXECRSA-N 0 1 357.498 4.706 50 0 FJAAMN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(O)c(Cl)c1 ZINC000021205611 220354347 /nfs/dbraw/zinc/35/43/47/220354347.db2.gz BKKBRMNKHYNJQZ-UHFFFAOYSA-N 0 1 359.809 4.730 50 0 FJAAMN CCc1onc(C)c1[C@H]1CCCN1Cc1ccc(OC(C)C)c(OC)c1 ZINC000021720874 220365215 /nfs/dbraw/zinc/36/52/15/220365215.db2.gz BVVORYJYADBAOL-QGZVFWFLSA-N 0 1 358.482 4.678 50 0 FJAAMN Brc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852719 220399941 /nfs/dbraw/zinc/39/99/41/220399941.db2.gz KHPXBRWXMRTKRV-HNNXBMFYSA-N 0 1 370.294 4.705 50 0 FJAAMN COc1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000022783218 220398543 /nfs/dbraw/zinc/39/85/43/220398543.db2.gz BMXFQJBJIGJRRP-NSHDSACASA-N 0 1 370.276 4.870 50 0 FJAAMN CCCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1ccccc1OC ZINC000034794714 220761825 /nfs/dbraw/zinc/76/18/25/220761825.db2.gz BFSSMFIBYGETDA-UHFFFAOYSA-N 0 1 369.852 4.944 50 0 FJAAMN CC1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427745 221088433 /nfs/dbraw/zinc/08/84/33/221088433.db2.gz VCMZLIHKJNJSQA-UHFFFAOYSA-N 0 1 363.461 4.548 50 0 FJAAMN Cn1ccnc1CN1CC[C@@H](c2ccnc(-c3csc4ccccc34)c2)C1 ZINC000065453062 221219766 /nfs/dbraw/zinc/21/97/66/221219766.db2.gz NVGVWCCCMQWSOQ-QGZVFWFLSA-N 0 1 374.513 4.686 50 0 FJAAMN Cn1ncc2c1CCC[C@H]2NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000065890706 221238079 /nfs/dbraw/zinc/23/80/79/221238079.db2.gz NAPBKVJUEVDSMU-GOSISDBHSA-N 0 1 369.415 4.658 50 0 FJAAMN Cc1ccc(-c2n[nH]c(SCc3ncc(-c4cccs4)o3)n2)cc1 ZINC000067428664 221253121 /nfs/dbraw/zinc/25/31/21/221253121.db2.gz NIPWYKCUKOCYOQ-UHFFFAOYSA-N 0 1 354.460 4.789 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1c(F)cccc1F ZINC000096294793 222112146 /nfs/dbraw/zinc/11/21/46/222112146.db2.gz DADFTYUFDGDICJ-UHFFFAOYSA-N 0 1 357.335 4.624 50 0 FJAAMN CCc1nc([C@H]2CC(=O)N(C3CCCC3)C2)[nH]c1-c1ccc(Cl)cc1 ZINC000020166538 263378690 /nfs/dbraw/zinc/37/86/90/263378690.db2.gz POSVHCKGVFJZCN-AWEZNQCLSA-N 0 1 357.885 4.551 50 0 FJAAMN CCCOc1c(CNCc2ccccc2)cc(Br)cc1OC ZINC000020934035 520292179 /nfs/dbraw/zinc/29/21/79/520292179.db2.gz ZOLHCADNYLUBCH-UHFFFAOYSA-N 0 1 364.283 4.536 50 0 FJAAMN CCC(CC)c1[nH]nc2c1CN(Cc1c(C)noc1-c1ccccc1)CC2 ZINC000020909869 521635266 /nfs/dbraw/zinc/63/52/66/521635266.db2.gz GEPAUIIXMHHJPU-UHFFFAOYSA-N 0 1 364.493 4.835 50 0 FJAAMN C[C@@H](NCc1cnc([C@@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905152 525550381 /nfs/dbraw/zinc/55/03/81/525550381.db2.gz CUGVIBJJOJYWDL-ABAIWWIYSA-N 0 1 367.312 4.608 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)n[nH]2)s1 ZINC000091625790 525717559 /nfs/dbraw/zinc/71/75/59/525717559.db2.gz VAYIMOYCHRVSPW-INIZCTEOSA-N 0 1 370.478 4.535 50 0 FJAAMN O=C([C@@H](c1ccccc1)N1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000240551661 526454411 /nfs/dbraw/zinc/45/44/11/526454411.db2.gz GVGKJNZXCGGJJL-VQTJNVASSA-N 0 1 354.519 4.639 50 0 FJAAMN O=C([C@H](c1ccccc1)N1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000240551660 526523389 /nfs/dbraw/zinc/52/33/89/526523389.db2.gz GVGKJNZXCGGJJL-PMACEKPBSA-N 0 1 354.519 4.639 50 0 FJAAMN Oc1cccc(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)c1 ZINC000215688128 568083838 /nfs/dbraw/zinc/08/38/38/568083838.db2.gz DLSXVPHOMJHOAI-UHFFFAOYSA-N 0 1 351.494 4.610 50 0 FJAAMN CCCOc1cc2cc(C(=O)c3ccccc3O)cnc2cc1OCCC ZINC000008429702 568317690 /nfs/dbraw/zinc/31/76/90/568317690.db2.gz RWKLOWVSQRRIFC-UHFFFAOYSA-N 0 1 365.429 4.749 50 0 FJAAMN CCOc1cc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000011613712 570483425 /nfs/dbraw/zinc/48/34/25/570483425.db2.gz ATTHIZIVYGVBJG-UHFFFAOYSA-N 0 1 374.289 4.810 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccc(F)cc1F ZINC000034795070 570558353 /nfs/dbraw/zinc/55/83/53/570558353.db2.gz AXFNHPHLVLZZKA-UHFFFAOYSA-N 0 1 357.335 4.624 50 0 FJAAMN COc1cccc(CC(=O)Nc2c(-c3ccccc3)n[nH]c2-c2ccco2)c1 ZINC000034796914 570559303 /nfs/dbraw/zinc/55/93/03/570559303.db2.gz NIZJXWPZYRNUCF-UHFFFAOYSA-N 0 1 373.412 4.527 50 0 FJAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccccc2Cl)cc1 ZINC000034796938 570559412 /nfs/dbraw/zinc/55/94/12/570559412.db2.gz RRXVLTRTPNKPCI-UHFFFAOYSA-N 0 1 367.836 4.868 50 0 FJAAMN COc1cc(CNCc2ccccn2)ccc1OCc1cccc(Cl)c1 ZINC000004384965 570588967 /nfs/dbraw/zinc/58/89/67/570588967.db2.gz MCMRMQBQACIYAS-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N(CC)CC)c1 ZINC000011917274 570601772 /nfs/dbraw/zinc/60/17/72/570601772.db2.gz OGUASRAWFKJTDS-HXUWFJFHSA-N 0 1 374.912 4.552 50 0 FJAAMN C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 ZINC000004980298 570615713 /nfs/dbraw/zinc/61/57/13/570615713.db2.gz TXPIKTHCMKXRPK-OAHLLOKOSA-N 0 1 366.402 4.598 50 0 FJAAMN COc1ccc2[nH]cc(C3CCN(Cc4ccncc4Cl)CC3)c2c1 ZINC000075647215 570632865 /nfs/dbraw/zinc/63/28/65/570632865.db2.gz OUXTTXYFIZIZBA-UHFFFAOYSA-N 0 1 355.869 4.605 50 0 FJAAMN Cc1cc(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)cc1C ZINC000005341724 570648482 /nfs/dbraw/zinc/64/84/82/570648482.db2.gz ODVPTOPJOOUODU-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)C1 ZINC000022662901 570650512 /nfs/dbraw/zinc/65/05/12/570650512.db2.gz DVNRGCIBTLDQGA-IAGOWNOFSA-N 0 1 359.473 4.862 50 0 FJAAMN Brc1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000022852716 570694709 /nfs/dbraw/zinc/69/47/09/570694709.db2.gz KHPXBRWXMRTKRV-OAHLLOKOSA-N 0 1 370.294 4.705 50 0 FJAAMN Cc1ccc(C)c(-n2cc(CNCc3cccnc3)c(-c3ccccc3)n2)c1 ZINC000011820554 570708442 /nfs/dbraw/zinc/70/84/42/570708442.db2.gz RCJZHECAVNRLRA-UHFFFAOYSA-N 0 1 368.484 4.841 50 0 FJAAMN CC(C)c1cc(CN2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)n[nH]1 ZINC000012302749 570734487 /nfs/dbraw/zinc/73/44/87/570734487.db2.gz VCIYIPVUIWFZJH-GOSISDBHSA-N 0 1 361.489 4.781 50 0 FJAAMN Cc1cc(Nc2ccc(Br)cc2)nc(-c2ccccc2O)n1 ZINC000013126129 570774208 /nfs/dbraw/zinc/77/42/08/570774208.db2.gz ITTBNSBANZGQEU-UHFFFAOYSA-N 0 1 356.223 4.664 50 0 FJAAMN Cc1ccc(N2[C@@H]3CCCCCN3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013301687 570776297 /nfs/dbraw/zinc/77/62/97/570776297.db2.gz QKBJYJLZSLIWFC-NHCUHLMSSA-N 0 1 356.897 4.516 50 0 FJAAMN COc1ccccc1CNCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000013720258 570786384 /nfs/dbraw/zinc/78/63/84/570786384.db2.gz LWXFEJOPIFXEGI-UHFFFAOYSA-N 0 1 363.457 4.573 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3F)[nH]n2)cc1 ZINC000051315476 570863715 /nfs/dbraw/zinc/86/37/15/570863715.db2.gz DJSZNWLLOUJPOI-UHFFFAOYSA-N 0 1 359.788 4.520 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)[nH]n2)cc1 ZINC000051315496 570864206 /nfs/dbraw/zinc/86/42/06/570864206.db2.gz MVDPQALEUQRPKZ-UHFFFAOYSA-N 0 1 355.825 4.690 50 0 FJAAMN CCOc1ccccc1-c1noc(-c2cc(-c3cc(C)ccc3C)n[nH]2)n1 ZINC000046914330 570877113 /nfs/dbraw/zinc/87/71/13/570877113.db2.gz RVMYDSDWVXGLOT-UHFFFAOYSA-N 0 1 360.417 4.809 50 0 FJAAMN Cc1ccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)o1 ZINC000019300636 570885219 /nfs/dbraw/zinc/88/52/19/570885219.db2.gz OBANDSKBWSHPTK-IBGZPJMESA-N 0 1 353.441 4.716 50 0 FJAAMN CC[C@H](C)N(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@@H](C)CC ZINC000019316464 570885849 /nfs/dbraw/zinc/88/58/49/570885849.db2.gz ZKAPOWNFQZVGRH-HOTGVXAUSA-N 0 1 373.566 4.827 50 0 FJAAMN Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)ccc1F ZINC000044837516 570900349 /nfs/dbraw/zinc/90/03/49/570900349.db2.gz AVOMXPGADLNXLR-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN CCc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000044837269 570900374 /nfs/dbraw/zinc/90/03/74/570900374.db2.gz VKBPITAXLOEWRN-UHFFFAOYSA-N 0 1 370.250 4.654 50 0 FJAAMN CCC(CC)C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027664252 571018135 /nfs/dbraw/zinc/01/81/35/571018135.db2.gz MSUUIDWSCUEUBI-IBGZPJMESA-N 0 1 350.934 4.810 50 0 FJAAMN Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 ZINC000027749359 571020703 /nfs/dbraw/zinc/02/07/03/571020703.db2.gz LRKCBFPBUHVCBQ-NRFANRHFSA-N 0 1 370.924 4.996 50 0 FJAAMN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000028290428 571029938 /nfs/dbraw/zinc/02/99/38/571029938.db2.gz AKCGMGLNUUYDRB-IBGZPJMESA-N 0 1 354.494 4.534 50 0 FJAAMN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000028292916 571030844 /nfs/dbraw/zinc/03/08/44/571030844.db2.gz DKNBTAPJKNEOKV-KRWDZBQOSA-N 0 1 368.502 4.678 50 0 FJAAMN CN(CC(=O)Nc1ccccc1Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000029483813 571040095 /nfs/dbraw/zinc/04/00/95/571040095.db2.gz ZMMQWUXRVRSBCE-DEOSSOPVSA-N 0 1 370.496 4.835 50 0 FJAAMN CN(CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCc2ccccc21 ZINC000029487171 571040816 /nfs/dbraw/zinc/04/08/16/571040816.db2.gz CNOBJZSBJAASGU-MRXNPFEDSA-N 0 1 362.445 4.559 50 0 FJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCc1ccc(F)c(C)c1 ZINC000029656761 571042527 /nfs/dbraw/zinc/04/25/27/571042527.db2.gz RLNIJCSVIZBHNV-UHFFFAOYSA-N 0 1 351.469 4.594 50 0 FJAAMN CCOc1cc(CNCc2ccccn2)ccc1OCc1ccc(C)cc1 ZINC000040722033 571092809 /nfs/dbraw/zinc/09/28/09/571092809.db2.gz QKHALBLRBVGFDU-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN CCOc1cc(CNCc2ccco2)ccc1OCc1cccc(C)c1 ZINC000040736568 571094792 /nfs/dbraw/zinc/09/47/92/571094792.db2.gz XQUUZRASRRZZHO-UHFFFAOYSA-N 0 1 351.446 4.856 50 0 FJAAMN Cc1ccccc1[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccncc1 ZINC000055569073 571121004 /nfs/dbraw/zinc/12/10/04/571121004.db2.gz USIBCNBUUCZPEZ-HSZRJFAPSA-N 0 1 372.447 4.798 50 0 FJAAMN O=C(Nc1nc2ccccc2s1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000010127028 571122736 /nfs/dbraw/zinc/12/27/36/571122736.db2.gz XSGUSZNDDBMTLT-UHFFFAOYSA-N 0 1 354.822 4.592 50 0 FJAAMN COC(=O)c1ccc2nc(C)cc(Nc3ccc(OC(C)C)cc3)c2c1 ZINC000000949568 571139779 /nfs/dbraw/zinc/13/97/79/571139779.db2.gz HSWLSABDYQGLGU-UHFFFAOYSA-N 0 1 350.418 4.861 50 0 FJAAMN C[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000065499200 571144237 /nfs/dbraw/zinc/14/42/37/571144237.db2.gz NSTAJWJTVZYFLR-MRXNPFEDSA-N 0 1 363.436 4.666 50 0 FJAAMN CS[C@@H](C)CCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067946259 571152073 /nfs/dbraw/zinc/15/20/73/571152073.db2.gz GSBLTAPRIGYYHU-ZDUSSCGKSA-N 0 1 363.548 4.765 50 0 FJAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1CCOc1c(C)cccc1C ZINC000067955442 571152456 /nfs/dbraw/zinc/15/24/56/571152456.db2.gz CQNBYWLBEPVYOP-UHFFFAOYSA-N 0 1 372.472 4.944 50 0 FJAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414240 571158899 /nfs/dbraw/zinc/15/88/99/571158899.db2.gz QGGSDHXUCXLWFN-UHFFFAOYSA-N 0 1 354.475 4.642 50 0 FJAAMN Cc1nc(CN2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)co1 ZINC000071439984 571161862 /nfs/dbraw/zinc/16/18/62/571161862.db2.gz TZFQPTDWSHHMNU-HNNXBMFYSA-N 0 1 352.400 4.847 50 0 FJAAMN Cc1nc2c(cccc2C(=O)N2CCC[C@H](CCc3ccccc3C)C2)[nH]1 ZINC000071479678 571162388 /nfs/dbraw/zinc/16/23/88/571162388.db2.gz FACBHYPKLVSSNU-GOSISDBHSA-N 0 1 361.489 4.665 50 0 FJAAMN COc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)c(C)c1 ZINC000075478762 571188831 /nfs/dbraw/zinc/18/88/31/571188831.db2.gz KIBIOBZKGBVHPC-UHFFFAOYSA-N 0 1 351.450 4.575 50 0 FJAAMN CC(C)c1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccc(F)cc2)on1 ZINC000075448585 571203091 /nfs/dbraw/zinc/20/30/91/571203091.db2.gz DQNXBNQXKWYAIN-SFHVURJKSA-N 0 1 354.429 4.664 50 0 FJAAMN COc1cccc([C@@H]2CCCCN2C(=O)c2cn[nH]c2-c2cccs2)c1 ZINC000077302376 571207006 /nfs/dbraw/zinc/20/70/06/571207006.db2.gz UPRGGGPEBARURY-KRWDZBQOSA-N 0 1 367.474 4.514 50 0 FJAAMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C)C2)cc1Cl ZINC000006586323 571210590 /nfs/dbraw/zinc/21/05/90/571210590.db2.gz VVLRHHWLHILNTA-QRWLVFNGSA-N 0 1 372.896 4.760 50 0 FJAAMN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000077469850 571212482 /nfs/dbraw/zinc/21/24/82/571212482.db2.gz OZXAJKADYMHVKT-INIZCTEOSA-N 0 1 368.506 4.737 50 0 FJAAMN COc1ccc(CC(=O)Nc2cccc(-c3nc4ccc(C)cc4[nH]3)c2)cc1 ZINC000033328611 571235217 /nfs/dbraw/zinc/23/52/17/571235217.db2.gz PBOGADQOHVHDMF-UHFFFAOYSA-N 0 1 371.440 4.728 50 0 FJAAMN Cc1c2ccccc2[nH]c1C(=O)N1CCC(c2nc3cccc(C)c3[nH]2)CC1 ZINC000091303936 571238741 /nfs/dbraw/zinc/23/87/41/571238741.db2.gz JUSNULNEZWLETG-UHFFFAOYSA-N 0 1 372.472 4.681 50 0 FJAAMN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1c1nc2cccc(C)c2[nH]1 ZINC000091365000 571239198 /nfs/dbraw/zinc/23/91/98/571239198.db2.gz ZWCFWPBDOQFYPE-HNNXBMFYSA-N 0 1 368.506 4.737 50 0 FJAAMN CCCc1nc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cs1 ZINC000091624886 571241508 /nfs/dbraw/zinc/24/15/08/571241508.db2.gz VBROZPXHCMWCQB-HNNXBMFYSA-N 0 1 374.897 4.603 50 0 FJAAMN Cc1cccc2nc([C@@H]3CCCN(C(=O)c4ccc5occc5c4)C3)[nH]c21 ZINC000091646073 571241765 /nfs/dbraw/zinc/24/17/65/571241765.db2.gz PQGSTRQYRPZGEF-QGZVFWFLSA-N 0 1 359.429 4.637 50 0 FJAAMN Cc1ccc(C[C@@H]2CCCN(Cc3nnc(-c4ccc(F)cc4)o3)C2)cc1 ZINC000065261245 571258050 /nfs/dbraw/zinc/25/80/50/571258050.db2.gz XAVCBQWBHOMMCT-SFHVURJKSA-N 0 1 365.452 4.639 50 0 FJAAMN Fc1cc(F)cc(-c2n[nH]c(SCCCc3nc4ccccc4o3)n2)c1 ZINC000170640038 571277468 /nfs/dbraw/zinc/27/74/68/571277468.db2.gz MTSZJGYSEDXGKF-UHFFFAOYSA-N 0 1 372.400 4.616 50 0 FJAAMN COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000037458123 571285572 /nfs/dbraw/zinc/28/55/72/571285572.db2.gz ZANBINYQLPJHJL-AUUYWEPGSA-N 0 1 358.869 4.513 50 0 FJAAMN Cc1ccc2nc(SCc3nc(-c4cccc(Cl)c4)no3)[nH]c2c1 ZINC000007676213 571285612 /nfs/dbraw/zinc/28/56/12/571285612.db2.gz XTRNOBBVBGJSJJ-UHFFFAOYSA-N 0 1 356.838 4.867 50 0 FJAAMN O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1 ZINC000007813567 571289770 /nfs/dbraw/zinc/28/97/70/571289770.db2.gz JWWZBOKBWKQEJA-UHFFFAOYSA-N 0 1 359.834 4.933 50 0 FJAAMN CC(C)[C@H](N[C@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968210 571333200 /nfs/dbraw/zinc/33/32/00/571333200.db2.gz WNPQMUMEKDHPHG-WMZOPIPTSA-N 0 1 363.274 4.957 50 0 FJAAMN O=C(Nc1cccc(Cl)c1F)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412624 571343286 /nfs/dbraw/zinc/34/32/86/571343286.db2.gz FRXVLIIDDKTUCS-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN C[C@@H]1CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000057427721 571343358 /nfs/dbraw/zinc/34/33/58/571343358.db2.gz LONPHRVCDZFBKG-QGZVFWFLSA-N 0 1 363.461 4.690 50 0 FJAAMN O=S(=O)(Nc1ccccc1Oc1ccccc1Cl)c1ccccc1 ZINC000003148909 571345044 /nfs/dbraw/zinc/34/50/44/571345044.db2.gz KWNGYXJHBYVRQL-UHFFFAOYSA-N 0 1 359.834 4.933 50 0 FJAAMN C[C@H](NC(=O)CN[C@@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000057854121 571345667 /nfs/dbraw/zinc/34/56/67/571345667.db2.gz HXDMCKICWVCTJW-KBPBESRZSA-N 0 1 356.853 4.614 50 0 FJAAMN CCCCN(CCCC)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O ZINC000003899312 571353008 /nfs/dbraw/zinc/35/30/08/571353008.db2.gz OHQDARXZSURSKY-JXAWBTAJSA-N 0 1 360.523 4.891 50 0 FJAAMN O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000846076 219329354 /nfs/dbraw/zinc/32/93/54/219329354.db2.gz NSQQKZMXKPAZFL-UHFFFAOYSA-N 0 1 355.802 4.943 50 0 FJAAMN O=S(=O)(Nc1ccc(F)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000001025142 219353622 /nfs/dbraw/zinc/35/36/22/219353622.db2.gz MUQSIRWRHGVDBP-UHFFFAOYSA-N 0 1 354.617 4.587 50 0 FJAAMN COc1ccc(-c2c(=O)oc3cc(O)ccc3c2-c2ccccc2)cc1OC ZINC000001080958 219366227 /nfs/dbraw/zinc/36/62/27/219366227.db2.gz BYLCNWQEOASNRQ-UHFFFAOYSA-N 0 1 374.392 4.850 50 0 biogenic,in-vitro FJAAMN Cc1ccc2nc(SCC(=O)Nc3nc4c(cccc4C)s3)[nH]c2c1 ZINC000004742079 219602846 /nfs/dbraw/zinc/60/28/46/219602846.db2.gz BFNNWJTVVAOWSQ-UHFFFAOYSA-N 0 1 368.487 4.520 50 0 FJAAMN CCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CCC)cc3[nH]2)cc1 ZINC000007343509 219802149 /nfs/dbraw/zinc/80/21/49/219802149.db2.gz YGADIMHCFZDLOY-UHFFFAOYSA-N 0 1 364.449 4.707 50 0 FJAAMN Cc1ccc(NC(=O)CN(c2n[nH]c(=S)s2)c2ccccc2)c(C)c1 ZINC000008410535 219862119 /nfs/dbraw/zinc/86/21/19/219862119.db2.gz JNNIXTYAVZMNKX-UHFFFAOYSA-N 0 1 370.503 4.594 50 0 FJAAMN O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000012557042 220007173 /nfs/dbraw/zinc/00/71/73/220007173.db2.gz HYIJCQKPNQKVKT-UHFFFAOYSA-N 0 1 369.286 4.525 50 0 FJAAMN Fc1ccc(C=Cc2n[nH]c(SCc3cccc4cccnc43)n2)cc1 ZINC000096942240 209164352 /nfs/dbraw/zinc/16/43/52/209164352.db2.gz CNIWKDSVCCYGSP-FLIBITNWSA-N 0 1 362.433 4.955 50 0 FJAAMN Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4)c3)[nH]c2c1 ZINC000096319750 209151354 /nfs/dbraw/zinc/15/13/54/209151354.db2.gz ZFEZARANSNEMJE-UHFFFAOYSA-N 0 1 371.440 4.864 50 0 FJAAMN O=C([C@@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1)N1CCCCC1 ZINC000096308888 209150894 /nfs/dbraw/zinc/15/08/94/209150894.db2.gz GVGKJNZXCGGJJL-WOJBJXKFSA-N 0 1 354.519 4.639 50 0 FJAAMN CCCCCCn1c(O)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 ZINC000013004446 220051567 /nfs/dbraw/zinc/05/15/67/220051567.db2.gz XRVXEAQDXIHLMC-UHFFFAOYSA-N 0 1 361.445 4.831 50 0 FJAAMN C[C@@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000014197867 220116075 /nfs/dbraw/zinc/11/60/75/220116075.db2.gz CRRICWGIKOATBD-CYBMUJFWSA-N 0 1 374.893 4.629 50 0 FJAAMN CN(Cc1nc(-c2ccc(F)cc2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000016439024 220184528 /nfs/dbraw/zinc/18/45/28/220184528.db2.gz PJAZGIGRWXJTEJ-UHFFFAOYSA-N 0 1 355.457 4.524 50 0 FJAAMN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1Cc1ccccc1 ZINC000017072753 220202277 /nfs/dbraw/zinc/20/22/77/220202277.db2.gz BNTOVKJDENUHQZ-UHFFFAOYSA-N 0 1 350.468 4.836 50 0 FJAAMN CCCCCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cccc2ccccc21 ZINC000004113524 207000769 /nfs/dbraw/zinc/00/07/69/207000769.db2.gz VFAMKOZCHPXHQJ-FQEVSTJZSA-N 0 1 366.461 4.591 50 0 FJAAMN CCCCCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cccc2ccccc21 ZINC000004113523 207001130 /nfs/dbraw/zinc/00/11/30/207001130.db2.gz VFAMKOZCHPXHQJ-HXUWFJFHSA-N 0 1 366.461 4.591 50 0 FJAAMN COc1cc(CNCc2cccnc2)ccc1OCc1cccc(Cl)c1 ZINC000004413616 207018262 /nfs/dbraw/zinc/01/82/62/207018262.db2.gz CCSHCQLZDZWMKJ-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN COc1ccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000004678408 207036942 /nfs/dbraw/zinc/03/69/42/207036942.db2.gz CWURANKAWZHOKE-UHFFFAOYSA-N 0 1 361.367 4.727 50 0 FJAAMN O=C([O-])[C@H]1CCC[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004678962 207037709 /nfs/dbraw/zinc/03/77/09/207037709.db2.gz BDFHBICZVAVNCD-JOCHJYFZSA-N 0 1 357.453 4.528 50 0 FJAAMN CCc1ccc(-c2n[nH]c(SCCCC(=O)c3cccs3)n2)cc1 ZINC000005178306 207086055 /nfs/dbraw/zinc/08/60/55/207086055.db2.gz BEGDQPGCPHOJIO-UHFFFAOYSA-N 0 1 357.504 4.851 50 0 FJAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000006256303 207134882 /nfs/dbraw/zinc/13/48/82/207134882.db2.gz CVXBKKMAHLCGKW-MRXNPFEDSA-N 0 1 361.898 4.597 50 0 FJAAMN Cc1ccc2nc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)[nH]c2c1 ZINC000006536755 207145298 /nfs/dbraw/zinc/14/52/98/207145298.db2.gz IBYIYWLFBFMEFS-UHFFFAOYSA-N 0 1 367.518 4.791 50 0 FJAAMN O=S(=O)(Nc1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000008185136 207222401 /nfs/dbraw/zinc/22/24/01/207222401.db2.gz ZNVHOBLUOOOPBA-UHFFFAOYSA-N 0 1 360.438 4.703 50 0 FJAAMN C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010225067 207298029 /nfs/dbraw/zinc/29/80/29/207298029.db2.gz KWRMJVNWVNHMHU-OAHLLOKOSA-N 0 1 365.452 4.514 50 0 FJAAMN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 ZINC000011945279 207331774 /nfs/dbraw/zinc/33/17/74/207331774.db2.gz GBUVNQBCXRVLFU-DEOSSOPVSA-N 0 1 370.500 4.711 50 0 FJAAMN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)cc1 ZINC000011874372 207328003 /nfs/dbraw/zinc/32/80/03/207328003.db2.gz GYADGFRVILIPIL-GOSISDBHSA-N 0 1 364.514 4.985 50 0 FJAAMN CCOc1cccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012298967 207355864 /nfs/dbraw/zinc/35/58/64/207355864.db2.gz FKDNBFQNLZCPJY-OAHLLOKOSA-N 0 1 353.441 4.569 50 0 FJAAMN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)cc1 ZINC000012447889 207378999 /nfs/dbraw/zinc/37/89/99/207378999.db2.gz BMRORUHUCQOEFF-OAQYLSRUSA-N 0 1 360.505 4.732 50 0 FJAAMN CCOC(=O)C1(CC2CC2)CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000012592784 207398963 /nfs/dbraw/zinc/39/89/63/207398963.db2.gz PIDQWTZMNFJXAZ-UHFFFAOYSA-N 0 1 369.427 4.651 50 0 FJAAMN Cc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000012979071 207444100 /nfs/dbraw/zinc/44/41/00/207444100.db2.gz ZRBYBXULQLSGRI-IBGZPJMESA-N 0 1 357.885 4.607 50 0 FJAAMN O=C(c1cc(Cl)c2nc3cc(Cl)ccc3n2c1)c1ccccc1O ZINC000013162825 207452912 /nfs/dbraw/zinc/45/29/12/207452912.db2.gz GBFPDYIIYQPIOD-UHFFFAOYSA-N 0 1 357.196 4.731 50 0 FJAAMN COc1cc(OC)c(OC)cc1CN1CCCCC[C@@H]1c1cccc(F)c1 ZINC000033087178 208071234 /nfs/dbraw/zinc/07/12/34/208071234.db2.gz YCWDIDQYOBYSBD-LJQANCHMSA-N 0 1 373.468 4.969 50 0 FJAAMN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccccc2)c1OC ZINC000036347921 208153866 /nfs/dbraw/zinc/15/38/66/208153866.db2.gz GNTRNLFNBLSYAO-QFIPXVFZSA-N 0 1 362.473 4.501 50 0 FJAAMN CCCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037560059 208182443 /nfs/dbraw/zinc/18/24/43/208182443.db2.gz YJDVQVBSNCVOII-UHFFFAOYSA-N 0 1 368.496 4.932 50 0 FJAAMN CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OC(C)C ZINC000040729250 208265868 /nfs/dbraw/zinc/26/58/68/208265868.db2.gz TVHGWDKTJCRFCI-UHFFFAOYSA-N 0 1 351.849 4.955 50 0 FJAAMN O=[P@]([O-])(CCc1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000020566948 220333255 /nfs/dbraw/zinc/33/32/55/220333255.db2.gz LGAYKRRLZVMOOE-JOCHJYFZSA-N 0 1 365.413 4.988 50 0 FJAAMN CN1CCN(C/C=C2\c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022574444 220391295 /nfs/dbraw/zinc/39/12/95/220391295.db2.gz SYQCOJUTHOBPTA-UFWORHAWSA-N 0 1 370.949 4.625 50 0 FJAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(F)c(Cl)c3)cc2[nH]1 ZINC000075465597 208885916 /nfs/dbraw/zinc/88/59/16/208885916.db2.gz CCAJEIRFGGFZBX-UHFFFAOYSA-N 0 1 359.832 4.879 50 0 FJAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2ccccc2F)c1 ZINC000034796195 220764186 /nfs/dbraw/zinc/76/41/86/220764186.db2.gz DAYRNRKPUICLHJ-UHFFFAOYSA-N 0 1 367.424 4.675 50 0 FJAAMN O=C(Nc1cccc2c1CCCC2)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412061 221088427 /nfs/dbraw/zinc/08/84/27/221088427.db2.gz GOHXSWCMIKZCQP-UHFFFAOYSA-N 0 1 351.837 4.861 50 0 FJAAMN CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c(C)c1 ZINC000057412744 221089042 /nfs/dbraw/zinc/08/90/42/221089042.db2.gz BDLJFNUIQBHCPT-UHFFFAOYSA-N 0 1 366.440 4.623 50 0 FJAAMN Cc1[nH]ncc1CCCNC(=O)Nc1ccccc1SC1CCCC1 ZINC000058268893 221112480 /nfs/dbraw/zinc/11/24/80/221112480.db2.gz SMNJIYYVOYBZCM-UHFFFAOYSA-N 0 1 358.511 4.507 50 0 FJAAMN Cc1ccc2nc([C@H]3CCCN(c4ncnc5ccc(C)cc54)C3)[nH]c2c1 ZINC000095469168 132211475 /nfs/dbraw/zinc/21/14/75/132211475.db2.gz AUUDVFPBMYIAQQ-INIZCTEOSA-N 0 1 357.461 4.507 50 0 FJAAMN CCN(Cc1c(F)cccc1Cl)CC1CCN(c2ccccn2)CC1 ZINC000072305008 136144140 /nfs/dbraw/zinc/14/41/40/136144140.db2.gz YXIGUHMLPJZVBP-UHFFFAOYSA-N 0 1 361.892 4.613 50 0 FJAAMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCCCC[C@H]1c1ccco1 ZINC000097575000 222193748 /nfs/dbraw/zinc/19/37/48/222193748.db2.gz FOYQMOYFHPREBP-KRWDZBQOSA-N 0 1 353.397 4.566 50 0 FJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccccc1)N(O)c1ccccc1 ZINC000100915446 222256152 /nfs/dbraw/zinc/25/61/52/222256152.db2.gz YAMYXDXWQAYIBN-YADHBBJMSA-N 0 1 371.440 4.662 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(Nc3cccc(F)c3)n2)c1O ZINC000002221845 263145011 /nfs/dbraw/zinc/14/50/11/263145011.db2.gz GQLRJSXUYICZCE-UHFFFAOYSA-N 0 1 361.376 4.894 50 0 FJAAMN CCN1CCN(Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)CC1 ZINC000019771252 263376589 /nfs/dbraw/zinc/37/65/89/263376589.db2.gz GZXYMBNWBKDMRL-UHFFFAOYSA-N 0 1 364.489 4.554 50 0 FJAAMN COc1ccccc1[C@H](C)NCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000089909819 524780305 /nfs/dbraw/zinc/78/03/05/524780305.db2.gz LPPBHNVLJIEBCZ-KRWDZBQOSA-N 0 1 360.457 4.652 50 0 FJAAMN C[C@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000242001110 524946036 /nfs/dbraw/zinc/94/60/36/524946036.db2.gz VDAIFANXYRXOQG-SBUREZEXSA-N 0 1 358.485 4.636 50 0 FJAAMN C[C@@H](NCc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905154 525551310 /nfs/dbraw/zinc/55/13/10/525551310.db2.gz CUGVIBJJOJYWDL-IAQYHMDHSA-N 0 1 367.312 4.608 50 0 FJAAMN COc1cccc(CNCc2cccs2)c1OCc1ccc(C)cc1 ZINC000020873946 526026177 /nfs/dbraw/zinc/02/61/77/526026177.db2.gz PZZZDFVESPWEID-UHFFFAOYSA-N 0 1 353.487 4.934 50 0 FJAAMN O=C(NCCC1=CCCCC1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000019913521 527622416 /nfs/dbraw/zinc/62/24/16/527622416.db2.gz OLTSGHSWPKHCMR-UHFFFAOYSA-N 0 1 360.929 4.559 50 0 FJAAMN CC(C)c1n[nH]c(NC(=O)C[C@H](c2cccc3ccccc32)n2cccc2)n1 ZINC000263587742 528456676 /nfs/dbraw/zinc/45/66/76/528456676.db2.gz KSLQVUPPETTYLA-LJQANCHMSA-N 0 1 373.460 4.501 50 0 FJAAMN CC(C)c1nc(NC(=O)C[C@H](c2cccc3ccccc32)n2cccc2)n[nH]1 ZINC000263587742 528456679 /nfs/dbraw/zinc/45/66/79/528456679.db2.gz KSLQVUPPETTYLA-LJQANCHMSA-N 0 1 373.460 4.501 50 0 FJAAMN C[N@@H+](Cc1ccc(C[NH+]2CCCC2)s1)Cc1ccc2ccccc2n1 ZINC000215561674 568076978 /nfs/dbraw/zinc/07/69/78/568076978.db2.gz YULARZOQAAAGAR-UHFFFAOYSA-N 0 1 351.519 4.524 50 0 FJAAMN CC(C)c1ccc(OCc2ccc(C(=O)OCCN3CCCCC3)o2)cc1 ZINC000002487648 568136766 /nfs/dbraw/zinc/13/67/66/568136766.db2.gz JIPONMIMWJLZKE-UHFFFAOYSA-N 0 1 371.477 4.625 50 0 FJAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000001925611 570510123 /nfs/dbraw/zinc/51/01/23/570510123.db2.gz HANPNNRRFLHJQT-UHFFFAOYSA-N 0 1 367.898 4.755 50 0 FJAAMN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)c1 ZINC000023330171 570527245 /nfs/dbraw/zinc/52/72/45/570527245.db2.gz VCGDQIBNPDGUMJ-UHFFFAOYSA-N 0 1 367.452 4.982 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1)c1ccccc1Cl ZINC000034795022 570558424 /nfs/dbraw/zinc/55/84/24/570558424.db2.gz WBTHFKHTBQWNAV-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2ccccc2F)c1 ZINC000034796726 570559229 /nfs/dbraw/zinc/55/92/29/570559229.db2.gz SRPTZDUXMRULRI-UHFFFAOYSA-N 0 1 366.396 4.746 50 0 FJAAMN CCOc1cc(Br)c(CN[C@@H](C)c2ccccc2)cc1OC ZINC000004856503 570610828 /nfs/dbraw/zinc/61/08/28/570610828.db2.gz GAKDMWVYOSORAG-ZDUSSCGKSA-N 0 1 364.283 4.707 50 0 FJAAMN COc1ccc(CN2CCc3ccccc3C2)cc1OCc1ccccc1 ZINC000004988392 570616529 /nfs/dbraw/zinc/61/65/29/570616529.db2.gz IHBUIWJAMCJHMK-UHFFFAOYSA-N 0 1 359.469 4.833 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)c3nnc(-c4cccs4)o3)n2)cc1 ZINC000005474275 570660895 /nfs/dbraw/zinc/66/08/95/570660895.db2.gz DWHMGZYWBMUEQG-NSHDSACASA-N 0 1 369.475 4.745 50 0 FJAAMN COc1ccc(CNCc2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1 ZINC000007539687 570665725 /nfs/dbraw/zinc/66/57/25/570665725.db2.gz ZIRBKVYORDZXIY-UHFFFAOYSA-N 0 1 357.837 4.907 50 0 FJAAMN CCCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)C ZINC000011565909 570703603 /nfs/dbraw/zinc/70/36/03/570703603.db2.gz JDIFWFPVHHMQFE-UHFFFAOYSA-N 0 1 362.495 4.575 50 0 FJAAMN Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)n1 ZINC000011667974 570705245 /nfs/dbraw/zinc/70/52/45/570705245.db2.gz DESFKVDNHFKWMY-HXUWFJFHSA-N 0 1 370.496 4.737 50 0 FJAAMN COc1ccccc1CN1CCC[C@H](C(=O)c2ccccc2SC)C1 ZINC000011872903 570710358 /nfs/dbraw/zinc/71/03/58/570710358.db2.gz RSAONVIUHFBLSA-KRWDZBQOSA-N 0 1 355.503 4.512 50 0 FJAAMN CSc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000011998754 570713489 /nfs/dbraw/zinc/71/34/89/570713489.db2.gz DLSMEKGQVHDROD-AWEZNQCLSA-N 0 1 355.482 4.893 50 0 FJAAMN C/C=C(\C)CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012320488 570736762 /nfs/dbraw/zinc/73/67/62/570736762.db2.gz AMDLWSWKFAGPFB-UZTGNQCKSA-N 0 1 365.477 4.633 50 0 FJAAMN CCOc1ccccc1CN[C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012457955 570747547 /nfs/dbraw/zinc/74/75/47/570747547.db2.gz LHOJMTGIJDZYIT-OAHLLOKOSA-N 0 1 353.441 4.569 50 0 FJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H](C)c1ccc(F)cc1 ZINC000017312243 570749253 /nfs/dbraw/zinc/74/92/53/570749253.db2.gz VDFKPMXXZLAEAU-INIZCTEOSA-N 0 1 351.469 4.847 50 0 FJAAMN CC(C)C[C@@H](C(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)n1cccc1 ZINC000409413568 570759298 /nfs/dbraw/zinc/75/92/98/570759298.db2.gz IVGVIHVBXSDRMX-HNNXBMFYSA-N 0 1 364.371 4.609 50 0 FJAAMN C[C@H](NCC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(Cl)cc1 ZINC000013040189 570773015 /nfs/dbraw/zinc/77/30/15/570773015.db2.gz ZCGIWGLKICHLQU-GJZGRUSLSA-N 0 1 374.937 4.908 50 0 FJAAMN Cc1ccc(-c2csc(NC(=O)CN(C)C3CCCCC3)n2)cc1C ZINC000014217992 570813241 /nfs/dbraw/zinc/81/32/41/570813241.db2.gz FTVKQEUINYDDJQ-UHFFFAOYSA-N 0 1 357.523 4.630 50 0 FJAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccn1C ZINC000101682011 570822353 /nfs/dbraw/zinc/82/23/53/570822353.db2.gz QLTCMICEMXVEGB-NRFANRHFSA-N 0 1 363.461 4.838 50 0 FJAAMN Clc1ccc(CSc2nc(Cc3ccccc3)n[nH]2)c(Cl)c1 ZINC000015019373 570830094 /nfs/dbraw/zinc/83/00/94/570830094.db2.gz XGGOBMBDQXDLKH-UHFFFAOYSA-N 0 1 350.274 4.995 50 0 FJAAMN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1OC ZINC000102432415 570832060 /nfs/dbraw/zinc/83/20/60/570832060.db2.gz ISIHBRKYZWNOQJ-BBWFWOEESA-N 0 1 354.494 4.887 50 0 FJAAMN CSc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1 ZINC000004555309 570834105 /nfs/dbraw/zinc/83/41/05/570834105.db2.gz FZDQLWKDVWVBJU-KRWDZBQOSA-N 0 1 373.547 4.665 50 0 FJAAMN CN(C)[C@@H](CNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000016381836 570855272 /nfs/dbraw/zinc/85/52/72/570855272.db2.gz PFYOGWMHUOBLBC-ZDUSSCGKSA-N 0 1 374.362 4.644 50 0 FJAAMN COc1cc(Cl)c(C)cc1NC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000032932501 570872229 /nfs/dbraw/zinc/87/22/29/570872229.db2.gz ZPHPAYQAGFFRIF-UHFFFAOYSA-N 0 1 355.825 4.608 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ccc(F)cc3F)C2)cc1 ZINC000019300286 570885211 /nfs/dbraw/zinc/88/52/11/570885211.db2.gz JYZIYSDUIJRZFQ-INIZCTEOSA-N 0 1 371.406 4.874 50 0 FJAAMN Fc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019823245 570903797 /nfs/dbraw/zinc/90/37/97/570903797.db2.gz OLXQIXDJQZRXNI-UHFFFAOYSA-N 0 1 360.476 4.733 50 0 FJAAMN CC(C)c1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023717715 570966665 /nfs/dbraw/zinc/96/66/65/570966665.db2.gz BGLBBDKZKQLXGQ-UHFFFAOYSA-N 0 1 363.427 4.546 50 0 FJAAMN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1F ZINC000025036249 570989160 /nfs/dbraw/zinc/98/91/60/570989160.db2.gz CYTCCVGHXNWOAT-OAQYLSRUSA-N 0 1 359.404 4.530 50 0 FJAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@H]1Cc1ccccc1 ZINC000025087644 570990914 /nfs/dbraw/zinc/99/09/14/570990914.db2.gz LXRUONNQMGZAGH-INIZCTEOSA-N 0 1 365.864 4.577 50 0 FJAAMN Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027582664 571014442 /nfs/dbraw/zinc/01/44/42/571014442.db2.gz NUZRNNKHLCXEJT-NRFANRHFSA-N 0 1 370.924 4.996 50 0 FJAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1ccc(F)cc1 ZINC000027582763 571015249 /nfs/dbraw/zinc/01/52/49/571015249.db2.gz UQLPIZBHSTYUDB-FQEVSTJZSA-N 0 1 374.887 4.826 50 0 FJAAMN CC(=O)Nc1cccc([C@H](C)NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000028925064 571035587 /nfs/dbraw/zinc/03/55/87/571035587.db2.gz YBMDYOSTJVESLP-AWEZNQCLSA-N 0 1 352.409 4.895 50 0 FJAAMN Cc1nc2ccccc2n1CC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000038535793 571044769 /nfs/dbraw/zinc/04/47/69/571044769.db2.gz HRVKCELYBUDOHY-UHFFFAOYSA-N 0 1 355.432 4.535 50 0 FJAAMN CCOc1ccc2ccccc2c1CNCc1cnn(Cc2ccccc2)c1 ZINC000030907738 571052799 /nfs/dbraw/zinc/05/27/99/571052799.db2.gz QNQIGCICSCSSMC-UHFFFAOYSA-N 0 1 371.484 4.773 50 0 FJAAMN CCN(CC(=O)Nc1c(F)cccc1F)Cc1cccc2ccccc21 ZINC000012730068 571054508 /nfs/dbraw/zinc/05/45/08/571054508.db2.gz VSSYGCXQZLHNNW-UHFFFAOYSA-N 0 1 354.400 4.579 50 0 FJAAMN Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c(C)n1C(C)C ZINC000084208339 571079272 /nfs/dbraw/zinc/07/92/72/571079272.db2.gz NHUOVKJXAFEAQA-FQEVSTJZSA-N 0 1 364.493 4.848 50 0 FJAAMN Fc1cccc(Cl)c1COc1cccc(CNCc2cccnc2)c1 ZINC000040738683 571095234 /nfs/dbraw/zinc/09/52/34/571095234.db2.gz DCZNKIWSXAKQTO-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009219601 571101467 /nfs/dbraw/zinc/10/14/67/571101467.db2.gz IXYTXZGLRNKFNO-SFHVURJKSA-N 0 1 374.469 4.664 50 0 FJAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2C)nc1Cc1ccccc1 ZINC000009946762 571121503 /nfs/dbraw/zinc/12/15/03/571121503.db2.gz NNJQMTWJXKFLMM-MRXNPFEDSA-N 0 1 365.502 4.737 50 0 FJAAMN Cc1cccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)c1 ZINC000015863862 571139177 /nfs/dbraw/zinc/13/91/77/571139177.db2.gz MXEMJXWEKIVKAM-UHFFFAOYSA-N 0 1 355.441 4.909 50 0 FJAAMN CC[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)c1ccc(Cl)cc1 ZINC000063809193 571139881 /nfs/dbraw/zinc/13/98/81/571139881.db2.gz FDHNJWDVEUYNRC-CQSZACIVSA-N 0 1 373.865 4.532 50 0 FJAAMN CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C ZINC000075330276 571161103 /nfs/dbraw/zinc/16/11/03/571161103.db2.gz JTJPQACKSFMSAN-UHFFFAOYSA-N 0 1 370.541 4.834 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000005867302 571167138 /nfs/dbraw/zinc/16/71/38/571167138.db2.gz DEODKCBFHZKJFE-HNNXBMFYSA-N 0 1 351.475 4.760 50 0 FJAAMN COc1ccc([C@H](C)NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1 ZINC000075478771 571188972 /nfs/dbraw/zinc/18/89/72/571188972.db2.gz PGURKUFNQGSCBI-HNNXBMFYSA-N 0 1 365.477 4.505 50 0 FJAAMN CC(C)C[C@H](C(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)n1cccc1 ZINC000253406330 571190196 /nfs/dbraw/zinc/19/01/96/571190196.db2.gz IVGVIHVBXSDRMX-OAHLLOKOSA-N 0 1 364.371 4.609 50 0 FJAAMN O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072475851 571199234 /nfs/dbraw/zinc/19/92/34/571199234.db2.gz MGKHMHQXNDADMR-IBGZPJMESA-N 0 1 362.408 4.551 50 0 FJAAMN O=C(c1ccc2occc2c1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072479125 571199425 /nfs/dbraw/zinc/19/94/25/571199425.db2.gz OAJRVXANVOZWEK-SFHVURJKSA-N 0 1 363.392 4.816 50 0 FJAAMN Cc1n[nH]c(C2CC2)c1-c1cccc(C(=O)N[C@@H](C)Cc2cccs2)c1 ZINC000534656969 571208043 /nfs/dbraw/zinc/20/80/43/571208043.db2.gz OAKOUKQFZCSAJM-ZDUSSCGKSA-N 0 1 365.502 4.685 50 0 FJAAMN O[C@@H](Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102644 571241884 /nfs/dbraw/zinc/24/18/84/571241884.db2.gz CPPYRWYTDQXEGJ-QFIPXVFZSA-N 0 1 367.439 4.571 50 0 FJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C)c3)c(C)s2)cs1 ZINC000065138159 571254838 /nfs/dbraw/zinc/25/48/38/571254838.db2.gz YHJDERWCPHKLFK-UHFFFAOYSA-N 0 1 364.517 4.598 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)n[nH]2)cc1C ZINC000006943180 571255391 /nfs/dbraw/zinc/25/53/91/571255391.db2.gz CQJJQXMEWCIHNP-UHFFFAOYSA-N 0 1 373.500 4.788 50 0 FJAAMN Cn1ccnc1C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000170593516 571266194 /nfs/dbraw/zinc/26/61/94/571266194.db2.gz HFKFZNGILSQMNK-ZDUSSCGKSA-N 0 1 371.834 4.547 50 0 FJAAMN Cc1nc(C(F)(F)F)c(CN2CCC[C@H]2COc2ccccc2)s1 ZINC000170595220 571266421 /nfs/dbraw/zinc/26/64/21/571266421.db2.gz TXLNSVZZYFIOQY-ZDUSSCGKSA-N 0 1 356.413 4.514 50 0 FJAAMN CCN(CC)[C@@H](C(=O)Nc1cc(-c2ncco2)ccc1C)c1ccccc1 ZINC000089618401 571272291 /nfs/dbraw/zinc/27/22/91/571272291.db2.gz VJGFXQRALWZXHX-HXUWFJFHSA-N 0 1 363.461 4.672 50 0 FJAAMN COc1cccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc32)c1 ZINC000002194472 571283426 /nfs/dbraw/zinc/28/34/26/571283426.db2.gz ODJJXKSHUJUHAI-UHFFFAOYSA-N 0 1 374.396 4.812 50 0 FJAAMN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037559903 571288033 /nfs/dbraw/zinc/28/80/33/571288033.db2.gz NDRURJRFMUFDLP-UHFFFAOYSA-N 0 1 372.459 4.618 50 0 FJAAMN Fc1ccccc1-c1n[nH]c(SCc2cc(-c3cccs3)on2)n1 ZINC000007768278 571288399 /nfs/dbraw/zinc/28/83/99/571288399.db2.gz XHNGLKRMTJNTPB-UHFFFAOYSA-N 0 1 358.423 4.620 50 0 FJAAMN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000253426076 571313068 /nfs/dbraw/zinc/31/30/68/571313068.db2.gz FPNZJMIIPXODDG-UHFFFAOYSA-N 0 1 367.257 4.651 50 0 FJAAMN C[C@H](c1ccccn1)N(C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000095468629 571330532 /nfs/dbraw/zinc/33/05/32/571330532.db2.gz LPYRLUWIVBYJFA-QGZVFWFLSA-N 0 1 350.437 4.993 50 0 FJAAMN O=C(c1ccc(Br)cc1)[C@@H](Cc1ccccc1)N1CCCCC1 ZINC000002655114 571340206 /nfs/dbraw/zinc/34/02/06/571340206.db2.gz JIWYMIYHPRPHAB-LJQANCHMSA-N 0 1 372.306 4.729 50 0 FJAAMN COc1ccc2nc(SCc3noc(-c4ccc(Cl)cc4)n3)[nH]c2c1 ZINC000029279908 571342273 /nfs/dbraw/zinc/34/22/73/571342273.db2.gz BNZQWMPWYHJZPX-UHFFFAOYSA-N 0 1 372.837 4.567 50 0 FJAAMN O=C(Nc1cccc(Cl)c1F)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412321 571343221 /nfs/dbraw/zinc/34/32/21/571343221.db2.gz VUVCUALSUYPYTF-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000057412769 571343276 /nfs/dbraw/zinc/34/32/76/571343276.db2.gz DEXBFOFTBBLIGS-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN O=C(Nc1ccc(F)cc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412615 571343305 /nfs/dbraw/zinc/34/33/05/571343305.db2.gz YBTZUZIOGXNLDX-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN Cc1ccc(NC(=O)[C@H](C)N[C@H](c2cccs2)c2ccccc2)cc1F ZINC000057508775 571343941 /nfs/dbraw/zinc/34/39/41/571343941.db2.gz ZKHQUIFVUKEQPE-YWZLYKJASA-N 0 1 368.477 4.902 50 0 FJAAMN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000000753264 219318595 /nfs/dbraw/zinc/31/85/95/219318595.db2.gz PRZBEXWQYPPUQH-UHFFFAOYSA-N 0 1 370.179 4.813 50 0 FJAAMN CCCc1nc2ccccc2c(NC(=O)CN2CCCCCC2)c1CC ZINC000000823161 219326962 /nfs/dbraw/zinc/32/69/62/219326962.db2.gz QXTDGLXAYKNNGV-UHFFFAOYSA-N 0 1 353.510 4.564 50 0 FJAAMN COc1cc(CN2CCc3ccccc3C2)ccc1OCc1ccccc1 ZINC000001228008 219391914 /nfs/dbraw/zinc/39/19/14/219391914.db2.gz LHOOYMZJOWNTQQ-UHFFFAOYSA-N 0 1 359.469 4.833 50 0 FJAAMN O=C([O-])CC[N@@H+]1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000855002 209378917 /nfs/dbraw/zinc/37/89/17/209378917.db2.gz OLMDOBSZEZQBDZ-NRFANRHFSA-N 0 1 366.505 4.857 50 0 FJAAMN O=C([O-])CC[N@H+]1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000855002 209378920 /nfs/dbraw/zinc/37/89/20/209378920.db2.gz OLMDOBSZEZQBDZ-NRFANRHFSA-N 0 1 366.505 4.857 50 0 FJAAMN C[C@@H](NCc1c[nH]nc1-c1cccs1)c1ccccc1Br ZINC000012531657 220003985 /nfs/dbraw/zinc/00/39/85/220003985.db2.gz LDYUMPFAAROPIT-LLVKDONJSA-N 0 1 362.296 4.752 50 0 FJAAMN Cc1ccc2n[nH]c(C(=O)N(Cc3cccs3)Cc3cccs3)c2c1 ZINC000097286248 209177659 /nfs/dbraw/zinc/17/76/59/209177659.db2.gz ZAUXMMKFGKCWLS-UHFFFAOYSA-N 0 1 367.499 4.837 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)cc1 ZINC000015067842 220144479 /nfs/dbraw/zinc/14/44/79/220144479.db2.gz DRBXNLPWSGZYOP-OAHLLOKOSA-N 0 1 371.406 4.874 50 0 FJAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccc(F)cc1 ZINC000015863893 220170105 /nfs/dbraw/zinc/17/01/05/220170105.db2.gz AZIHFVLNAQFOKE-UHFFFAOYSA-N 0 1 359.404 4.740 50 0 FJAAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(Br)cc1 ZINC000004678570 207036479 /nfs/dbraw/zinc/03/64/79/207036479.db2.gz IOQXWFYNFMFCBX-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN Cn1c(-c2cccc(Br)c2)cnc1NCc1ccccc1F ZINC000004678229 207036541 /nfs/dbraw/zinc/03/65/41/207036541.db2.gz QHQKZQAAWYDXGU-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN COc1cc2c(cc1OC)CN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000004986933 207069789 /nfs/dbraw/zinc/06/97/89/207069789.db2.gz GYXNTGHNDUVIDL-UHFFFAOYSA-N 0 1 371.480 4.833 50 0 FJAAMN CCOc1cc(CNCc2cccnc2)ccc1OCc1ccc(C)cc1 ZINC000004999707 207070391 /nfs/dbraw/zinc/07/03/91/207070391.db2.gz RDRVLSRZILNVFH-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN CC(=O)Nc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000005217590 207088534 /nfs/dbraw/zinc/08/85/34/207088534.db2.gz NLJGFVPLAPZFMG-UHFFFAOYSA-N 0 1 371.396 4.753 50 0 FJAAMN Cc1cc(C)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1 ZINC000006025169 207127077 /nfs/dbraw/zinc/12/70/77/207127077.db2.gz ZIWIESVPHVWUMY-UHFFFAOYSA-N 0 1 359.882 4.872 50 0 FJAAMN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C)C2)cc1Cl ZINC000006598482 207148849 /nfs/dbraw/zinc/14/88/49/207148849.db2.gz VVLRHHWLHILNTA-FOIQADDNSA-N 0 1 372.896 4.760 50 0 FJAAMN Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)cc1C ZINC000010139645 207296147 /nfs/dbraw/zinc/29/61/47/207296147.db2.gz KUQBRNVOOPXZAO-UHFFFAOYSA-N 0 1 361.489 4.603 50 0 FJAAMN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000011613722 207314721 /nfs/dbraw/zinc/31/47/21/207314721.db2.gz FRFMLBWRRSSBBX-UHFFFAOYSA-N 0 1 367.898 4.971 50 0 FJAAMN CCOc1ccc(-c2nc(CN3CCC(CCCOC)CC3)c(C)o2)cc1 ZINC000012442347 207377926 /nfs/dbraw/zinc/37/79/26/207377926.db2.gz CSOVBCKAWPHNDQ-UHFFFAOYSA-N 0 1 372.509 4.687 50 0 FJAAMN Cc1ccc2nc(CCc3ccc(NC(=O)c4cccs4)cc3)[nH]c2c1 ZINC000032960944 208062162 /nfs/dbraw/zinc/06/21/62/208062162.db2.gz JYTGWNYWTXALSG-UHFFFAOYSA-N 0 1 361.470 4.970 50 0 FJAAMN COc1cccc(-c2[nH]nc(CC(C)C)c2NC(=O)c2cccc(F)c2)c1 ZINC000034796197 208108527 /nfs/dbraw/zinc/10/85/27/208108527.db2.gz PVGYWBGRXFIDTG-UHFFFAOYSA-N 0 1 367.424 4.675 50 0 FJAAMN CC(C)N(Cc1ccccc1Cl)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102029 208147707 /nfs/dbraw/zinc/14/77/07/208147707.db2.gz RJBQOBDLUGMNRM-KRWDZBQOSA-N 0 1 368.304 4.644 50 0 FJAAMN CCOc1cc(CNCc2cccnc2)ccc1OCc1ccccc1C ZINC000040736683 208266193 /nfs/dbraw/zinc/26/61/93/208266193.db2.gz VZHXBCBVIVINSD-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1cc2ccccc2o1 ZINC000020995762 220347300 /nfs/dbraw/zinc/34/73/00/220347300.db2.gz ARIBKSYBEYREGI-LJQANCHMSA-N 0 1 361.420 4.925 50 0 FJAAMN CCn1nc(C)c([C@@H](C)NCc2cnc(-c3ccccc3C)s2)c1C ZINC000065499883 208684673 /nfs/dbraw/zinc/68/46/73/208684673.db2.gz AHKMGJCGWDJQFQ-CQSZACIVSA-N 0 1 354.523 4.803 50 0 FJAAMN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)C1 ZINC000022662911 220393930 /nfs/dbraw/zinc/39/39/30/220393930.db2.gz DVNRGCIBTLDQGA-IRXDYDNUSA-N 0 1 359.473 4.862 50 0 FJAAMN Cc1nc(C(C)C)sc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000071839311 208784433 /nfs/dbraw/zinc/78/44/33/208784433.db2.gz JGFIZHPOOTWFIO-OAHLLOKOSA-N 0 1 370.478 4.555 50 0 FJAAMN Cc1ccccc1Oc1ncccc1CNCc1cccn1-c1ccccn1 ZINC000055269931 221064973 /nfs/dbraw/zinc/06/49/73/221064973.db2.gz ZEVDXMFWDXDPHP-UHFFFAOYSA-N 0 1 370.456 4.658 50 0 FJAAMN O=c1cc(CN2CC=C(c3ccccc3)CC2)c2cc3c(cc2o1)CCC3 ZINC000057315417 221086297 /nfs/dbraw/zinc/08/62/97/221086297.db2.gz MZQNESOAEPDEEC-UHFFFAOYSA-N 0 1 357.453 4.571 50 0 FJAAMN C[C@@H](NCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1 ZINC000058160732 221100954 /nfs/dbraw/zinc/10/09/54/221100954.db2.gz ITUAROCNGBXLDZ-SNVBAGLBSA-N 0 1 374.765 4.787 50 0 FJAAMN COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 ZINC000057477059 221089633 /nfs/dbraw/zinc/08/96/33/221089633.db2.gz GSWCRAINLLMEGV-UHFFFAOYSA-N 0 1 355.825 4.608 50 0 FJAAMN Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2cccs2)c2ccccc2)cc1F ZINC000057508772 221090679 /nfs/dbraw/zinc/09/06/79/221090679.db2.gz ZKHQUIFVUKEQPE-QRWLVFNGSA-N 0 1 368.477 4.902 50 0 FJAAMN C[C@@H](NC(=O)CN[C@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000057854139 221095649 /nfs/dbraw/zinc/09/56/49/221095649.db2.gz HXDMCKICWVCTJW-ZIAGYGMSSA-N 0 1 356.853 4.614 50 0 FJAAMN C[C@@H](NCC(=O)N[C@@H](C)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000057854129 221095733 /nfs/dbraw/zinc/09/57/33/221095733.db2.gz HXDMCKICWVCTJW-KGLIPLIRSA-N 0 1 356.853 4.614 50 0 FJAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)CCC)ccc21 ZINC000065322367 221200338 /nfs/dbraw/zinc/20/03/38/221200338.db2.gz IPMQRPGVHHSUKM-UHFFFAOYSA-N 0 1 370.541 4.807 50 0 FJAAMN Cc1nc(CN2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)co1 ZINC000071639689 221353357 /nfs/dbraw/zinc/35/33/57/221353357.db2.gz NWUHIZHXYFSYOR-MRXNPFEDSA-N 0 1 352.400 4.847 50 0 FJAAMN Cc1ccc(Cl)cc1N1CCN(Cc2csc3c2CCCC3)CC1 ZINC000057992712 136130365 /nfs/dbraw/zinc/13/03/65/136130365.db2.gz MAMRINAEHUYPFU-UHFFFAOYSA-N 0 1 360.954 4.911 50 0 FJAAMN COc1ccc2[nH+]cc(C(=O)[O-])c(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000095618444 209084706 /nfs/dbraw/zinc/08/47/06/209084706.db2.gz YYYMFQLUYFCUHH-UHFFFAOYSA-N 0 1 362.307 4.704 50 0 FJAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C1c2ccccc2Oc2ccccc21 ZINC000103774593 222343429 /nfs/dbraw/zinc/34/34/29/222343429.db2.gz QHXPMLIGHUTSRD-OAQYLSRUSA-N 0 1 354.409 4.963 50 0 FJAAMN CCN(C(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccccc1 ZINC000089969507 520013643 /nfs/dbraw/zinc/01/36/43/520013643.db2.gz JULUHDCHCDJRIQ-GOSISDBHSA-N 0 1 373.500 4.699 50 0 FJAAMN CCCOc1ccc(Br)cc1CNCc1ccc(OC)cc1 ZINC000020929405 520326108 /nfs/dbraw/zinc/32/61/08/520326108.db2.gz WOWDSKLAGCAREY-UHFFFAOYSA-N 0 1 364.283 4.536 50 0 FJAAMN C[C@H](NCc1cnc([C@H]2CCCO2)s1)c1cccc(Br)c1 ZINC000089905153 525478765 /nfs/dbraw/zinc/47/87/65/525478765.db2.gz CUGVIBJJOJYWDL-XHDPSFHLSA-N 0 1 367.312 4.608 50 0 FJAAMN Cc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1Cl ZINC000020876605 525751268 /nfs/dbraw/zinc/75/12/68/525751268.db2.gz HJRSOWKVBIGVKG-UHFFFAOYSA-N 0 1 355.821 4.927 50 0 FJAAMN Cc1ncc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)s1 ZINC000020996382 527256182 /nfs/dbraw/zinc/25/61/82/527256182.db2.gz GXHUYHUQMWFDKI-KRWDZBQOSA-N 0 1 356.535 4.844 50 0 FJAAMN Cc1ccc2nc(SCCOc3cccc(Br)c3)[nH]c2c1 ZINC000006566483 567832262 /nfs/dbraw/zinc/83/22/62/567832262.db2.gz HDORARYONSWXSZ-UHFFFAOYSA-N 0 1 363.280 4.805 50 0 FJAAMN COc1cc(CN[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000022776726 568308717 /nfs/dbraw/zinc/30/87/17/568308717.db2.gz JTPANBOUNKKHGC-LLVKDONJSA-N 0 1 370.276 4.870 50 0 FJAAMN CC[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000011438175 570448472 /nfs/dbraw/zinc/44/84/72/570448472.db2.gz MLPZRPDEUKYNAY-JOCHJYFZSA-N 0 1 362.473 4.698 50 0 FJAAMN Cc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccco3)CC2)c1 ZINC000034683027 570532079 /nfs/dbraw/zinc/53/20/79/570532079.db2.gz XWPQVUAXWNZWJM-UHFFFAOYSA-N 0 1 374.484 4.899 50 0 FJAAMN FC(F)(F)c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000004365010 570587451 /nfs/dbraw/zinc/58/74/51/570587451.db2.gz VBOKHXISZFVDHU-UHFFFAOYSA-N 0 1 371.406 4.576 50 0 FJAAMN COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000004413558 570590196 /nfs/dbraw/zinc/59/01/96/570590196.db2.gz WQKKJLNOWMZBOW-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN COC(=O)c1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000005186250 570630566 /nfs/dbraw/zinc/63/05/66/570630566.db2.gz YMNDMXSVYQOGJS-UHFFFAOYSA-N 0 1 372.380 4.581 50 0 FJAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ncc(C(C)C)o2)n1 ZINC000071904404 570642692 /nfs/dbraw/zinc/64/26/92/570642692.db2.gz QHVCLBAVKYAUTN-UHFFFAOYSA-N 0 1 364.858 4.537 50 0 FJAAMN COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccc(F)cc1 ZINC000008495394 570682585 /nfs/dbraw/zinc/68/25/85/570682585.db2.gz AKAUFBJKGLMLSR-UHFFFAOYSA-N 0 1 369.411 4.842 50 0 FJAAMN Cc1cccc(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)n1 ZINC000011667973 570705211 /nfs/dbraw/zinc/70/52/11/570705211.db2.gz DESFKVDNHFKWMY-FQEVSTJZSA-N 0 1 370.496 4.737 50 0 FJAAMN COCCCC1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000012073390 570716592 /nfs/dbraw/zinc/71/65/92/570716592.db2.gz PAWJNESLVLXJGJ-UHFFFAOYSA-N 0 1 362.901 4.942 50 0 FJAAMN CCOc1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)ccc1O ZINC000012073397 570716615 /nfs/dbraw/zinc/71/66/15/570716615.db2.gz UBZVNRRYVNPENZ-QGZVFWFLSA-N 0 1 373.880 4.539 50 0 FJAAMN CC(=O)c1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)c1 ZINC000012093032 570718122 /nfs/dbraw/zinc/71/81/22/570718122.db2.gz RQGCTGUNRVDCKC-JOCHJYFZSA-N 0 1 373.500 4.878 50 0 FJAAMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000017315469 570749015 /nfs/dbraw/zinc/74/90/15/570749015.db2.gz HOXQBHUEGFBXLZ-HNNXBMFYSA-N 0 1 369.459 4.986 50 0 FJAAMN Brc1csc(CN2CCC(Cc3ccccc3)CC2)c1 ZINC000004990318 570775062 /nfs/dbraw/zinc/77/50/62/570775062.db2.gz RADOWZAQXFZLBA-UHFFFAOYSA-N 0 1 350.325 4.965 50 0 FJAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCCC[C@H]1CO ZINC000015072490 570831566 /nfs/dbraw/zinc/83/15/66/570831566.db2.gz PNJICVHJGOOWOE-NRFANRHFSA-N 0 1 362.473 4.664 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc42)N3)C1 ZINC000004556143 570834625 /nfs/dbraw/zinc/83/46/25/570834625.db2.gz SKXFROFUGNUYEG-IBGZPJMESA-N 0 1 363.486 4.708 50 0 FJAAMN CCOc1ccc2nc(Nc3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 ZINC000017123756 570868860 /nfs/dbraw/zinc/86/88/60/570868860.db2.gz VUAKHKWYBMNUQD-UHFFFAOYSA-N 0 1 371.444 4.846 50 0 FJAAMN c1ccc(COc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000019359479 570887521 /nfs/dbraw/zinc/88/75/21/570887521.db2.gz JHUOYCZWDRDGTI-UHFFFAOYSA-N 0 1 372.512 4.583 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)[nH]n2)cc1 ZINC000044837811 570900190 /nfs/dbraw/zinc/90/01/90/570900190.db2.gz NLLIQPHICOGZJP-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN Clc1cccc(-c2noc(CN3CCC[C@H](c4ccccc4)C3)n2)c1 ZINC000020598247 570920547 /nfs/dbraw/zinc/92/05/47/570920547.db2.gz ILJWZMYJAWUNOA-KRWDZBQOSA-N 0 1 353.853 4.770 50 0 FJAAMN CN1CCN(CCCN2c3ccccc3Sc3cc(Cl)ccc32)CC1 ZINC000022882687 570952135 /nfs/dbraw/zinc/95/21/35/570952135.db2.gz QIIWGPSXDUSNTF-UHFFFAOYSA-N 0 1 373.953 4.580 50 0 FJAAMN Cc1cc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)s1 ZINC000024071004 570971406 /nfs/dbraw/zinc/97/14/06/570971406.db2.gz IJJMFINBRWKRNW-UHFFFAOYSA-N 0 1 364.517 4.598 50 0 FJAAMN CCc1oc2ccccc2c1CNCc1cccc(NC(=O)C(C)C)c1 ZINC000025063156 570990104 /nfs/dbraw/zinc/99/01/04/570990104.db2.gz ZSXACHRETBGAKO-UHFFFAOYSA-N 0 1 350.462 4.880 50 0 FJAAMN Cc1ccc(-c2n[nH]c(SCc3csc(-c4ccco4)n3)n2)cc1 ZINC000025547572 570996769 /nfs/dbraw/zinc/99/67/69/570996769.db2.gz UUTITFVYNOJQAJ-UHFFFAOYSA-N 0 1 354.460 4.789 50 0 FJAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2F)o1 ZINC000026304744 571004737 /nfs/dbraw/zinc/00/47/37/571004737.db2.gz VTKYUSOBWWIITK-UHFFFAOYSA-N 0 1 361.420 4.870 50 0 FJAAMN Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c(Cl)c1 ZINC000026545388 571006758 /nfs/dbraw/zinc/00/67/58/571006758.db2.gz YIARHQJKYTXWSD-UHFFFAOYSA-N 0 1 363.838 4.764 50 0 FJAAMN C[C@H](c1ccc(OC(F)(F)F)cc1)n1c(=O)c2ccccc2[nH]c1=S ZINC000027223462 571011167 /nfs/dbraw/zinc/01/11/67/571011167.db2.gz BMQZEUIFRAIKIG-SNVBAGLBSA-N 0 1 366.364 4.567 50 0 FJAAMN Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027582658 571014691 /nfs/dbraw/zinc/01/46/91/571014691.db2.gz NUZRNNKHLCXEJT-OAQYLSRUSA-N 0 1 370.924 4.996 50 0 FJAAMN Cc1c2ccccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027664678 571018519 /nfs/dbraw/zinc/01/85/19/571018519.db2.gz NWJUAOXOETWRNM-KRWDZBQOSA-N 0 1 368.502 4.760 50 0 FJAAMN Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000028287615 571029247 /nfs/dbraw/zinc/02/92/47/571029247.db2.gz YUIWAOKYULNQRJ-QGZVFWFLSA-N 0 1 368.502 4.678 50 0 FJAAMN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000028925063 571035600 /nfs/dbraw/zinc/03/56/00/571035600.db2.gz YBMDYOSTJVESLP-CQSZACIVSA-N 0 1 352.409 4.895 50 0 FJAAMN Cc1ccc(Cl)c(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1Cl ZINC000029482948 571040526 /nfs/dbraw/zinc/04/05/26/571040526.db2.gz DICBQRJOAHGLJV-MRXNPFEDSA-N 0 1 363.288 4.860 50 0 FJAAMN Cc1ccc(C)c(CSC2=NC3(CCN(C)CC3)Nc3ccccc32)c1 ZINC000067341725 571050658 /nfs/dbraw/zinc/05/06/58/571050658.db2.gz JOJBBXCZJSYYTM-UHFFFAOYSA-N 0 1 365.546 4.831 50 0 FJAAMN Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1CN(C)Cc1ccccc1 ZINC000008717346 571057022 /nfs/dbraw/zinc/05/70/22/571057022.db2.gz GWYZTQXRTMPWNK-UHFFFAOYSA-N 0 1 360.379 4.900 50 0 FJAAMN CCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 ZINC000004820008 571072341 /nfs/dbraw/zinc/07/23/41/571072341.db2.gz JHOVUVWGIRYEJY-UHFFFAOYSA-N 0 1 369.368 4.632 50 0 FJAAMN CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000040088294 571074294 /nfs/dbraw/zinc/07/42/94/571074294.db2.gz JPYDXARFXAAZMX-UHFFFAOYSA-N 0 1 353.447 4.548 50 0 FJAAMN COC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2[C@H]1c1ccccc1 ZINC000000845422 571092608 /nfs/dbraw/zinc/09/26/08/571092608.db2.gz ZMWKHABCFQCHRI-HSZRJFAPSA-N 0 1 370.452 4.651 50 0 FJAAMN CCOc1cc(CNCc2ccccn2)ccc1OCc1cccc(C)c1 ZINC000040736595 571094724 /nfs/dbraw/zinc/09/47/24/571094724.db2.gz YOZDOHQKAAONQO-UHFFFAOYSA-N 0 1 362.473 4.658 50 0 FJAAMN Fc1ccc(COc2cccc(CNCc3cccnc3)c2)c(Cl)c1 ZINC000040738547 571095250 /nfs/dbraw/zinc/09/52/50/571095250.db2.gz BVTWLVRKNCBGGR-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934141 571105336 /nfs/dbraw/zinc/10/53/36/571105336.db2.gz JJFXLXMOQRMJPS-HNNXBMFYSA-N 0 1 374.887 4.569 50 0 FJAAMN Cc1ccc2[nH]cc(C(=O)N(Cc3ccccc3Cl)C(C)C)c(=O)c2c1 ZINC000055245037 571118339 /nfs/dbraw/zinc/11/83/39/571118339.db2.gz AMQVJWBIHIXXNY-UHFFFAOYSA-N 0 1 368.864 4.541 50 0 FJAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(Cl)cc1Cl ZINC000010031468 571122362 /nfs/dbraw/zinc/12/23/62/571122362.db2.gz QDIBEIFLZLJAHK-HNNXBMFYSA-N 0 1 368.264 4.545 50 0 FJAAMN O=C(NCCN1CCc2ccccc2C1)Nc1ccccc1-c1ccccc1 ZINC000021783205 571138291 /nfs/dbraw/zinc/13/82/91/571138291.db2.gz PEJASUNNXCIYRP-UHFFFAOYSA-N 0 1 371.484 4.533 50 0 FJAAMN CCn1nc(C)c([C@H](C)NCc2cnc(-c3ccccc3C)s2)c1C ZINC000065499888 571144139 /nfs/dbraw/zinc/14/41/39/571144139.db2.gz AHKMGJCGWDJQFQ-AWEZNQCLSA-N 0 1 354.523 4.803 50 0 FJAAMN CCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003339277 571181064 /nfs/dbraw/zinc/18/10/64/571181064.db2.gz DUVHOJDQHVVRKJ-UHFFFAOYSA-N 0 1 360.262 4.583 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(C)cc2)[nH]n1 ZINC000075558748 571200662 /nfs/dbraw/zinc/20/06/62/571200662.db2.gz PYHLRTSBKGTGTP-UHFFFAOYSA-N 0 1 358.445 4.920 50 0 FJAAMN CC(C)c1nc2ccc(NC(=O)N3CCc4c(Cl)cccc4C3)cc2[nH]1 ZINC000299797197 571202546 /nfs/dbraw/zinc/20/25/46/571202546.db2.gz QCDHEPKLCPOCJJ-UHFFFAOYSA-N 0 1 368.868 4.930 50 0 FJAAMN CCCN(Cc1ccncc1)C(=O)c1cccc(-c2c(C)n[nH]c2C2CC2)c1 ZINC000534649987 571207409 /nfs/dbraw/zinc/20/74/09/571207409.db2.gz VIYDTTJRELUDRL-UHFFFAOYSA-N 0 1 374.488 4.710 50 0 FJAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C3=Cc4ccccc4OC=C3)[nH]c2c1 ZINC000077340418 571208124 /nfs/dbraw/zinc/20/81/24/571208124.db2.gz IFWUSDCHRKTMFQ-FQEVSTJZSA-N 0 1 371.440 4.525 50 0 FJAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3)c(C)s2)sc1C ZINC000033290103 571230627 /nfs/dbraw/zinc/23/06/27/571230627.db2.gz HCHQSXSVRGLAMT-UHFFFAOYSA-N 0 1 364.517 4.598 50 0 FJAAMN COc1ccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4[nH]3)c2)cc1 ZINC000033328622 571235146 /nfs/dbraw/zinc/23/51/46/571235146.db2.gz ZYJYATDJJNEXCH-UHFFFAOYSA-N 0 1 357.413 4.799 50 0 FJAAMN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2)cc1OC ZINC000036347691 571248770 /nfs/dbraw/zinc/24/87/70/571248770.db2.gz BEPFOWNUEYLBSZ-QHCPKHFHSA-N 0 1 362.473 4.501 50 0 FJAAMN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C)cc2)cc1O ZINC000036348730 571248950 /nfs/dbraw/zinc/24/89/50/571248950.db2.gz UPKMJYQGRIKSPR-HSZRJFAPSA-N 0 1 362.473 4.506 50 0 FJAAMN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2)c(OC)c1 ZINC000036347919 571249073 /nfs/dbraw/zinc/24/90/73/571249073.db2.gz UXBJZGLGOORRKO-QHCPKHFHSA-N 0 1 362.473 4.501 50 0 FJAAMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@H]1c1cccn1C ZINC000036403753 571253539 /nfs/dbraw/zinc/25/35/39/571253539.db2.gz RNQJFOKUSFRFHP-JPYJTQIMSA-N 0 1 373.500 4.856 50 0 FJAAMN Cc1nc(C(F)(F)F)c(CN2CCC[C@@H]2COc2ccccc2)s1 ZINC000170595219 571266342 /nfs/dbraw/zinc/26/63/42/571266342.db2.gz TXLNSVZZYFIOQY-CYBMUJFWSA-N 0 1 356.413 4.514 50 0 FJAAMN Cc1ccc2c(c1)-c1c3ccccc3nc(N3CCN(C)CC3)c1CS2 ZINC000020405354 571329285 /nfs/dbraw/zinc/32/92/85/571329285.db2.gz IIJUPUPOSCJQLR-UHFFFAOYSA-N 0 1 361.514 4.568 50 0 FJAAMN C[C@@H](c1ccccn1)N(C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000095468628 571330557 /nfs/dbraw/zinc/33/05/57/571330557.db2.gz LPYRLUWIVBYJFA-KRWDZBQOSA-N 0 1 350.437 4.993 50 0 FJAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)CC)ccc21 ZINC000020594954 571331591 /nfs/dbraw/zinc/33/15/91/571331591.db2.gz LDKZMLWDOPAUHW-UHFFFAOYSA-N 0 1 356.514 4.561 50 0 FJAAMN CC(C)[C@@H](N[C@@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968209 571333188 /nfs/dbraw/zinc/33/31/88/571333188.db2.gz WNPQMUMEKDHPHG-SJLPKXTDSA-N 0 1 363.274 4.957 50 0 FJAAMN CSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)Oc3cc(O)ccc32)N1 ZINC000002501005 571337547 /nfs/dbraw/zinc/33/75/47/571337547.db2.gz IKQVAWAYEBGDCK-RXVVDRJESA-N 0 1 368.502 4.602 50 0 FJAAMN Cc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2s1 ZINC000002631482 571339609 /nfs/dbraw/zinc/33/96/09/571339609.db2.gz SBLCCDDLDVHSBC-UHFFFAOYSA-N 0 1 373.286 4.712 50 0 FJAAMN C[C@@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000029488289 571342507 /nfs/dbraw/zinc/34/25/07/571342507.db2.gz KTLOUFPCYIBSBC-UZUQRXQVSA-N 0 1 358.485 4.636 50 0 FJAAMN COc1ccc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000003877041 219526878 /nfs/dbraw/zinc/52/68/78/219526878.db2.gz RNIKAWMJDIHKRY-UHFFFAOYSA-N 0 1 367.257 4.853 50 0 FJAAMN COc1ccc(-c2n[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000005529769 219687795 /nfs/dbraw/zinc/68/77/95/219687795.db2.gz UAJGAJITULZZIW-UHFFFAOYSA-N 0 1 351.353 4.624 50 0 FJAAMN CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCCCC1)CCCC2 ZINC000000950032 209384679 /nfs/dbraw/zinc/38/46/79/209384679.db2.gz SEIHYLKRJMDYJI-HXUWFJFHSA-N 0 1 369.534 4.556 50 0 FJAAMN FC(F)(F)c1cnc(COc2ccc([C@H]3NCCS3)cc2)c(Cl)c1 ZINC000263639654 223077827 /nfs/dbraw/zinc/07/78/27/223077827.db2.gz CCMXHWKZDXHGPK-HNNXBMFYSA-N 0 1 374.815 4.668 50 0 FJAAMN CCCc1nc(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n[nH]1 ZINC000048356580 209333188 /nfs/dbraw/zinc/33/31/88/209333188.db2.gz LIMBWOZJGLNFDG-AWEZNQCLSA-N 0 1 366.490 4.863 50 0 FJAAMN CCCc1n[nH]c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000048356580 209333193 /nfs/dbraw/zinc/33/31/93/209333193.db2.gz LIMBWOZJGLNFDG-AWEZNQCLSA-N 0 1 366.490 4.863 50 0 FJAAMN CC1=NN(c2nc3ccccc3[nH]2)C(=O)C1Cc1ccc(C(C)(C)C)cc1 ZINC000100137651 209208793 /nfs/dbraw/zinc/20/87/93/209208793.db2.gz CUXWTNCPWRDJCZ-UHFFFAOYSA-N 0 1 360.461 4.651 50 0 FJAAMN COc1ccc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c(OC)c1C ZINC000097547870 209185988 /nfs/dbraw/zinc/18/59/88/209185988.db2.gz RNLASHJSDOOTIA-IBGZPJMESA-N 0 1 365.477 4.534 50 0 FJAAMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(C)c1 ZINC000012526126 220003236 /nfs/dbraw/zinc/00/32/36/220003236.db2.gz PGDNZKUQCIJFFM-UHFFFAOYSA-N 0 1 363.788 4.776 50 0 FJAAMN C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 ZINC000012533321 220003635 /nfs/dbraw/zinc/00/36/35/220003635.db2.gz QZDQWCPCCJBPIT-ZDUSSCGKSA-N 0 1 357.251 4.955 50 0 FJAAMN CC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000012542514 220004346 /nfs/dbraw/zinc/00/43/46/220004346.db2.gz KELHUHSOZVAWJM-UHFFFAOYSA-N 0 1 373.909 4.746 50 0 FJAAMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccn(Cc2ccccc2)c1 ZINC000097022817 209167082 /nfs/dbraw/zinc/16/70/82/209167082.db2.gz ULZJXKOMINKBIE-GOSISDBHSA-N 0 1 358.489 4.757 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)c3cc(C)sc3C)n2)o1 ZINC000097015539 209166505 /nfs/dbraw/zinc/16/65/05/209166505.db2.gz WOCLUSFKRVQMMH-SREVYHEPSA-N 0 1 359.476 4.530 50 0 FJAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(C)c2C)cc1 ZINC000012886783 220039077 /nfs/dbraw/zinc/03/90/77/220039077.db2.gz RNMKXYGHAAAPRZ-QFIPXVFZSA-N 0 1 366.505 4.868 50 0 FJAAMN COc1cccc(CNCc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 ZINC000012926535 220044030 /nfs/dbraw/zinc/04/40/30/220044030.db2.gz VATSRPODGJQFKQ-UHFFFAOYSA-N 0 1 360.457 4.546 50 0 FJAAMN CN(C)[C@@H](CNC(=O)C1(Cc2ccccc2)CCCCC1)c1cccs1 ZINC000012948280 220046589 /nfs/dbraw/zinc/04/65/89/220046589.db2.gz CGXKGFJPWBDWNY-IBGZPJMESA-N 0 1 370.562 4.660 50 0 FJAAMN C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992685 220049631 /nfs/dbraw/zinc/04/96/31/220049631.db2.gz YETOIUREXXRDSP-IAGOWNOFSA-N 0 1 364.464 4.677 50 0 FJAAMN O=C([C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1)N1CCCCC1 ZINC000096308887 209149834 /nfs/dbraw/zinc/14/98/34/209149834.db2.gz GVGKJNZXCGGJJL-UXHICEINSA-N 0 1 354.519 4.639 50 0 FJAAMN COc1ccccc1[C@H](C)NCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000013020121 220055075 /nfs/dbraw/zinc/05/50/75/220055075.db2.gz CWJWVXOHUQSBAT-IBGZPJMESA-N 0 1 374.484 4.579 50 0 FJAAMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000014186853 220115100 /nfs/dbraw/zinc/11/51/00/220115100.db2.gz WKXDAUUIIGLXBQ-CQSZACIVSA-N 0 1 355.432 4.677 50 0 FJAAMN Cc1ccc(N[C@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc1C ZINC000015074358 220146103 /nfs/dbraw/zinc/14/61/03/220146103.db2.gz CXINDQBHBZLVEM-IBGZPJMESA-N 0 1 366.534 4.627 50 0 FJAAMN Cc1ccc2nc(CCc3cccc(NC(=O)c4cccs4)c3)[nH]c2c1 ZINC000015863588 220169596 /nfs/dbraw/zinc/16/95/96/220169596.db2.gz JLEWUTAXYDHQBP-UHFFFAOYSA-N 0 1 361.470 4.970 50 0 FJAAMN C[C@@H](c1ccccc1)N(C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016047209 220176039 /nfs/dbraw/zinc/17/60/39/220176039.db2.gz IMUIKBFKTPHJPU-SFHVURJKSA-N 0 1 352.478 4.759 50 0 FJAAMN Fc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc(F)cc3F)C2)c1 ZINC000019228114 220240426 /nfs/dbraw/zinc/24/04/26/220240426.db2.gz GCJVVHJCXORYCH-MRXNPFEDSA-N 0 1 371.406 4.874 50 0 FJAAMN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc(F)cc3F)C2)cc1 ZINC000019300285 220249759 /nfs/dbraw/zinc/24/97/59/220249759.db2.gz JYZIYSDUIJRZFQ-MRXNPFEDSA-N 0 1 371.406 4.874 50 0 FJAAMN CSc1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019361472 220253959 /nfs/dbraw/zinc/25/39/59/220253959.db2.gz LMAWUIGHYCDTFN-UHFFFAOYSA-N 0 1 362.542 4.880 50 0 FJAAMN COc1cc(CNCc2cccnc2)ccc1OCc1ccccc1Cl ZINC000004413514 207018598 /nfs/dbraw/zinc/01/85/98/207018598.db2.gz GEIQHDKDASYEDQ-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc42)N3)C1 ZINC000004556144 207027758 /nfs/dbraw/zinc/02/77/58/207027758.db2.gz SKXFROFUGNUYEG-LJQANCHMSA-N 0 1 363.486 4.708 50 0 FJAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(Cl)cc1 ZINC000004679241 207037187 /nfs/dbraw/zinc/03/71/87/207037187.db2.gz YGBBRZRTUHDXDZ-UHFFFAOYSA-N 0 1 359.832 4.601 50 0 FJAAMN Cc1ccc(-c2cnc(NCc3cccc(Br)c3)n2C)cc1 ZINC000004678433 207037311 /nfs/dbraw/zinc/03/73/11/207037311.db2.gz RMIXNNJFOZHAOU-UHFFFAOYSA-N 0 1 356.267 4.770 50 0 FJAAMN COc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1Cl ZINC000004942948 207065643 /nfs/dbraw/zinc/06/56/43/207065643.db2.gz HFQFTRYXVCWILK-UHFFFAOYSA-N 0 1 371.820 4.627 50 0 FJAAMN CN1CCN(c2nc(-c3c[nH]c4ccccc34)c(-c3ccccc3)s2)CC1 ZINC000005156851 207084704 /nfs/dbraw/zinc/08/47/04/207084704.db2.gz GLVTUGODSKQDEU-UHFFFAOYSA-N 0 1 374.513 4.710 50 0 FJAAMN Cc1ccc(N2[C@H]3CCCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000005444423 207100333 /nfs/dbraw/zinc/10/03/33/207100333.db2.gz QKBJYJLZSLIWFC-SFTDATJTSA-N 0 1 356.897 4.516 50 0 FJAAMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C)C2)cc1Cl ZINC000006587757 207147319 /nfs/dbraw/zinc/14/73/19/207147319.db2.gz VVLRHHWLHILNTA-YWZLYKJASA-N 0 1 372.896 4.760 50 0 FJAAMN CCc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)n[nH]2)cc1 ZINC000006942534 207179360 /nfs/dbraw/zinc/17/93/60/207179360.db2.gz XMRHNKWVUXJGRI-UHFFFAOYSA-N 0 1 373.500 4.734 50 0 FJAAMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCCCCC1 ZINC000007378061 207193779 /nfs/dbraw/zinc/19/37/79/207193779.db2.gz YVQBIZCBGWTVKB-NRFANRHFSA-N 0 1 352.478 4.641 50 0 FJAAMN O=C([C@@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1)N1CCCC1 ZINC000008424965 207234426 /nfs/dbraw/zinc/23/44/26/207234426.db2.gz ROBYAMLRFNZIDQ-KRWDZBQOSA-N 0 1 371.893 4.672 50 0 FJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CCCc2ccccc21 ZINC000008685020 207240515 /nfs/dbraw/zinc/24/05/15/207240515.db2.gz VDKITUKOQQPEDK-OAHLLOKOSA-N 0 1 371.893 4.502 50 0 FJAAMN Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)[nH]n2)c1O ZINC000008996159 207253249 /nfs/dbraw/zinc/25/32/49/207253249.db2.gz IZPKNGCQPDYVSP-UHFFFAOYSA-N 0 1 362.216 4.650 50 0 FJAAMN Cc1ccc2nc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)sc2c1 ZINC000010126686 207295485 /nfs/dbraw/zinc/29/54/85/207295485.db2.gz DVQLXRQOGMCQRS-UHFFFAOYSA-N 0 1 368.849 4.901 50 0 FJAAMN Cc1cc(C)cc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010139729 207295777 /nfs/dbraw/zinc/29/57/77/207295777.db2.gz NGQWGWVXQLTNMI-UHFFFAOYSA-N 0 1 361.489 4.603 50 0 FJAAMN Cc1oc(-c2cccs2)nc1CSc1nc(-c2cccs2)n[nH]1 ZINC000010546134 207302840 /nfs/dbraw/zinc/30/28/40/207302840.db2.gz CULKQEBBDJKCCM-UHFFFAOYSA-N 0 1 360.489 4.850 50 0 FJAAMN COc1ccc2oc(=O)cc(CN(C)Cc3ccc(C(C)C)cc3)c2c1 ZINC000033018740 208066542 /nfs/dbraw/zinc/06/65/42/208066542.db2.gz FDEAMAKWHCNLMB-UHFFFAOYSA-N 0 1 351.446 4.557 50 0 FJAAMN CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccsc3)CC2)cc1 ZINC000034683078 208104346 /nfs/dbraw/zinc/10/43/46/208104346.db2.gz KHHOYLAJWBJEBZ-UHFFFAOYSA-N 0 1 370.562 4.964 50 0 FJAAMN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccoc3)CC2)cc1 ZINC000034683497 208105718 /nfs/dbraw/zinc/10/57/18/208105718.db2.gz NDJUKUFVSLEHPE-UHFFFAOYSA-N 0 1 374.484 4.899 50 0 FJAAMN COc1cccc(C(=O)Nc2c(C3CC3)n[nH]c2-c2ccc(Cl)cc2)c1 ZINC000034794356 208108202 /nfs/dbraw/zinc/10/82/02/208108202.db2.gz ZBRWNVPFQBKCDP-UHFFFAOYSA-N 0 1 367.836 4.868 50 0 FJAAMN CCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1c(F)cccc1F ZINC000034794683 208109106 /nfs/dbraw/zinc/10/91/06/208109106.db2.gz JHIIOPSIDXSBID-UHFFFAOYSA-N 0 1 361.779 4.823 50 0 FJAAMN CCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)c1ccccc1Cl ZINC000034796104 208109358 /nfs/dbraw/zinc/10/93/58/208109358.db2.gz KJRMGYGYDJPGNJ-UHFFFAOYSA-N 0 1 355.825 4.553 50 0 FJAAMN O[C@H](Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102646 208145166 /nfs/dbraw/zinc/14/51/66/208145166.db2.gz CPPYRWYTDQXEGJ-JOCHJYFZSA-N 0 1 367.439 4.571 50 0 FJAAMN Cc1ccccc1-c1csc2[nH]c(CN(C)C3CCCCC3)nc(=O)c12 ZINC000036203870 208148951 /nfs/dbraw/zinc/14/89/51/208148951.db2.gz ONCXSYZAMWRVJF-UHFFFAOYSA-N 0 1 367.518 4.725 50 0 FJAAMN COc1cc(OC)cc([C@@H]2c3cccn3CCCN2Cc2ccccc2)c1 ZINC000036347428 208154102 /nfs/dbraw/zinc/15/41/02/208154102.db2.gz XHTBCMJGFPRNSC-HSZRJFAPSA-N 0 1 362.473 4.501 50 0 FJAAMN Fc1ccc(-c2nnc(C3CCN(Cc4cccc(Cl)c4)CC3)o2)cc1 ZINC000070635541 208175487 /nfs/dbraw/zinc/17/54/87/208175487.db2.gz RDXCCRWHTFMROD-UHFFFAOYSA-N 0 1 371.843 4.909 50 0 FJAAMN Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1C ZINC000040478292 208254185 /nfs/dbraw/zinc/25/41/85/208254185.db2.gz DETKHVCAHDZCHB-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN Fc1ccc(COc2ccccc2CNCc2cccnc2)c(Cl)c1 ZINC000040731971 208265705 /nfs/dbraw/zinc/26/57/05/208265705.db2.gz BOFWUDJOWAXVBL-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C ZINC000044856369 208320349 /nfs/dbraw/zinc/32/03/49/208320349.db2.gz WPHKZJQKHTZEGG-GOSISDBHSA-N 0 1 368.496 4.532 50 0 FJAAMN CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1cccs1 ZINC000022687801 220395679 /nfs/dbraw/zinc/39/56/79/220395679.db2.gz WLIOYQNSHOJQQL-LBPRGKRZSA-N 0 1 364.923 4.649 50 0 FJAAMN CCn1c(-c2cc(NC(=O)C3CCCCC3)[nH]n2)cc2c1cccc2OC ZINC000075558828 208888140 /nfs/dbraw/zinc/88/81/40/208888140.db2.gz YPCDIEWAFYGHFM-UHFFFAOYSA-N 0 1 366.465 4.579 50 0 FJAAMN COc1cccc(C[C@@H]2CCCN2Cc2coc(-c3cccs3)n2)c1 ZINC000048290923 221005908 /nfs/dbraw/zinc/00/59/08/221005908.db2.gz BILMVKJJVDYTNW-KRWDZBQOSA-N 0 1 354.475 4.619 50 0 FJAAMN Cc1cc(C)c(NC(=O)CNC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000058163350 221101248 /nfs/dbraw/zinc/10/12/48/221101248.db2.gz LDDODGMMTTVKBF-UHFFFAOYSA-N 0 1 358.485 4.930 50 0 FJAAMN C[C@@H]1CCCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 ZINC000057427726 221089011 /nfs/dbraw/zinc/08/90/11/221089011.db2.gz FMWCJPWJSCACTC-QGZVFWFLSA-N 0 1 363.461 4.548 50 0 FJAAMN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2cccs2)c2ccccc2)cc1F ZINC000057508777 221091000 /nfs/dbraw/zinc/09/10/00/221091000.db2.gz ZKHQUIFVUKEQPE-FOIQADDNSA-N 0 1 368.477 4.902 50 0 FJAAMN COc1ccc([C@H](C)NC(=O)c2cc3c(s2)CN(C2CCCC2)C3)cc1 ZINC000065238996 221184761 /nfs/dbraw/zinc/18/47/61/221184761.db2.gz ZXPRLMZGNXOHMF-AWEZNQCLSA-N 0 1 370.518 4.506 50 0 FJAAMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](CCc4ccccc4C)C3)c2c1 ZINC000071748197 221359248 /nfs/dbraw/zinc/35/92/48/221359248.db2.gz QSKGSTUFONNLDU-SFHVURJKSA-N 0 1 361.489 4.665 50 0 FJAAMN Cc1ccc2nc([C@@H]3CCCN(c4ncnc5ccc(C)cc54)C3)[nH]c2c1 ZINC000095469169 132211518 /nfs/dbraw/zinc/21/15/18/132211518.db2.gz AUUDVFPBMYIAQQ-MRXNPFEDSA-N 0 1 357.461 4.507 50 0 FJAAMN FC(F)(F)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000755530 132378245 /nfs/dbraw/zinc/37/82/45/132378245.db2.gz LUOREXIGGPFXCH-UHFFFAOYSA-N 0 1 354.803 4.681 50 0 FJAAMN FC(F)(F)c1cccc(N2CCN(Cc3ccnc4ccccc34)CC2)c1 ZINC000055142255 136126027 /nfs/dbraw/zinc/12/60/27/136126027.db2.gz PFRFZHSKRFXWJV-UHFFFAOYSA-N 0 1 371.406 4.576 50 0 FJAAMN CSc1nn2c(nc(C)cc2C)c1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000096319425 222115091 /nfs/dbraw/zinc/11/50/91/222115091.db2.gz WNORINSLOYEVLY-UHFFFAOYSA-N 0 1 369.881 4.779 50 0 FJAAMN CCCc1nc2ccc(CCC(=O)NCc3ccc(F)c(Cl)c3)cc2[nH]1 ZINC000096332870 222116035 /nfs/dbraw/zinc/11/60/35/222116035.db2.gz QSZMMPDSCIGJNG-UHFFFAOYSA-N 0 1 373.859 4.557 50 0 FJAAMN CCn1c(-c2cc(NC(=O)c3cccc(C)c3)[nH]n2)cc2c1cccc2OC ZINC000096400301 222120170 /nfs/dbraw/zinc/12/01/70/222120170.db2.gz ZSZCKRLOXISNLX-UHFFFAOYSA-N 0 1 374.444 4.621 50 0 FJAAMN CCOc1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000011957168 263368751 /nfs/dbraw/zinc/36/87/51/263368751.db2.gz NSKXDJCEPYVQBU-QGZVFWFLSA-N 0 1 373.880 4.539 50 0 FJAAMN CCOc1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)ccc1O ZINC000011957173 263369047 /nfs/dbraw/zinc/36/90/47/263369047.db2.gz NSKXDJCEPYVQBU-KRWDZBQOSA-N 0 1 373.880 4.539 50 0 FJAAMN Cc1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000020454387 263380296 /nfs/dbraw/zinc/38/02/96/263380296.db2.gz ZCFPIWLMKNEWIN-HXUWFJFHSA-N 0 1 373.500 4.515 50 0 FJAAMN CCCCC[C@@](O)(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020440602 263380846 /nfs/dbraw/zinc/38/08/46/263380846.db2.gz KABHBZDXXJZWEM-BJKOFHAPSA-N 0 1 367.533 4.571 50 0 FJAAMN CC(C)N1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H]1C ZINC000426484463 263601117 /nfs/dbraw/zinc/60/11/17/263601117.db2.gz MPXWOAZCMKXUFC-HNNXBMFYSA-N 0 1 374.887 4.701 50 0 FJAAMN Cc1cccc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000020889825 524630796 /nfs/dbraw/zinc/63/07/96/524630796.db2.gz MKDHYRNJFVUTOE-UHFFFAOYSA-N 0 1 371.912 4.682 50 0 FJAAMN c1csc(-c2noc(CN3CCCC[C@H]3CCc3ccccc3)n2)c1 ZINC000012585321 526576073 /nfs/dbraw/zinc/57/60/73/526576073.db2.gz WVSUSAKFWHBFHR-KRWDZBQOSA-N 0 1 353.491 4.785 50 0 FJAAMN O=C(NCCC1=CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020100355 527622842 /nfs/dbraw/zinc/62/28/42/527622842.db2.gz MEWGUUKOEMFQMR-UHFFFAOYSA-N 0 1 360.929 4.559 50 0 FJAAMN Cc1cccc2nc(CCNC(=O)[C@H](c3ccccc3)C3CCCC3)[nH]c21 ZINC000215558345 568076782 /nfs/dbraw/zinc/07/67/82/568076782.db2.gz LXLUBYHPCQSNKA-OAQYLSRUSA-N 0 1 361.489 4.504 50 0 FJAAMN COc1cc(OC)c(CN2CCC[C@@H]3CCCC[C@@H]32)cc1Br ZINC000000757293 570455462 /nfs/dbraw/zinc/45/54/62/570455462.db2.gz HTDDXJUOHOGXSM-BBRMVZONSA-N 0 1 368.315 4.621 50 0 FJAAMN O=C(NC1CC1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023304745 570472177 /nfs/dbraw/zinc/47/21/77/570472177.db2.gz YGDBDCGGAACSGN-UHFFFAOYSA-N 0 1 372.255 4.943 50 0 FJAAMN Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc(Cl)cc1 ZINC000001400714 570498900 /nfs/dbraw/zinc/49/89/00/570498900.db2.gz XTXKUSRZJFEIQB-UHFFFAOYSA-N 0 1 352.743 4.813 50 0 FJAAMN O=C(c1cccc(Br)c1)c1ccccc1CN1CCCCC1 ZINC000002515502 570523777 /nfs/dbraw/zinc/52/37/77/570523777.db2.gz PPYBMWUCGNYYDW-UHFFFAOYSA-N 0 1 358.279 4.666 50 0 FJAAMN CCOCc1ccccc1NC(=O)c1[nH]c(-c2cccc(Cl)c2)nc1C ZINC000158539145 570545354 /nfs/dbraw/zinc/54/53/54/570545354.db2.gz SIRKYORUIJIOPG-UHFFFAOYSA-N 0 1 369.852 4.827 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000034794325 570557481 /nfs/dbraw/zinc/55/74/81/570557481.db2.gz NPQQLILBWWJCSF-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)Nc1ccc(F)cc1 ZINC000034796748 570559398 /nfs/dbraw/zinc/55/93/98/570559398.db2.gz AOMHXTGNSVNZOZ-UHFFFAOYSA-N 0 1 366.396 4.746 50 0 FJAAMN OCCN1CCC(=C2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000004128775 570577645 /nfs/dbraw/zinc/57/76/45/570577645.db2.gz MDIWTQRVFGMFSH-UHFFFAOYSA-N 0 1 371.933 4.836 50 0 FJAAMN Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1C ZINC000005121370 570586370 /nfs/dbraw/zinc/58/63/70/570586370.db2.gz RMKAUGVSVNOPLI-UHFFFAOYSA-N 0 1 374.687 4.520 50 0 FJAAMN COc1cccc(CNCc2ccncc2)c1OCc1ccccc1Cl ZINC000004413567 570590305 /nfs/dbraw/zinc/59/03/05/570590305.db2.gz YTCZFRKEPVOIFA-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCOc1cc(Br)c(CN[C@H](C)c2ccccc2)cc1OC ZINC000004856505 570610794 /nfs/dbraw/zinc/61/07/94/570610794.db2.gz GAKDMWVYOSORAG-CYBMUJFWSA-N 0 1 364.283 4.707 50 0 FJAAMN Fc1ccccc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000004980376 570615587 /nfs/dbraw/zinc/61/55/87/570615587.db2.gz MGGPFKOOBLGZBT-UHFFFAOYSA-N 0 1 358.460 4.719 50 0 FJAAMN C/C(=C\c1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004980461 570615848 /nfs/dbraw/zinc/61/58/48/570615848.db2.gz UOOHIEVBGWOZBE-SAPNQHFASA-N 0 1 360.423 4.931 50 0 FJAAMN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1Cc1ccccc1F ZINC000005151090 570621701 /nfs/dbraw/zinc/62/17/01/570621701.db2.gz KDSGEFWXLQJWCW-PMOQBDJRSA-N 0 1 369.480 4.703 50 0 FJAAMN Cc1ccc2nc(SCC(=O)c3cccc(Br)c3)[nH]c2c1 ZINC000005357843 570649245 /nfs/dbraw/zinc/64/92/45/570649245.db2.gz CQCPPOGVLINVRZ-UHFFFAOYSA-N 0 1 361.264 4.609 50 0 FJAAMN Cc1[nH]c(S[C@@H](C)C(=O)Nc2cccc(C)c2)nc1Cc1ccccc1 ZINC000008719821 570684741 /nfs/dbraw/zinc/68/47/41/570684741.db2.gz QRRJRADNOFWVAC-INIZCTEOSA-N 0 1 365.502 4.737 50 0 FJAAMN CCOc1ccc(CNCc2ccccc2Cl)cc1Br ZINC000010474108 570701381 /nfs/dbraw/zinc/70/13/81/570701381.db2.gz JGKXBWCAXGSSTK-UHFFFAOYSA-N 0 1 354.675 4.791 50 0 FJAAMN COCCCC1CCN(Cc2nc(-c3ccc(OC)c(C)c3)oc2C)CC1 ZINC000012224183 570729542 /nfs/dbraw/zinc/72/95/42/570729542.db2.gz UDMUZXMZSNHBSB-UHFFFAOYSA-N 0 1 372.509 4.606 50 0 FJAAMN Cc1cc(CN(C)C(=O)C[C@H](c2ccccc2)c2ccccc2Cl)n[nH]1 ZINC000012300986 570733725 /nfs/dbraw/zinc/73/37/25/570733725.db2.gz PCAKHWJMBBTFAC-LJQANCHMSA-N 0 1 367.880 4.552 50 0 FJAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012702482 570756936 /nfs/dbraw/zinc/75/69/36/570756936.db2.gz JYPRTEYNYRBMSX-SFHVURJKSA-N 0 1 373.928 4.829 50 0 FJAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012987344 570770858 /nfs/dbraw/zinc/77/08/58/570770858.db2.gz NIYSMEOVXITJQH-NRFANRHFSA-N 0 1 366.505 4.868 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(NCc3ccccc3)n2)c1O ZINC000013125549 570774151 /nfs/dbraw/zinc/77/41/51/570774151.db2.gz PRMOGYNWUAGZFA-UHFFFAOYSA-N 0 1 357.413 4.623 50 0 FJAAMN O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC000013151398 570774604 /nfs/dbraw/zinc/77/46/04/570774604.db2.gz REWBQALRGUBTNO-UHFFFAOYSA-N 0 1 372.472 4.780 50 0 FJAAMN Brc1cc(CNCc2ccco2)ccc1OCc1ccccc1 ZINC000010475371 570803927 /nfs/dbraw/zinc/80/39/27/570803927.db2.gz GKDXOIWDDNQKMT-UHFFFAOYSA-N 0 1 372.262 4.911 50 0 FJAAMN Cc1sc2[nH]c([C@H](C)N[C@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233870 570814370 /nfs/dbraw/zinc/81/43/70/570814370.db2.gz KVZOMRKOXNTJCW-KGLIPLIRSA-N 0 1 355.507 4.630 50 0 FJAAMN Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NCc2ccc(F)c(F)c2)c1 ZINC000014977542 570828115 /nfs/dbraw/zinc/82/81/15/570828115.db2.gz JSQWADIYAHYYOK-NRFANRHFSA-N 0 1 367.443 4.935 50 0 FJAAMN COc1ccc2cc(-c3n[nH]cc3CN(C)Cc3ccsc3)ccc2c1 ZINC000015073083 570831573 /nfs/dbraw/zinc/83/15/73/570831573.db2.gz GBVYRULRZREDQQ-UHFFFAOYSA-N 0 1 363.486 4.932 50 0 FJAAMN Cc1cccc(OCCN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000015100387 570833529 /nfs/dbraw/zinc/83/35/29/570833529.db2.gz URPQDWKJXQLKOA-UHFFFAOYSA-N 0 1 371.864 4.574 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)cc1 ZINC000051315495 570864045 /nfs/dbraw/zinc/86/40/45/570864045.db2.gz RJFWTQLIKSOWMP-UHFFFAOYSA-N 0 1 355.825 4.690 50 0 FJAAMN C[C@@H](NC(=O)CN(C)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000105714110 570874228 /nfs/dbraw/zinc/87/42/28/570874228.db2.gz VDAIFANXYRXOQG-HXOBKFHXSA-N 0 1 358.485 4.636 50 0 FJAAMN COC(=O)c1cccc(Nc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000018067279 570874863 /nfs/dbraw/zinc/87/48/63/570874863.db2.gz LPZSQDVZARJICN-UHFFFAOYSA-N 0 1 371.396 4.533 50 0 FJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1C ZINC000044837249 570900338 /nfs/dbraw/zinc/90/03/38/570900338.db2.gz NCRLRNMZFUCLBN-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1cccs1 ZINC000022687805 570948097 /nfs/dbraw/zinc/94/80/97/570948097.db2.gz WLIOYQNSHOJQQL-GFCCVEGCSA-N 0 1 364.923 4.649 50 0 FJAAMN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025087624 570990718 /nfs/dbraw/zinc/99/07/18/570990718.db2.gz QQEQROZDOXMQPS-GOSISDBHSA-N 0 1 365.864 4.577 50 0 FJAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1ccccc1F ZINC000027582785 571015282 /nfs/dbraw/zinc/01/52/82/571015282.db2.gz UTVWPQLMMUSJDC-FQEVSTJZSA-N 0 1 374.887 4.826 50 0 FJAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1ccc(F)cc1 ZINC000027582757 571015299 /nfs/dbraw/zinc/01/52/99/571015299.db2.gz UQLPIZBHSTYUDB-HXUWFJFHSA-N 0 1 374.887 4.826 50 0 FJAAMN Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 ZINC000027749350 571020523 /nfs/dbraw/zinc/02/05/23/571020523.db2.gz LRKCBFPBUHVCBQ-OAQYLSRUSA-N 0 1 370.924 4.996 50 0 FJAAMN CCc1ccc(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)c1 ZINC000027749930 571020604 /nfs/dbraw/zinc/02/06/04/571020604.db2.gz ODRMFWPYWKXDRG-UHFFFAOYSA-N 0 1 355.825 4.559 50 0 FJAAMN O=C([C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1)N1CCCC1 ZINC000008424967 571046433 /nfs/dbraw/zinc/04/64/33/571046433.db2.gz ROBYAMLRFNZIDQ-QGZVFWFLSA-N 0 1 371.893 4.672 50 0 FJAAMN COc1ccc(C)cc1[C@H](C)NCc1ccc(OCc2ccncc2)cc1 ZINC000030628300 571048518 /nfs/dbraw/zinc/04/85/18/571048518.db2.gz LWILGYLIPWKHJS-SFHVURJKSA-N 0 1 362.473 4.828 50 0 FJAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2F)nc1Cc1ccccc1 ZINC000008719819 571057389 /nfs/dbraw/zinc/05/73/89/571057389.db2.gz KOJZDRFYNFKSQH-CQSZACIVSA-N 0 1 369.465 4.567 50 0 FJAAMN CCCc1ccc(OCCN2CCCC[C@@H]2c2cccnc2)c(OC)c1 ZINC000008739200 571058647 /nfs/dbraw/zinc/05/86/47/571058647.db2.gz ALSNXLQLDUXAAR-HXUWFJFHSA-N 0 1 354.494 4.649 50 0 FJAAMN Cc1[nH]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1cccc(Cl)c1 ZINC000001400719 571061499 /nfs/dbraw/zinc/06/14/99/571061499.db2.gz CDTFJQYRWAWYIM-UHFFFAOYSA-N 0 1 352.743 4.813 50 0 FJAAMN Cc1ccc(C(=O)C2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000040086188 571073688 /nfs/dbraw/zinc/07/36/88/571073688.db2.gz QZPPATDVCPDQJC-NRFANRHFSA-N 0 1 371.908 4.585 50 0 FJAAMN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2cccc(C)n2)cc1 ZINC000039508862 571089142 /nfs/dbraw/zinc/08/91/42/571089142.db2.gz AHOUWNOPYNOKIC-OAQYLSRUSA-N 0 1 360.505 4.687 50 0 FJAAMN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2cccc(C)n2)cc1 ZINC000039508864 571089376 /nfs/dbraw/zinc/08/93/76/571089376.db2.gz AHOUWNOPYNOKIC-NRFANRHFSA-N 0 1 360.505 4.687 50 0 FJAAMN O=c1c2ccccc2[nH]c(=S)n1CCOc1ccccc1-c1ccccc1 ZINC000084562876 571089669 /nfs/dbraw/zinc/08/96/69/571089669.db2.gz VQBYEENJLAQWHW-UHFFFAOYSA-N 0 1 374.465 4.805 50 0 FJAAMN Cc1cccc(COc2ccc(Cl)cc2CNCc2ccncc2)c1 ZINC000040742941 571095571 /nfs/dbraw/zinc/09/55/71/571095571.db2.gz JACFVPBQSFGJOY-UHFFFAOYSA-N 0 1 352.865 4.912 50 0 FJAAMN O=c1c2ccccc2[nH]c(=S)n1[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000069630241 571100450 /nfs/dbraw/zinc/10/04/50/571100450.db2.gz OPQSUJDSBXPIDB-INIZCTEOSA-N 0 1 374.412 4.586 50 0 FJAAMN CC1CCN([C@H](CNC(=O)c2cc3ccccc3o2)c2cccs2)CC1 ZINC000033028229 571109942 /nfs/dbraw/zinc/10/99/42/571109942.db2.gz VGTYQRRLOORCDS-QGZVFWFLSA-N 0 1 368.502 4.697 50 0 FJAAMN CC(=O)Nc1ccc(CN(Cc2ccc(C)s2)Cc2ccncc2)cc1 ZINC000055253873 571118855 /nfs/dbraw/zinc/11/88/55/571118855.db2.gz TZGKGZKMYQQDMB-UHFFFAOYSA-N 0 1 365.502 4.612 50 0 FJAAMN CC(C)(C)c1cc(C2N=NC(=S)N2c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000004625891 571122674 /nfs/dbraw/zinc/12/26/74/571122674.db2.gz OZPGFOZATVQTPY-UHFFFAOYSA-N 0 1 368.293 4.550 50 0 FJAAMN CSc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000058164889 571126669 /nfs/dbraw/zinc/12/66/69/571126669.db2.gz KGVLCXYELREGMQ-UHFFFAOYSA-N 0 1 353.487 4.764 50 0 FJAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccccc3OCC)c2c1 ZINC000000952828 571140355 /nfs/dbraw/zinc/14/03/55/571140355.db2.gz HTUAFIBMIMGPKB-UHFFFAOYSA-N 0 1 350.418 4.862 50 0 FJAAMN c1coc(-c2cc(CN3CCC[C@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000012912247 571143985 /nfs/dbraw/zinc/14/39/85/571143985.db2.gz HQRGGSGPGVRJQI-AWEZNQCLSA-N 0 1 365.458 4.924 50 0 FJAAMN Cc1onc(-c2ccccc2Cl)c1-c1nc(CCc2ccccc2)n[nH]1 ZINC000067724903 571148813 /nfs/dbraw/zinc/14/88/13/571148813.db2.gz PDCASDYTYGNDPG-UHFFFAOYSA-N 0 1 364.836 4.874 50 0 FJAAMN Clc1ccc2nc(-c3ccccc3OCCCn3ccnc3)[nH]c2c1 ZINC000067739511 571148854 /nfs/dbraw/zinc/14/88/54/571148854.db2.gz ZZWQFLRUARJMBE-UHFFFAOYSA-N 0 1 352.825 4.549 50 0 FJAAMN O=C([O-])[C@@H]1CCC[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004678965 571158577 /nfs/dbraw/zinc/15/85/77/571158577.db2.gz BDFHBICZVAVNCD-QFIPXVFZSA-N 0 1 357.453 4.528 50 0 FJAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccccc1F ZINC000004678312 571158622 /nfs/dbraw/zinc/15/86/22/571158622.db2.gz XDFUBSUMJUBCPL-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN Cc1nc(CN2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)co1 ZINC000071639690 571163257 /nfs/dbraw/zinc/16/32/57/571163257.db2.gz NWUHIZHXYFSYOR-INIZCTEOSA-N 0 1 352.400 4.847 50 0 FJAAMN COc1ccc([C@@H](C)NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1 ZINC000075478774 571188903 /nfs/dbraw/zinc/18/89/03/571188903.db2.gz PGURKUFNQGSCBI-OAHLLOKOSA-N 0 1 365.477 4.505 50 0 FJAAMN Cc1cc2cc(C(=O)N3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)ccc2o1 ZINC000072432799 571195973 /nfs/dbraw/zinc/19/59/73/571195973.db2.gz PEIZXURAWLSWLM-SFHVURJKSA-N 0 1 363.392 4.734 50 0 FJAAMN CCn1c(-c2cc(NC(=O)CCC3CCCC3)[nH]n2)cc2ccccc21 ZINC000075558564 571200386 /nfs/dbraw/zinc/20/03/86/571200386.db2.gz DUPSNGHXMHNAKP-UHFFFAOYSA-N 0 1 350.466 4.960 50 0 FJAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)C2CCCCC2)[nH]n1 ZINC000075558758 571200674 /nfs/dbraw/zinc/20/06/74/571200674.db2.gz NPNZWPAGXYDFDX-UHFFFAOYSA-N 0 1 350.466 4.879 50 0 FJAAMN CC(C)c1cc([C@H]2CCCN2Cc2c[nH]nc2-c2ccc(F)cc2)on1 ZINC000075448591 571203065 /nfs/dbraw/zinc/20/30/65/571203065.db2.gz DQNXBNQXKWYAIN-GOSISDBHSA-N 0 1 354.429 4.664 50 0 FJAAMN Cc1[nH]c(SCC(=O)c2ccc(F)c(F)c2)nc1Cc1ccccc1 ZINC000012623252 571204594 /nfs/dbraw/zinc/20/45/94/571204594.db2.gz CAJYDJLGSNGLFJ-UHFFFAOYSA-N 0 1 358.413 4.562 50 0 FJAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3conc3-c3ccccc3)[nH]c2c1 ZINC000082109453 571228623 /nfs/dbraw/zinc/22/86/23/571228623.db2.gz HGIMJVMUHWGTSF-LJQANCHMSA-N 0 1 372.428 4.504 50 0 FJAAMN COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000043781325 571233410 /nfs/dbraw/zinc/23/34/10/571233410.db2.gz OXCQUKDMBDEMIN-UHFFFAOYSA-N 0 1 362.216 4.644 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3Cl)[nH]c2c1 ZINC000006908882 571254257 /nfs/dbraw/zinc/25/42/57/571254257.db2.gz DXVKLLFSFULYLL-UHFFFAOYSA-N 0 1 359.882 4.872 50 0 FJAAMN C[C@H](NC(=O)CN(C)[C@@H]1CCCc2ccccc21)c1cc2ccccc2o1 ZINC000007583319 571277792 /nfs/dbraw/zinc/27/77/92/571277792.db2.gz IEZHWEMEHSASTR-OXJNMPFZSA-N 0 1 362.473 4.619 50 0 FJAAMN O=C(Nc1cc(Cl)ccc1F)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412736 571343296 /nfs/dbraw/zinc/34/32/96/571343296.db2.gz YTNQAWPXIHMGFN-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C)C2)cc1Cl ZINC000003303529 571346986 /nfs/dbraw/zinc/34/69/86/571346986.db2.gz VVLRHHWLHILNTA-MGPUTAFESA-N 0 1 372.896 4.760 50 0 FJAAMN Cc1cc(-c2nnc(CSc3nc4ccc(Cl)cc4[nH]3)o2)c(C)o1 ZINC000008013320 571358459 /nfs/dbraw/zinc/35/84/59/571358459.db2.gz ARUGDEDIQAWXHF-UHFFFAOYSA-N 0 1 360.826 4.768 50 0 FJAAMN c1c(CNCc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1 ZINC000248138546 209925809 /nfs/dbraw/zinc/92/58/09/209925809.db2.gz SOXIAXYMXKUNMN-UHFFFAOYSA-N 0 1 366.468 4.856 50 0 FJAAMN CC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000001027880 219355012 /nfs/dbraw/zinc/35/50/12/219355012.db2.gz ZTZSRMTVRCPQJT-UHFFFAOYSA-N 0 1 371.483 4.727 50 0 FJAAMN Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(F)c1 ZINC000004678311 219594507 /nfs/dbraw/zinc/59/45/07/219594507.db2.gz ITZQSXGCDDSHOR-UHFFFAOYSA-N 0 1 360.230 4.601 50 0 FJAAMN CCOP(=O)(OCC)[C@H](Sc1ccc(C)cc1)C(=O)N(CC)CC ZINC000001821882 209393463 /nfs/dbraw/zinc/39/34/63/209393463.db2.gz PEVCUUGIMZXVIF-QGZVFWFLSA-N 0 1 373.455 4.548 50 0 FJAAMN O=C(CCCSc1nc(C=Cc2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000098002992 209202571 /nfs/dbraw/zinc/20/25/71/209202571.db2.gz UFSYWMZAXZSZFF-RAXLEYEMSA-N 0 1 367.449 4.869 50 0 FJAAMN O=C(c1ccc(CN2CCCC2)o1)N(Cc1ccsc1)C1CCCCC1 ZINC000097553390 209185924 /nfs/dbraw/zinc/18/59/24/209185924.db2.gz PVTRNSLMGGWARQ-UHFFFAOYSA-N 0 1 372.534 4.912 50 0 FJAAMN Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@@H]2c2c(C)noc2C)n1 ZINC000097347505 209178126 /nfs/dbraw/zinc/17/81/26/209178126.db2.gz VNFQJXHVGXDRAZ-HXUWFJFHSA-N 0 1 368.456 4.570 50 0 FJAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000012759949 220026289 /nfs/dbraw/zinc/02/62/89/220026289.db2.gz OVFZPLNLYLGCGN-OAHLLOKOSA-N 0 1 370.905 4.559 50 0 FJAAMN C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000012992691 220049484 /nfs/dbraw/zinc/04/94/84/220049484.db2.gz YETOIUREXXRDSP-IRXDYDNUSA-N 0 1 364.464 4.677 50 0 FJAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(F)cc1)c1ccccc1Cl ZINC000096281961 209148540 /nfs/dbraw/zinc/14/85/40/209148540.db2.gz PHFUZSFUFJKCRX-UHFFFAOYSA-N 0 1 355.800 4.999 50 0 FJAAMN COc1ccc(Nc2nc(-c3cccc(OC)c3O)nc3ccccc32)cc1 ZINC000013125548 220059085 /nfs/dbraw/zinc/05/90/85/220059085.db2.gz GPXOBYSWOMBQKA-UHFFFAOYSA-N 0 1 373.412 4.763 50 0 FJAAMN COc1ccc2nc(SCc3nc4ccccc4n3C(F)F)[nH]c2c1 ZINC000014901662 220135566 /nfs/dbraw/zinc/13/55/66/220135566.db2.gz SQQRBLBRUMKGMK-UHFFFAOYSA-N 0 1 360.389 4.609 50 0 FJAAMN Cc1c([C@@H](C)NCc2ccccc2OC(F)F)cnn1-c1ccccc1 ZINC000015076034 220145570 /nfs/dbraw/zinc/14/55/70/220145570.db2.gz PFEMJGKEPISYJY-CQSZACIVSA-N 0 1 357.404 4.633 50 0 FJAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCCC[C@@H]1CO ZINC000015072488 220145696 /nfs/dbraw/zinc/14/56/96/220145696.db2.gz PNJICVHJGOOWOE-OAQYLSRUSA-N 0 1 362.473 4.664 50 0 FJAAMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cccc(Br)c1 ZINC000017318757 220213659 /nfs/dbraw/zinc/21/36/59/220213659.db2.gz SBJXNWDGUDTGFP-UHFFFAOYSA-N 0 1 370.294 4.541 50 0 FJAAMN O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000299764227 206637513 /nfs/dbraw/zinc/63/75/13/206637513.db2.gz YLWOIFXQBRXBLB-QGZVFWFLSA-N 0 1 369.465 4.620 50 0 FJAAMN OCCNC(=Nc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000002948045 206947319 /nfs/dbraw/zinc/94/73/19/206947319.db2.gz SNGWUMDVWCKFTI-UHFFFAOYSA-N 0 1 364.876 4.751 50 0 FJAAMN CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)N1CCCCC1)CCCC2 ZINC000004193658 207006477 /nfs/dbraw/zinc/00/64/77/207006477.db2.gz PWNZQDIWJUPQCS-HXUWFJFHSA-N 0 1 369.534 4.556 50 0 FJAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1Cl ZINC000004679431 207037230 /nfs/dbraw/zinc/03/72/30/207037230.db2.gz ISMZHFQHLZJOCO-UHFFFAOYSA-N 0 1 359.832 4.601 50 0 FJAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000006651520 207152402 /nfs/dbraw/zinc/15/24/02/207152402.db2.gz FYEVHQRGMWNDPU-UHFFFAOYSA-N 0 1 367.898 4.755 50 0 FJAAMN CCN[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000006787842 207165439 /nfs/dbraw/zinc/16/54/39/207165439.db2.gz FPVUFPORQBOBEO-HNNXBMFYSA-N 0 1 356.775 4.648 50 0 FJAAMN COc1ccc(-n2c(=S)[nH]nc2[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000007275915 207192578 /nfs/dbraw/zinc/19/25/78/207192578.db2.gz QKLMFWKDGOWBSV-JKSUJKDBSA-N 0 1 357.866 4.863 50 0 FJAAMN COc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCCC2)cc1 ZINC000008136137 207220995 /nfs/dbraw/zinc/22/09/95/207220995.db2.gz AYKHSRDKTSPVIR-KRWDZBQOSA-N 0 1 367.493 4.515 50 0 FJAAMN CCOc1cc2c(cc1CNCc1ccc(C(F)(F)F)cc1)O[C@@H](C)C2 ZINC000008402990 207232035 /nfs/dbraw/zinc/23/20/35/207232035.db2.gz QKINWPVWWBGEGI-ZDUSSCGKSA-N 0 1 365.395 4.717 50 0 FJAAMN COc1cccc(CNCc2ccccc2)c1OCc1ccc(F)cc1 ZINC000008495399 207235553 /nfs/dbraw/zinc/23/55/53/207235553.db2.gz XZPFYJRWEJLEFO-UHFFFAOYSA-N 0 1 351.421 4.703 50 0 FJAAMN CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2C(C)C ZINC000009942782 207290235 /nfs/dbraw/zinc/29/02/35/207290235.db2.gz BQZBDVIEFPDJLQ-UHFFFAOYSA-N 0 1 356.514 4.588 50 0 FJAAMN CSc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000011998755 207332059 /nfs/dbraw/zinc/33/20/59/207332059.db2.gz DLSMEKGQVHDROD-CQSZACIVSA-N 0 1 355.482 4.893 50 0 FJAAMN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000011874291 207328040 /nfs/dbraw/zinc/32/80/40/207328040.db2.gz FHLGMVCRCMXFMI-QHCPKHFHSA-N 0 1 356.469 4.844 50 0 FJAAMN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4cccc(C)n4)C3)ccc2c1 ZINC000011932694 207329161 /nfs/dbraw/zinc/32/91/61/207329161.db2.gz XXLDPDOCCFMHIA-NRFANRHFSA-N 0 1 374.484 4.647 50 0 FJAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN(CCO)C(C)C ZINC000012315418 207359922 /nfs/dbraw/zinc/35/99/22/207359922.db2.gz CHVWMSPMCIIYOG-UHFFFAOYSA-N 0 1 350.462 4.520 50 0 FJAAMN COc1ccc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1 ZINC000012531777 207387258 /nfs/dbraw/zinc/38/72/58/207387258.db2.gz FYTFHHZCQDMWEC-SECBINFHSA-N 0 1 358.448 4.536 50 0 FJAAMN CCSc1ccc(NS(=O)(=O)c2cccc3nc(C)sc32)cc1 ZINC000030836271 208005974 /nfs/dbraw/zinc/00/59/74/208005974.db2.gz PCXUJOWAMRSBHZ-UHFFFAOYSA-N 0 1 364.517 4.518 50 0 FJAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(C)c3)c(C)s2)n1 ZINC000033290010 208081558 /nfs/dbraw/zinc/08/15/58/208081558.db2.gz PTQWXNWXHYBHBI-UHFFFAOYSA-N 0 1 364.517 4.598 50 0 FJAAMN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccsc2)CC1 ZINC000034682763 208104602 /nfs/dbraw/zinc/10/46/02/208104602.db2.gz VWOAVTGIIGJXLQ-UHFFFAOYSA-N 0 1 360.498 4.685 50 0 FJAAMN CCc1n[nH]c(-c2cccc(Cl)c2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034794680 208108495 /nfs/dbraw/zinc/10/84/95/208108495.db2.gz SESGFFLLUCAMLX-UHFFFAOYSA-N 0 1 361.779 4.823 50 0 FJAAMN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(C)cc2)cc1O ZINC000036348728 208155697 /nfs/dbraw/zinc/15/56/97/208155697.db2.gz UPKMJYQGRIKSPR-QHCPKHFHSA-N 0 1 362.473 4.506 50 0 FJAAMN CC(C)CCN[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 ZINC000039143242 208208976 /nfs/dbraw/zinc/20/89/76/208208976.db2.gz AYVXWNDWJXSNJK-PGRDOPGGSA-N 0 1 350.506 4.798 50 0 FJAAMN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037559962 208182107 /nfs/dbraw/zinc/18/21/07/208182107.db2.gz UGDGXUNVBPESLA-UHFFFAOYSA-N 0 1 372.459 4.763 50 0 FJAAMN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)ccc1Br ZINC000040478365 208255429 /nfs/dbraw/zinc/25/54/29/208255429.db2.gz NKTOOBVOPKHXAP-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN O=[P@]([O-])(CCc1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000020566952 220333503 /nfs/dbraw/zinc/33/35/03/220333503.db2.gz LGAYKRRLZVMOOE-QFIPXVFZSA-N 0 1 365.413 4.988 50 0 FJAAMN Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061229955 208597267 /nfs/dbraw/zinc/59/72/67/208597267.db2.gz OZXAJKADYMHVKT-MRXNPFEDSA-N 0 1 368.506 4.737 50 0 FJAAMN COC(=O)Nc1nc2cc(Cl)c(Oc3cccc4ccccc43)cc2[nH]1 ZINC000040379644 208591832 /nfs/dbraw/zinc/59/18/32/208591832.db2.gz FRFSZFAWXNDKAV-UHFFFAOYSA-N 0 1 367.792 4.762 50 0 FJAAMN COc1cccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)c1 ZINC000020864918 220342759 /nfs/dbraw/zinc/34/27/59/220342759.db2.gz LHTJIRMYTXFCQU-FQEVSTJZSA-N 0 1 350.487 4.619 50 0 FJAAMN Cc1nc(CNC(=O)Nc2sc3ccccc3c2Cl)c2ccccn12 ZINC000089708975 208967408 /nfs/dbraw/zinc/96/74/08/208967408.db2.gz BJYZGUCOGMCCNO-UHFFFAOYSA-N 0 1 370.865 4.833 50 0 FJAAMN Cc1c(=O)[n-]c(-c2ccccc2C[N@@H+](C)CCC(C)C)nc1C(F)(F)F ZINC000048194570 221000909 /nfs/dbraw/zinc/00/09/09/221000909.db2.gz UGODATRATNHSNP-UHFFFAOYSA-N 0 1 367.415 4.654 50 0 FJAAMN Cc1c(=O)[n-]c(-c2ccccc2C[N@H+](C)CCC(C)C)nc1C(F)(F)F ZINC000048194570 221000911 /nfs/dbraw/zinc/00/09/11/221000911.db2.gz UGODATRATNHSNP-UHFFFAOYSA-N 0 1 367.415 4.654 50 0 FJAAMN Cc1ccsc1CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccn1 ZINC000055120026 221059790 /nfs/dbraw/zinc/05/97/90/221059790.db2.gz RZUZWBFMFZQUAN-UHFFFAOYSA-N 0 1 354.523 4.675 50 0 FJAAMN Cc1ccc(SCC[N@H+](C)Cc2c3cc(C)ccc3[nH]c2C(=O)[O-])cc1 ZINC000055244030 221062631 /nfs/dbraw/zinc/06/26/31/221062631.db2.gz QUQFHVZTMMXBQK-UHFFFAOYSA-N 0 1 368.502 4.707 50 0 FJAAMN Cc1ccc(NS(=O)(=O)c2cccnc2Nc2ccc(C)c(C)c2)cc1 ZINC000064757498 221150811 /nfs/dbraw/zinc/15/08/11/221150811.db2.gz CTHNUXLSAXLQTD-UHFFFAOYSA-N 0 1 367.474 4.551 50 0 FJAAMN C[C@H](CCN1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1 ZINC000065394218 221209862 /nfs/dbraw/zinc/20/98/62/221209862.db2.gz CCHFKEPJJFDZIG-QGZVFWFLSA-N 0 1 367.518 4.562 50 0 FJAAMN COc1ccccc1C[C@@H]1CCCN1Cc1cc(Cl)nc(Cl)c1 ZINC000070016988 221330394 /nfs/dbraw/zinc/33/03/94/221330394.db2.gz ZSIIOLCRFLSNJD-HNNXBMFYSA-N 0 1 351.277 4.604 50 0 FJAAMN Cc1nc2c(cccc2C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)[nH]1 ZINC000071479677 221350318 /nfs/dbraw/zinc/35/03/18/221350318.db2.gz FACBHYPKLVSSNU-SFHVURJKSA-N 0 1 361.489 4.665 50 0 FJAAMN CN(Cc1ncc(-c2cccc(F)c2)o1)C1CCN(c2ccccc2)CC1 ZINC000225519244 132285159 /nfs/dbraw/zinc/28/51/59/132285159.db2.gz NZCVFCFAXNIISW-UHFFFAOYSA-N 0 1 365.452 4.582 50 0 FJAAMN C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)c1ccc(Cl)cc1 ZINC000097015435 222150175 /nfs/dbraw/zinc/15/01/75/222150175.db2.gz DOHUOAZQYMWXGJ-FFXRNRBCSA-N 0 1 369.877 4.992 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)c3cc(C)ccc3C)n2)o1 ZINC000097015498 222151025 /nfs/dbraw/zinc/15/10/25/222151025.db2.gz MRBQGSINFLOLFU-FJVVXJACSA-N 0 1 367.474 4.857 50 0 FJAAMN O=C([O-])c1ccc(COc2ccc(C[N@H+]3CC[C@@H]3c3ccccc3)cc2)o1 ZINC000097394304 222178677 /nfs/dbraw/zinc/17/86/77/222178677.db2.gz SVMNWRFAWRXQJP-HXUWFJFHSA-N 0 1 363.413 4.504 50 0 FJAAMN CCc1nc([C@@H]2CC(=O)N(C3CCCC3)C2)[nH]c1-c1ccc(Cl)cc1 ZINC000020166540 263379254 /nfs/dbraw/zinc/37/92/54/263379254.db2.gz POSVHCKGVFJZCN-CQSZACIVSA-N 0 1 357.885 4.551 50 0 FJAAMN CC(C)=CCC/C(C)=C/CN1CCc2[nH]nc(-c3c(C)noc3C)c2C1 ZINC000019850660 519403632 /nfs/dbraw/zinc/40/36/32/519403632.db2.gz JPCACRHFBJQKBI-OQLLNIDSSA-N 0 1 354.498 4.732 50 0 FJAAMN COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000089909822 524723895 /nfs/dbraw/zinc/72/38/95/524723895.db2.gz LPPBHNVLJIEBCZ-QGZVFWFLSA-N 0 1 360.457 4.652 50 0 FJAAMN Cc1ccc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000020889636 525154596 /nfs/dbraw/zinc/15/45/96/525154596.db2.gz QOYXKNQOCHFJQF-UHFFFAOYSA-N 0 1 371.912 4.682 50 0 FJAAMN Cc1csc(C2(NCc3ccc(OCC(F)F)cc3)CCCC2)n1 ZINC000078904326 526327036 /nfs/dbraw/zinc/32/70/36/526327036.db2.gz LOVGNEXAMLHWHB-UHFFFAOYSA-N 0 1 352.450 4.655 50 0 FJAAMN c1ccc(CN2CCN(CCOc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000019891650 526470662 /nfs/dbraw/zinc/47/06/62/526470662.db2.gz IKBSUJSLCUTAQX-UHFFFAOYSA-N 0 1 372.512 4.550 50 0 FJAAMN O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000020203302 526751910 /nfs/dbraw/zinc/75/19/10/526751910.db2.gz ZINILCAHPHYAPU-INIZCTEOSA-N 0 1 363.379 4.506 50 0 FJAAMN Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@H]1COc2ccccc21 ZINC000089517380 526928036 /nfs/dbraw/zinc/92/80/36/526928036.db2.gz OYTOMXNSICLWAG-KSSFIOAISA-N 0 1 350.487 4.827 50 0 FJAAMN Cc1nc([C@H]2CCCN2Cc2ccc(Sc3ccc(C)cc3)o2)n[nH]1 ZINC000215197216 568057281 /nfs/dbraw/zinc/05/72/81/568057281.db2.gz PRLPYEHBDGAVPM-QGZVFWFLSA-N 0 1 354.479 4.503 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3cccc(Cl)c3)n2)cc1 ZINC000008156813 568272630 /nfs/dbraw/zinc/27/26/30/568272630.db2.gz IDXXQAITJDWQJE-GFCCVEGCSA-N 0 1 357.866 4.797 50 0 FJAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000221201945 568391221 /nfs/dbraw/zinc/39/12/21/568391221.db2.gz AGJOBBATGICLKR-IBGZPJMESA-N 0 1 369.827 4.847 50 0 FJAAMN COc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000001413352 570499202 /nfs/dbraw/zinc/49/92/02/570499202.db2.gz DLADOUFQVALWJL-QFIPXVFZSA-N 0 1 356.425 4.779 50 0 FJAAMN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1cc(F)cc(F)c1 ZINC000034796911 570559361 /nfs/dbraw/zinc/55/93/61/570559361.db2.gz OZTUTJBQIFUJSD-UHFFFAOYSA-N 0 1 365.339 4.867 50 0 FJAAMN COC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1-c1ccc(C)cc1 ZINC000004927629 570561637 /nfs/dbraw/zinc/56/16/37/570561637.db2.gz NWPMARDVLBOLDD-UHFFFAOYSA-N 0 1 352.459 4.626 50 0 FJAAMN COc1cccc([C@@H]2CC(=Nc3ccccc3)C(=O)N2c2ccccc2)c1 ZINC000003902806 570570952 /nfs/dbraw/zinc/57/09/52/570570952.db2.gz DMTXOVYLKNUPGA-QFIPXVFZSA-N 0 1 356.425 4.779 50 0 aggregator FJAAMN Nc1ccc(-c2nc3cc(-c4nc5ccc(N)cc5s4)ccc3[nH]2)cc1 ZINC000004127890 570577723 /nfs/dbraw/zinc/57/77/23/570577723.db2.gz KJDNOKQDVLRQKW-UHFFFAOYSA-N 0 1 357.442 4.671 50 0 FJAAMN Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c(C)n1C(C)C ZINC000061461675 570585022 /nfs/dbraw/zinc/58/50/22/570585022.db2.gz NHUOVKJXAFEAQA-HXUWFJFHSA-N 0 1 364.493 4.848 50 0 FJAAMN COc1cc(CNCc2ccncc2)ccc1OCc1cccc(Cl)c1 ZINC000004413630 570590119 /nfs/dbraw/zinc/59/01/19/570590119.db2.gz RRMSFBFISOQLMO-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCc1n[nH]c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 ZINC000011712754 570592049 /nfs/dbraw/zinc/59/20/49/570592049.db2.gz JBPDSFIRBCROQB-LJQANCHMSA-N 0 1 362.458 4.565 50 0 FJAAMN CCc1nc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n[nH]1 ZINC000011712754 570592053 /nfs/dbraw/zinc/59/20/53/570592053.db2.gz JBPDSFIRBCROQB-LJQANCHMSA-N 0 1 362.458 4.565 50 0 FJAAMN C[C@@H]1CCCCN1C1CN(C(=O)c2cccc(-c3cccc4[nH]ccc43)c2)C1 ZINC000426573341 570616821 /nfs/dbraw/zinc/61/68/21/570616821.db2.gz XNPWYUNDMVUINS-QGZVFWFLSA-N 0 1 373.500 4.534 50 0 FJAAMN Cc1c(Cl)cccc1-c1ccc(CNCc2ccc3c(c2)OCO3)o1 ZINC000007539040 570665745 /nfs/dbraw/zinc/66/57/45/570665745.db2.gz LTTCKIHOPUZZRH-UHFFFAOYSA-N 0 1 355.821 4.927 50 0 FJAAMN Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)n1 ZINC000011821048 570708966 /nfs/dbraw/zinc/70/89/66/570708966.db2.gz PFXZMWWSACIWJI-LJQANCHMSA-N 0 1 350.506 4.782 50 0 FJAAMN CCOc1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)ccc1O ZINC000012073400 570716656 /nfs/dbraw/zinc/71/66/56/570716656.db2.gz UBZVNRRYVNPENZ-KRWDZBQOSA-N 0 1 373.880 4.539 50 0 FJAAMN Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)n[nH]1 ZINC000012300985 570733846 /nfs/dbraw/zinc/73/38/46/570733846.db2.gz PCAKHWJMBBTFAC-IBGZPJMESA-N 0 1 367.880 4.552 50 0 FJAAMN Cc1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1 ZINC000012305238 570734844 /nfs/dbraw/zinc/73/48/44/570734844.db2.gz OYONVECLHQWXFP-FQEVSTJZSA-N 0 1 360.505 4.687 50 0 FJAAMN CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000012812621 570764392 /nfs/dbraw/zinc/76/43/92/570764392.db2.gz ZBTGKYKDWWHYQJ-OAHLLOKOSA-N 0 1 365.926 4.588 50 0 FJAAMN COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1Cc1ccccc1F ZINC000013758772 570789441 /nfs/dbraw/zinc/78/94/41/570789441.db2.gz KDSGEFWXLQJWCW-WWPVKYPJSA-N 0 1 369.480 4.703 50 0 FJAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nc1Cc1ccccc1 ZINC000004485579 570797581 /nfs/dbraw/zinc/79/75/81/570797581.db2.gz MDFHKRNZZDEEPR-CQSZACIVSA-N 0 1 369.465 4.567 50 0 FJAAMN Cc1cc2oc(=O)cc(CSc3nc(C(C)C)n[nH]3)c2cc1C(C)C ZINC000014140275 570808563 /nfs/dbraw/zinc/80/85/63/570808563.db2.gz VMCJVRIEIYECSK-UHFFFAOYSA-N 0 1 357.479 4.759 50 0 FJAAMN Cc1cc2oc(=O)cc(CSc3n[nH]c(C(C)C)n3)c2cc1C(C)C ZINC000014140275 570808566 /nfs/dbraw/zinc/80/85/66/570808566.db2.gz VMCJVRIEIYECSK-UHFFFAOYSA-N 0 1 357.479 4.759 50 0 FJAAMN CCCN(CC(=O)Nc1ccccc1C)Cc1cc(F)cc2cccnc21 ZINC000032825182 570816577 /nfs/dbraw/zinc/81/65/77/570816577.db2.gz NZYLJBMDVTWDHI-UHFFFAOYSA-N 0 1 365.452 4.533 50 0 FJAAMN CCCn1ncc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c1C ZINC000014972966 570827368 /nfs/dbraw/zinc/82/73/68/570827368.db2.gz NGCKLWRBBJFDMQ-QGZVFWFLSA-N 0 1 373.928 4.658 50 0 FJAAMN O=C1S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccccc1 ZINC000015011600 570829260 /nfs/dbraw/zinc/82/92/60/570829260.db2.gz XFNLVHMZPNIKKD-NTUHNPAUSA-N 0 1 366.225 4.940 50 0 FJAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c(F)c1 ZINC000044837474 570900301 /nfs/dbraw/zinc/90/03/01/570900301.db2.gz NKKAKAPWIAVMJV-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000044837254 570900445 /nfs/dbraw/zinc/90/04/45/570900445.db2.gz BHLIWSKGNMBQEZ-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 ZINC000023716956 570966903 /nfs/dbraw/zinc/96/69/03/570966903.db2.gz VHMIZJLDJNAVPW-UHFFFAOYSA-N 0 1 372.273 4.614 50 0 FJAAMN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCC[C@H]1Cc1ccccc1 ZINC000025087628 570990770 /nfs/dbraw/zinc/99/07/70/570990770.db2.gz QQEQROZDOXMQPS-SFHVURJKSA-N 0 1 365.864 4.577 50 0 FJAAMN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CC=C(c2ccccc2)CC1 ZINC000025101240 570990928 /nfs/dbraw/zinc/99/09/28/570990928.db2.gz REGPLYYCCFNRLE-UHFFFAOYSA-N 0 1 363.848 4.660 50 0 FJAAMN COCc1cccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 ZINC000026547328 571006561 /nfs/dbraw/zinc/00/65/61/571006561.db2.gz LENFLKUQGOSKNE-UHFFFAOYSA-N 0 1 374.289 4.557 50 0 FJAAMN Clc1ccc(-c2n[nH]c(SCCOc3ccccc3Cl)n2)cc1 ZINC000028807314 571034563 /nfs/dbraw/zinc/03/45/63/571034563.db2.gz ULJDZJHLFBKDDC-UHFFFAOYSA-N 0 1 366.273 4.950 50 0 FJAAMN FC(F)(F)[C@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000029118817 571036799 /nfs/dbraw/zinc/03/67/99/571036799.db2.gz NBSUTKVDXVVSSV-INIZCTEOSA-N 0 1 359.395 4.776 50 0 FJAAMN Cc1cc(Nc2ccccc2C(=O)[O-])c2cc(Br)ccc2[nH+]1 ZINC000001278265 571045919 /nfs/dbraw/zinc/04/59/19/571045919.db2.gz OKVWCQLPQVNNEU-UHFFFAOYSA-N 0 1 357.207 4.748 50 0 FJAAMN C[C@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1cccc2ccccc21 ZINC000029488292 571051113 /nfs/dbraw/zinc/05/11/13/571051113.db2.gz KTLOUFPCYIBSBC-GAJHUEQPSA-N 0 1 358.485 4.636 50 0 FJAAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@H]1CCCc2ccccc21 ZINC000008685018 571054982 /nfs/dbraw/zinc/05/49/82/571054982.db2.gz VDKITUKOQQPEDK-HNNXBMFYSA-N 0 1 371.893 4.502 50 0 FJAAMN Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000084017133 571066727 /nfs/dbraw/zinc/06/67/27/571066727.db2.gz YRLYYKKZKGRWGC-GOSISDBHSA-N 0 1 366.896 4.521 50 0 FJAAMN Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000040024054 571068655 /nfs/dbraw/zinc/06/86/55/571068655.db2.gz VPHINDRQETVFLK-UHFFFAOYSA-N 0 1 371.912 4.743 50 0 FJAAMN Cc1ccsc1CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(C)C ZINC000084251369 571080090 /nfs/dbraw/zinc/08/00/90/571080090.db2.gz IWYOCFGCCUCXTC-UHFFFAOYSA-N 0 1 357.454 4.637 50 0 FJAAMN Fc1ccc(COc2ccccc2CNCc2ccncc2)c(Cl)c1 ZINC000040732086 571094504 /nfs/dbraw/zinc/09/45/04/571094504.db2.gz SLLRUXMXGQCSLW-UHFFFAOYSA-N 0 1 356.828 4.743 50 0 FJAAMN CC(C)c1n[nH]c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 ZINC000009515504 571111966 /nfs/dbraw/zinc/11/19/66/571111966.db2.gz GIMUOLPHEIPEAU-UHFFFAOYSA-N 0 1 357.483 4.568 50 0 FJAAMN CC(C)c1nc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n[nH]1 ZINC000009515504 571111967 /nfs/dbraw/zinc/11/19/67/571111967.db2.gz GIMUOLPHEIPEAU-UHFFFAOYSA-N 0 1 357.483 4.568 50 0 FJAAMN CCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)C1CCCCC1 ZINC000009946830 571121483 /nfs/dbraw/zinc/12/14/83/571121483.db2.gz DTIXUXBOIRGZHL-UHFFFAOYSA-N 0 1 371.550 4.582 50 0 FJAAMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC ZINC000058161825 571126414 /nfs/dbraw/zinc/12/64/14/571126414.db2.gz ISIHBRKYZWNOQJ-YESZJQIVSA-N 0 1 354.494 4.887 50 0 FJAAMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1nc(-c2cccs2)no1 ZINC000071868919 571127413 /nfs/dbraw/zinc/12/74/13/571127413.db2.gz POKWJQRWWCXMAR-VIFPVBQESA-N 0 1 373.438 4.576 50 0 FJAAMN Cc1cc2oc(=O)cc(CN(C)CCOc3ccccc3C)c2cc1Cl ZINC000012903646 571143307 /nfs/dbraw/zinc/14/33/07/571143307.db2.gz AYNNXJDXNYEUAT-UHFFFAOYSA-N 0 1 371.864 4.574 50 0 FJAAMN CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccsc1 ZINC000025330596 571143350 /nfs/dbraw/zinc/14/33/50/571143350.db2.gz GEXAWVDCIDANSE-MRXNPFEDSA-N 0 1 374.506 4.648 50 0 FJAAMN c1coc(-c2cc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)no2)c1 ZINC000012912244 571143958 /nfs/dbraw/zinc/14/39/58/571143958.db2.gz HQRGGSGPGVRJQI-CQSZACIVSA-N 0 1 365.458 4.924 50 0 FJAAMN Cc1cc(O)cc(C)c1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067691460 571148465 /nfs/dbraw/zinc/14/84/65/571148465.db2.gz FBHQMJLRISOQOH-UHFFFAOYSA-N 0 1 370.399 4.501 50 0 FJAAMN COc1ccc(CN(Cc2cc(F)cc3cccnc32)C2CC2)c(OC)c1 ZINC000026170277 571151696 /nfs/dbraw/zinc/15/16/96/571151696.db2.gz GDWIAZVBNJAURC-UHFFFAOYSA-N 0 1 366.436 4.556 50 0 FJAAMN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414271 571158986 /nfs/dbraw/zinc/15/89/86/571158986.db2.gz RHNUUSGUDCNRSB-UHFFFAOYSA-N 0 1 367.257 4.651 50 0 FJAAMN Cc1cc(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c(C)n1C1CC1 ZINC000005868747 571167393 /nfs/dbraw/zinc/16/73/93/571167393.db2.gz IKNDEGUAEIMTPV-UHFFFAOYSA-N 0 1 366.490 4.508 50 0 FJAAMN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000001217970 571171194 /nfs/dbraw/zinc/17/11/94/571171194.db2.gz UDHRBSNBQXQVIT-UHFFFAOYSA-N 0 1 370.179 4.813 50 0 FJAAMN Cn1c2ccccc2nc1-c1ccc(CN2CCC[C@@H]2c2ccccn2)o1 ZINC000072145998 571173286 /nfs/dbraw/zinc/17/32/86/571173286.db2.gz DSRWSANXERJDNQ-HXUWFJFHSA-N 0 1 358.445 4.565 50 0 FJAAMN CC(=O)c1cc(CN2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cs1 ZINC000072162207 571175968 /nfs/dbraw/zinc/17/59/68/571175968.db2.gz SSVFCZPOLYMFBT-QGZVFWFLSA-N 0 1 357.454 4.693 50 0 FJAAMN CCOc1ccccc1NC(=O)CCc1ccc2nc(C(C)C)[nH]c2c1 ZINC000075478752 571188893 /nfs/dbraw/zinc/18/88/93/571188893.db2.gz RPSQURBPFPGPTO-UHFFFAOYSA-N 0 1 351.450 4.656 50 0 FJAAMN Cn1cc(CN2CCCC[C@@H]2c2cccnc2)c(-c2cccc(Cl)c2)n1 ZINC000072448051 571197413 /nfs/dbraw/zinc/19/74/13/571197413.db2.gz DIVMHKACFPQCDU-HXUWFJFHSA-N 0 1 366.896 4.863 50 0 FJAAMN CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072458125 571197625 /nfs/dbraw/zinc/19/76/25/571197625.db2.gz FNNQXCYLDBBIMS-UHFFFAOYSA-N 0 1 371.912 4.552 50 0 FJAAMN CN(Cc1ccccc1)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000054105941 571199432 /nfs/dbraw/zinc/19/94/32/571199432.db2.gz RDYXMKZHLUIDJB-UHFFFAOYSA-N 0 1 371.436 4.798 50 0 FJAAMN CCn1c(-c2cc(NC(=O)C3CCCCC3)[nH]n2)cc2ccc(OC)cc21 ZINC000075558886 571200784 /nfs/dbraw/zinc/20/07/84/571200784.db2.gz XNKZVIZBMNVMJI-UHFFFAOYSA-N 0 1 366.465 4.579 50 0 FJAAMN O=C1C=C(Nc2ccc(O)cc2)c2ccccc2C1=[NH+][N-]c1ccccc1 ZINC000252628557 571204422 /nfs/dbraw/zinc/20/44/22/571204422.db2.gz SSUWNNOWAAHHLD-UHFFFAOYSA-N 0 1 355.397 4.785 50 0 FJAAMN COc1cccc([C@H]2CCCCN2C(=O)c2cn[nH]c2-c2cccs2)c1 ZINC000077302379 571206954 /nfs/dbraw/zinc/20/69/54/571206954.db2.gz UPRGGGPEBARURY-QGZVFWFLSA-N 0 1 367.474 4.514 50 0 FJAAMN CCN(C(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000006654324 571239523 /nfs/dbraw/zinc/23/95/23/571239523.db2.gz MJGSTTVFXDLBOC-GFCCVEGCSA-N 0 1 359.882 4.750 50 0 FJAAMN CSc1ccc(CN(C)Cc2c(NC(C)=O)sc3c2CCCC3)cc1 ZINC000006905503 571254147 /nfs/dbraw/zinc/25/41/47/571254147.db2.gz ICVZKJRCPUSUBC-UHFFFAOYSA-N 0 1 374.575 4.939 50 0 FJAAMN Cc1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000007251859 571263511 /nfs/dbraw/zinc/26/35/11/571263511.db2.gz MAZABUXPCATMIA-UHFFFAOYSA-N 0 1 360.280 4.835 50 0 FJAAMN C[C@H](c1ccccc1)N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000170623434 571269151 /nfs/dbraw/zinc/26/91/51/571269151.db2.gz RVMBQMFUNIBPPN-MCMMXHMISA-N 0 1 356.318 4.794 50 0 FJAAMN Cc1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)c2cccc(C)c2n1 ZINC000002321515 571318069 /nfs/dbraw/zinc/31/80/69/571318069.db2.gz XPBBWUFYMMUEHS-UHFFFAOYSA-N 0 1 359.473 4.643 50 0 FJAAMN Cc1sc(NC(=O)c2ccco2)c(CN2CCc3ccccc3C2)c1C ZINC000019879526 571327682 /nfs/dbraw/zinc/32/76/82/571327682.db2.gz XYNRXLKJQMYGDO-UHFFFAOYSA-N 0 1 366.486 4.769 50 0 FJAAMN O[C@@H](CN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000095353004 571328893 /nfs/dbraw/zinc/32/88/93/571328893.db2.gz OMXZPAKUEDUQIB-PZJWPPBQSA-N 0 1 371.452 4.707 50 0 FJAAMN CC(C)[C@H](N[C@@H]1CCc2c1cc(Br)cc2F)c1ccccn1 ZINC000095968208 571333167 /nfs/dbraw/zinc/33/31/67/571333167.db2.gz WNPQMUMEKDHPHG-AEFFLSMTSA-N 0 1 363.274 4.957 50 0 FJAAMN CC(C)[C@H](NCc1ccc(Cl)cc1Br)c1ccncc1 ZINC000095971804 571333265 /nfs/dbraw/zinc/33/32/65/571333265.db2.gz KFIOAVAOSBSMFM-INIZCTEOSA-N 0 1 353.691 4.984 50 0 FJAAMN Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000057470809 571343591 /nfs/dbraw/zinc/34/35/91/571343591.db2.gz DTCOOPGRQHHQRT-OXQOHEQNSA-N 0 1 350.487 4.763 50 0 FJAAMN C[C@@H](NC(=O)CN[C@@H](C)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000057854133 571345665 /nfs/dbraw/zinc/34/56/65/571345665.db2.gz HXDMCKICWVCTJW-UONOGXRCSA-N 0 1 356.853 4.614 50 0 FJAAMN COc1cc2c(cc1NC(=O)[C@@H](C)N1CCCCCC1)oc1ccccc12 ZINC000003345478 571347957 /nfs/dbraw/zinc/34/79/57/571347957.db2.gz XAERRZVTCOBAHM-OAHLLOKOSA-N 0 1 366.461 4.798 50 0 FJAAMN Cc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000003386433 571348892 /nfs/dbraw/zinc/34/88/92/571348892.db2.gz SWSIGLUGWDRUDB-UHFFFAOYSA-N 0 1 360.280 4.835 50 0 FJAAMN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000000753345 219318275 /nfs/dbraw/zinc/31/82/75/219318275.db2.gz FZAIJPGEEOQDHR-UHFFFAOYSA-N 0 1 350.654 4.756 50 0 FJAAMN COc1ccccc1[C@H]1CC(=Nc2ccccc2)C(=O)N1c1ccccc1 ZINC000001201153 219388173 /nfs/dbraw/zinc/38/81/73/219388173.db2.gz SLQXAPSTRQLTFB-OAQYLSRUSA-N 0 1 356.425 4.779 50 0 FJAAMN Cc1cc([C@H]2CCCN(C(=O)c3cccc(N[C@@H](C)C(C)C)c3C)C2)n[nH]1 ZINC000225430468 209811671 /nfs/dbraw/zinc/81/16/71/209811671.db2.gz OCOINZAAQCFAOV-ROUUACIJSA-N 0 1 368.525 4.503 50 0 FJAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(C)c1 ZINC000001233333 219391475 /nfs/dbraw/zinc/39/14/75/219391475.db2.gz LTRDWGSVBGCJCI-UHFFFAOYSA-N 0 1 360.866 4.614 50 0 FJAAMN CCn1c(-c2cc(NC(=O)c3ccc(C)cc3)[nH]n2)cc2ccc(OC)cc21 ZINC000096400332 209153876 /nfs/dbraw/zinc/15/38/76/209153876.db2.gz ZDNBDENWCIHCSO-UHFFFAOYSA-N 0 1 374.444 4.621 50 0 FJAAMN CCCc1nc2ccc(CCC(=O)NCc3ccc(F)cc3Cl)cc2[nH]1 ZINC000096332882 209151750 /nfs/dbraw/zinc/15/17/50/209151750.db2.gz LUPVZYOLTCGFPC-UHFFFAOYSA-N 0 1 373.859 4.557 50 0 FJAAMN COc1ccc(CSCCc2n[nH]c(=S)n2-c2ccccc2)cc1C ZINC000013152805 220059743 /nfs/dbraw/zinc/05/97/43/220059743.db2.gz PXYCSTPYCYPSIT-UHFFFAOYSA-N 0 1 371.531 4.723 50 0 FJAAMN CC(C)N(C(=O)c1ccccc1-c1nnc(C2CCCCC2)[nH]1)C(C)C ZINC000096150354 209124799 /nfs/dbraw/zinc/12/47/99/209124799.db2.gz STAGBSAIVSAHJW-UHFFFAOYSA-N 0 1 354.498 4.778 50 0 FJAAMN Cc1sc2[nH]c([C@@H](C)N[C@H](C)c3cc(C)ccc3C)nc(=O)c2c1C ZINC000014233867 220118849 /nfs/dbraw/zinc/11/88/49/220118849.db2.gz KVZOMRKOXNTJCW-ZIAGYGMSSA-N 0 1 355.507 4.630 50 0 FJAAMN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2c(n[nH]c2Nc2ccccc2)N1 ZINC000015085155 220146977 /nfs/dbraw/zinc/14/69/77/220146977.db2.gz GBFXCWVBNBJQTN-AWEZNQCLSA-N 0 1 372.350 4.646 50 0 FJAAMN C[C@@H]1CN(CCCOc2ccc(C(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000016247828 220181200 /nfs/dbraw/zinc/18/12/00/220181200.db2.gz PKOPFZIVQYDYGY-BGYRXZFFSA-N 0 1 367.533 4.891 50 0 FJAAMN COc1cccc(CNCc2cccnc2)c1OCc1ccc(Cl)cc1 ZINC000004450519 207020425 /nfs/dbraw/zinc/02/04/25/207020425.db2.gz XLCKDKVJHVYWNH-UHFFFAOYSA-N 0 1 368.864 4.612 50 0 FJAAMN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000004725502 207041303 /nfs/dbraw/zinc/04/13/03/207041303.db2.gz AMYVUKTZAGQPCX-UHFFFAOYSA-N 0 1 370.924 4.601 50 0 FJAAMN COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1Cc1ccccc1F ZINC000005151101 207085200 /nfs/dbraw/zinc/08/52/00/207085200.db2.gz KDSGEFWXLQJWCW-PTUXOGIPSA-N 0 1 369.480 4.703 50 0 FJAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCCCC1 ZINC000005450632 207100848 /nfs/dbraw/zinc/10/08/48/207100848.db2.gz FRNPSEGBBXQWFB-SFHVURJKSA-N 0 1 362.395 4.871 50 0 FJAAMN Cc1ccc2nc(SCc3cc(=O)oc4c(C)c(C)ccc34)[nH]c2c1 ZINC000005357176 207095252 /nfs/dbraw/zinc/09/52/52/207095252.db2.gz MURUJLDOGOMQKU-UHFFFAOYSA-N 0 1 350.443 4.887 50 0 FJAAMN Cc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(-c4cccs4)o3)n2)cc1 ZINC000005474280 207101960 /nfs/dbraw/zinc/10/19/60/207101960.db2.gz DWHMGZYWBMUEQG-LLVKDONJSA-N 0 1 369.475 4.745 50 0 FJAAMN Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)[nH]c2c1 ZINC000005595848 207107595 /nfs/dbraw/zinc/10/75/95/207107595.db2.gz DJYTVFRLEHUOTL-UHFFFAOYSA-N 0 1 357.413 4.556 50 0 FJAAMN CC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)c3ccccc3O)cc12 ZINC000005938741 207123416 /nfs/dbraw/zinc/12/34/16/207123416.db2.gz KNXIPIJFNVILCF-UHFFFAOYSA-N 0 1 371.440 4.655 50 0 FJAAMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1cccn1C ZINC000007039373 207183849 /nfs/dbraw/zinc/18/38/49/207183849.db2.gz RNQJFOKUSFRFHP-FDDCHVKYSA-N 0 1 373.500 4.856 50 0 FJAAMN COc1ccc(CNCc2ccccc2OCc2ccccc2F)cc1 ZINC000007538352 207197842 /nfs/dbraw/zinc/19/78/42/207197842.db2.gz AJOVHPFOZIBIMU-UHFFFAOYSA-N 0 1 351.421 4.703 50 0 FJAAMN Cc1[nH]c(SCc2cc(-c3ccco3)on2)nc1Cc1ccccc1 ZINC000007246453 207190747 /nfs/dbraw/zinc/19/07/47/207190747.db2.gz FJTXOOQZSHFEJF-UHFFFAOYSA-N 0 1 351.431 4.849 50 0 FJAAMN Fc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000007252181 207192997 /nfs/dbraw/zinc/19/29/97/207192997.db2.gz WXKIPMXGBULZAT-UHFFFAOYSA-N 0 1 364.243 4.666 50 0 FJAAMN O=C(c1cccc2ccccc21)[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000012193129 207346988 /nfs/dbraw/zinc/34/69/88/207346988.db2.gz IZNBFTLAGAWFNC-GOSISDBHSA-N 0 1 373.452 4.663 50 0 FJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN(CC1CC1)C[C@H]1CCCO1 ZINC000012111821 207338253 /nfs/dbraw/zinc/33/82/53/207338253.db2.gz NIAHWNOEAGWTLP-GOSISDBHSA-N 0 1 360.885 4.694 50 0 FJAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN(CC1CC1)C[C@@H]1CCCO1 ZINC000012111820 207338714 /nfs/dbraw/zinc/33/87/14/207338714.db2.gz NIAHWNOEAGWTLP-SFHVURJKSA-N 0 1 360.885 4.694 50 0 FJAAMN Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)n[nH]1 ZINC000012307256 207358691 /nfs/dbraw/zinc/35/86/91/207358691.db2.gz MIFDVTAQCYDHCC-FQEVSTJZSA-N 0 1 367.880 4.552 50 0 FJAAMN C/C=C(\C)CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000012320490 207361261 /nfs/dbraw/zinc/36/12/61/207361261.db2.gz AMDLWSWKFAGPFB-PKJWAPKXSA-N 0 1 365.477 4.633 50 0 FJAAMN CCn1c2ccccc2c2cc(CNCc3nc4ccccc4n3C)ccc21 ZINC000012579928 207395732 /nfs/dbraw/zinc/39/57/32/207395732.db2.gz CFSYVTSXVHQMGA-UHFFFAOYSA-N 0 1 368.484 4.991 50 0 FJAAMN CCC(=O)Nc1ccc([C@@H](C)NCc2csc(Br)c2)cc1 ZINC000030640184 208003225 /nfs/dbraw/zinc/00/32/25/208003225.db2.gz PHROUQPIJWRNEH-LLVKDONJSA-N 0 1 367.312 4.710 50 0 FJAAMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc4ncsc4c3)cc2[nH]1 ZINC000032721219 208037894 /nfs/dbraw/zinc/03/78/94/208037894.db2.gz REWZSQSHAOLCBE-UHFFFAOYSA-N 0 1 350.447 4.722 50 0 FJAAMN Cc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000040478364 208254842 /nfs/dbraw/zinc/25/48/42/208254842.db2.gz CTMJRLZZWVFOAM-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040478276 208255414 /nfs/dbraw/zinc/25/54/14/208255414.db2.gz QQRUFGAHTYEYPV-UHFFFAOYSA-N 0 1 350.180 4.775 50 0 FJAAMN Cc1ccc(CNCc2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000040732859 208265229 /nfs/dbraw/zinc/26/52/29/208265229.db2.gz YIWRXHZYIXVZNG-UHFFFAOYSA-N 0 1 374.484 4.611 50 0 FJAAMN CCc1onc(C)c1[C@@H]1CCCN1Cc1ccc(OC(C)C)c(OC)c1 ZINC000021720872 220365283 /nfs/dbraw/zinc/36/52/83/220365283.db2.gz BVVORYJYADBAOL-KRWDZBQOSA-N 0 1 358.482 4.678 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)[nH]n2)cc1 ZINC000051315473 221034682 /nfs/dbraw/zinc/03/46/82/221034682.db2.gz WIFABRXOIDDDGH-UHFFFAOYSA-N 0 1 359.788 4.520 50 0 FJAAMN C[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1 ZINC000057322912 221086810 /nfs/dbraw/zinc/08/68/10/221086810.db2.gz WVFGTSUWCWKEHA-INIZCTEOSA-N 0 1 364.420 4.907 50 0 FJAAMN COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412378 221088253 /nfs/dbraw/zinc/08/82/53/221088253.db2.gz QJVZEKPRWLSPTR-UHFFFAOYSA-N 0 1 362.216 4.644 50 0 FJAAMN C[C@@H](CCN1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccsc1 ZINC000065394217 221209479 /nfs/dbraw/zinc/20/94/79/221209479.db2.gz CCHFKEPJJFDZIG-KRWDZBQOSA-N 0 1 367.518 4.562 50 0 FJAAMN Cc1ccc(C)c(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)[nH]n2)c1 ZINC000071328462 221342840 /nfs/dbraw/zinc/34/28/40/221342840.db2.gz OIRXGDKOJGYZLA-UHFFFAOYSA-N 0 1 359.351 4.965 50 0 FJAAMN CC(=O)c1ccc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000038398080 136118847 /nfs/dbraw/zinc/11/88/47/136118847.db2.gz XDSCBPMKKACNNJ-UHFFFAOYSA-N 0 1 368.480 4.781 50 0 FJAAMN FC(F)(F)c1cccc(N2CCN(C3=Cc4ccccc4CC3)CC2)c1 ZINC000055145711 136126104 /nfs/dbraw/zinc/12/61/04/136126104.db2.gz VSVAJGSZITVCQV-UHFFFAOYSA-N 0 1 358.407 4.815 50 0 FJAAMN CCCCOc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055292274 136126416 /nfs/dbraw/zinc/12/64/16/136126416.db2.gz CALFGIRIPVFEOJ-UHFFFAOYSA-N 0 1 358.913 4.841 50 0 FJAAMN C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)c1nc(C(C)(C)C)no1 ZINC000096996628 222148941 /nfs/dbraw/zinc/14/89/41/222148941.db2.gz WBMMBIOBFADARG-NLYDNYMLSA-N 0 1 355.467 4.509 50 0 FJAAMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCCCC[C@@H]1c1ccco1 ZINC000097574999 222193647 /nfs/dbraw/zinc/19/36/47/222193647.db2.gz FOYQMOYFHPREBP-QGZVFWFLSA-N 0 1 353.397 4.566 50 0 FJAAMN CC(C)c1nc2ccc(NC(=O)NCCc3csc(C(C)C)n3)cc2[nH]1 ZINC000097679763 222205409 /nfs/dbraw/zinc/20/54/09/222205409.db2.gz BPJXBPBXCISWHP-UHFFFAOYSA-N 0 1 371.510 4.630 50 0 FJAAMN O=C(Nc1cccc2c1CCC2)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000299762445 534368678 /nfs/dbraw/zinc/36/86/78/534368678.db2.gz VKAXQDDYZQJIOR-LJQANCHMSA-N 0 1 364.424 4.560 50 0 FJAAMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@@H]1COc2ccccc21 ZINC000089517377 526927221 /nfs/dbraw/zinc/92/72/21/526927221.db2.gz OYTOMXNSICLWAG-RDTXWAMCSA-N 0 1 350.487 4.827 50 0 FJAAMN Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)s1 ZINC000020996380 527255328 /nfs/dbraw/zinc/25/53/28/527255328.db2.gz GXHUYHUQMWFDKI-QGZVFWFLSA-N 0 1 356.535 4.844 50 0 FJAAMN O=C(NCCC1=CCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019913528 527622176 /nfs/dbraw/zinc/62/21/76/527622176.db2.gz JTDGKKYLYJREMC-UHFFFAOYSA-N 0 1 360.929 4.559 50 0 FJAAMN Fc1ccccc1OC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000215020710 568042476 /nfs/dbraw/zinc/04/24/76/568042476.db2.gz BNIATXQAOOWUQZ-OAHLLOKOSA-N 0 1 365.395 4.718 50 0 FJAAMN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000000819252 568297086 /nfs/dbraw/zinc/29/70/86/568297086.db2.gz SSMHQLATJLUVMJ-UHFFFAOYSA-N 0 1 370.924 4.601 50 0 FJAAMN COc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC ZINC000022783255 568308864 /nfs/dbraw/zinc/30/88/64/568308864.db2.gz YMPWZVGFYMYOBC-NSHDSACASA-N 0 1 370.276 4.870 50 0 FJAAMN Nc1sc(-c2ccccc2)cc1-c1n[nH]c(=S)n1-c1ccccc1 ZINC000001036212 570473769 /nfs/dbraw/zinc/47/37/69/570473769.db2.gz KBTDGIFLIQOAQP-UHFFFAOYSA-N 0 1 350.472 4.908 50 0 FJAAMN Cc1ccc(Sc2ncccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001043465 570476005 /nfs/dbraw/zinc/47/60/05/570476005.db2.gz NVFHTGKMRPGIOA-UHFFFAOYSA-N 0 1 370.499 4.650 50 0 FJAAMN Cc1ccnc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 ZINC000001188537 570490848 /nfs/dbraw/zinc/49/08/48/570490848.db2.gz IFPQHCYQCHTSSU-UHFFFAOYSA-N 0 1 360.523 4.786 50 0 FJAAMN COc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000001413351 570499258 /nfs/dbraw/zinc/49/92/58/570499258.db2.gz DLADOUFQVALWJL-JOCHJYFZSA-N 0 1 356.425 4.779 50 0 FJAAMN CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccccc1Cl ZINC000002580969 570525524 /nfs/dbraw/zinc/52/55/24/570525524.db2.gz CWZVLSCPBKADAJ-HXUWFJFHSA-N 0 1 372.896 4.746 50 0 FJAAMN NNc1nc(Cc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000003028237 570550227 /nfs/dbraw/zinc/55/02/27/570550227.db2.gz YLIIRKGDFLQCAK-UHFFFAOYSA-N 0 1 370.500 4.778 50 0 FJAAMN O=C([O-])CC[N@@H+]1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000004903088 570556900 /nfs/dbraw/zinc/55/69/00/570556900.db2.gz OLMDOBSZEZQBDZ-OAQYLSRUSA-N 0 1 366.505 4.857 50 0 FJAAMN O=C([O-])CC[N@H+]1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000004903088 570556905 /nfs/dbraw/zinc/55/69/05/570556905.db2.gz OLMDOBSZEZQBDZ-OAQYLSRUSA-N 0 1 366.505 4.857 50 0 FJAAMN CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1cccc(Cl)c1 ZINC000004270120 570582140 /nfs/dbraw/zinc/58/21/40/570582140.db2.gz BITLFFDWVWGZFR-FQEVSTJZSA-N 0 1 372.896 4.746 50 0 FJAAMN CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC000011917282 570601781 /nfs/dbraw/zinc/60/17/81/570601781.db2.gz WTJXNKDVVORAQI-LJQANCHMSA-N 0 1 374.912 4.552 50 0 FJAAMN CCCCOc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000006072720 570640879 /nfs/dbraw/zinc/64/08/79/570640879.db2.gz ICNRHKIGEBNWQW-UHFFFAOYSA-N 0 1 369.490 4.781 50 0 FJAAMN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000009062704 570691346 /nfs/dbraw/zinc/69/13/46/570691346.db2.gz AZUITMGVZNLBIV-GOSISDBHSA-N 0 1 368.496 4.532 50 0 FJAAMN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000009062705 570691426 /nfs/dbraw/zinc/69/14/26/570691426.db2.gz AZUITMGVZNLBIV-SFHVURJKSA-N 0 1 368.496 4.532 50 0 FJAAMN CCOc1c(CN[C@H](C)c2ccccc2)cc(Br)cc1OC ZINC000010473877 570701294 /nfs/dbraw/zinc/70/12/94/570701294.db2.gz HUEQFQABOOYJNP-CYBMUJFWSA-N 0 1 364.283 4.707 50 0 FJAAMN CCCCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12 ZINC000011565933 570703563 /nfs/dbraw/zinc/70/35/63/570703563.db2.gz GSCUFTZUKNYREQ-UHFFFAOYSA-N 0 1 370.474 4.523 50 0 FJAAMN Cc1cccc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)n1 ZINC000011821049 570708659 /nfs/dbraw/zinc/70/86/59/570708659.db2.gz PFXZMWWSACIWJI-IBGZPJMESA-N 0 1 350.506 4.782 50 0 FJAAMN Cc1nn(C(C)C)c(C)c1CN[C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000012197162 570726298 /nfs/dbraw/zinc/72/62/98/570726298.db2.gz BKWGVHIZABJING-CQSZACIVSA-N 0 1 369.488 4.565 50 0 FJAAMN Cc1c([C@@H](C)NCc2cccc(O)c2)cnn1-c1cccc2ccccc21 ZINC000012468408 570748007 /nfs/dbraw/zinc/74/80/07/570748007.db2.gz DEPZZGYRLLWCHC-MRXNPFEDSA-N 0 1 357.457 4.890 50 0 FJAAMN Cc1sc2[nH]c([C@@H](C)N[C@@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137089 570807972 /nfs/dbraw/zinc/80/79/72/570807972.db2.gz BQKLUWSPPHHPNO-WDEREUQCSA-N 0 1 361.898 4.667 50 0 FJAAMN Cc1ccc(-c2ccsc2C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000032800824 570808070 /nfs/dbraw/zinc/80/80/70/570808070.db2.gz CFLGZKLZCPSPFH-SFHVURJKSA-N 0 1 370.543 4.818 50 0 FJAAMN COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000104234933 570857997 /nfs/dbraw/zinc/85/79/97/570857997.db2.gz ZANBINYQLPJHJL-KUHUBIRLSA-N 0 1 358.869 4.513 50 0 FJAAMN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccccc1C(F)(F)F ZINC000003326413 570865432 /nfs/dbraw/zinc/86/54/32/570865432.db2.gz ABNQAVAZJFAWDZ-UHFFFAOYSA-N 0 1 370.179 4.813 50 0 FJAAMN COc1cc2c(cc1OC)[C@@]1(Cc3ccccc3)c3ccccc3CN1CC2 ZINC000019899089 570872967 /nfs/dbraw/zinc/87/29/67/570872967.db2.gz CLQQDVVZDDORTO-RUZDIDTESA-N 0 1 371.480 4.562 50 0 FJAAMN Clc1cccc(-c2noc(CN3CCC[C@@H](c4ccccc4)C3)n2)c1 ZINC000020598246 570920356 /nfs/dbraw/zinc/92/03/56/570920356.db2.gz ILJWZMYJAWUNOA-QGZVFWFLSA-N 0 1 353.853 4.770 50 0 FJAAMN CCOc1cc(CN2CCC[C@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021719947 570933528 /nfs/dbraw/zinc/93/35/28/570933528.db2.gz KSPHCDDVGJOSBO-SFHVURJKSA-N 0 1 358.482 4.814 50 0 FJAAMN CN(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccsc1 ZINC000025330530 570994119 /nfs/dbraw/zinc/99/41/19/570994119.db2.gz PKEXPNSMVQZYLL-INIZCTEOSA-N 0 1 374.893 4.694 50 0 FJAAMN Cc1c2ccccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 ZINC000027664677 571018329 /nfs/dbraw/zinc/01/83/29/571018329.db2.gz NWJUAOXOETWRNM-QGZVFWFLSA-N 0 1 368.502 4.760 50 0 FJAAMN CCCCCOc1ccc(S(=O)(=O)Nc2cccnc2)c2ccccc12 ZINC000028251884 571028737 /nfs/dbraw/zinc/02/87/37/571028737.db2.gz FNDBBSMBQLJZOW-UHFFFAOYSA-N 0 1 370.474 4.605 50 0 FJAAMN Cc1cc([C@@H]2CCCN(C(=O)c3cccc(N[C@H](C)C(C)C)c3C)C2)n[nH]1 ZINC000225430582 571034935 /nfs/dbraw/zinc/03/49/35/571034935.db2.gz OCOINZAAQCFAOV-QZTJIDSGSA-N 0 1 368.525 4.503 50 0 FJAAMN CC(=O)Nc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000001277692 571045963 /nfs/dbraw/zinc/04/59/63/571045963.db2.gz NLRVWNHAPPVTTC-UHFFFAOYSA-N 0 1 371.396 4.753 50 0 FJAAMN Cc1ccc2nc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)[nH]c2c1 ZINC000008686412 571054968 /nfs/dbraw/zinc/05/49/68/571054968.db2.gz UUGOZJOHEGMUGL-RHSMWYFYSA-N 0 1 365.502 4.546 50 0 aggregator FJAAMN Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)[nH]n2)c(O)c1 ZINC000008845375 571062792 /nfs/dbraw/zinc/06/27/92/571062792.db2.gz SKKAQVNMYMARSE-UHFFFAOYSA-N 0 1 355.825 4.613 50 0 FJAAMN O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000008862547 571063878 /nfs/dbraw/zinc/06/38/78/571063878.db2.gz URINTBWRYSKEDR-INIZCTEOSA-N 0 1 369.317 4.622 50 0 FJAAMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1sc2ccccc2c1Cl ZINC000012759954 571078507 /nfs/dbraw/zinc/07/85/07/571078507.db2.gz OVFZPLNLYLGCGN-HNNXBMFYSA-N 0 1 370.905 4.559 50 0 FJAAMN COc1cc(OC)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1Br ZINC000230133022 571095923 /nfs/dbraw/zinc/09/59/23/571095923.db2.gz HTDDXJUOHOGXSM-XJKSGUPXSA-N 0 1 368.315 4.621 50 0 FJAAMN COc1cc(OC)c(CN2CCC[C@@H]3CCCC[C@H]32)cc1Br ZINC000230133022 571095925 /nfs/dbraw/zinc/09/59/25/571095925.db2.gz HTDDXJUOHOGXSM-XJKSGUPXSA-N 0 1 368.315 4.621 50 0 FJAAMN CCc1ccc(-c2cc(C(=O)N3CC=C(c4ccccc4)CC3)n[nH]2)cc1 ZINC000015721758 571110364 /nfs/dbraw/zinc/11/03/64/571110364.db2.gz LOIWCYBFLPVEJA-UHFFFAOYSA-N 0 1 357.457 4.569 50 0 FJAAMN Cc1ccccc1[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccncc1 ZINC000055569074 571120906 /nfs/dbraw/zinc/12/09/06/571120906.db2.gz USIBCNBUUCZPEZ-QHCPKHFHSA-N 0 1 372.447 4.798 50 0 FJAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000026121493 571140460 /nfs/dbraw/zinc/14/04/60/571140460.db2.gz BROFZEOVZHJXHP-UHFFFAOYSA-N 0 1 370.541 4.663 50 0 FJAAMN Cc1ccsc1-c1nc(CN2CCC(CCn3cccn3)CC2)c(C)o1 ZINC000067741277 571149032 /nfs/dbraw/zinc/14/90/32/571149032.db2.gz UEGBPDBILDVFFP-UHFFFAOYSA-N 0 1 370.522 4.519 50 0 FJAAMN Cc1ccc2nc(CN[C@H](c3ccncc3)c3ccccc3C)[nH]c2c1C ZINC000067947418 571152181 /nfs/dbraw/zinc/15/21/81/571152181.db2.gz GHHSDQTYXJJEOB-HSZRJFAPSA-N 0 1 356.473 4.762 50 0 FJAAMN Cc1nc(CN2CC[C@@H](Nc3ccccc3)C2)oc1-c1ccc(Cl)cc1 ZINC000075109105 571155899 /nfs/dbraw/zinc/15/58/99/571155899.db2.gz LFYAKGRXZYAGFD-LJQANCHMSA-N 0 1 367.880 4.990 50 0 FJAAMN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2-c2nc3cnccc3[nH]2)o1 ZINC000072156069 571175108 /nfs/dbraw/zinc/17/51/08/571175108.db2.gz CBUPMHVQSFVVJY-UHFFFAOYSA-N 0 1 359.364 4.518 50 0 FJAAMN COc1ccccc1-c1ncc(CN2CCC[C@H]2c2ccccn2)s1 ZINC000072162627 571176191 /nfs/dbraw/zinc/17/61/91/571176191.db2.gz FWTDAONVKRWIMG-SFHVURJKSA-N 0 1 351.475 4.551 50 0 FJAAMN CC(=O)c1cc(CN2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)cs1 ZINC000072162208 571176204 /nfs/dbraw/zinc/17/62/04/571176204.db2.gz SSVFCZPOLYMFBT-KRWDZBQOSA-N 0 1 357.454 4.693 50 0 FJAAMN CCN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003280433 571178638 /nfs/dbraw/zinc/17/86/38/571178638.db2.gz GYNKNDFZSWFLJC-OAHLLOKOSA-N 0 1 356.775 4.648 50 0 FJAAMN CCN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003280431 571178721 /nfs/dbraw/zinc/17/87/21/571178721.db2.gz GYNKNDFZSWFLJC-HNNXBMFYSA-N 0 1 356.775 4.648 50 0 FJAAMN Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(F)c(C)c3)c2)cc1 ZINC000013000188 571187626 /nfs/dbraw/zinc/18/76/26/571187626.db2.gz PGJKBRZPGQNHHW-UHFFFAOYSA-N 0 1 362.448 4.985 50 0 FJAAMN CC(=O)c1c(C)cc(C)c(-c2nccn2[C@@H](C)Cc2cc(C)n[nH]2)c1C ZINC000072457939 571197588 /nfs/dbraw/zinc/19/75/88/571197588.db2.gz URNJHOINSRGOSC-HNNXBMFYSA-N 0 1 350.466 4.513 50 0 FJAAMN Cc1n[nH]c(C2CC2)c1-c1cccc(C(=O)N[C@H](C)Cc2cccs2)c1 ZINC000534656968 571207996 /nfs/dbraw/zinc/20/79/96/571207996.db2.gz OAKOUKQFZCSAJM-CYBMUJFWSA-N 0 1 365.502 4.685 50 0 FJAAMN Cc1[nH]c2ccccc2c1C1CCN(Cc2nc3cccnc3s2)CC1 ZINC000089534421 571211891 /nfs/dbraw/zinc/21/18/91/571211891.db2.gz VUOFBSGJMNSTDM-UHFFFAOYSA-N 0 1 362.502 4.861 50 0 FJAAMN Cc1cccc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)c1 ZINC000077505226 571213987 /nfs/dbraw/zinc/21/39/87/571213987.db2.gz OWIIQMYQLHXUEB-SFHVURJKSA-N 0 1 363.436 4.544 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ccco3)n[nH]2)s1 ZINC000082125700 571228883 /nfs/dbraw/zinc/22/88/83/571228883.db2.gz PIKSOCDGFNIXQP-INIZCTEOSA-N 0 1 355.463 4.797 50 0 FJAAMN CN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)[C@@H](c1ccccn1)C1CC1 ZINC000091254848 571238554 /nfs/dbraw/zinc/23/85/54/571238554.db2.gz LXVMZOMXCUBTBF-HXUWFJFHSA-N 0 1 353.853 4.572 50 0 FJAAMN CSc1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000006653849 571239577 /nfs/dbraw/zinc/23/95/77/571239577.db2.gz VQSRVJSZWKSMEL-UHFFFAOYSA-N 0 1 363.895 4.669 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CC[C@@H](c4ccccc4Cl)C3)n[nH]2)s1 ZINC000091563183 571240734 /nfs/dbraw/zinc/24/07/34/571240734.db2.gz ALWQPQWEGRGFEN-CYBMUJFWSA-N 0 1 371.893 4.730 50 0 FJAAMN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccccc2)c1OC ZINC000036347922 571249099 /nfs/dbraw/zinc/24/90/99/571249099.db2.gz GNTRNLFNBLSYAO-JOCHJYFZSA-N 0 1 362.473 4.501 50 0 FJAAMN CCN(CC(=O)Nc1c(C)cc(C)cc1C)[C@H](C)c1cccc(OC)c1 ZINC000036392977 571252853 /nfs/dbraw/zinc/25/28/53/571252853.db2.gz CKFRHJHSNKIGLB-GOSISDBHSA-N 0 1 354.494 4.642 50 0 FJAAMN O=C(CCc1cnc[nH]1)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC000170607959 571267344 /nfs/dbraw/zinc/26/73/44/571267344.db2.gz BZTINXVBCIKXEG-UHFFFAOYSA-N 0 1 357.866 4.786 50 0 FJAAMN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000037560033 571287945 /nfs/dbraw/zinc/28/79/45/571287945.db2.gz AEKGBZGUKIJVRF-UHFFFAOYSA-N 0 1 354.469 4.542 50 0 FJAAMN CCCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037570634 571288157 /nfs/dbraw/zinc/28/81/57/571288157.db2.gz NUZFPHOJXYIHRQ-UHFFFAOYSA-N 0 1 368.496 4.932 50 0 FJAAMN COc1c(C)cnc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)c1C ZINC000038825141 571308629 /nfs/dbraw/zinc/30/86/29/571308629.db2.gz ZDPNHILRSYBHEO-UHFFFAOYSA-N 0 1 367.396 4.894 50 0 FJAAMN Cc1ccc2nc([C@H]3CCCN3Cc3cn4cc(Cl)ccc4n3)[nH]c2c1 ZINC000253428428 571313268 /nfs/dbraw/zinc/31/32/68/571313268.db2.gz JTETUSAQFAXGLZ-GOSISDBHSA-N 0 1 365.868 4.510 50 0 FJAAMN Cc1nc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccn12 ZINC000095446442 571329758 /nfs/dbraw/zinc/32/97/58/571329758.db2.gz QRWDFUZMJWMPCC-UHFFFAOYSA-N 0 1 372.428 4.757 50 0 FJAAMN Cc1ccc2nc(-c3ccccc3NC(=O)Cc3ccc(F)cc3)[nH]c2c1 ZINC000021362553 571334300 /nfs/dbraw/zinc/33/43/00/571334300.db2.gz ZBJHXLNWJIXEPF-UHFFFAOYSA-N 0 1 359.404 4.859 50 0 FJAAMN O=C(c1cnc2onc(-c3ccc(Cl)cc3)c2c1)c1cc(F)ccc1O ZINC000002654123 571340117 /nfs/dbraw/zinc/34/01/17/571340117.db2.gz KLFLQKYSDQDPPJ-UHFFFAOYSA-N 0 1 368.751 4.619 50 0 FJAAMN O=C(Nc1cccc2c1CCCC2)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000057412479 571343223 /nfs/dbraw/zinc/34/32/23/571343223.db2.gz AKKNHTWMJVKBSE-UHFFFAOYSA-N 0 1 351.837 4.861 50 0 FJAAMN C[C@H]1CCCCN1Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000057427724 571343380 /nfs/dbraw/zinc/34/33/80/571343380.db2.gz LONPHRVCDZFBKG-KRWDZBQOSA-N 0 1 363.461 4.690 50 0 FJAAMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2cccs2)c2ccccc2)cc1F ZINC000057508779 571343915 /nfs/dbraw/zinc/34/39/15/571343915.db2.gz ZKHQUIFVUKEQPE-MGPUTAFESA-N 0 1 368.477 4.902 50 0 FJAAMN CCn1c2ccccc2c2cc(NC(=O)CNCc3cccs3)ccc21 ZINC000003338896 571347762 /nfs/dbraw/zinc/34/77/62/571347762.db2.gz SFKDKUIBVILDKR-UHFFFAOYSA-N 0 1 363.486 4.604 50 0 FJAAMN CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008126478 571359120 /nfs/dbraw/zinc/35/91/20/571359120.db2.gz QIWHYQZOGCWXNY-SFHVURJKSA-N 0 1 363.288 4.941 50 0 FJAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008126762 571359210 /nfs/dbraw/zinc/35/92/10/571359210.db2.gz HXGGXHBPTDGCSA-QGZVFWFLSA-N 0 1 363.288 4.941 50 0 FJAAMN CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000008132581 571359374 /nfs/dbraw/zinc/35/93/74/571359374.db2.gz YIYGPRDTARDTNP-UHFFFAOYSA-N 0 1 374.289 4.674 50 0 FJAAMN Cc1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000634185 219307646 /nfs/dbraw/zinc/30/76/46/219307646.db2.gz QTCJTRZGGRBCEN-UHFFFAOYSA-N 0 1 350.654 4.756 50 0 FJAAMN CN1[C@H]2C=C(N(C(=O)c3ccc(Cl)cc3)c3ccccc3)C[C@@H]1CC2 ZINC000000755209 219319184 /nfs/dbraw/zinc/31/91/84/219319184.db2.gz PAAJTXSXVPEGFW-MOPGFXCFSA-N 0 1 352.865 4.737 50 0 FJAAMN COC(=O)CN1C(c2ccccc2)=Nc2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000000845423 219329634 /nfs/dbraw/zinc/32/96/34/219329634.db2.gz ZMWKHABCFQCHRI-QHCPKHFHSA-N 0 1 370.452 4.651 50 0 FJAAMN O=S(=O)(Nc1cccc(F)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000001027560 219355145 /nfs/dbraw/zinc/35/51/45/219355145.db2.gz SARVOJRCAZDDMY-UHFFFAOYSA-N 0 1 354.617 4.587 50 0 FJAAMN Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(Br)ccc2[nH+]1 ZINC000001114137 219372686 /nfs/dbraw/zinc/37/26/86/219372686.db2.gz WSFAJONSOYOWLN-UHFFFAOYSA-N 0 1 357.207 4.748 50 0 FJAAMN O=C(CCCSc1nc(C=Cc2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000014807721 209591648 /nfs/dbraw/zinc/59/16/48/209591648.db2.gz UFSYWMZAXZSZFF-JLHYYAGUSA-N 0 1 367.449 4.869 50 0 FJAAMN COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1Br ZINC000000755531 209482303 /nfs/dbraw/zinc/48/23/03/209482303.db2.gz TVLNYZQIXUQKGI-UHFFFAOYSA-N 0 1 374.322 4.912 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)[nH]c2c1 ZINC000005728658 209445382 /nfs/dbraw/zinc/44/53/82/209445382.db2.gz QBBGAKZPRHAOLU-UHFFFAOYSA-N 0 1 366.273 4.909 50 0 FJAAMN CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CCCCC1)CCCC2 ZINC000000950033 209384603 /nfs/dbraw/zinc/38/46/03/209384603.db2.gz SEIHYLKRJMDYJI-FQEVSTJZSA-N 0 1 369.534 4.556 50 0 FJAAMN CCn1c2ccccc2c2cc(CNCc3nc4ccccc4[nH]3)ccc21 ZINC000113397856 209336532 /nfs/dbraw/zinc/33/65/32/209336532.db2.gz INQZCQHXIJSUCG-UHFFFAOYSA-N 0 1 354.457 4.981 50 0 FJAAMN COc1ccccc1CN[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012593218 220010536 /nfs/dbraw/zinc/01/05/36/220010536.db2.gz ONLAKLBOHLFOBT-NRFANRHFSA-N 0 1 361.489 4.665 50 0 FJAAMN Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)[nH]c2c1 ZINC000012591853 220011380 /nfs/dbraw/zinc/01/13/80/220011380.db2.gz KTNWDRXRDLBDAF-UHFFFAOYSA-N 0 1 366.273 4.909 50 0 FJAAMN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012702476 220017707 /nfs/dbraw/zinc/01/77/07/220017707.db2.gz JYPRTEYNYRBMSX-GOSISDBHSA-N 0 1 373.928 4.829 50 0 FJAAMN O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000013607766 220078220 /nfs/dbraw/zinc/07/82/20/220078220.db2.gz DQINBJVNPCCBEE-UHFFFAOYSA-N 0 1 367.452 4.716 50 0 FJAAMN Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(C(F)(F)F)c1 ZINC000015582002 220155885 /nfs/dbraw/zinc/15/58/85/220155885.db2.gz RKVMGYKHIFONQX-UHFFFAOYSA-N 0 1 373.422 4.857 50 0 FJAAMN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F ZINC000016130131 220178051 /nfs/dbraw/zinc/17/80/51/220178051.db2.gz MMEDQEFNHFCPIK-UHFFFAOYSA-N 0 1 369.286 4.525 50 0 FJAAMN CC[C@@H](C)N(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@@H](C)CC ZINC000019316462 220250198 /nfs/dbraw/zinc/25/01/98/220250198.db2.gz ZKAPOWNFQZVGRH-IYBDPMFKSA-N 0 1 373.566 4.827 50 0 FJAAMN CN1CCN(C/C=C2\c3ccccc3CSc3cc(Cl)ccc32)CC1 ZINC000019370806 220253106 /nfs/dbraw/zinc/25/31/06/220253106.db2.gz UFCNCLSIWYRAOP-UFWORHAWSA-N 0 1 370.949 4.625 50 0 FJAAMN CCOc1ccc2nc(SCc3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000002464672 206918131 /nfs/dbraw/zinc/91/81/31/206918131.db2.gz RJIZHIISDWEBJV-UHFFFAOYSA-N 0 1 374.334 4.949 50 0 FJAAMN CCOc1ccc(-c2cnc(NCc3ccc(C)cc3)n2CCOC)cc1 ZINC000004679260 207036975 /nfs/dbraw/zinc/03/69/75/207036975.db2.gz XKZVTLUJBVEBQY-UHFFFAOYSA-N 0 1 365.477 4.516 50 0 FJAAMN Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000004755170 207046600 /nfs/dbraw/zinc/04/66/00/207046600.db2.gz JIAGZKFTVLYSLI-UHFFFAOYSA-N 0 1 371.440 4.864 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccccc3F)n2)c1O ZINC000005574018 207106269 /nfs/dbraw/zinc/10/62/69/207106269.db2.gz FMGGCOCWGYQPFJ-UHFFFAOYSA-N 0 1 362.360 4.942 50 0 FJAAMN COc1ccc([C@@H]2NCc3c4c(sc3-n3cccc32)CCCC4)cc1 ZINC000005759757 207116671 /nfs/dbraw/zinc/11/66/71/207116671.db2.gz YBWUFNOXFGTPPO-FQEVSTJZSA-N 0 1 350.487 4.619 50 0 FJAAMN Cc1ccc2c(CSc3nc(-c4cccs4)n[nH]3)cc(=O)oc2c1C ZINC000008230777 207224496 /nfs/dbraw/zinc/22/44/96/207224496.db2.gz IJKUPXZTFNLILF-UHFFFAOYSA-N 0 1 369.471 4.549 50 0 FJAAMN Cc1cc(C)c(C(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1C ZINC000008230775 207225128 /nfs/dbraw/zinc/22/51/28/207225128.db2.gz RXIITCMZLDCRAO-ZDUSSCGKSA-N 0 1 357.504 4.822 50 0 FJAAMN Cc1cccc(C)c1NC(=O)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139654 207295589 /nfs/dbraw/zinc/29/55/89/207295589.db2.gz KBRVTWONTIZWQC-UHFFFAOYSA-N 0 1 361.489 4.603 50 0 FJAAMN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1CCCn1cccn1 ZINC000011945283 207330438 /nfs/dbraw/zinc/33/04/38/207330438.db2.gz GBUVNQBCXRVLFU-XMMPIXPASA-N 0 1 370.500 4.711 50 0 FJAAMN COc1ccc(-n2ncc([C@@H](C)NCc3cccc(SC)c3)c2C)cc1 ZINC000011842737 207325665 /nfs/dbraw/zinc/32/56/65/207325665.db2.gz PGKGNPCOSAZLMJ-OAHLLOKOSA-N 0 1 367.518 4.762 50 0 FJAAMN C[C@@H]1CCCCN1Cc1nc2ccccc2c(NCc2cccs2)n1 ZINC000012135165 207341234 /nfs/dbraw/zinc/34/12/34/207341234.db2.gz RUEXPPPCZVZYHO-OAHLLOKOSA-N 0 1 352.507 4.678 50 0 FJAAMN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(Cc2cc(C(C)C)[nH]n2)C1 ZINC000012299668 207356938 /nfs/dbraw/zinc/35/69/38/207356938.db2.gz GXBJBEBSBIMMHB-OAHLLOKOSA-N 0 1 359.901 4.590 50 0 FJAAMN CN(C)[C@H](CNC(=O)C1(Cc2ccccc2)CCCCC1)c1cccs1 ZINC000012948283 207441283 /nfs/dbraw/zinc/44/12/83/207441283.db2.gz CGXKGFJPWBDWNY-LJQANCHMSA-N 0 1 370.562 4.660 50 0 FJAAMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)c3ccc(C)cc3)n2)o1 ZINC000031802169 208016831 /nfs/dbraw/zinc/01/68/31/208016831.db2.gz VCTMZVMRBZKRAI-PLSXKVAHSA-N 0 1 353.447 4.548 50 0 FJAAMN C[C@@H](c1ccccc1)N(C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000032937453 208060267 /nfs/dbraw/zinc/06/02/67/208060267.db2.gz RVMBQMFUNIBPPN-XMHCIUCPSA-N 0 1 356.318 4.794 50 0 FJAAMN CC(C)C(=O)N(c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682482 208105316 /nfs/dbraw/zinc/10/53/16/208105316.db2.gz VBQBECMDHYGPDR-UHFFFAOYSA-N 0 1 370.924 4.994 50 0 FJAAMN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccco3)CC2)cc1 ZINC000034682548 208105497 /nfs/dbraw/zinc/10/54/97/208105497.db2.gz IHPKTJFQHZXHAP-UHFFFAOYSA-N 0 1 374.484 4.899 50 0 FJAAMN CCCc1n[nH]c(-c2cccc(OC)c2)c1NC(=O)c1ccccc1Cl ZINC000034796162 208110050 /nfs/dbraw/zinc/11/00/50/208110050.db2.gz NDMYYMSEMLUIMR-UHFFFAOYSA-N 0 1 369.852 4.944 50 0 FJAAMN CCc1n[nH]c(CCc2ccccc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034795322 208110247 /nfs/dbraw/zinc/11/02/47/208110247.db2.gz IUKFLIONKORRIQ-UHFFFAOYSA-N 0 1 353.853 4.663 50 0 FJAAMN c1cnn(-c2ccc(CN3CCC[C@H]3c3nc4ccccc4s3)cc2)c1 ZINC000037122291 208176438 /nfs/dbraw/zinc/17/64/38/208176438.db2.gz YHUQJBMDOLTRRG-IBGZPJMESA-N 0 1 360.486 4.819 50 0 FJAAMN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000037559960 208183205 /nfs/dbraw/zinc/18/32/05/208183205.db2.gz SBTIOTLIGONJIO-UHFFFAOYSA-N 0 1 372.459 4.763 50 0 FJAAMN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1Cl ZINC000040478285 208255013 /nfs/dbraw/zinc/25/50/13/208255013.db2.gz RUQVBHPDSORVMF-UHFFFAOYSA-N 0 1 362.216 4.644 50 0 FJAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000020594950 220334935 /nfs/dbraw/zinc/33/49/35/220334935.db2.gz CMUPYGJONCRICR-UHFFFAOYSA-N 0 1 370.541 4.807 50 0 FJAAMN CCCOc1ccc(CN2CCC[C@@H]2c2c(C)noc2CC)cc1OC ZINC000021720867 220364587 /nfs/dbraw/zinc/36/45/87/220364587.db2.gz UYUDTDQMLAPIAV-QGZVFWFLSA-N 0 1 358.482 4.680 50 0 FJAAMN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(-c4ccccc4)[nH]n3)cc2)C1 ZINC000022662905 220393802 /nfs/dbraw/zinc/39/38/02/220393802.db2.gz DVNRGCIBTLDQGA-CALCHBBNSA-N 0 1 359.473 4.862 50 0 FJAAMN Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)n[nH]2)s1 ZINC000091974355 209008661 /nfs/dbraw/zinc/00/86/61/209008661.db2.gz ASQURTNPXTVJST-UHFFFAOYSA-N 0 1 367.449 4.515 50 0 FJAAMN Clc1cc(CN2CCC(Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000049580952 221026050 /nfs/dbraw/zinc/02/60/50/221026050.db2.gz OAJJWUYIGXBTNS-UHFFFAOYSA-N 0 1 357.881 4.661 50 0 FJAAMN CCOc1ccc(-c2cc(C(=O)Nc3cccc4c3CCCC4)[nH]n2)cc1 ZINC000051315404 221034641 /nfs/dbraw/zinc/03/46/41/221034641.db2.gz RDVXXRYCFJHGRC-UHFFFAOYSA-N 0 1 361.445 4.607 50 0 FJAAMN Fc1ccc(CN(Cc2ccncc2)Cc2cccc(-n3cccn3)c2)cc1 ZINC000055270354 221064919 /nfs/dbraw/zinc/06/49/19/221064919.db2.gz UKVRCPBYXOMRRP-UHFFFAOYSA-N 0 1 372.447 4.609 50 0 FJAAMN Clc1ccc2c(c1)nccc2N1CCN(C/C=C\c2ccccc2)CC1 ZINC000096634874 132225687 /nfs/dbraw/zinc/22/56/87/132225687.db2.gz WVAZDBQWWIYDKI-DAXSKMNVSA-N 0 1 363.892 4.724 50 0 FJAAMN c1ccc(COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000001226243 132381332 /nfs/dbraw/zinc/38/13/32/132381332.db2.gz RFXVLSFYGBZYOT-UHFFFAOYSA-N 0 1 358.485 4.588 50 0 FJAAMN Cc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004980832 132825701 /nfs/dbraw/zinc/82/57/01/132825701.db2.gz FTHDQEJSUJXSSY-UHFFFAOYSA-N 0 1 372.512 4.896 50 0 FJAAMN c1ccc(COc2cccc(CN3CCN(c4ccccc4)CC3)c2)cc1 ZINC000055292091 136126435 /nfs/dbraw/zinc/12/64/35/136126435.db2.gz KEIRUANAOKQIJE-UHFFFAOYSA-N 0 1 358.485 4.588 50 0 FJAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc4cccc(C)c4o3)[nH]c2c1 ZINC000077438438 221626637 /nfs/dbraw/zinc/62/66/37/221626637.db2.gz CAWQQJWHUZLWFW-SFHVURJKSA-N 0 1 359.429 4.903 50 0 FJAAMN C[C@H](c1ccc(C(=O)NCCCSc2ccccc2)o1)N1CCCCC1 ZINC000097797677 222214918 /nfs/dbraw/zinc/21/49/18/222214918.db2.gz YSZXSLOHAXCPGV-QGZVFWFLSA-N 0 1 372.534 4.739 50 0 FJAAMN COc1cccc(-c2nc3ccccc3c(NCCc3ccccc3)n2)c1O ZINC000002220483 263144841 /nfs/dbraw/zinc/14/48/41/263144841.db2.gz OYLUERHBMQTRIK-UHFFFAOYSA-N 0 1 371.440 4.666 50 0 FJAAMN CCCOc1c(Cl)cc(CNCc2ccc(F)cc2)cc1OCC ZINC000020932008 520297316 /nfs/dbraw/zinc/29/73/16/520297316.db2.gz KSNCYYKGOPTDTD-UHFFFAOYSA-N 0 1 351.849 4.956 50 0 FJAAMN CCCOc1ccc(Br)cc1CNCc1ccc(F)cc1 ZINC000020929337 520325830 /nfs/dbraw/zinc/32/58/30/520325830.db2.gz HAEJEXCNYUJKHY-UHFFFAOYSA-N 0 1 352.247 4.667 50 0 FJAAMN CCOc1cc(CNCc2ccco2)ccc1OCc1ccc(C)cc1 ZINC000020874401 520724753 /nfs/dbraw/zinc/72/47/53/520724753.db2.gz DJSWJQMYUXHRNW-UHFFFAOYSA-N 0 1 351.446 4.856 50 0 FJAAMN Fc1cccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccc(F)c3F)C2)c1 ZINC000020293906 526379972 /nfs/dbraw/zinc/37/99/72/526379972.db2.gz SUUQGAMPRHWMAT-INIZCTEOSA-N 0 1 371.406 4.874 50 0 FJAAMN Cc1noc(C)c1NC(=O)c1ccc([C@@H]2CCCN2C/C=C/C(C)C)s1 ZINC000020537105 526547379 /nfs/dbraw/zinc/54/73/79/526547379.db2.gz OCZKARXEBDLTQR-YERXGYGTSA-N 0 1 373.522 4.954 50 0 FJAAMN c1csc(-c2noc(CN3CCCC[C@@H]3CCc3ccccc3)n2)c1 ZINC000012585316 526575684 /nfs/dbraw/zinc/57/56/84/526575684.db2.gz WVSUSAKFWHBFHR-QGZVFWFLSA-N 0 1 353.491 4.785 50 0 FJAAMN Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1COc2ccccc21 ZINC000089517378 526928092 /nfs/dbraw/zinc/92/80/92/526928092.db2.gz OYTOMXNSICLWAG-KBXCAEBGSA-N 0 1 350.487 4.827 50 0 FJAAMN Cc1nc([C@@H]2CCCN2Cc2ccc(Sc3ccc(C)cc3)o2)n[nH]1 ZINC000215197266 568057233 /nfs/dbraw/zinc/05/72/33/568057233.db2.gz PRLPYEHBDGAVPM-KRWDZBQOSA-N 0 1 354.479 4.503 50 0 FJAAMN COc1ccc(CN(C)Cc2ccc([C@H]3CCCCO3)o2)c2cccnc12 ZINC000216405644 568122053 /nfs/dbraw/zinc/12/20/53/568122053.db2.gz KKEQUIWOZMDUQV-LJQANCHMSA-N 0 1 366.461 4.710 50 0 FJAAMN COc1ccc(CN(C)Cc2ccc([C@@H]3CCCCO3)o2)c2cccnc12 ZINC000216405590 568122073 /nfs/dbraw/zinc/12/20/73/568122073.db2.gz KKEQUIWOZMDUQV-IBGZPJMESA-N 0 1 366.461 4.710 50 0 FJAAMN Clc1cc(Cl)c(OCCCCCN2CCOCC2)c(Cl)c1 ZINC000022385616 568255059 /nfs/dbraw/zinc/25/50/59/568255059.db2.gz AJVGPPRFJPIDHP-UHFFFAOYSA-N 0 1 352.689 4.528 50 0 FJAAMN Cc1cc2cc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)ccc2o1 ZINC000091943058 570443059 /nfs/dbraw/zinc/44/30/59/570443059.db2.gz XQNWAQYPNAGAIM-UHFFFAOYSA-N 0 1 353.809 4.543 50 0 FJAAMN COc1ccc(Br)cc1CN1CCC(Cc2ccccc2)CC1 ZINC000000755527 570454945 /nfs/dbraw/zinc/45/49/45/570454945.db2.gz UYROPOBGQSUWKF-UHFFFAOYSA-N 0 1 374.322 4.912 50 0 FJAAMN Cc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Cc2cccs2)c(C)c1 ZINC000034794840 570557871 /nfs/dbraw/zinc/55/78/71/570557871.db2.gz JLISNDXCLRRODG-UHFFFAOYSA-N 0 1 351.475 4.814 50 0 FJAAMN CC(C)CC(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000034795559 570558264 /nfs/dbraw/zinc/55/82/64/570558264.db2.gz JZEFKZTVWHLSKM-UHFFFAOYSA-N 0 1 351.372 4.958 50 0 FJAAMN CCc1n[nH]c(-c2ccc(F)c(F)c2)c1NC(=O)c1ccc(Cl)cc1 ZINC000034795664 570558358 /nfs/dbraw/zinc/55/83/58/570558358.db2.gz SSLPBCKVHXEBEE-UHFFFAOYSA-N 0 1 361.779 4.823 50 0 FJAAMN CCc1n[nH]c(-c2ccc(F)c(F)c2)c1NC(=O)c1ccccc1Cl ZINC000034795661 570558364 /nfs/dbraw/zinc/55/83/64/570558364.db2.gz XQJVEXQBMYPDBB-UHFFFAOYSA-N 0 1 361.779 4.823 50 0 FJAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)c2cccc(Cl)c2)c1 ZINC000034796149 570558701 /nfs/dbraw/zinc/55/87/01/570558701.db2.gz XCBDYOZMDWKTCK-UHFFFAOYSA-N 0 1 367.836 4.868 50 0 FJAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)Nc1ccccc1C ZINC000034796746 570559117 /nfs/dbraw/zinc/55/91/17/570559117.db2.gz VELCRVRRWUISEU-UHFFFAOYSA-N 0 1 362.433 4.915 50 0 FJAAMN COc1cc(OC)c(CN2CCC[C@H]3CCCC[C@@H]32)cc1Br ZINC000004022267 570573133 /nfs/dbraw/zinc/57/31/33/570573133.db2.gz HTDDXJUOHOGXSM-CJNGLKHVSA-N 0 1 368.315 4.621 50 0 FJAAMN CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000011917284 570602078 /nfs/dbraw/zinc/60/20/78/570602078.db2.gz WTJXNKDVVORAQI-IBGZPJMESA-N 0 1 374.912 4.552 50 0 FJAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000206669739 570679333 /nfs/dbraw/zinc/67/93/33/570679333.db2.gz JBTBREYUCLICNB-HNNXBMFYSA-N 0 1 369.465 4.687 50 0 FJAAMN COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccccc1F ZINC000008495689 570682519 /nfs/dbraw/zinc/68/25/19/570682519.db2.gz WRMIAVCOFONIAT-UHFFFAOYSA-N 0 1 369.411 4.842 50 0 FJAAMN COc1ccc(-c2n[nH]cc2CN[C@H](C)c2ccccc2Cl)cc1F ZINC000011664180 570704821 /nfs/dbraw/zinc/70/48/21/570704821.db2.gz LXOJPRHLKHXCPE-GFCCVEGCSA-N 0 1 359.832 4.729 50 0 FJAAMN COc1ccccc1CN1CCC[C@@H](C(=O)c2ccccc2SC)C1 ZINC000011872904 570710341 /nfs/dbraw/zinc/71/03/41/570710341.db2.gz RSAONVIUHFBLSA-QGZVFWFLSA-N 0 1 355.503 4.512 50 0 FJAAMN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000012305073 570734804 /nfs/dbraw/zinc/73/48/04/570734804.db2.gz DNTGSFAWVLLJCK-QFIPXVFZSA-N 0 1 356.469 4.844 50 0 FJAAMN CCn1ncc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)c1C ZINC000012441908 570746120 /nfs/dbraw/zinc/74/61/20/570746120.db2.gz URKWGAOENROFBU-LJQANCHMSA-N 0 1 367.537 4.604 50 0 FJAAMN Cc1c([C@H](C)NCc2cccc(O)c2)cnn1-c1cccc2ccccc21 ZINC000012468412 570748262 /nfs/dbraw/zinc/74/82/62/570748262.db2.gz DEPZZGYRLLWCHC-INIZCTEOSA-N 0 1 357.457 4.890 50 0 FJAAMN CC[C@@H]1CCCCN1c1nc(-c2cccc(OC)c2O)nc2ccccc21 ZINC000013127424 570774288 /nfs/dbraw/zinc/77/42/88/570774288.db2.gz QKIPZWIPWXDLCI-OAHLLOKOSA-N 0 1 363.461 4.780 50 0 aggregator FJAAMN Fc1ccccc1-c1n[nH]c(SCc2coc(-c3cccs3)n2)n1 ZINC000005677093 570807728 /nfs/dbraw/zinc/80/77/28/570807728.db2.gz XHIPQJUXZDKLMZ-UHFFFAOYSA-N 0 1 358.423 4.620 50 0 FJAAMN Cc1sc2[nH]c([C@H](C)N[C@@H](C)c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000014137085 570807860 /nfs/dbraw/zinc/80/78/60/570807860.db2.gz BQKLUWSPPHHPNO-QWRGUYRKSA-N 0 1 361.898 4.667 50 0 FJAAMN C[C@H](NCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000014197868 570812374 /nfs/dbraw/zinc/81/23/74/570812374.db2.gz CRRICWGIKOATBD-ZDUSSCGKSA-N 0 1 374.893 4.629 50 0 FJAAMN CCc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1 ZINC000004555328 570834065 /nfs/dbraw/zinc/83/40/65/570834065.db2.gz QJJAKYLKEIFYTC-GOSISDBHSA-N 0 1 355.507 4.506 50 0 FJAAMN CSc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1 ZINC000004555310 570834223 /nfs/dbraw/zinc/83/42/23/570834223.db2.gz FZDQLWKDVWVBJU-QGZVFWFLSA-N 0 1 373.547 4.665 50 0 FJAAMN CN(C)[C@H](CNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000016381838 570855391 /nfs/dbraw/zinc/85/53/91/570855391.db2.gz PFYOGWMHUOBLBC-CYBMUJFWSA-N 0 1 374.362 4.644 50 0 FJAAMN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cc(-c2ccccc2)n[nH]1 ZINC000032930722 570871182 /nfs/dbraw/zinc/87/11/82/570871182.db2.gz QXQONHXYQQPPQH-UHFFFAOYSA-N 0 1 374.375 4.655 50 0 FJAAMN CCOc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)cc1 ZINC000046914314 570877047 /nfs/dbraw/zinc/87/70/47/570877047.db2.gz ZNBKLOSOLINBNN-UHFFFAOYSA-N 0 1 360.417 4.809 50 0 FJAAMN Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837290 570900259 /nfs/dbraw/zinc/90/02/59/570900259.db2.gz ADDLAOQXVBEOKF-UHFFFAOYSA-N 0 1 370.250 4.708 50 0 FJAAMN Cc1cc(F)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837484 570900436 /nfs/dbraw/zinc/90/04/36/570900436.db2.gz DWEDAALFXUZERA-UHFFFAOYSA-N 0 1 374.213 4.539 50 0 FJAAMN C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044838383 570900723 /nfs/dbraw/zinc/90/07/23/570900723.db2.gz QCOOZTKINGQPEH-HNNXBMFYSA-N 0 1 353.425 4.821 50 0 FJAAMN C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C(c1ccccc1)c1ccccc1 ZINC000021841895 570935278 /nfs/dbraw/zinc/93/52/78/570935278.db2.gz MYTGLUPBFKQVGX-UHFFFAOYSA-N 0 1 361.470 4.618 50 0 FJAAMN CCCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 ZINC000027582485 571014389 /nfs/dbraw/zinc/01/43/89/571014389.db2.gz ZXOFWSZLPJNQBG-UHFFFAOYSA-N 0 1 374.491 4.564 50 0 FJAAMN FC(F)(F)[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000029118815 571036902 /nfs/dbraw/zinc/03/69/02/571036902.db2.gz NBSUTKVDXVVSSV-MRXNPFEDSA-N 0 1 359.395 4.776 50 0 FJAAMN Cc1ccc(Cl)c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1Cl ZINC000029482951 571039962 /nfs/dbraw/zinc/03/99/62/571039962.db2.gz DICBQRJOAHGLJV-INIZCTEOSA-N 0 1 363.288 4.860 50 0 FJAAMN CN(CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCc2ccccc21 ZINC000029483805 571040516 /nfs/dbraw/zinc/04/05/16/571040516.db2.gz NWNLBXIHYPINLX-QHCPKHFHSA-N 0 1 356.469 4.911 50 0 FJAAMN C[C@H](NC(=O)CN(C)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 ZINC000029485712 571041052 /nfs/dbraw/zinc/04/10/52/571041052.db2.gz VDAIFANXYRXOQG-GAJHUEQPSA-N 0 1 358.485 4.636 50 0 FJAAMN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2ccccc21 ZINC000015445961 571048268 /nfs/dbraw/zinc/04/82/68/571048268.db2.gz JLPWIRKHZQJNMW-UHFFFAOYSA-N 0 1 372.390 4.929 50 0 FJAAMN Fc1ccc(-c2ccc(CNCc3ccccc3Cn3ccnc3)o2)cc1 ZINC000030651984 571048889 /nfs/dbraw/zinc/04/88/89/571048889.db2.gz RRMMRKDXJPCYAQ-UHFFFAOYSA-N 0 1 361.420 4.620 50 0 FJAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(C)c2)nc1Cc1ccccc1 ZINC000008719820 571057550 /nfs/dbraw/zinc/05/75/50/571057550.db2.gz QRRJRADNOFWVAC-MRXNPFEDSA-N 0 1 365.502 4.737 50 0 FJAAMN CCCc1ccc(OCCN2CCCC[C@H]2c2cccnc2)c(OC)c1 ZINC000008739201 571058607 /nfs/dbraw/zinc/05/86/07/571058607.db2.gz ALSNXLQLDUXAAR-FQEVSTJZSA-N 0 1 354.494 4.649 50 0 FJAAMN Cc1[nH]c(SCc2noc(-c3cccs3)n2)nc1Cc1ccccc1 ZINC000040012650 571067702 /nfs/dbraw/zinc/06/77/02/571067702.db2.gz RRISCIZSOWOJJP-UHFFFAOYSA-N 0 1 368.487 4.713 50 0 FJAAMN CCc1cc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccc(CC)cc2)on1 ZINC000035511256 571076835 /nfs/dbraw/zinc/07/68/35/571076835.db2.gz XCTPFPLBWKEAIR-IBGZPJMESA-N 0 1 350.466 4.527 50 0 FJAAMN COc1ccc(-c2nnc(CN(Cc3ccccc3)[C@@H](C)C3CC3)o2)cc1 ZINC000040120224 571080625 /nfs/dbraw/zinc/08/06/25/571080625.db2.gz ZDVZAHGOPDFEDQ-INIZCTEOSA-N 0 1 363.461 4.546 50 0 FJAAMN COc1cccc(CNCc2cccs2)c1OCc1ccccc1C ZINC000040722309 571093146 /nfs/dbraw/zinc/09/31/46/571093146.db2.gz SQBUTPRKWMBJFZ-UHFFFAOYSA-N 0 1 353.487 4.934 50 0 FJAAMN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CCC ZINC000009942395 571121297 /nfs/dbraw/zinc/12/12/97/571121297.db2.gz LJIPUWVDBPXEAZ-UHFFFAOYSA-N 0 1 370.541 4.951 50 0 FJAAMN O=C(CCCCCCCCC(O)=C1CCCCC1=O)C1=C(O)CCCC1 ZINC000025627923 571132740 /nfs/dbraw/zinc/13/27/40/571132740.db2.gz RAOXNINWQAFWNG-QZTJIDSGSA-N 0 1 362.510 4.764 50 0 FJAAMN c1ccc(-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000045068794 571133254 /nfs/dbraw/zinc/13/32/54/571133254.db2.gz ZZNAMBJCBSFFCE-UHFFFAOYSA-N 0 1 358.485 4.555 50 0 FJAAMN Clc1cccc(Cl)c1Cn1nc(CNC2CC2)c(-c2ccccc2)n1 ZINC000253490594 571136077 /nfs/dbraw/zinc/13/60/77/571136077.db2.gz JIQBBFXVBAOYGP-UHFFFAOYSA-N 0 1 373.287 4.552 50 0 FJAAMN Clc1ccc(Cn2nc(CNC3CC3)c(-c3ccccc3)n2)cc1Cl ZINC000253490284 571136083 /nfs/dbraw/zinc/13/60/83/571136083.db2.gz HZXYJYZNAUHLOL-UHFFFAOYSA-N 0 1 373.287 4.552 50 0 FJAAMN Cc1ccccc1C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000015863861 571139301 /nfs/dbraw/zinc/13/93/01/571139301.db2.gz FMVLBPCKJFUBOD-UHFFFAOYSA-N 0 1 355.441 4.909 50 0 FJAAMN CC[C@@H](C)Oc1c(CNCc2cc3cc(OC)ccc3[nH]2)cccc1OC ZINC000063870064 571140264 /nfs/dbraw/zinc/14/02/64/571140264.db2.gz HTXSVLIPXAFTSS-OAHLLOKOSA-N 0 1 368.477 4.652 50 0 FJAAMN CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2CCC ZINC000026121480 571140443 /nfs/dbraw/zinc/14/04/43/571140443.db2.gz GFDKILYNDWBIBB-UHFFFAOYSA-N 0 1 370.541 4.807 50 0 FJAAMN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCc2sc(Cl)cc21 ZINC000520462391 571147187 /nfs/dbraw/zinc/14/71/87/571147187.db2.gz NOHNYFLGJVMVOQ-KRWDZBQOSA-N 0 1 357.910 4.981 50 0 FJAAMN O=c1cc(C(F)(F)F)nc(SCc2c(Cl)cccc2Cl)[nH]1 ZINC000075283086 571159626 /nfs/dbraw/zinc/15/96/26/571159626.db2.gz OHZDEWMUOIOUGY-UHFFFAOYSA-N 0 1 355.168 4.800 50 0 FJAAMN COc1ccc(CCN(Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC ZINC000004699250 571163799 /nfs/dbraw/zinc/16/37/99/571163799.db2.gz CYQQPFWMPLQENJ-UHFFFAOYSA-N 0 1 369.461 4.752 50 0 FJAAMN Fc1ccc2nc([C@@H]3CCCN3Cc3cncn3C3CCCCC3)[nH]c2c1 ZINC000072172395 571177726 /nfs/dbraw/zinc/17/77/26/571177726.db2.gz OWWPEDFCBXEULO-FQEVSTJZSA-N 0 1 367.472 4.741 50 0 FJAAMN O=C(Nc1cccc2c1CCC2)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000299762442 571193761 /nfs/dbraw/zinc/19/37/61/571193761.db2.gz VKAXQDDYZQJIOR-IBGZPJMESA-N 0 1 364.424 4.560 50 0 FJAAMN Cc1cc(O)c(-c2cc(C(=O)Nc3cccc4ccccc43)[nH]n2)cc1C ZINC000072427470 571202289 /nfs/dbraw/zinc/20/22/89/571202289.db2.gz UPEHAXODCDEMJK-UHFFFAOYSA-N 0 1 357.413 4.805 50 0 FJAAMN O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000077284740 571206018 /nfs/dbraw/zinc/20/60/18/571206018.db2.gz WOZGUELFOOVYPC-SFHVURJKSA-N 0 1 370.456 4.578 50 0 FJAAMN Cc1ccsc1CN(C)C(=O)c1cccc(-c2c(C)n[nH]c2C2CC2)c1 ZINC000534635509 571206982 /nfs/dbraw/zinc/20/69/82/571206982.db2.gz PHWRFXVCVXKSJJ-UHFFFAOYSA-N 0 1 365.502 4.905 50 0 FJAAMN Fc1cnc(Br)c2nc(-c3c(Cl)cccc3Cl)[nH]c21 ZINC000079058101 571217156 /nfs/dbraw/zinc/21/71/56/571217156.db2.gz VKOGJQLJHQFCSW-UHFFFAOYSA-N 0 1 361.001 4.833 50 0 FJAAMN Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000006639533 571238417 /nfs/dbraw/zinc/23/84/17/571238417.db2.gz RNVONIZPJVDUIR-UHFFFAOYSA-N 0 1 367.751 4.607 50 0 FJAAMN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000007343034 571264695 /nfs/dbraw/zinc/26/46/95/571264695.db2.gz BVSBZNDUFXTYJK-UHFFFAOYSA-N 0 1 353.491 4.727 50 0 FJAAMN CCC(CC)N1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000097077561 571336792 /nfs/dbraw/zinc/33/67/92/571336792.db2.gz DPULLSGYJXTMNO-UHFFFAOYSA-N 0 1 373.566 4.764 50 0 FJAAMN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl ZINC000002644629 571339955 /nfs/dbraw/zinc/33/99/55/571339955.db2.gz VLJAPHOLSLZJCF-UHFFFAOYSA-N 0 1 370.179 4.813 50 0 FJAAMN O=C(c1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1)c1ccccc1O ZINC000003251417 571346118 /nfs/dbraw/zinc/34/61/18/571346118.db2.gz YLLBPBQLWCWZOV-UHFFFAOYSA-N 0 1 367.619 4.769 50 0 FJAAMN O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(F)c(F)c1 ZINC000003259436 571346246 /nfs/dbraw/zinc/34/62/46/571346246.db2.gz HTYMPSQBLBCVNZ-UHFFFAOYSA-N 0 1 361.369 4.558 50 0 FJAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000003437412 571349661 /nfs/dbraw/zinc/34/96/61/571349661.db2.gz KYJWMEROZYEEGD-OAQYLSRUSA-N 0 1 360.457 4.514 50 0 FJAAMN Cc1ccc2nc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)[nH]c2c1 ZINC000031848423 571353990 /nfs/dbraw/zinc/35/39/90/571353990.db2.gz QGEVJSPQSSWENU-UHFFFAOYSA-N 0 1 366.424 4.604 50 0 FJAAMN