smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(I)cc1Cl)c1cccc(Br)c1O ZINC001441328742 1066028805 /nfs/dbraw/zinc/02/88/05/1066028805.db2.gz QXFMJCMDGLPACE-UHFFFAOYSA-N 0 2 452.473 4.665 20 0 JJADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccnc(Cl)c1F ZINC001441187522 1066013024 /nfs/dbraw/zinc/01/30/24/1066013024.db2.gz MLHTWBKYCLHVQO-UHFFFAOYSA-N 0 2 458.273 4.720 20 0 JJADLN O=Cc1ccc(/C=C\C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cc1 ZINC001441192367 1066014178 /nfs/dbraw/zinc/01/41/78/1066014178.db2.gz YBQBISXUWDVMPG-XFXZXTDPSA-N 0 2 458.898 4.744 20 0 JJADLN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc(Br)c(F)cc3O)ccc21 ZINC001443050698 1066259035 /nfs/dbraw/zinc/25/90/35/1066259035.db2.gz RKQPDQIEHDFJOS-UHFFFAOYSA-N 0 2 451.292 4.844 20 0 JJADLN COc1cccc(Cn2c(NC(=O)c3cccc(Br)c3O)nc3ccccc32)c1 ZINC001443056142 1066260582 /nfs/dbraw/zinc/26/05/82/1066260582.db2.gz YYDSFGFXELYOJT-UHFFFAOYSA-N 0 2 452.308 4.814 20 0 JJADLN O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC001454662267 1066317975 /nfs/dbraw/zinc/31/79/75/1066317975.db2.gz KLMVWKBXXZURLW-FQEVSTJZSA-N 0 2 454.958 4.690 20 0 JJADLN O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(Br)cc(Br)c1O ZINC001454881975 1066338233 /nfs/dbraw/zinc/33/82/33/1066338233.db2.gz RLYKFOCMHXBEQG-GZMMTYOYSA-N 0 2 457.084 4.792 20 0 JJADLN COc1ccc(CCN(CC(C)C)C(=O)c2cc(Br)c(F)cc2O)cc1OC ZINC001443900730 1066383645 /nfs/dbraw/zinc/38/36/45/1066383645.db2.gz WAAOAVPODWWUCI-UHFFFAOYSA-N 0 2 454.336 4.652 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)=N2)cc1 ZINC001455944763 1066457010 /nfs/dbraw/zinc/45/70/10/1066457010.db2.gz LIQWWZIZTAFHAO-OAQYLSRUSA-N 0 2 453.514 4.653 20 0 JJADLN Cc1ccc(-n2c(NC(=O)c3ccc(CNC(=O)C(F)(F)F)o3)nc3cc(C)ccc32)cc1 ZINC001361170099 1066485032 /nfs/dbraw/zinc/48/50/32/1066485032.db2.gz CWMFUTPNTDMHNK-UHFFFAOYSA-N 0 2 456.424 4.666 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C)c3nc(-c4ccc(Cl)cc4)no3)=N2)c1 ZINC001456271175 1066551735 /nfs/dbraw/zinc/55/17/35/1066551735.db2.gz QVAURCLRGBPYDR-CQSZACIVSA-N 0 2 451.914 4.896 20 0 JJADLN COc1cccc(-c2cc(C(=O)Nc3n[nH]c(C)c3-c3cccc(Br)c3)[nH]n2)c1 ZINC001445440692 1066571973 /nfs/dbraw/zinc/57/19/73/1066571973.db2.gz VJCGUGBYCKGVJX-UHFFFAOYSA-N 0 2 452.312 4.799 20 0 JJADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC001446227540 1066675779 /nfs/dbraw/zinc/67/57/79/1066675779.db2.gz GQMCCVOAIAPJKC-UHFFFAOYSA-N 0 2 455.294 4.891 20 0 JJADLN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C[C@@H]1[C@H]1CCCO1 ZINC001446235267 1066676437 /nfs/dbraw/zinc/67/64/37/1066676437.db2.gz XMRHUJSEFLBREM-JCURWCKSSA-N 0 2 459.370 4.832 20 0 JJADLN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(C)n1C1CCCCC1 ZINC001446289297 1066686190 /nfs/dbraw/zinc/68/61/90/1066686190.db2.gz WETCIHNZJHKCAA-UHFFFAOYSA-N 0 2 459.597 4.515 20 0 JJADLN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC001447111174 1066775021 /nfs/dbraw/zinc/77/50/21/1066775021.db2.gz UQIWOYMJHLIGQJ-UHFFFAOYSA-N 0 2 451.331 4.776 20 0 JJADLN COC(=O)C[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)c1ccc(C)cc1 ZINC001457477106 1066840249 /nfs/dbraw/zinc/84/02/49/1066840249.db2.gz NROWRWUKHLGWIL-XMMPIXPASA-N 0 2 456.498 4.663 20 0 JJADLN Cc1cc(C)c(NC(=O)CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c(C)c1 ZINC001457518545 1066849555 /nfs/dbraw/zinc/84/95/55/1066849555.db2.gz KICUMZBBUIRDCJ-UHFFFAOYSA-N 0 2 455.514 4.614 20 0 JJADLN CCOc1ccc(C[C@H](C)C(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1 ZINC001457524281 1066851434 /nfs/dbraw/zinc/85/14/34/1066851434.db2.gz FXGNYYRIKYYUGC-JTQLQIEISA-N 0 2 456.408 4.671 20 0 JJADLN C[C@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cn(C)c2ccccc12 ZINC001457527631 1066852279 /nfs/dbraw/zinc/85/22/79/1066852279.db2.gz UYWQGTFPIMKLLU-VIFPVBQESA-N 0 2 451.392 4.689 20 0 JJADLN COc1ccc(C(=O)C2CCN(C(=O)c3cc(Cl)cc(Br)c3O)CC2)cc1 ZINC001457537961 1066854389 /nfs/dbraw/zinc/85/43/89/1066854389.db2.gz UUCWMKDBDFBECT-UHFFFAOYSA-N 0 2 452.732 4.552 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)ccc1Cl ZINC001457603666 1066875861 /nfs/dbraw/zinc/87/58/61/1066875861.db2.gz SIXYPBVHOIPYSP-WBVHZDCISA-N 0 2 450.988 4.706 20 0 JJADLN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC001447973479 1066886360 /nfs/dbraw/zinc/88/63/60/1066886360.db2.gz YAOUXKICYKUIFR-UHFFFAOYSA-N 0 2 458.305 4.584 20 0 JJADLN O=C(Nc1cc(-c2ccccc2Br)no1)c1cc(Br)cc(F)c1O ZINC001457633156 1066887419 /nfs/dbraw/zinc/88/74/19/1066887419.db2.gz QCGWXFLQEMDJGG-UHFFFAOYSA-N 0 2 456.065 4.964 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccc(-c2ccccc2)nc1C ZINC001457785131 1066919437 /nfs/dbraw/zinc/91/94/37/1066919437.db2.gz IACBLPPOBLLXDQ-DEOSSOPVSA-N 0 2 454.574 4.910 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc(C)cc(Br)c1 ZINC001457791128 1066921686 /nfs/dbraw/zinc/92/16/86/1066921686.db2.gz SWONEPWRZPOMAK-HXUWFJFHSA-N 0 2 456.384 4.610 20 0 JJADLN COc1cccc2c1[C@H](C(=O)Nc1cc(S(=O)(=O)Nc3ccccc3)c(F)cc1C)CC2 ZINC001448623430 1066944924 /nfs/dbraw/zinc/94/49/24/1066944924.db2.gz RGXAEVLFQJRFHC-GOSISDBHSA-N 0 2 454.523 4.612 20 0 JJADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001457955139 1066948027 /nfs/dbraw/zinc/94/80/27/1066948027.db2.gz CBJWMGAFNSPVOT-HNNXBMFYSA-N 0 2 451.748 4.764 20 0 JJADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001448815277 1066959483 /nfs/dbraw/zinc/95/94/83/1066959483.db2.gz KQMQKWMOZNTLAU-UHFFFAOYSA-N 0 2 459.980 4.527 20 0 JJADLN COc1ccc(N2CC(=O)C(C(=O)NC3(c4cc(C(F)(F)F)ccc4Cl)CC3)=N2)cc1 ZINC001449026868 1066977865 /nfs/dbraw/zinc/97/78/65/1066977865.db2.gz LNGFUPIJGJXKTC-UHFFFAOYSA-N 0 2 451.832 4.678 20 0 JJADLN CC(=O)N(c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1)[C@@H]1C[C@@H]1C ZINC001450081704 1067049057 /nfs/dbraw/zinc/04/90/57/1067049057.db2.gz VWWCQDIDVPBEIS-SCLBCKFNSA-N 0 2 453.340 4.853 20 0 JJADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001545824456 1067168732 /nfs/dbraw/zinc/16/87/32/1067168732.db2.gz YUXOXBIJQTXJFR-OAHLLOKOSA-N 0 2 458.139 4.705 20 0 JJADLN Cc1ccccc1CCc1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)n[nH]1 ZINC001452631450 1067238939 /nfs/dbraw/zinc/23/89/39/1067238939.db2.gz IICAMPGBBGXFJZ-UHFFFAOYSA-N 0 2 450.340 4.908 20 0 JJADLN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001452911913 1067263937 /nfs/dbraw/zinc/26/39/37/1067263937.db2.gz CDTILCMFRJYREK-QFBILLFUSA-N 0 2 456.011 4.941 20 0 JJADLN O=C(N[C@H]1CN(C(=O)c2cc3c(cccc3F)s2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001461418365 1067851601 /nfs/dbraw/zinc/85/16/01/1067851601.db2.gz KJFGOTHJXYIHEQ-YOEHRIQHSA-N 0 2 468.447 4.856 20 0 JJADLN O=C(CCCCc1ccc(Cl)cc1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001461578295 1067892703 /nfs/dbraw/zinc/89/27/03/1067892703.db2.gz URXGWPGVDYJTOT-GJZGRUSLSA-N 0 2 458.830 4.653 20 0 JJADLN Cc1ccccc1-c1nc(CNCc2cc(Br)c(O)c(Br)c2)no1 ZINC001462128123 1068011527 /nfs/dbraw/zinc/01/15/27/1068011527.db2.gz PCFHXAXVNMDHTH-UHFFFAOYSA-N 0 2 453.134 4.565 20 0 JJADLN O=S(=O)(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972790 1068233936 /nfs/dbraw/zinc/23/39/36/1068233936.db2.gz TYDCVHASUWRRTM-HZMBPMFUSA-N 0 2 456.230 4.581 20 0 JJADLN CC1(C)CO[C@H](CC(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)C1 ZINC001463558623 1068441926 /nfs/dbraw/zinc/44/19/26/1068441926.db2.gz BDQPPLMNJBQJGM-OAHLLOKOSA-N 0 2 457.379 4.938 20 0 JJADLN CC(C)n1cc(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cn1 ZINC001463559260 1068442617 /nfs/dbraw/zinc/44/26/17/1068442617.db2.gz DPGBLVRSXGSPEB-UHFFFAOYSA-N 0 2 453.351 4.824 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc3sccc3c2)c1 ZINC001463835767 1068541962 /nfs/dbraw/zinc/54/19/62/1068541962.db2.gz KMQRGFKMZXHLNJ-UHFFFAOYSA-N 0 2 454.529 4.669 20 0 JJADLN CCOc1ccc(CCC2CCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CC2)cc1 ZINC001463860760 1068549605 /nfs/dbraw/zinc/54/96/05/1068549605.db2.gz WGIXPCNCLWMWNP-UHFFFAOYSA-N 0 2 451.542 4.909 20 0 JJADLN CCN(C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1cc(C)cc(C)c1 ZINC001464369321 1068721036 /nfs/dbraw/zinc/72/10/36/1068721036.db2.gz CYOKHSWWIRRBMR-UHFFFAOYSA-N 0 2 456.539 4.919 20 0 JJADLN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(Br)cc(F)c1O ZINC001464369099 1068721142 /nfs/dbraw/zinc/72/11/42/1068721142.db2.gz BYCMHYSTHCABRK-UHFFFAOYSA-N 0 2 450.283 4.528 20 0 JJADLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH]n1 ZINC001464433598 1068744062 /nfs/dbraw/zinc/74/40/62/1068744062.db2.gz SESRZWHYURTJSZ-UHFFFAOYSA-N 0 2 455.902 4.915 20 0 JJADLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n[nH]1 ZINC001464433598 1068744074 /nfs/dbraw/zinc/74/40/74/1068744074.db2.gz SESRZWHYURTJSZ-UHFFFAOYSA-N 0 2 455.902 4.915 20 0 JJADLN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001464566524 1068784147 /nfs/dbraw/zinc/78/41/47/1068784147.db2.gz UMKCRSISROXTLR-LJQANCHMSA-N 0 2 459.521 4.999 20 0 JJADLN COc1ccccc1C(C)(C)CNC(=O)c1cc(Br)cc(Br)c1O ZINC001464600816 1068795984 /nfs/dbraw/zinc/79/59/84/1068795984.db2.gz VNKBQJJNCHMORD-UHFFFAOYSA-N 0 2 457.162 4.633 20 0 JJADLN O=S(=O)(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cccc2cccnc21 ZINC000014225506 555734713 /nfs/dbraw/zinc/73/47/13/555734713.db2.gz FZFRVWTVYNGBHI-UHFFFAOYSA-N 0 2 480.386 4.918 20 0 JJADLN CC(C)Cc1cccc([C@@H](C)C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 ZINC001437701783 1065593264 /nfs/dbraw/zinc/59/32/64/1065593264.db2.gz GNCCWNBGYNLWDA-COXVUDFISA-N 0 2 452.439 4.589 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706720 1065594006 /nfs/dbraw/zinc/59/40/06/1065594006.db2.gz UHBPBHOSKCAEIX-FJIDUMEYSA-N 0 2 458.402 4.544 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707590 1065594587 /nfs/dbraw/zinc/59/45/87/1065594587.db2.gz YBKIREFDMXRCRP-MGHWNKPDSA-N 0 2 458.402 4.544 20 0 JJADLN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(-c2cccs2)n[nH]1 ZINC001440560787 1065949756 /nfs/dbraw/zinc/94/97/56/1065949756.db2.gz BTQUZQMRJCUDOD-UHFFFAOYSA-N 0 2 458.952 4.845 20 0 JJADLN O=C(c1s[n-]c(=O)c1Cl)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001440652099 1065959136 /nfs/dbraw/zinc/95/91/36/1065959136.db2.gz PNAAYHKRZIGWCX-UHFFFAOYSA-N 0 2 454.404 4.842 20 0 JJADLN COc1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)ccc1F ZINC001441185000 1066012562 /nfs/dbraw/zinc/01/25/62/1066012562.db2.gz DMLIHNQMXSLPJK-UHFFFAOYSA-N 0 2 452.866 4.680 20 0 JJADLN CCCc1ncc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)s1 ZINC001441188643 1066013458 /nfs/dbraw/zinc/01/34/58/1066013458.db2.gz OUOBRXXEWJKPJJ-UHFFFAOYSA-N 0 2 453.948 4.941 20 0 JJADLN C[C@H]1Cc2ccccc2N(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 ZINC001443549032 1066328092 /nfs/dbraw/zinc/32/80/92/1066328092.db2.gz MYMFIGZTDZTRNY-HNNXBMFYSA-N 0 2 456.951 4.685 20 0 JJADLN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1[nH]nc(-c2ccccc2)c1Br ZINC001443576203 1066330718 /nfs/dbraw/zinc/33/07/18/1066330718.db2.gz AHTXIUIRLHYCLT-UHFFFAOYSA-N 0 2 458.316 4.673 20 0 JJADLN C[C@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC001455176997 1066367830 /nfs/dbraw/zinc/36/78/30/1066367830.db2.gz KSUSCPGEEJWEIZ-DIFFPNOSSA-N 0 2 452.363 4.862 20 0 JJADLN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(Cl)c3Cl)cc2)s1 ZINC001455934244 1066454321 /nfs/dbraw/zinc/45/43/21/1066454321.db2.gz PVOLKMMTBHMRRT-UHFFFAOYSA-N 0 2 457.364 4.515 20 0 JJADLN Cc1cc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1C(C)C ZINC001445077496 1066536265 /nfs/dbraw/zinc/53/62/65/1066536265.db2.gz DZWYBZFFDMVWTB-MRXNPFEDSA-N 0 2 459.593 4.782 20 0 JJADLN Cc1ccccc1-c1cnc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC001445076689 1066536467 /nfs/dbraw/zinc/53/64/67/1066536467.db2.gz UCELBLJGARSKFM-UHFFFAOYSA-N 0 2 456.574 4.628 20 0 JJADLN CCN(C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001457189939 1066782790 /nfs/dbraw/zinc/78/27/90/1066782790.db2.gz ZGEUYQMCJACNTN-UHFFFAOYSA-N 0 2 456.587 4.563 20 0 JJADLN CCc1ccccc1N1CC(=O)C(C(=O)NCC(CC)(CC)c2ccc(OC)c(OC)c2)=N1 ZINC001447358762 1066798068 /nfs/dbraw/zinc/79/80/68/1066798068.db2.gz MMFUUTVYHJVJMQ-UHFFFAOYSA-N 0 2 451.567 4.645 20 0 JJADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Nc2ccccc2)c1 ZINC001457522110 1066850982 /nfs/dbraw/zinc/85/09/82/1066850982.db2.gz UJNJLQARVGVEBN-UHFFFAOYSA-N 0 2 450.545 4.940 20 0 JJADLN Cc1c(C(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)sc2nccc(C)c12 ZINC001457523322 1066851801 /nfs/dbraw/zinc/85/18/01/1066851801.db2.gz CQPHJBRBRVOJOA-UHFFFAOYSA-N 0 2 455.405 4.934 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2CCC(C)CC2)ccc1Cl ZINC001457577491 1066869741 /nfs/dbraw/zinc/86/97/41/1066869741.db2.gz OYOGWILMTYUYAP-UHFFFAOYSA-N 0 2 450.988 4.706 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2C)ccc1Cl ZINC001457603661 1066875848 /nfs/dbraw/zinc/87/58/48/1066875848.db2.gz SIXYPBVHOIPYSP-NVXWUHKLSA-N 0 2 450.988 4.706 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC001457788634 1066920587 /nfs/dbraw/zinc/92/05/87/1066920587.db2.gz MYIGKVBBWIPZFR-PGRDOPGGSA-N 0 2 455.599 4.793 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001457794490 1066922804 /nfs/dbraw/zinc/92/28/04/1066922804.db2.gz ZYXBQNYERMVAOR-DEOSSOPVSA-N 0 2 456.546 4.727 20 0 JJADLN COCCCn1c(=O)c2ccc(C(=O)N3C[C@H](C(C)(C)C)c4ccccc43)cc2[nH]c1=S ZINC001448665786 1066947368 /nfs/dbraw/zinc/94/73/68/1066947368.db2.gz BOTWNDQGAFDZKX-IBGZPJMESA-N 0 2 451.592 4.512 20 0 JJADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cc(-n3cccn3)ccc2C)cc1 ZINC001449048613 1066979394 /nfs/dbraw/zinc/97/93/94/1066979394.db2.gz QPIKKYGNZKVOMN-UHFFFAOYSA-N 0 2 452.561 4.604 20 0 JJADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC001450021513 1067041812 /nfs/dbraw/zinc/04/18/12/1067041812.db2.gz CUNMUBOXCCHSPK-UHFFFAOYSA-N 0 2 456.877 4.726 20 0 JJADLN Cc1cc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)ccc1-c1ccccc1 ZINC001450715758 1067109510 /nfs/dbraw/zinc/10/95/10/1067109510.db2.gz PHMMJQLOMDTVHC-UHFFFAOYSA-N 0 2 452.561 4.510 20 0 JJADLN CC[C@H](c1nnc(SCC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)o1)c1ccccc1 ZINC001458936215 1067202472 /nfs/dbraw/zinc/20/24/72/1067202472.db2.gz PCYPQHXVNFBOCV-HNNXBMFYSA-N 0 2 455.502 4.654 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)=N2)c1 ZINC001452996256 1067272058 /nfs/dbraw/zinc/27/20/58/1067272058.db2.gz ATVBJQLIDNQDFU-UHFFFAOYSA-N 0 2 459.377 4.971 20 0 JJADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)cc1 ZINC001453006313 1067274456 /nfs/dbraw/zinc/27/44/56/1067274456.db2.gz INZCLQXIIFZBCR-HXUWFJFHSA-N 0 2 456.589 4.869 20 0 JJADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)cc1 ZINC001453006298 1067274524 /nfs/dbraw/zinc/27/45/24/1067274524.db2.gz INZCLQXIIFZBCR-FQEVSTJZSA-N 0 2 456.589 4.869 20 0 JJADLN CSc1ccc(Cl)c(NC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)c1 ZINC001453318513 1067296879 /nfs/dbraw/zinc/29/68/79/1067296879.db2.gz IEYSRDRZCWJUOP-UHFFFAOYSA-N 0 2 457.964 4.954 20 0 JJADLN COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)cc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460359592 1067617910 /nfs/dbraw/zinc/61/79/10/1067617910.db2.gz GPEQMJLSHFRMHK-GFJSAUFNSA-N 0 2 460.418 4.710 20 0 JJADLN COc1ccc([C@@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460359592 1067617917 /nfs/dbraw/zinc/61/79/17/1067617917.db2.gz GPEQMJLSHFRMHK-GFJSAUFNSA-N 0 2 460.418 4.710 20 0 JJADLN O=C(Nc1nsc(Cc2ccc(F)cc2)n1)c1cc(-c2cccc(Br)c2)no1 ZINC001461015273 1067762363 /nfs/dbraw/zinc/76/23/63/1067762363.db2.gz FAFOHBMOYULKBF-UHFFFAOYSA-N 0 2 459.300 4.938 20 0 JJADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cc(Br)ccc2Cl)c1 ZINC001461491290 1067874478 /nfs/dbraw/zinc/87/44/78/1067874478.db2.gz NMSGYWUVTWJVQO-UHFFFAOYSA-N 0 2 458.790 4.972 20 0 JJADLN O=C([N-][C@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001462415788 1068069789 /nfs/dbraw/zinc/06/97/89/1068069789.db2.gz XWDAPJGEGSYRGJ-RDJZCZTQSA-N 0 2 477.271 4.764 20 0 JJADLN O=C([N-][C@H]1C[N@H+](Cc2cccc(F)c2Br)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001462415788 1068069805 /nfs/dbraw/zinc/06/98/05/1068069805.db2.gz XWDAPJGEGSYRGJ-RDJZCZTQSA-N 0 2 477.271 4.764 20 0 JJADLN O=C1CCC[C@@H](c2cccc(NCc3cc(Br)c(O)c(Br)c3)c2)N1 ZINC001462589042 1068105737 /nfs/dbraw/zinc/10/57/37/1068105737.db2.gz LEFJNWYBBOVKBP-INIZCTEOSA-N 0 2 454.162 4.871 20 0 JJADLN Cc1ccc(C)c(Sc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3O)cc2)c1 ZINC001463590793 1068458948 /nfs/dbraw/zinc/45/89/48/1068458948.db2.gz VJQVAJRIFYNRSE-UHFFFAOYSA-N 0 2 456.589 4.663 20 0 JJADLN C[C@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)C1 ZINC001464086213 1068609636 /nfs/dbraw/zinc/60/96/36/1068609636.db2.gz CPQSKEVVBFFICT-HOCLYGCPSA-N 0 2 454.951 4.814 20 0 JJADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001464086215 1068609657 /nfs/dbraw/zinc/60/96/57/1068609657.db2.gz CQHURVMXRNRWTA-BNOWGMLFSA-N 0 2 458.889 4.900 20 0 JJADLN C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)C1 ZINC001464086214 1068609725 /nfs/dbraw/zinc/60/97/25/1068609725.db2.gz CPQSKEVVBFFICT-ZBFHGGJFSA-N 0 2 454.951 4.814 20 0 JJADLN O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cc(Br)c(F)cc1O ZINC001464553603 1068780188 /nfs/dbraw/zinc/78/01/88/1068780188.db2.gz DTZRKQKPUCNIFR-UHFFFAOYSA-N 0 2 455.283 4.749 20 0 JJADLN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001464595672 1068794274 /nfs/dbraw/zinc/79/42/74/1068794274.db2.gz CBCYPHDIFIJJGV-FQEVSTJZSA-N 0 2 459.568 4.744 20 0 JJADLN Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC001464636153 1068806058 /nfs/dbraw/zinc/80/60/58/1068806058.db2.gz KCFKODOGKXSWSP-UHFFFAOYSA-N 0 2 455.341 4.622 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707599 1065594548 /nfs/dbraw/zinc/59/45/48/1065594548.db2.gz YBKIREFDMXRCRP-RUGDWHBFSA-N 0 2 458.402 4.544 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707585 1065594752 /nfs/dbraw/zinc/59/47/52/1065594752.db2.gz YBKIREFDMXRCRP-LIRZEXBASA-N 0 2 458.402 4.544 20 0 JJADLN COCC1(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCCC1 ZINC001440368356 1065932886 /nfs/dbraw/zinc/93/28/86/1065932886.db2.gz FRZWOYRVUVYXRI-UHFFFAOYSA-N 0 2 457.379 4.940 20 0 JJADLN Cc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cnc1F ZINC001440378255 1065934720 /nfs/dbraw/zinc/93/47/20/1065934720.db2.gz OPHGHFMKWAWLNH-UHFFFAOYSA-N 0 2 454.310 4.889 20 0 JJADLN CCOc1cc(NC(=O)c2cc(F)cc(F)c2O)c(OCC)cc1NC(=O)c1ccccc1 ZINC001440956360 1065996723 /nfs/dbraw/zinc/99/67/23/1065996723.db2.gz VKSRPNBMLPLLEJ-UHFFFAOYSA-N 0 2 456.445 4.972 20 0 JJADLN CNc1ccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cc1F ZINC001441186636 1066013000 /nfs/dbraw/zinc/01/30/00/1066013000.db2.gz JLXAZOHZCJLWCW-UHFFFAOYSA-N 0 2 451.882 4.713 20 0 JJADLN COC[C@H](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)c1cccc(Br)c1 ZINC001455005397 1066351742 /nfs/dbraw/zinc/35/17/42/1066351742.db2.gz KXEZSENDKAUELK-IBGZPJMESA-N 0 2 458.356 4.581 20 0 JJADLN CCn1c(=O)c2ccc(C(=O)N(CCc3ccccc3)c3ccc(OC)cc3)cc2[nH]c1=S ZINC001444319592 1066447885 /nfs/dbraw/zinc/44/78/85/1066447885.db2.gz FJFPHTIQCCQTCZ-UHFFFAOYSA-N 0 2 459.571 4.603 20 0 JJADLN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)s1 ZINC001455935912 1066455272 /nfs/dbraw/zinc/45/52/72/1066455272.db2.gz YDECLAOURVDGRW-VGOFMYFVSA-N 0 2 456.593 4.597 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)=N2)c1 ZINC001444928821 1066518774 /nfs/dbraw/zinc/51/87/74/1066518774.db2.gz CQVNHEPTDWAYGZ-HXUWFJFHSA-N 0 2 458.603 4.713 20 0 JJADLN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(C(F)(F)F)cc1 ZINC001445076069 1066536170 /nfs/dbraw/zinc/53/61/70/1066536170.db2.gz CJNNJVUPVKGHHZ-GFCCVEGCSA-N 0 2 455.483 4.705 20 0 JJADLN O=C(c1cc(Br)cc(F)c1O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001456529491 1066614340 /nfs/dbraw/zinc/61/43/40/1066614340.db2.gz KFTIBNLXIFHUAF-AWEZNQCLSA-N 0 2 457.137 4.904 20 0 JJADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC001446232820 1066675770 /nfs/dbraw/zinc/67/57/70/1066675770.db2.gz PLIDSFKVSWSIBB-UHFFFAOYSA-N 0 2 455.294 4.891 20 0 JJADLN CCn1c(SCC(=O)NOCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC001447552488 1066821039 /nfs/dbraw/zinc/82/10/39/1066821039.db2.gz CTZISDIKADZPOO-UHFFFAOYSA-N 0 2 455.342 4.751 20 0 JJADLN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)cc1 ZINC001457517147 1066848841 /nfs/dbraw/zinc/84/88/41/1066848841.db2.gz HTAFTYLBWAUPRH-DEOSSOPVSA-N 0 2 450.966 4.824 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C)ccc1Cl ZINC001457603664 1066875945 /nfs/dbraw/zinc/87/59/45/1066875945.db2.gz SIXYPBVHOIPYSP-RDJZCZTQSA-N 0 2 450.988 4.706 20 0 JJADLN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC001457731148 1066906029 /nfs/dbraw/zinc/90/60/29/1066906029.db2.gz KXKUPYNOORCKFM-QUGAMOGWSA-N 0 2 458.514 4.835 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)CCc1ccc(OC)c(Cl)c1 ZINC001457790768 1066921864 /nfs/dbraw/zinc/92/18/64/1066921864.db2.gz ZJQVAVPTRPLOKL-FQEVSTJZSA-N 0 2 455.986 4.521 20 0 JJADLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC001457822244 1066928539 /nfs/dbraw/zinc/92/85/39/1066928539.db2.gz QHZHLCRMTLGEFO-UHFFFAOYSA-N 0 2 458.892 4.865 20 0 JJADLN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Br)c1O)C2 ZINC001457925161 1066942241 /nfs/dbraw/zinc/94/22/41/1066942241.db2.gz CVTYSIOWCCVRAJ-YUNKPMOVSA-N 0 2 473.795 4.575 20 0 JJADLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)C3CCC(C)CC3)cc2)s1 ZINC001448944486 1066972801 /nfs/dbraw/zinc/97/28/01/1066972801.db2.gz UVIREDKMKHYXCO-JMLCCBQJSA-N 0 2 450.630 4.692 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCc4c(F)ccc(Br)c4C3)=N2)c1 ZINC001450489867 1067085372 /nfs/dbraw/zinc/08/53/72/1067085372.db2.gz UYOKIHRILWUVCN-UHFFFAOYSA-N 0 2 458.331 4.801 20 0 JJADLN O=C(N[C@H]1CN(C(=O)c2nc3ccccc3cc2Cl)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453129213 1067281971 /nfs/dbraw/zinc/28/19/71/1067281971.db2.gz MSJQIZWDVCPPQN-LPHOPBHVSA-N 0 2 479.861 4.704 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(Cc3nc(C(C)(C)C)cs3)CC2)=N1 ZINC001453264806 1067292414 /nfs/dbraw/zinc/29/24/14/1067292414.db2.gz UMGAFCIEQHEFRW-UHFFFAOYSA-N 0 2 456.587 4.874 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)=N1 ZINC001453767887 1067328048 /nfs/dbraw/zinc/32/80/48/1067328048.db2.gz IHLMBHWYDRFNQC-GOSISDBHSA-N 0 2 458.331 4.985 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)=N1 ZINC001453767888 1067328213 /nfs/dbraw/zinc/32/82/13/1067328213.db2.gz IHLMBHWYDRFNQC-SFHVURJKSA-N 0 2 458.331 4.985 20 0 JJADLN COc1ccc([C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358852 1067617272 /nfs/dbraw/zinc/61/72/72/1067617272.db2.gz FGNTYVGFRQFORO-YJBOKZPZSA-N 0 2 462.846 4.663 20 0 JJADLN COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358852 1067617280 /nfs/dbraw/zinc/61/72/80/1067617280.db2.gz FGNTYVGFRQFORO-YJBOKZPZSA-N 0 2 462.846 4.663 20 0 JJADLN COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3c(F)cccc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358914 1067617773 /nfs/dbraw/zinc/61/77/73/1067617773.db2.gz FGTGLVNGXNVMGJ-YEWDVWPNSA-N 0 2 460.418 4.710 20 0 JJADLN COc1ccc([C@@H]2CC[N@H+]([C@@H](C)c3c(F)cccc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358914 1067617777 /nfs/dbraw/zinc/61/77/77/1067617777.db2.gz FGTGLVNGXNVMGJ-YEWDVWPNSA-N 0 2 460.418 4.710 20 0 JJADLN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863003 1067949760 /nfs/dbraw/zinc/94/97/60/1067949760.db2.gz AFAIKXWHMPKGLU-NHCUHLMSSA-N 0 2 454.615 4.618 20 0 JJADLN O=C(Nc1ccccc1)c1ccc(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)cc1 ZINC001462011915 1067979994 /nfs/dbraw/zinc/97/99/94/1067979994.db2.gz UGSZPTYGYQOIMR-UHFFFAOYSA-N 0 2 459.399 4.509 20 0 JJADLN Cc1cc(Br)c(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1Br ZINC001462385532 1068063978 /nfs/dbraw/zinc/06/39/78/1068063978.db2.gz XZQWJMOEOGOFFD-HZMBPMFUSA-N 0 2 472.143 4.551 20 0 JJADLN COc1cc(-c2ccccc2)ccc1CN1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001462595770 1068108248 /nfs/dbraw/zinc/10/82/48/1068108248.db2.gz VZFFOWWWJOINRH-HKUYNNGSSA-N 0 2 460.418 4.936 20 0 JJADLN C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)C1 ZINC001464086212 1068609694 /nfs/dbraw/zinc/60/96/94/1068609694.db2.gz CPQSKEVVBFFICT-GOEBONIOSA-N 0 2 454.951 4.814 20 0 JJADLN O=C(Cc1ccc(F)cc1F)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC001464089176 1068610872 /nfs/dbraw/zinc/61/08/72/1068610872.db2.gz SBNRDKBDGAPZTI-UHFFFAOYSA-N 0 2 454.857 4.739 20 0 JJADLN CCOc1cc(Br)c(NC(=O)c2cccc(Br)c2O)cc1OCC ZINC001464441642 1068747218 /nfs/dbraw/zinc/74/72/18/1068747218.db2.gz DTPDZQBCCKVXCQ-UHFFFAOYSA-N 0 2 459.134 4.967 20 0 JJADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC001464447782 1068749562 /nfs/dbraw/zinc/74/95/62/1068749562.db2.gz DLZQEOARQJKJOX-HNNXBMFYSA-N 0 2 455.561 4.913 20 0 JJADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(Oc2ccccc2)ccc1O ZINC001464634490 1068805527 /nfs/dbraw/zinc/80/55/27/1068805527.db2.gz DCOKZBNXAPJYEW-UHFFFAOYSA-N 0 2 451.280 4.984 20 0 JJADLN CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)C(=O)c1cccc(Cl)c1O ZINC001435915138 1065061365 /nfs/dbraw/zinc/06/13/65/1065061365.db2.gz XUYKNUAOHOHFHG-CQSZACIVSA-N 0 2 454.748 4.638 20 0 JJADLN CC(C)SCCn1c(-c2ccccc2F)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001360418328 1065283402 /nfs/dbraw/zinc/28/34/02/1065283402.db2.gz QUWBMBHKZFYLPD-UHFFFAOYSA-N 0 2 458.588 4.573 20 0 JJADLN O=C(NCC1(c2cccc(Br)c2)CCCC1)C1=NN(c2ccc(F)cc2)CC1=O ZINC001545905034 1065511340 /nfs/dbraw/zinc/51/13/40/1065511340.db2.gz NRFNIYXPTXRGKK-UHFFFAOYSA-N 0 2 458.331 4.721 20 0 JJADLN O=C(COc1ccsc1)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001440371996 1065933629 /nfs/dbraw/zinc/93/36/29/1065933629.db2.gz IDJMEBRVDHUNRO-UHFFFAOYSA-N 0 2 457.360 4.873 20 0 JJADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001440384255 1065936141 /nfs/dbraw/zinc/93/61/41/1065936141.db2.gz VRZMXKBJJCTNPU-DLBZAZTESA-N 0 2 469.390 4.795 20 0 JJADLN Cc1sc2ncn(NC(=O)c3nc(-c4cccc(C(F)(F)F)c4)cs3)c(=O)c2c1C ZINC001440658287 1065959483 /nfs/dbraw/zinc/95/94/83/1065959483.db2.gz MNROCSDSIFSEHN-UHFFFAOYSA-N 0 2 450.467 4.601 20 0 JJADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1O ZINC001440741969 1065974565 /nfs/dbraw/zinc/97/45/65/1065974565.db2.gz ZWUWUQBLUFOOGR-UHFFFAOYSA-N 0 2 454.401 4.603 20 0 JJADLN C[C@H](C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CCC1 ZINC001441413330 1066038825 /nfs/dbraw/zinc/03/88/25/1066038825.db2.gz MSJIIUOLWMVJIF-LBPRGKRZSA-N 0 2 455.349 4.764 20 0 JJADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ccc(Br)cc3)C3CCC3)=N2)cc1 ZINC001441953758 1066082571 /nfs/dbraw/zinc/08/25/71/1066082571.db2.gz BPBSGVWHCPYOBG-HXUWFJFHSA-N 0 2 456.340 4.620 20 0 JJADLN C[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001442748533 1066156859 /nfs/dbraw/zinc/15/68/59/1066156859.db2.gz MBRPLKOMNCCPID-RDJZCZTQSA-N 0 2 456.011 4.943 20 0 JJADLN C[C@@H]1Cc2ccccc2N(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 ZINC001443549041 1066328740 /nfs/dbraw/zinc/32/87/40/1066328740.db2.gz MYMFIGZTDZTRNY-OAHLLOKOSA-N 0 2 456.951 4.685 20 0 JJADLN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC001443790682 1066368984 /nfs/dbraw/zinc/36/89/84/1066368984.db2.gz SLFSTMMPRWBEDF-UHFFFAOYSA-N 0 2 454.958 4.846 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)=N2)c1 ZINC001444928819 1066518875 /nfs/dbraw/zinc/51/88/75/1066518875.db2.gz CQVNHEPTDWAYGZ-FQEVSTJZSA-N 0 2 458.603 4.713 20 0 JJADLN CCSc1cc(Cl)ccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001445079992 1066536702 /nfs/dbraw/zinc/53/67/02/1066536702.db2.gz LSCUQKPVCKSDAI-UHFFFAOYSA-N 0 2 453.998 4.962 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3noc(-c4ccc(Cl)cc4)n3)=N2)cc1 ZINC001445436202 1066571035 /nfs/dbraw/zinc/57/10/35/1066571035.db2.gz ACBSRMCRAGEHBE-CQSZACIVSA-N 0 2 451.914 4.896 20 0 JJADLN O=C(c1cc(Br)cc(F)c1O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001445964871 1066640364 /nfs/dbraw/zinc/64/03/64/1066640364.db2.gz BWAMBSWRROGUET-UHFFFAOYSA-N 0 2 451.119 4.625 20 0 JJADLN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C[C@@H]1[C@@H]1CCCO1 ZINC001446235269 1066676477 /nfs/dbraw/zinc/67/64/77/1066676477.db2.gz XMRHUJSEFLBREM-VUCTXSBTSA-N 0 2 459.370 4.832 20 0 JJADLN CCC(=O)c1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)c1 ZINC001446365031 1066696957 /nfs/dbraw/zinc/69/69/57/1066696957.db2.gz MJUDXQLODPULME-UHFFFAOYSA-N 0 2 457.555 4.773 20 0 JJADLN CCOc1ccc([C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2cccc(Cl)c2)cc1 ZINC001446514564 1066712735 /nfs/dbraw/zinc/71/27/35/1066712735.db2.gz HNYPHYZFNQCDPS-OALUTQOASA-N 0 2 456.892 4.647 20 0 JJADLN COC[C@@H](NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)c1ccco1 ZINC001457210102 1066791294 /nfs/dbraw/zinc/79/12/94/1066791294.db2.gz UJQQIFUHOKPJBR-LLVKDONJSA-N 0 2 458.177 4.536 20 0 JJADLN COC(=O)C[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)c1ccc(C)cc1 ZINC001457477105 1066839622 /nfs/dbraw/zinc/83/96/22/1066839622.db2.gz NROWRWUKHLGWIL-DEOSSOPVSA-N 0 2 456.498 4.663 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CCC(C)(C)CC2)ccc1Cl ZINC001457668813 1066893938 /nfs/dbraw/zinc/89/39/38/1066893938.db2.gz GSVDXHHVICMCHS-UHFFFAOYSA-N 0 2 450.988 4.848 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457785810 1066919316 /nfs/dbraw/zinc/91/93/16/1066919316.db2.gz CVSICJZSAXAXNT-GOSISDBHSA-N 0 2 450.564 4.564 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1sc2ncccc2c1Cl ZINC001457791096 1066921658 /nfs/dbraw/zinc/92/16/58/1066921658.db2.gz SWAMWLBLJPUTPB-INIZCTEOSA-N 0 2 454.983 4.803 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc2c(ccnc2Cl)s1 ZINC001457792333 1066922166 /nfs/dbraw/zinc/92/21/66/1066922166.db2.gz VGLCTCTXDBEAQF-INIZCTEOSA-N 0 2 454.983 4.803 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC001448617069 1066942429 /nfs/dbraw/zinc/94/24/29/1066942429.db2.gz BCTNLLXCRVOCNM-UHFFFAOYSA-N 0 2 456.392 4.744 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)CSCc1cccs1 ZINC001448619890 1066943254 /nfs/dbraw/zinc/94/32/54/1066943254.db2.gz KUUPFWFHDRNDCL-UHFFFAOYSA-N 0 2 450.582 4.868 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1c[nH]c(-c2ccccc2)n1 ZINC001448619797 1066943516 /nfs/dbraw/zinc/94/35/16/1066943516.db2.gz JJYJJCUZDNWUGY-UHFFFAOYSA-N 0 2 450.495 4.577 20 0 JJADLN C[C@H]1C[C@H](CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)CC(C)(C)C1 ZINC001448715648 1066952754 /nfs/dbraw/zinc/95/27/54/1066952754.db2.gz AIEFURFHDFMKCF-IRXDYDNUSA-N 0 2 453.608 4.909 20 0 JJADLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3csc4cc(C)ccc34)cc2)s1 ZINC001448937397 1066972375 /nfs/dbraw/zinc/97/23/75/1066972375.db2.gz MCCRWHGXSHRBSD-UHFFFAOYSA-N 0 2 458.590 4.677 20 0 JJADLN O=C(Nc1ccccc1CCC(F)(F)F)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001545727205 1066984272 /nfs/dbraw/zinc/98/42/72/1066984272.db2.gz IKKOXGJVBMXUCN-UHFFFAOYSA-N 0 2 455.483 4.691 20 0 JJADLN CN(Cc1ccc(NC(=O)c2cc(Br)c(F)cc2O)cc1)C(=O)OC(C)(C)C ZINC001449900322 1067035153 /nfs/dbraw/zinc/03/51/53/1067035153.db2.gz MEYCGXWXKFTRDE-UHFFFAOYSA-N 0 2 453.308 4.913 20 0 JJADLN CC(=O)N(c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1)[C@@H]1C[C@H]1C ZINC001450081702 1067048598 /nfs/dbraw/zinc/04/85/98/1067048598.db2.gz VWWCQDIDVPBEIS-FZKQIMNGSA-N 0 2 453.340 4.853 20 0 JJADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)N(C)c3ccccc3C(C)C)c2)cc1 ZINC001450750080 1067116186 /nfs/dbraw/zinc/11/61/86/1067116186.db2.gz VETWJSMVRVOOLR-UHFFFAOYSA-N 0 2 454.548 4.602 20 0 JJADLN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(F)c(F)c3O)c2)c1 ZINC001450994619 1067138648 /nfs/dbraw/zinc/13/86/48/1067138648.db2.gz CVVPJBFKVXALNX-UHFFFAOYSA-N 0 2 452.866 4.685 20 0 JJADLN CCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@@H](C)Cc3ccccc3)cc2[nH]c1=S ZINC001453815776 1067330685 /nfs/dbraw/zinc/33/06/85/1067330685.db2.gz FHXMRYDMGCZLCT-IBGZPJMESA-N 0 2 457.599 4.979 20 0 JJADLN C[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H](NC(=O)C(F)(F)F)CC[C@H]4C(F)(F)F)cc3c2C1 ZINC001461185997 1067795035 /nfs/dbraw/zinc/79/50/35/1067795035.db2.gz WKVLTHVTVZIISV-SRBZOADZSA-N 0 2 475.433 4.507 20 0 JJADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccc(Cl)c(Br)c2)c1 ZINC001461492489 1067875014 /nfs/dbraw/zinc/87/50/14/1067875014.db2.gz UVNLIZCBQVAKBA-UHFFFAOYSA-N 0 2 458.790 4.972 20 0 JJADLN C[C@H](CNc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(Br)c1 ZINC001462209121 1068029486 /nfs/dbraw/zinc/02/94/86/1068029486.db2.gz GJFKXAFCYWYURN-CYBMUJFWSA-N 0 2 452.399 4.922 20 0 JJADLN CCOc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc(Cl)c1O ZINC001462414270 1068069975 /nfs/dbraw/zinc/06/99/75/1068069975.db2.gz OXQLRWLVTUQKMA-WMZOPIPTSA-N 0 2 474.882 4.620 20 0 JJADLN CCOc1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc(Cl)c1O ZINC001462414270 1068069989 /nfs/dbraw/zinc/06/99/89/1068069989.db2.gz OXQLRWLVTUQKMA-WMZOPIPTSA-N 0 2 474.882 4.620 20 0 JJADLN O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972802 1068233958 /nfs/dbraw/zinc/23/39/58/1068233958.db2.gz TYDCVHASUWRRTM-YGRLFVJLSA-N 0 2 456.230 4.581 20 0 JJADLN O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972795 1068234091 /nfs/dbraw/zinc/23/40/91/1068234091.db2.gz TYDCVHASUWRRTM-IINYFYTJSA-N 0 2 456.230 4.581 20 0 JJADLN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558540 1068441690 /nfs/dbraw/zinc/44/16/90/1068441690.db2.gz AIUZXTFHASBQIO-JWXAPSBJSA-N 0 2 457.379 4.792 20 0 JJADLN O=C(NCc1ccc(Sc2ccc(F)cc2)cc1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001435670948 1064924374 /nfs/dbraw/zinc/92/43/74/1064924374.db2.gz JSCMHWCWASZZQC-UHFFFAOYSA-N 0 2 452.429 4.678 20 0 JJADLN CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)C(=O)c1cccc(Cl)c1O ZINC001435915137 1065061516 /nfs/dbraw/zinc/06/15/16/1065061516.db2.gz XUYKNUAOHOHFHG-AWEZNQCLSA-N 0 2 454.748 4.638 20 0 JJADLN CC(C)c1ccc(SCC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437707547 1065594633 /nfs/dbraw/zinc/59/46/33/1065594633.db2.gz XCZKERBLIOTYIT-ZFWWWQNUSA-N 0 2 456.452 4.503 20 0 JJADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3ccc(Br)cc3)C3CCC3)=N2)cc1 ZINC001441953757 1066082771 /nfs/dbraw/zinc/08/27/71/1066082771.db2.gz BPBSGVWHCPYOBG-FQEVSTJZSA-N 0 2 456.340 4.620 20 0 JJADLN CCC(CC)c1nnc(NC(=O)c2sccc2S(=O)(=O)NC2CCCCCC2)s1 ZINC001442056485 1066088331 /nfs/dbraw/zinc/08/83/31/1066088331.db2.gz CKIDMRHTRMPZMK-UHFFFAOYSA-N 0 2 456.659 4.757 20 0 JJADLN Cn1ccc2c1cccc2NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC001442962608 1066246970 /nfs/dbraw/zinc/24/69/70/1066246970.db2.gz ULEHJAJHXPBDJE-UHFFFAOYSA-N 0 2 455.923 4.590 20 0 JJADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccccc3Cl)C(C)C)cc2[nH]c1=S ZINC001444021597 1066395330 /nfs/dbraw/zinc/39/53/30/1066395330.db2.gz VPXHLCYPIJLVHK-HXUWFJFHSA-N 0 2 459.999 4.502 20 0 JJADLN CC(C)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c2ccccc21 ZINC001445084665 1066538064 /nfs/dbraw/zinc/53/80/64/1066538064.db2.gz UWWCSPWPKARUJO-UHFFFAOYSA-N 0 2 454.577 4.807 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3noc(-c4ccc(Cl)cc4)n3)=N2)cc1 ZINC001445436188 1066571067 /nfs/dbraw/zinc/57/10/67/1066571067.db2.gz ACBSRMCRAGEHBE-AWEZNQCLSA-N 0 2 451.914 4.896 20 0 JJADLN O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cccc(-c2cscn2)c1 ZINC001457525731 1066851643 /nfs/dbraw/zinc/85/16/43/1066851643.db2.gz MUSHAZGAYXSWLH-UHFFFAOYSA-N 0 2 453.389 4.831 20 0 JJADLN C[C@@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1cn(C)c2ccccc12 ZINC001457527620 1066852251 /nfs/dbraw/zinc/85/22/51/1066852251.db2.gz UYWQGTFPIMKLLU-SECBINFHSA-N 0 2 451.392 4.689 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[C@H](CC(C)C)C2)ccc1Cl ZINC001457686657 1066897771 /nfs/dbraw/zinc/89/77/71/1066897771.db2.gz YUTDZDPDPIQHTM-MRXNPFEDSA-N 0 2 450.988 4.658 20 0 JJADLN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(Br)c(O)c1 ZINC001457709064 1066901229 /nfs/dbraw/zinc/90/12/29/1066901229.db2.gz MKDFWIIADGFZQA-UHFFFAOYSA-N 0 2 450.161 4.937 20 0 JJADLN CCc1onc(-c2ccccc2)c1C(=O)NCC[C@H]1C(=O)N(Cc2ccccc2C)N=C1CC ZINC001457789648 1066921358 /nfs/dbraw/zinc/92/13/58/1066921358.db2.gz OTXMDJXOVFBHPG-OAQYLSRUSA-N 0 2 458.562 4.757 20 0 JJADLN O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001457941227 1066944246 /nfs/dbraw/zinc/94/42/46/1066944246.db2.gz PZFBOZOUHAMDFU-UHFFFAOYSA-N 0 2 456.951 4.500 20 0 JJADLN COc1cccc2c1[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc3ccccc3)c(F)cc1C)CC2 ZINC001448623433 1066944874 /nfs/dbraw/zinc/94/48/74/1066944874.db2.gz RGXAEVLFQJRFHC-SFHVURJKSA-N 0 2 454.523 4.612 20 0 JJADLN C[C@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)CC(C)(C)C1 ZINC001448715640 1066952585 /nfs/dbraw/zinc/95/25/85/1066952585.db2.gz AIEFURFHDFMKCF-DLBZAZTESA-N 0 2 453.608 4.909 20 0 JJADLN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC001450218126 1067060775 /nfs/dbraw/zinc/06/07/75/1067060775.db2.gz NRVLZZXQDQQDAT-UHFFFAOYSA-N 0 2 452.532 4.655 20 0 JJADLN O=c1[nH]nc(CSc2nnc(-c3ccccc3Cl)n2-c2cccc(C(F)(F)F)c2)[nH]1 ZINC001458725725 1067118900 /nfs/dbraw/zinc/11/89/00/1067118900.db2.gz BFUOKMKKMULQEP-UHFFFAOYSA-N 0 2 452.849 4.723 20 0 JJADLN CC1(C)CC[C@H](CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21 ZINC001545833430 1067183617 /nfs/dbraw/zinc/18/36/17/1067183617.db2.gz XYFKUFSKTKWPJS-QGZVFWFLSA-N 0 2 455.605 4.529 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCN(c4ccc(Cl)cc4Cl)CC3)=N2)c1 ZINC001452992467 1067271631 /nfs/dbraw/zinc/27/16/31/1067271631.db2.gz CNOQXECZUAAOAR-UHFFFAOYSA-N 0 2 459.377 4.971 20 0 JJADLN COc1cc(C)c(C)cc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001453304091 1067295938 /nfs/dbraw/zinc/29/59/38/1067295938.db2.gz NYADDNMTCCRESV-UHFFFAOYSA-N 0 2 459.571 4.806 20 0 JJADLN Cc1cc(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c(C)n1C1CCCCC1 ZINC001453448142 1067306839 /nfs/dbraw/zinc/30/68/39/1067306839.db2.gz XXDXLBNSSDSQJA-YOEHRIQHSA-N 0 2 467.454 4.824 20 0 JJADLN O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453685781 1067322179 /nfs/dbraw/zinc/32/21/79/1067322179.db2.gz UICRKWXZZKCXFF-SJLPKXTDSA-N 0 2 459.295 4.599 20 0 JJADLN O=C(N[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453687296 1067322887 /nfs/dbraw/zinc/32/28/87/1067322887.db2.gz ZNZCJKHQSUNSFH-FOIQADDNSA-N 0 2 476.882 4.876 20 0 JJADLN O=C(N[C@H]1CN(Cc2cc(-c3ccc(F)cc3)no2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001460368083 1067620068 /nfs/dbraw/zinc/62/00/68/1067620068.db2.gz VIPOKCMLPUYXOZ-FPOVZHCZSA-N 0 2 465.422 4.656 20 0 JJADLN O=C(CCCc1ccc2ccccc2c1)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001461573939 1067891702 /nfs/dbraw/zinc/89/17/02/1067891702.db2.gz HMGHRCINJFQJIZ-ROUUACIJSA-N 0 2 460.418 4.763 20 0 JJADLN C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC001463470328 1068412327 /nfs/dbraw/zinc/41/23/27/1068412327.db2.gz VWJHGMRRKOBCBB-PXAZEXFGSA-N 0 2 458.839 4.801 20 0 JJADLN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558543 1068441891 /nfs/dbraw/zinc/44/18/91/1068441891.db2.gz AIUZXTFHASBQIO-SJBDTSRBSA-N 0 2 457.379 4.792 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)CCOc3ccc(Br)cc3)=N2)c1 ZINC001463643336 1068478979 /nfs/dbraw/zinc/47/89/79/1068478979.db2.gz LEQMIFQYRQGAFW-UHFFFAOYSA-N 0 2 458.356 4.615 20 0 JJADLN CCN(Cc1ccccc1C)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001464064033 1068603620 /nfs/dbraw/zinc/60/36/20/1068603620.db2.gz JRPVZXQWYXUIBN-UHFFFAOYSA-N 0 2 456.539 4.606 20 0 JJADLN CCc1ccccc1N1CC(=O)C(C(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)=N1 ZINC001464156924 1068636416 /nfs/dbraw/zinc/63/64/16/1068636416.db2.gz NPHIFJFVFXGKGW-UHFFFAOYSA-N 0 2 457.477 4.555 20 0 JJADLN CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3[O-])cc2Cl)CC1 ZINC001464461288 1068755052 /nfs/dbraw/zinc/75/50/52/1068755052.db2.gz FMWAXHTZFFDPQT-UHFFFAOYSA-N 0 2 452.780 4.592 20 0 JJADLN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c1 ZINC001436240234 1065272174 /nfs/dbraw/zinc/27/21/74/1065272174.db2.gz GNUYSSOPWWLCNG-UHFFFAOYSA-N 0 2 455.864 4.674 20 0 JJADLN CC(C)(C)c1ccc(/C=C/C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437129883 1065511315 /nfs/dbraw/zinc/51/13/15/1065511315.db2.gz IEJAJMCJJIGYLY-SNOKEQIZSA-N 0 2 450.423 4.598 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706765 1065593963 /nfs/dbraw/zinc/59/39/63/1065593963.db2.gz UHBPBHOSKCAEIX-MLHJIOFPSA-N 0 2 458.402 4.544 20 0 JJADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1C[C@H]1c1ccncc1 ZINC001440370152 1065933566 /nfs/dbraw/zinc/93/35/66/1065933566.db2.gz HIUNSISAMOQGMG-DLBZAZTESA-N 0 2 462.358 4.931 20 0 JJADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1C[C@H]1c1cccnc1 ZINC001440374140 1065933687 /nfs/dbraw/zinc/93/36/87/1065933687.db2.gz KKHNFJKAAVHZSU-DLBZAZTESA-N 0 2 462.358 4.931 20 0 JJADLN C[C@@H](CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1CCCO1 ZINC001440380193 1065934866 /nfs/dbraw/zinc/93/48/66/1065934866.db2.gz PTQXADDSJCULJZ-UGSOOPFHSA-N 0 2 457.379 4.938 20 0 JJADLN CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)cc1 ZINC001440559710 1065948786 /nfs/dbraw/zinc/94/87/86/1065948786.db2.gz OFTGOZLSVUOREG-UHFFFAOYSA-N 0 2 454.548 4.797 20 0 JJADLN O=C(Cc1ccc(Cl)cn1)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC001441196205 1066014639 /nfs/dbraw/zinc/01/46/39/1066014639.db2.gz DXZXAABXXADDBD-UHFFFAOYSA-N 0 2 454.310 4.510 20 0 JJADLN CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC001442755833 1066157094 /nfs/dbraw/zinc/15/70/94/1066157094.db2.gz OHWYIAOGPQOEFK-XLIONFOSSA-N 0 2 453.608 4.909 20 0 JJADLN O=C(/C=C/c1ccccc1C(F)(F)F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000201637628 1066250274 /nfs/dbraw/zinc/25/02/74/1066250274.db2.gz OKRGMMPNNPEEON-BJMVGYQFSA-N 0 2 453.467 4.615 20 0 JJADLN CC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1ccccc1 ZINC001444159125 1066421899 /nfs/dbraw/zinc/42/18/99/1066421899.db2.gz XISUVYMIACLHJF-DEOSSOPVSA-N 0 2 456.539 4.690 20 0 JJADLN O=C(c1cc(Br)cc(Br)c1O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001444249088 1066434424 /nfs/dbraw/zinc/43/44/24/1066434424.db2.gz QPRYXTFWNALBGO-GFCCVEGCSA-N 0 2 457.137 4.761 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C(=O)OC(C)(C)C)c3ccc(F)cc3)=N2)cc1 ZINC001455944756 1066456893 /nfs/dbraw/zinc/45/68/93/1066456893.db2.gz LIQWWZIZTAFHAO-NRFANRHFSA-N 0 2 453.514 4.653 20 0 JJADLN O=C(NCC1(c2ccc(Br)cc2)CCCC1)C1=NN(c2ccc(F)cc2)CC1=O ZINC001444687719 1066493586 /nfs/dbraw/zinc/49/35/86/1066493586.db2.gz UMRPQDXAZITYBO-UHFFFAOYSA-N 0 2 458.331 4.721 20 0 JJADLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3F)=N2)cc1 ZINC001445587355 1066592329 /nfs/dbraw/zinc/59/23/29/1066592329.db2.gz BZUZVFXQTWSQTE-UHFFFAOYSA-N 0 2 451.885 4.976 20 0 JJADLN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(Br)c(F)cc2O)cc1 ZINC001445707767 1066608622 /nfs/dbraw/zinc/60/86/22/1066608622.db2.gz XCANCKBBVXIUIP-LBPRGKRZSA-N 0 2 452.324 4.659 20 0 JJADLN CCOc1ccc(C[C@@H](C)C(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1 ZINC001457524289 1066851472 /nfs/dbraw/zinc/85/14/72/1066851472.db2.gz FXGNYYRIKYYUGC-SNVBAGLBSA-N 0 2 456.408 4.671 20 0 JJADLN Cc1ccccc1-c1ccccc1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC001457550501 1066859135 /nfs/dbraw/zinc/85/91/35/1066859135.db2.gz DQKJJJYVZKKJBX-UHFFFAOYSA-N 0 2 450.545 4.567 20 0 JJADLN Cc1ccccc1OCc1nnc(SCC(=O)NOC2CCCCC2)n1-c1ccccc1 ZINC001448117652 1066901512 /nfs/dbraw/zinc/90/15/12/1066901512.db2.gz YMZWZKGLGSRKHU-UHFFFAOYSA-N 0 2 452.580 4.627 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001457788665 1066920723 /nfs/dbraw/zinc/92/07/23/1066920723.db2.gz NCZVTDLDCLVOCR-NBGIEHNGSA-N 0 2 457.574 4.846 20 0 JJADLN C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)CC(C)(C)C1 ZINC001448715645 1066952651 /nfs/dbraw/zinc/95/26/51/1066952651.db2.gz AIEFURFHDFMKCF-IAGOWNOFSA-N 0 2 453.608 4.909 20 0 JJADLN CC(C)(CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O)C1CCC1 ZINC001449712942 1067022467 /nfs/dbraw/zinc/02/24/67/1067022467.db2.gz NJEQBRSACICPFZ-UHFFFAOYSA-N 0 2 456.011 4.943 20 0 JJADLN Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001546100755 1067061986 /nfs/dbraw/zinc/06/19/86/1067061986.db2.gz IQTARUFGULWIKS-UHFFFAOYSA-N 0 2 456.574 4.628 20 0 JJADLN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2O)ccc1Cl ZINC001450977366 1067137920 /nfs/dbraw/zinc/13/79/20/1067137920.db2.gz IXRZEQVZVUKPNM-UHFFFAOYSA-N 0 2 452.866 4.685 20 0 JJADLN CC[C@@H](c1nnc(SCC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)o1)c1ccccc1 ZINC001458936218 1067202370 /nfs/dbraw/zinc/20/23/70/1067202370.db2.gz PCYPQHXVNFBOCV-OAHLLOKOSA-N 0 2 455.502 4.654 20 0 JJADLN Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c(Br)c1 ZINC001460459935 1067638045 /nfs/dbraw/zinc/63/80/45/1067638045.db2.gz IAOXDKJNXQDCCO-IEBWSBKVSA-N 0 2 455.318 4.794 20 0 JJADLN Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c(Br)c1 ZINC001460459935 1067638048 /nfs/dbraw/zinc/63/80/48/1067638048.db2.gz IAOXDKJNXQDCCO-IEBWSBKVSA-N 0 2 455.318 4.794 20 0 JJADLN CCOc1cccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c1OC(F)F ZINC001461491250 1067874634 /nfs/dbraw/zinc/87/46/34/1067874634.db2.gz NDUSZQPIZSUMCC-UHFFFAOYSA-N 0 2 455.508 4.556 20 0 JJADLN Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863005 1067949646 /nfs/dbraw/zinc/94/96/46/1067949646.db2.gz AFAIKXWHMPKGLU-SFTDATJTSA-N 0 2 454.615 4.618 20 0 JJADLN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462006670 1067979023 /nfs/dbraw/zinc/97/90/23/1067979023.db2.gz GVSWNFWCHNBGJA-UHFFFAOYSA-N 0 2 451.445 4.612 20 0 JJADLN Cc1nc(-c2ccc(C)cc2)sc1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462007945 1067979050 /nfs/dbraw/zinc/97/90/50/1067979050.db2.gz INWHKDUQRTYMIS-UHFFFAOYSA-N 0 2 451.445 4.997 20 0 JJADLN Oc1c(Br)cc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1Br ZINC001462361954 1068060166 /nfs/dbraw/zinc/06/01/66/1068060166.db2.gz BNOGKOQPRDENHJ-HZPDHXFCSA-N 0 2 461.581 4.879 20 0 JJADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ncc(F)cc1F ZINC001463561482 1068443419 /nfs/dbraw/zinc/44/34/19/1068443419.db2.gz PYMNULFPGIMDRW-UHFFFAOYSA-N 0 2 458.273 4.720 20 0 JJADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)[C@@H](C)c3ccc(C)cc3)ccc2F)cc1 ZINC001464070807 1068604958 /nfs/dbraw/zinc/60/49/58/1068604958.db2.gz BXFYLDLQUHNWCY-KRWDZBQOSA-N 0 2 456.539 4.777 20 0 JJADLN CC(C)[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CCO1 ZINC001464086752 1068609744 /nfs/dbraw/zinc/60/97/44/1068609744.db2.gz DPMKJDMDXAGKBX-AUUYWEPGSA-N 0 2 454.951 4.670 20 0 JJADLN CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CCO1 ZINC001464086759 1068610310 /nfs/dbraw/zinc/61/03/10/1068610310.db2.gz DPMKJDMDXAGKBX-LIRRHRJNSA-N 0 2 454.951 4.670 20 0 JJADLN COc1ccc([C@H](C)NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1Br ZINC001464126536 1068625016 /nfs/dbraw/zinc/62/50/16/1068625016.db2.gz CTWOAIZMHPGSAF-AWEZNQCLSA-N 0 2 458.356 4.963 20 0 JJADLN O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001464178942 1068644996 /nfs/dbraw/zinc/64/49/96/1068644996.db2.gz MJCMBNSXPQULLT-NRFANRHFSA-N 0 2 455.605 4.995 20 0 JJADLN CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)cc1 ZINC001464245628 1068673279 /nfs/dbraw/zinc/67/32/79/1068673279.db2.gz DFQWZRZRZYORAQ-UHFFFAOYSA-N 0 2 459.571 4.967 20 0 JJADLN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700042 1065593408 /nfs/dbraw/zinc/59/34/08/1065593408.db2.gz CYAVXIGEAYJOQF-HOSILWTGSA-N 0 2 450.423 4.576 20 0 JJADLN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700043 1065593484 /nfs/dbraw/zinc/59/34/84/1065593484.db2.gz CYAVXIGEAYJOQF-NYTXWWLZSA-N 0 2 450.423 4.576 20 0 JJADLN Cc1nc(-c2ccccc2C)sc1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001438208216 1065696174 /nfs/dbraw/zinc/69/61/74/1065696174.db2.gz IPQSGQNNOVLCNI-UHFFFAOYSA-N 0 2 451.445 4.997 20 0 JJADLN O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1ccccc1OCc1cccs1 ZINC001438208739 1065696189 /nfs/dbraw/zinc/69/61/89/1065696189.db2.gz LXADVYPAEOLGKE-UHFFFAOYSA-N 0 2 452.429 4.897 20 0 JJADLN CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001441118808 1066008729 /nfs/dbraw/zinc/00/87/29/1066008729.db2.gz HXBGICMYLGXCAT-UHFFFAOYSA-N 0 2 451.573 4.759 20 0 JJADLN O=C(Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)[C@@H]1CC12CCC2 ZINC001441410410 1066038863 /nfs/dbraw/zinc/03/88/63/1066038863.db2.gz FDFWYDVNSCENGB-HNNXBMFYSA-N 0 2 453.333 4.518 20 0 JJADLN C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC001455177002 1066368212 /nfs/dbraw/zinc/36/82/12/1066368212.db2.gz KSUSCPGEEJWEIZ-GTNSWQLSSA-N 0 2 452.363 4.862 20 0 JJADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(Br)c4ccccc4c3)cc2[nH]c1=S ZINC001455907124 1066448692 /nfs/dbraw/zinc/44/86/92/1066448692.db2.gz WULGNUACHBJUKC-UHFFFAOYSA-N 0 2 454.349 4.873 20 0 JJADLN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(Br)c(F)cc2O)cc1 ZINC001445707763 1066608462 /nfs/dbraw/zinc/60/84/62/1066608462.db2.gz XCANCKBBVXIUIP-GFCCVEGCSA-N 0 2 452.324 4.659 20 0 JJADLN O=C(c1cc(Br)cc(F)c1O)N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001456529494 1066614068 /nfs/dbraw/zinc/61/40/68/1066614068.db2.gz KFTIBNLXIFHUAF-CQSZACIVSA-N 0 2 457.137 4.904 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)=N1 ZINC001456529462 1066614136 /nfs/dbraw/zinc/61/41/36/1066614136.db2.gz JZSDLBKDXKWSDQ-SFHVURJKSA-N 0 2 458.331 4.635 20 0 JJADLN O=C(NCCc1cc(Cl)ccc1Br)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001446382825 1066699919 /nfs/dbraw/zinc/69/99/19/1066699919.db2.gz ADWXUEYYQOZWAE-UHFFFAOYSA-N 0 2 455.139 4.620 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@H](c4ccc(OC(F)F)cc4)C3)=N2)cc1 ZINC001447248089 1066785022 /nfs/dbraw/zinc/78/50/22/1066785022.db2.gz HASWVZXFRMRAEO-NRFANRHFSA-N 0 2 457.477 4.516 20 0 JJADLN Cc1ccc(OCCCC(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)c(C)c1 ZINC001457527728 1066852236 /nfs/dbraw/zinc/85/22/36/1066852236.db2.gz VZJKHUYDDWCNDB-UHFFFAOYSA-N 0 2 456.408 4.870 20 0 JJADLN O=C(C[C@H]1OCc2cc(Cl)ccc21)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC001457619099 1066881616 /nfs/dbraw/zinc/88/16/16/1066881616.db2.gz COADCKNTPJXFCY-OAHLLOKOSA-N 0 2 451.683 4.627 20 0 JJADLN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC001448215588 1066909753 /nfs/dbraw/zinc/90/97/53/1066909753.db2.gz DJIFWDMYIVQKCV-UHFFFAOYSA-N 0 2 451.870 4.545 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(C)C)C2)ccc1Cl ZINC001457752788 1066911531 /nfs/dbraw/zinc/91/15/31/1066911531.db2.gz QIMXRFLTDBJALC-QGZVFWFLSA-N 0 2 450.988 4.658 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc(C)cc(Br)c1 ZINC001457791115 1066921892 /nfs/dbraw/zinc/92/18/92/1066921892.db2.gz SWONEPWRZPOMAK-FQEVSTJZSA-N 0 2 456.384 4.610 20 0 JJADLN Cc1ccc2c(c1)C=C(C(=O)Nc1cc(S(=O)(=O)Nc3ccccc3)c(F)cc1C)CO2 ZINC001448620049 1066943832 /nfs/dbraw/zinc/94/38/32/1066943832.db2.gz MDQLNBDUZFAVNN-UHFFFAOYSA-N 0 2 452.507 4.658 20 0 JJADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cccc(C)c3C)ccc2F)cc1 ZINC001450199967 1067059498 /nfs/dbraw/zinc/05/94/98/1067059498.db2.gz XMCNPJXDZVIUJK-UHFFFAOYSA-N 0 2 456.539 4.524 20 0 JJADLN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC001545824076 1067168633 /nfs/dbraw/zinc/16/86/33/1067168633.db2.gz KSSMVIMWRWLEFB-UHFFFAOYSA-N 0 2 457.379 4.905 20 0 JJADLN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001545824053 1067168743 /nfs/dbraw/zinc/16/87/43/1067168743.db2.gz JTKJBJMYWSGNEE-CYBMUJFWSA-N 0 2 457.379 4.823 20 0 JJADLN CC(C)C1(c2ccccc2)CN(C(=O)c2cc(Br)cc(Br)c2O)C1 ZINC001451651526 1067183129 /nfs/dbraw/zinc/18/31/29/1067183129.db2.gz DPXQVUATKFMUFU-UHFFFAOYSA-N 0 2 453.174 4.967 20 0 JJADLN CCCc1ccc(CCCC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001461579629 1067892939 /nfs/dbraw/zinc/89/29/39/1067892939.db2.gz ZQRAYFWVTLEYQQ-IRXDYDNUSA-N 0 2 452.439 4.562 20 0 JJADLN CC[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC001463073054 1068277272 /nfs/dbraw/zinc/27/72/72/1068277272.db2.gz HRXUKNVGAGVPPA-CYBMUJFWSA-N 0 2 451.322 4.530 20 0 JJADLN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558548 1068441802 /nfs/dbraw/zinc/44/18/02/1068441802.db2.gz AIUZXTFHASBQIO-ZVZLLHMNSA-N 0 2 457.379 4.792 20 0 JJADLN CCC1(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCOCC1 ZINC001463560281 1068443326 /nfs/dbraw/zinc/44/33/26/1068443326.db2.gz KXPCJRVMYWIXPH-UHFFFAOYSA-N 0 2 457.379 4.940 20 0 JJADLN O=S(=O)(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1cc(Br)sc1Cl ZINC001463654597 1068482927 /nfs/dbraw/zinc/48/29/27/1068482927.db2.gz BHBWERVUTHJRFI-JTQLQIEISA-N 0 2 452.676 4.885 20 0 JJADLN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001463940853 1068571168 /nfs/dbraw/zinc/57/11/68/1068571168.db2.gz LVKRJVIMDNMRIT-UHFFFAOYSA-N 0 2 450.545 4.940 20 0 JJADLN CC(C)[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CCO1 ZINC001464086755 1068609707 /nfs/dbraw/zinc/60/97/07/1068609707.db2.gz DPMKJDMDXAGKBX-IFXJQAMLSA-N 0 2 454.951 4.670 20 0 JJADLN CC(C)[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CCO1 ZINC001464086757 1068609785 /nfs/dbraw/zinc/60/97/85/1068609785.db2.gz DPMKJDMDXAGKBX-KUHUBIRLSA-N 0 2 454.951 4.670 20 0 JJADLN CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)CCCC1 ZINC001464183469 1068646199 /nfs/dbraw/zinc/64/61/99/1068646199.db2.gz YLAURPXRHJMXLH-UHFFFAOYSA-N 0 2 455.349 4.908 20 0 JJADLN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001464566522 1068783598 /nfs/dbraw/zinc/78/35/98/1068783598.db2.gz UMKCRSISROXTLR-IBGZPJMESA-N 0 2 459.521 4.999 20 0 JJADLN CCOC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C)cc(CNC(=O)C(F)(F)F)c2)c1 ZINC001436244345 1065273148 /nfs/dbraw/zinc/27/31/48/1065273148.db2.gz ZKXLPHDENACEHG-UHFFFAOYSA-N 0 2 457.836 4.648 20 0 JJADLN C[C@H](CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC001437707320 1065594723 /nfs/dbraw/zinc/59/47/23/1065594723.db2.gz VSCQIJQHVRBUQB-CQDKDKBSSA-N 0 2 458.830 4.509 20 0 JJADLN O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1cc(Br)ccc1C1CC1 ZINC001438207406 1065696135 /nfs/dbraw/zinc/69/61/35/1065696135.db2.gz BKXLFMRSROXSCR-UHFFFAOYSA-N 0 2 459.237 4.896 20 0 JJADLN O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001438209860 1065696999 /nfs/dbraw/zinc/69/69/99/1065696999.db2.gz RLUOQGLCBRDXJI-UHFFFAOYSA-N 0 2 459.371 4.658 20 0 JJADLN CC(C)C[C@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1cccc(C(F)(F)F)c1 ZINC001360812199 1065925253 /nfs/dbraw/zinc/92/52/53/1065925253.db2.gz RXDQRQSNWOWIDL-HNNXBMFYSA-N 0 2 450.379 4.994 20 0 JJADLN CC1(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCC(=O)CC1 ZINC001440365952 1065932870 /nfs/dbraw/zinc/93/28/70/1065932870.db2.gz BMXOKILMQIFGPA-UHFFFAOYSA-N 0 2 455.363 4.882 20 0 JJADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC001440564114 1065950113 /nfs/dbraw/zinc/95/01/13/1065950113.db2.gz DEKQDOUVXDDBHY-INIZCTEOSA-N 0 2 459.262 4.883 20 0 JJADLN CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001441142366 1066010549 /nfs/dbraw/zinc/01/05/49/1066010549.db2.gz ATFUHJGZOMLJQF-UHFFFAOYSA-N 0 2 456.376 4.523 20 0 JJADLN CCCC(O)(CCC)CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC001441183916 1066012580 /nfs/dbraw/zinc/01/25/80/1066012580.db2.gz BVYQLGVAOKKIMV-UHFFFAOYSA-N 0 2 456.967 4.940 20 0 JJADLN O=C(Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)[C@H]1CC12CCC2 ZINC001441410420 1066038770 /nfs/dbraw/zinc/03/87/70/1066038770.db2.gz FDFWYDVNSCENGB-OAHLLOKOSA-N 0 2 453.333 4.518 20 0 JJADLN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)c1cccc(Cl)c1O ZINC001441887515 1066078715 /nfs/dbraw/zinc/07/87/15/1066078715.db2.gz RAEAEBZZQAZXRL-UHFFFAOYSA-N 0 2 455.294 4.891 20 0 JJADLN O=C(Nc1cc(C(=O)Nc2nccc(Br)c2O)ccc1Cl)c1cccs1 ZINC001454380627 1066276689 /nfs/dbraw/zinc/27/66/89/1066276689.db2.gz MQHZYHBAWDHCFZ-UHFFFAOYSA-N 0 2 452.717 4.769 20 0 JJADLN O=C(CCOc1ccc(Cl)cc1Cl)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001454527108 1066296657 /nfs/dbraw/zinc/29/66/57/1066296657.db2.gz ZTHQUDQHBWFXDD-UHFFFAOYSA-N 0 2 453.219 4.719 20 0 JJADLN O=Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCCN3Cc3cccc(Cl)c3)c(O)c2)o1 ZINC001443356977 1066299898 /nfs/dbraw/zinc/29/98/98/1066299898.db2.gz LEVHFHGXBDTBCP-HXUWFJFHSA-N 0 2 452.938 4.903 20 0 JJADLN CC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1ccccc1 ZINC001444159129 1066421792 /nfs/dbraw/zinc/42/17/92/1066421792.db2.gz XISUVYMIACLHJF-XMMPIXPASA-N 0 2 456.539 4.690 20 0 JJADLN CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc3nccs3)cc1)CCC2 ZINC001447230463 1066783817 /nfs/dbraw/zinc/78/38/17/1066783817.db2.gz GYDOARPEPXBHIZ-OAQYLSRUSA-N 0 2 455.605 4.875 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)=N2)c1 ZINC001447634421 1066833026 /nfs/dbraw/zinc/83/30/26/1066833026.db2.gz OOPQLQJQYUTHHX-OAQYLSRUSA-N 0 2 459.468 4.934 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)ccc1Cl ZINC001457603658 1066876042 /nfs/dbraw/zinc/87/60/42/1066876042.db2.gz SIXYPBVHOIPYSP-DOTOQJQBSA-N 0 2 450.988 4.706 20 0 JJADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cc2c(ccnc2Cl)s1 ZINC001457621464 1066882799 /nfs/dbraw/zinc/88/27/99/1066882799.db2.gz RGTIGJTWRUEGBC-UHFFFAOYSA-N 0 2 452.696 4.889 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1csc(-c2ccc(C)o2)n1 ZINC001457785814 1066919346 /nfs/dbraw/zinc/91/93/46/1066919346.db2.gz CVSICJZSAXAXNT-SFHVURJKSA-N 0 2 450.564 4.564 20 0 JJADLN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)c2cc(F)cc(Cl)c2O)C1 ZINC001457806727 1066925045 /nfs/dbraw/zinc/92/50/45/1066925045.db2.gz ONDOTWVKVSNXPM-HNNXBMFYSA-N 0 2 455.755 4.963 20 0 JJADLN O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[nH]c2c1)N1CCC[C@H](CCF)C1 ZINC001457933987 1066943214 /nfs/dbraw/zinc/94/32/14/1066943214.db2.gz PZVDMDVQVMFIKF-OAHLLOKOSA-N 0 2 459.974 4.599 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)CCCOCc1ccccc1 ZINC001448625066 1066945180 /nfs/dbraw/zinc/94/51/80/1066945180.db2.gz ZAZDQKLHKNYIII-UHFFFAOYSA-N 0 2 456.539 4.870 20 0 JJADLN O=C(N[C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001452153306 1067210450 /nfs/dbraw/zinc/21/04/50/1067210450.db2.gz PQDROQOUMIBNPS-GOSISDBHSA-N 0 2 452.795 4.885 20 0 JJADLN CCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)[C@H](C)Cc3ccccc3)cc2[nH]c1=S ZINC001453815783 1067330618 /nfs/dbraw/zinc/33/06/18/1067330618.db2.gz FHXMRYDMGCZLCT-LJQANCHMSA-N 0 2 457.599 4.979 20 0 JJADLN O=C([N-][C@H]1C[N@@H+](Cc2ccc(Br)s2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460396297 1067625987 /nfs/dbraw/zinc/62/59/87/1067625987.db2.gz YNNOROAOGUMJOS-GJZGRUSLSA-N 0 2 465.310 4.686 20 0 JJADLN O=C([N-][C@H]1C[N@H+](Cc2ccc(Br)s2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460396297 1067625992 /nfs/dbraw/zinc/62/59/92/1067625992.db2.gz YNNOROAOGUMJOS-GJZGRUSLSA-N 0 2 465.310 4.686 20 0 JJADLN Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1Br ZINC001460473620 1067640443 /nfs/dbraw/zinc/64/04/43/1067640443.db2.gz SCPBZJCJJXZDEM-IEBWSBKVSA-N 0 2 455.318 4.794 20 0 JJADLN Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1Br ZINC001460473620 1067640449 /nfs/dbraw/zinc/64/04/49/1067640449.db2.gz SCPBZJCJJXZDEM-IEBWSBKVSA-N 0 2 455.318 4.794 20 0 JJADLN Cc1ccc(N2CCN(Cc3cc(Br)c(O)c(Br)c3)CC2)cc1C ZINC001462044128 1067988411 /nfs/dbraw/zinc/98/84/11/1067988411.db2.gz SUBPWJXPHJSVBE-UHFFFAOYSA-N 0 2 454.206 4.856 20 0 JJADLN Cc1ncc(Br)cc1NCc1cc(Br)c(O)c(Br)c1 ZINC001462263983 1068041258 /nfs/dbraw/zinc/04/12/58/1068041258.db2.gz RNXXGFXSFZSJHD-UHFFFAOYSA-N 0 2 450.956 4.995 20 0 JJADLN O=C(N[C@@H]1CN(Cc2cc(Br)cnc2Cl)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001462450888 1068077457 /nfs/dbraw/zinc/07/74/57/1068077457.db2.gz ZSTHSLQSARHHQF-HZPDHXFCSA-N 0 2 476.724 4.534 20 0 JJADLN Cc1ccc(C)c(Oc2ccc(CNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cn2)c1 ZINC001462833201 1068183162 /nfs/dbraw/zinc/18/31/62/1068183162.db2.gz QQHZMRNAZOCHAM-UHFFFAOYSA-N 0 2 458.408 4.665 20 0 JJADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(F)c1Cl ZINC001463396772 1068383995 /nfs/dbraw/zinc/38/39/95/1068383995.db2.gz XDLCRFRVVUNGJO-ZETCQYMHSA-N 0 2 457.713 4.923 20 0 JJADLN C[C@@H]1Cc2cc(-c3ccc(CNS(=O)(=O)c4c(F)c(F)cc(F)c4F)cc3)ccc2O1 ZINC001463464274 1068409115 /nfs/dbraw/zinc/40/91/15/1068409115.db2.gz ZIAWYMMHMQHSFJ-GFCCVEGCSA-N 0 2 451.441 4.712 20 0 JJADLN O=C(CCc1cncs1)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463560194 1068443243 /nfs/dbraw/zinc/44/32/43/1068443243.db2.gz JISFDNLJDDDGHE-UHFFFAOYSA-N 0 2 456.376 4.822 20 0 JJADLN CC1(C)C[C@@H](C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCO1 ZINC001463562889 1068444888 /nfs/dbraw/zinc/44/48/88/1068444888.db2.gz SNJLKLSWMGVINU-ZDUSSCGKSA-N 0 2 457.379 4.938 20 0 JJADLN Cc1cccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)cc2)c1 ZINC001463683836 1068492333 /nfs/dbraw/zinc/49/23/33/1068492333.db2.gz CWRXQQFFSHCOMF-UHFFFAOYSA-N 0 2 452.532 4.530 20 0 JJADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)[C@H](C)c3ccc(C)cc3)ccc2F)cc1 ZINC001464070810 1068604921 /nfs/dbraw/zinc/60/49/21/1068604921.db2.gz BXFYLDLQUHNWCY-QGZVFWFLSA-N 0 2 456.539 4.777 20 0 JJADLN CCCOCc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1O ZINC001464259622 1068679258 /nfs/dbraw/zinc/67/92/58/1068679258.db2.gz JZQDVOLIFTWOAQ-UHFFFAOYSA-N 0 2 457.162 4.774 20 0 JJADLN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(Br)c(F)cc1O ZINC001464260625 1068679312 /nfs/dbraw/zinc/67/93/12/1068679312.db2.gz MMINZAQYGHYYPS-UHFFFAOYSA-N 0 2 454.189 4.963 20 0 JJADLN C[C@@H](CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC001437707337 1065594490 /nfs/dbraw/zinc/59/44/90/1065594490.db2.gz VSCQIJQHVRBUQB-UGFHNGPFSA-N 0 2 458.830 4.509 20 0 JJADLN Cc1cc(CCC(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)no1 ZINC001440382552 1065935572 /nfs/dbraw/zinc/93/55/72/1065935572.db2.gz SUCFAJBIEMIWME-UHFFFAOYSA-N 0 2 454.335 4.662 20 0 JJADLN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(-n4[nH]c(=O)[nH]c4=O)cc3)cc2)cc1 ZINC001440474861 1065942570 /nfs/dbraw/zinc/94/25/70/1065942570.db2.gz NDVYPDDSROWYFZ-UHFFFAOYSA-N 0 2 458.518 4.998 20 0 JJADLN Cc1csc([C@H](C)C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)n1 ZINC001441190580 1066013543 /nfs/dbraw/zinc/01/35/43/1066013543.db2.gz VBHZKSIRMGGVBV-GFCCVEGCSA-N 0 2 453.948 4.787 20 0 JJADLN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC001441345846 1066031594 /nfs/dbraw/zinc/03/15/94/1066031594.db2.gz FNDDYIZTGDDMNA-UHFFFAOYSA-N 0 2 450.495 4.577 20 0 JJADLN C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001442748527 1066156884 /nfs/dbraw/zinc/15/68/84/1066156884.db2.gz MBRPLKOMNCCPID-NVXWUHKLSA-N 0 2 456.011 4.943 20 0 JJADLN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC001442755824 1066157112 /nfs/dbraw/zinc/15/71/12/1066157112.db2.gz OHWYIAOGPQOEFK-FXAWDEMLSA-N 0 2 453.608 4.909 20 0 JJADLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccccc3OCc3ccccc3)cc2[nH]c1=S ZINC001454685802 1066319360 /nfs/dbraw/zinc/31/93/60/1066319360.db2.gz KTECHHRENKBCFX-UHFFFAOYSA-N 0 2 459.571 4.556 20 0 JJADLN C[C@]1(Cc2cccc(Br)c2)CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001455907317 1066449307 /nfs/dbraw/zinc/44/93/07/1066449307.db2.gz YFCDFVUOYQZDMN-JOCHJYFZSA-N 0 2 458.331 4.717 20 0 JJADLN CCc1cnc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccccc2Cl)c3=O)s1 ZINC001444499358 1066468871 /nfs/dbraw/zinc/46/88/71/1066468871.db2.gz CDHIELKLMZKUPK-UHFFFAOYSA-N 0 2 456.980 4.658 20 0 JJADLN O=C(Nc1cc(F)c(F)c(F)c1)c1ccc2c(=O)n(CCc3ccccc3)c(=S)[nH]c2c1 ZINC001444593660 1066479488 /nfs/dbraw/zinc/47/94/88/1066479488.db2.gz FORKRKHODGKLOD-UHFFFAOYSA-N 0 2 455.461 4.598 20 0 JJADLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)[nH]n1 ZINC001444661777 1066489642 /nfs/dbraw/zinc/48/96/42/1066489642.db2.gz AIYZZTNOBIPFFF-UHFFFAOYSA-N 0 2 451.417 4.993 20 0 JJADLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)n[nH]1 ZINC001444661777 1066489647 /nfs/dbraw/zinc/48/96/47/1066489647.db2.gz AIYZZTNOBIPFFF-UHFFFAOYSA-N 0 2 451.417 4.993 20 0 JJADLN CCSCC[C@H](C)N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001444693087 1066493862 /nfs/dbraw/zinc/49/38/62/1066493862.db2.gz YOEMQAKIDHSYFA-KRWDZBQOSA-N 0 2 455.649 4.532 20 0 JJADLN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC001444988986 1066526962 /nfs/dbraw/zinc/52/69/62/1066526962.db2.gz SGXWQQQYIGPAHC-UHFFFAOYSA-N 0 2 456.731 4.990 20 0 JJADLN CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001445084344 1066538235 /nfs/dbraw/zinc/53/82/35/1066538235.db2.gz UPEVDILPSNCLQU-IBGZPJMESA-N 0 2 459.593 4.863 20 0 JJADLN CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)Nc3cc(Cl)cc(Cl)c3O)CCC2)CC1 ZINC001446233372 1066676596 /nfs/dbraw/zinc/67/65/96/1066676596.db2.gz RDZNDSJHUKDEDM-UHFFFAOYSA-N 0 2 459.370 4.570 20 0 JJADLN O=C(c1cc(Br)c(F)cc1O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446403069 1066702565 /nfs/dbraw/zinc/70/25/65/1066702565.db2.gz ZLXDHSTXYJYNLE-MRVPVSSYSA-N 0 2 453.255 4.789 20 0 JJADLN O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(Br)cc(Br)c1O ZINC001446888173 1066754292 /nfs/dbraw/zinc/75/42/92/1066754292.db2.gz KTACYZDXZBRSFX-UHFFFAOYSA-N 0 2 457.137 4.809 20 0 JJADLN O=C(Nc1cncc2ccccc21)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001447186949 1066780780 /nfs/dbraw/zinc/78/07/80/1066780780.db2.gz ZYHZRQMLWZMRMY-UHFFFAOYSA-N 0 2 453.907 4.647 20 0 JJADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(Cl)c(C)cc3Br)cc2[nH]c1=S ZINC001447492074 1066815494 /nfs/dbraw/zinc/81/54/94/1066815494.db2.gz RYYPYGOGSKMZGQ-UHFFFAOYSA-N 0 2 452.761 4.682 20 0 JJADLN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC001457569804 1066866742 /nfs/dbraw/zinc/86/67/42/1066866742.db2.gz HSBVIBIVWQIENT-UHFFFAOYSA-N 0 2 459.312 4.901 20 0 JJADLN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cccc(Br)c1O ZINC001457630213 1066885645 /nfs/dbraw/zinc/88/56/45/1066885645.db2.gz CGNNYYLLSXHELS-UHFFFAOYSA-N 0 2 455.131 4.688 20 0 JJADLN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC001457730926 1066905819 /nfs/dbraw/zinc/90/58/19/1066905819.db2.gz KXKUPYNOORCKFM-MRDQGFSESA-N 0 2 458.514 4.835 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC001457794491 1066922630 /nfs/dbraw/zinc/92/26/30/1066922630.db2.gz ZYXBQNYERMVAOR-XMMPIXPASA-N 0 2 456.546 4.727 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cncc(C(F)(F)F)c1 ZINC001448618195 1066942836 /nfs/dbraw/zinc/94/28/36/1066942836.db2.gz GWQQUCLGPLCKEN-UHFFFAOYSA-N 0 2 453.417 4.601 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cnn(C2CCCCC2)c1 ZINC001448618508 1066943438 /nfs/dbraw/zinc/94/34/38/1066943438.db2.gz ITXYLVKDWQPOIH-UHFFFAOYSA-N 0 2 456.543 4.889 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cc(Cl)c(Cl)n1C ZINC001448621780 1066944297 /nfs/dbraw/zinc/94/42/97/1066944297.db2.gz PEYXFVCVCJILIS-UHFFFAOYSA-N 0 2 456.326 4.833 20 0 JJADLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)C3CCC(C)CC3)cc2)s1 ZINC001448944487 1066972665 /nfs/dbraw/zinc/97/26/65/1066972665.db2.gz UVIREDKMKHYXCO-JTTJXQCZSA-N 0 2 450.630 4.692 20 0 JJADLN CC(=O)N(c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1)[C@H]1C[C@H]1C ZINC001450081697 1067048357 /nfs/dbraw/zinc/04/83/57/1067048357.db2.gz VWWCQDIDVPBEIS-ACJLOTCBSA-N 0 2 453.340 4.853 20 0 JJADLN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C1(NC(=O)C(F)(F)F)CCCC1 ZINC001458791994 1067148786 /nfs/dbraw/zinc/14/87/86/1067148786.db2.gz HTHOHYRNOBTJFU-UHFFFAOYSA-N 0 2 453.844 4.510 20 0 JJADLN O=C(N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001452153321 1067210337 /nfs/dbraw/zinc/21/03/37/1067210337.db2.gz PQDROQOUMIBNPS-SFHVURJKSA-N 0 2 452.795 4.885 20 0 JJADLN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(Br)cc(F)c1O ZINC001453033080 1067274993 /nfs/dbraw/zinc/27/49/93/1067274993.db2.gz LIRAPLYRKBVTIE-DYZYQPBXSA-N 0 2 473.136 4.659 20 0 JJADLN O=C(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001453124477 1067281040 /nfs/dbraw/zinc/28/10/40/1067281040.db2.gz IHFLDVKJWKYKLP-WMZOPIPTSA-N 0 2 477.285 4.738 20 0 JJADLN Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863002 1067949716 /nfs/dbraw/zinc/94/97/16/1067949716.db2.gz AFAIKXWHMPKGLU-LEWJYISDSA-N 0 2 454.615 4.618 20 0 JJADLN Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)[nH+]1 ZINC001461863004 1067949774 /nfs/dbraw/zinc/94/97/74/1067949774.db2.gz AFAIKXWHMPKGLU-RTWAWAEBSA-N 0 2 454.615 4.618 20 0 JJADLN O=C(CCc1nc2cc(Cl)ccc2s1)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462007964 1067979100 /nfs/dbraw/zinc/97/91/00/1067979100.db2.gz JEFCXUGOGWCKCO-UHFFFAOYSA-N 0 2 459.852 4.839 20 0 JJADLN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001462106226 1068004105 /nfs/dbraw/zinc/00/41/05/1068004105.db2.gz UHLMWZILWWQWII-HNNXBMFYSA-N 0 2 459.262 4.506 20 0 JJADLN Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)c3cccc(C(F)F)c3)cc2)s1 ZINC001462829827 1068181468 /nfs/dbraw/zinc/18/14/68/1068181468.db2.gz DWGAEIVWPHCQEA-UHFFFAOYSA-N 0 2 459.517 4.563 20 0 JJADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)c(F)c1Cl ZINC001463537383 1068433125 /nfs/dbraw/zinc/43/31/25/1068433125.db2.gz HSMWXMGECCLJNW-ZDUSSCGKSA-N 0 2 456.942 4.755 20 0 JJADLN O=C(C[C@H]1CCCC[C@@H]1O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463563905 1068445834 /nfs/dbraw/zinc/44/58/34/1068445834.db2.gz WNJGRHRYAXHJEK-ACJLOTCBSA-N 0 2 457.379 4.674 20 0 JJADLN O=C(Nc1ccc(Cl)cc1F)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC001463601823 1068461891 /nfs/dbraw/zinc/46/18/91/1068461891.db2.gz FBSHUSJCMQXXNC-UHFFFAOYSA-N 0 2 455.294 4.891 20 0 JJADLN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(Br)c(F)cc1O ZINC001463972384 1068578818 /nfs/dbraw/zinc/57/88/18/1068578818.db2.gz XGSXHVOZXFGIDP-UHFFFAOYSA-N 0 2 459.319 4.839 20 0 JJADLN O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001464595682 1068794354 /nfs/dbraw/zinc/79/43/54/1068794354.db2.gz CBCYPHDIFIJJGV-HXUWFJFHSA-N 0 2 459.568 4.744 20 0 JJADLN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)Nc2n[nH]c(C(C)C)n2)cc1 ZINC001464709342 1068833279 /nfs/dbraw/zinc/83/32/79/1068833279.db2.gz ATGLIEIKMYFUQB-UHFFFAOYSA-N 0 2 455.584 4.587 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706780 1065593936 /nfs/dbraw/zinc/59/39/36/1065593936.db2.gz UHBPBHOSKCAEIX-XSLAGTTESA-N 0 2 458.402 4.544 20 0 JJADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@]12CCC[C@H]1OCC2 ZINC001440365497 1065932958 /nfs/dbraw/zinc/93/29/58/1065932958.db2.gz AEXHCIWAKQMOGO-XLIONFOSSA-N 0 2 455.363 4.692 20 0 JJADLN Cc1csc([C@@H](C)C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)n1 ZINC001441190582 1066013517 /nfs/dbraw/zinc/01/35/17/1066013517.db2.gz VBHZKSIRMGGVBV-LBPRGKRZSA-N 0 2 453.948 4.787 20 0 JJADLN C[C@@H](C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CCC1 ZINC001441413314 1066038732 /nfs/dbraw/zinc/03/87/32/1066038732.db2.gz MSJIIUOLWMVJIF-GFCCVEGCSA-N 0 2 455.349 4.764 20 0 JJADLN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)C2=NN(c3ccccc3)CC2=O)cc1OC ZINC001442469173 1066128577 /nfs/dbraw/zinc/12/85/77/1066128577.db2.gz JMNQLCUVPCVROK-JOCHJYFZSA-N 0 2 457.530 4.617 20 0 JJADLN COc1ccc(Br)cc1OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC001454014794 1066235205 /nfs/dbraw/zinc/23/52/05/1066235205.db2.gz IPZGGTISCFFFHG-UHFFFAOYSA-N 0 2 457.202 4.587 20 0 JJADLN O=C(CCSc1nc2ccccc2s1)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001454509858 1066295174 /nfs/dbraw/zinc/29/51/74/1066295174.db2.gz CRJOIVPXPVYENY-UHFFFAOYSA-N 0 2 457.474 4.735 20 0 JJADLN O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[nH]c2c1)N1CCC(CCF)CC1 ZINC001454562635 1066301307 /nfs/dbraw/zinc/30/13/07/1066301307.db2.gz KMRUPIAKMDNUQW-UHFFFAOYSA-N 0 2 459.974 4.599 20 0 JJADLN COc1ccc(CCN(CC(C)C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc1OC ZINC001443886268 1066381282 /nfs/dbraw/zinc/38/12/82/1066381282.db2.gz APJVFABTTSABCY-UHFFFAOYSA-N 0 2 457.958 4.589 20 0 JJADLN CC[C@](C)(NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O)c1ccccc1 ZINC001444155524 1066420052 /nfs/dbraw/zinc/42/00/52/1066420052.db2.gz LXUARJQHKBEKLE-MHZLTWQESA-N 0 2 457.599 4.983 20 0 JJADLN C[C@@]1(Cc2cccc(Br)c2)CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001455907322 1066449292 /nfs/dbraw/zinc/44/92/92/1066449292.db2.gz YFCDFVUOYQZDMN-QFIPXVFZSA-N 0 2 458.331 4.717 20 0 JJADLN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)CC3CCC(C(C)(C)C)CC3)cc2)s1 ZINC001455935856 1066455214 /nfs/dbraw/zinc/45/52/14/1066455214.db2.gz XJYLFSNUTFLWTD-UHFFFAOYSA-N 0 2 450.630 4.828 20 0 JJADLN O=C(c1cc(Br)cc(F)c1O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001445545703 1066586415 /nfs/dbraw/zinc/58/64/15/1066586415.db2.gz VKXSWQFYKFAFLX-QGZVFWFLSA-N 0 2 450.329 4.731 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)=N1 ZINC001456529461 1066614253 /nfs/dbraw/zinc/61/42/53/1066614253.db2.gz JZSDLBKDXKWSDQ-GOSISDBHSA-N 0 2 458.331 4.635 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCc4cc(Br)c(F)cc4C3)=N2)cc1 ZINC001456613166 1066643672 /nfs/dbraw/zinc/64/36/72/1066643672.db2.gz ZMHNVSJVMJSRJK-UHFFFAOYSA-N 0 2 458.331 4.801 20 0 JJADLN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C[C@H]1[C@@H]1CCCO1 ZINC001446235271 1066676489 /nfs/dbraw/zinc/67/64/89/1066676489.db2.gz XMRHUJSEFLBREM-ZLIFDBKOSA-N 0 2 459.370 4.832 20 0 JJADLN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(Br)cc(Br)c1O ZINC001446848147 1066747747 /nfs/dbraw/zinc/74/77/47/1066747747.db2.gz YVWGCGNATIDVGT-UHFFFAOYSA-N 0 2 453.052 4.607 20 0 JJADLN COC[C@H](NC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1)c1ccco1 ZINC001457210107 1066791226 /nfs/dbraw/zinc/79/12/26/1066791226.db2.gz UJQQIFUHOKPJBR-NSHDSACASA-N 0 2 458.177 4.536 20 0 JJADLN O=C(CSc1cccs1)Nc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC001457569858 1066866685 /nfs/dbraw/zinc/86/66/85/1066866685.db2.gz JJRWMQFQQHYBBG-UHFFFAOYSA-N 0 2 453.524 4.655 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(C)C)C2)ccc1Cl ZINC001457752787 1066911558 /nfs/dbraw/zinc/91/15/58/1066911558.db2.gz QIMXRFLTDBJALC-KRWDZBQOSA-N 0 2 450.988 4.658 20 0 JJADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)cc1 ZINC001457781792 1066918830 /nfs/dbraw/zinc/91/88/30/1066918830.db2.gz LPTIZPJMKRRRES-UHFFFAOYSA-N 0 2 452.561 4.808 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1occc1COc1ccccc1 ZINC001457785388 1066919466 /nfs/dbraw/zinc/91/94/66/1066919466.db2.gz IKFXFCFZQDBMSP-QHCPKHFHSA-N 0 2 459.546 4.712 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)C1(c2c(F)cccc2F)CCC1 ZINC001457786448 1066919915 /nfs/dbraw/zinc/91/99/15/1066919915.db2.gz GIGNGGKXXWXNQD-IBGZPJMESA-N 0 2 453.533 4.626 20 0 JJADLN Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(S(=O)(=O)Nc3ccccc3)c(F)cc1C)CO2 ZINC001448617161 1066942317 /nfs/dbraw/zinc/94/23/17/1066942317.db2.gz BNWOHICADYEQTC-LJQANCHMSA-N 0 2 454.523 4.666 20 0 JJADLN COCCCn1c(=O)c2ccc(C(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)cc2[nH]c1=S ZINC001448665796 1066947143 /nfs/dbraw/zinc/94/71/43/1066947143.db2.gz BOTWNDQGAFDZKX-LJQANCHMSA-N 0 2 451.592 4.512 20 0 JJADLN Cc1ccc(C(=O)Nc2ccc(F)c(F)c2O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001450999480 1067139228 /nfs/dbraw/zinc/13/92/28/1067139228.db2.gz KJZVQFKQUBHFBB-UHFFFAOYSA-N 0 2 452.866 4.685 20 0 JJADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC001545824455 1067168553 /nfs/dbraw/zinc/16/85/53/1067168553.db2.gz YUXOXBIJQTXJFR-HNNXBMFYSA-N 0 2 458.139 4.705 20 0 JJADLN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001545824054 1067168604 /nfs/dbraw/zinc/16/86/04/1067168604.db2.gz JTKJBJMYWSGNEE-ZDUSSCGKSA-N 0 2 457.379 4.823 20 0 JJADLN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001462106227 1068004059 /nfs/dbraw/zinc/00/40/59/1068004059.db2.gz UHLMWZILWWQWII-OAHLLOKOSA-N 0 2 459.262 4.506 20 0 JJADLN CC1(C)CO[C@@H](CC(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)C1 ZINC001463558620 1068441909 /nfs/dbraw/zinc/44/19/09/1068441909.db2.gz BDQPPLMNJBQJGM-HNNXBMFYSA-N 0 2 457.379 4.938 20 0 JJADLN CC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)c1ccc(Cl)cc1 ZINC001463879058 1068553998 /nfs/dbraw/zinc/55/39/98/1068553998.db2.gz VLAUFDOQROOZNA-LJQANCHMSA-N 0 2 453.951 4.861 20 0 JJADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001464086216 1068609624 /nfs/dbraw/zinc/60/96/24/1068609624.db2.gz CQHURVMXRNRWTA-KWCYVHTRSA-N 0 2 458.889 4.900 20 0 JJADLN O=C(CCCC1CCOCC1)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC001464089577 1068610861 /nfs/dbraw/zinc/61/08/61/1068610861.db2.gz UDKVIRCDGSNTDH-UHFFFAOYSA-N 0 2 454.951 4.815 20 0 JJADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4[nH]c(C)cc4c3)ccc2F)cc1 ZINC001464126238 1068624350 /nfs/dbraw/zinc/62/43/50/1068624350.db2.gz YFXWPBFDZYGBEW-UHFFFAOYSA-N 0 2 453.495 4.677 20 0 JJADLN COc1ccc([C@@H](C)NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1Br ZINC001464126540 1068624889 /nfs/dbraw/zinc/62/48/89/1068624889.db2.gz CTWOAIZMHPGSAF-CQSZACIVSA-N 0 2 458.356 4.963 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)=N1 ZINC001464193283 1068650967 /nfs/dbraw/zinc/65/09/67/1068650967.db2.gz OKTXPDBHIIFGMK-QGZVFWFLSA-N 0 2 458.493 4.769 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)=N1 ZINC001464193281 1068651070 /nfs/dbraw/zinc/65/10/70/1068651070.db2.gz OKTXPDBHIIFGMK-KRWDZBQOSA-N 0 2 458.493 4.769 20 0 JJADLN O=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000003446170 194326953 /nfs/dbraw/zinc/32/69/53/194326953.db2.gz RAPHNNWAFPYNSF-UHFFFAOYSA-N 0 2 490.912 4.960 20 0 JJADLN Cc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cs2)cc1 ZINC000019678031 1065111407 /nfs/dbraw/zinc/11/14/07/1065111407.db2.gz SVYBCDYVOVUODL-UHFFFAOYSA-N 0 2 470.601 4.557 20 0 JJADLN Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700045 1065593365 /nfs/dbraw/zinc/59/33/65/1065593365.db2.gz CYAVXIGEAYJOQF-YXWQFLTLSA-N 0 2 450.423 4.576 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1)C(F)(F)F ZINC001437706742 1065593897 /nfs/dbraw/zinc/59/38/97/1065593897.db2.gz UHBPBHOSKCAEIX-MHORFTMASA-N 0 2 458.402 4.544 20 0 JJADLN O=C(C[C@@H]1CCCC[C@H]1O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001440384830 1065936388 /nfs/dbraw/zinc/93/63/88/1065936388.db2.gz WNJGRHRYAXHJEK-SCLBCKFNSA-N 0 2 457.379 4.674 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)=N2)c1 ZINC001440408563 1065938833 /nfs/dbraw/zinc/93/88/33/1065938833.db2.gz HBNZCVHZFHOTMB-UHFFFAOYSA-N 0 2 458.484 4.683 20 0 JJADLN C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001442748518 1066156845 /nfs/dbraw/zinc/15/68/45/1066156845.db2.gz MBRPLKOMNCCPID-DOTOQJQBSA-N 0 2 456.011 4.943 20 0 JJADLN COC[C@@H](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)c1cccc(Br)c1 ZINC001455005399 1066351661 /nfs/dbraw/zinc/35/16/61/1066351661.db2.gz KXEZSENDKAUELK-LJQANCHMSA-N 0 2 458.356 4.581 20 0 JJADLN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccc(Cl)cc3[nH]2)ccc1F ZINC001455482758 1066396731 /nfs/dbraw/zinc/39/67/31/1066396731.db2.gz YFRCHDXRLQETPB-UHFFFAOYSA-N 0 2 458.902 4.717 20 0 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CC[C@@](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)(C(=O)OC)c1ccc(Cl)cc1 ZINC001449354290 1067002441 /nfs/dbraw/zinc/00/24/41/1067002441.db2.gz ZDFGWNIZBUKGFO-DEOSSOPVSA-N 0 2 455.942 4.563 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3nc4cc(Br)ccc4o3)=N2)cc1 ZINC001450693899 1067104374 /nfs/dbraw/zinc/10/43/74/1067104374.db2.gz QBDKAPFTJHQNID-UHFFFAOYSA-N 0 2 455.312 4.535 20 0 JJADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001545823955 1067168767 /nfs/dbraw/zinc/16/87/67/1067168767.db2.gz FSLQFNPNHGCING-UHFFFAOYSA-N 0 2 455.294 4.891 20 0 JJADLN CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c2ccccc21 ZINC001452746638 1067248113 /nfs/dbraw/zinc/24/81/13/1067248113.db2.gz RGJMZSHLNVXLNT-MOPGFXCFSA-N 0 2 453.926 4.531 20 0 JJADLN COc1ccc([C@@H]2CC[N@H+](Cc3ccsc3Cl)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460362391 1067618631 /nfs/dbraw/zinc/61/86/31/1067618631.db2.gz NGGJYZMTSFIYDF-ZFWWWQNUSA-N 0 2 450.885 4.586 20 0 JJADLN 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CCc1ccccc1N1CC(=O)C(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)=N1 ZINC001444515895 1066471985 /nfs/dbraw/zinc/47/19/85/1066471985.db2.gz WOIQYFIHACVKCH-UHFFFAOYSA-N 0 2 454.368 4.707 20 0 JJADLN O=C(Cc1cc(Cl)cc2ccccc21)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001445075732 1066536319 /nfs/dbraw/zinc/53/63/19/1066536319.db2.gz AUKXKQSOUZJBIA-UHFFFAOYSA-N 0 2 457.964 4.932 20 0 JJADLN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(C(F)(F)F)cc1 ZINC001445076076 1066536366 /nfs/dbraw/zinc/53/63/66/1066536366.db2.gz CJNNJVUPVKGHHZ-LBPRGKRZSA-N 0 2 455.483 4.705 20 0 JJADLN CCCCCCOc1cc(C)ccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC001445515178 1066579384 /nfs/dbraw/zinc/57/93/84/1066579384.db2.gz NTXCBPZVWIKVNT-UHFFFAOYSA-N 0 2 453.608 4.903 20 0 JJADLN Cc1cc(=O)c(C(=O)Nc2cc(Cl)cc(Cl)c2O)nn1-c1ccccc1C(F)(F)F ZINC001446232845 1066676390 /nfs/dbraw/zinc/67/63/90/1066676390.db2.gz QABQPLIIFCDERZ-UHFFFAOYSA-N 0 2 458.223 4.824 20 0 JJADLN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(Br)cc1O ZINC001446340516 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COc1ccc(-c2cc3[nH]c(CSc4cc(C(F)(F)F)ncn4)nc(=O)c3s2)cc1 ZINC001459279853 1067281938 /nfs/dbraw/zinc/28/19/38/1067281938.db2.gz FVHRETOUSGWENN-UHFFFAOYSA-N 0 2 450.467 4.761 20 0 JJADLN O=C1CCC[C@H](c2cccc(NCc3cc(Br)c(O)c(Br)c3)c2)N1 ZINC001462589044 1068105795 /nfs/dbraw/zinc/10/57/95/1068105795.db2.gz LEFJNWYBBOVKBP-MRXNPFEDSA-N 0 2 454.162 4.871 20 0 JJADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)C2(c3ccccc3)CCCC2)c(F)c1Cl ZINC001463537376 1068433214 /nfs/dbraw/zinc/43/32/14/1068433214.db2.gz HSMWXMGECCLJNW-CYBMUJFWSA-N 0 2 456.942 4.755 20 0 JJADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1conc1C1CC1 ZINC001463564226 1068445784 /nfs/dbraw/zinc/44/57/84/1068445784.db2.gz YNIAQBKWUQKEQS-UHFFFAOYSA-N 0 2 452.319 4.912 20 0 JJADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1nc(Cl)ccc1F ZINC001464087550 1068610455 /nfs/dbraw/zinc/61/04/55/1068610455.db2.gz JCLORJAGPPHVHC-UHFFFAOYSA-N 0 2 458.273 4.720 20 0 JJADLN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1Cl ZINC001464122075 1068622445 /nfs/dbraw/zinc/62/24/45/1068622445.db2.gz PADUTBZTQDLYHX-UHFFFAOYSA-N 0 2 451.957 4.637 20 0 JJADLN COc1ccc(N2CC(=O)C(C(=O)NCc3nc(-c4ccc(Cl)cc4)c(C)s3)=N2)cc1 ZINC001464452736 1068751239 /nfs/dbraw/zinc/75/12/39/1068751239.db2.gz QXDJUYXRZUIGSE-UHFFFAOYSA-N 0 2 454.939 4.602 20 0 JJADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)cc2)nc(C)n1 ZINC000003244542 194249777 /nfs/dbraw/zinc/24/97/77/194249777.db2.gz TVDKNZIXDRFMHS-UHFFFAOYSA-N 0 2 499.552 4.955 20 0 JJADLN CCc1ncsc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001545902949 1065471914 /nfs/dbraw/zinc/47/19/14/1065471914.db2.gz DFOKOHRAYKSCJL-UHFFFAOYSA-N 0 2 456.980 4.658 20 0 JJADLN O=C(Cc1ccc(C2CCCCC2)cc1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437132602 1065511469 /nfs/dbraw/zinc/51/14/69/1065511469.db2.gz MGGSTVQGLMWKOW-MSOLQXFVSA-N 0 2 464.450 4.877 20 0 JJADLN O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1)C(F)(F)F ZINC001437707594 1065594431 /nfs/dbraw/zinc/59/44/31/1065594431.db2.gz YBKIREFDMXRCRP-NBMRYCAZSA-N 0 2 458.402 4.544 20 0 JJADLN O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1ccc(Oc2ccccc2F)nc1 ZINC001438208882 1065696227 /nfs/dbraw/zinc/69/62/27/1065696227.db2.gz MTDBOMOPKRATLF-UHFFFAOYSA-N 0 2 451.351 4.583 20 0 JJADLN C[C@H](CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1CCCO1 ZINC001440380182 1065934846 /nfs/dbraw/zinc/93/48/46/1065934846.db2.gz PTQXADDSJCULJZ-ACJLOTCBSA-N 0 2 457.379 4.938 20 0 JJADLN O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)NOCc1ccccc1 ZINC001440903385 1065992965 /nfs/dbraw/zinc/99/29/65/1065992965.db2.gz QUZMHAQJALRCRC-UHFFFAOYSA-N 0 2 454.939 4.580 20 0 JJADLN Cc1nc(CCC(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cs1 ZINC001441187310 1066012971 /nfs/dbraw/zinc/01/29/71/1066012971.db2.gz KRWKVGZUMMSVNC-UHFFFAOYSA-N 0 2 453.948 4.616 20 0 JJADLN C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC001442748541 1066156850 /nfs/dbraw/zinc/15/68/50/1066156850.db2.gz MBRPLKOMNCCPID-WBVHZDCISA-N 0 2 456.011 4.943 20 0 JJADLN Cc1ccccc1Nc1scnc1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001454519723 1066295887 /nfs/dbraw/zinc/29/58/87/1066295887.db2.gz BWWMAUZFMFBOAR-UHFFFAOYSA-N 0 2 452.433 4.765 20 0 JJADLN O=Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCCN3Cc3cccc(Cl)c3)c(O)c2)o1 ZINC001443356974 1066299942 /nfs/dbraw/zinc/29/99/42/1066299942.db2.gz LEVHFHGXBDTBCP-FQEVSTJZSA-N 0 2 452.938 4.903 20 0 JJADLN O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC001454662269 1066317810 /nfs/dbraw/zinc/31/78/10/1066317810.db2.gz KLMVWKBXXZURLW-HXUWFJFHSA-N 0 2 454.958 4.690 20 0 JJADLN CC(=O)Nc1c(C)ccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1C ZINC001443621313 1066338497 /nfs/dbraw/zinc/33/84/97/1066338497.db2.gz UKPTZFMCLHXVRG-UHFFFAOYSA-N 0 2 457.577 4.685 20 0 JJADLN CCCN(C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001443629076 1066340112 /nfs/dbraw/zinc/34/01/12/1066340112.db2.gz YMAGQDNGMSVWSM-FQEVSTJZSA-N 0 2 456.587 4.563 20 0 JJADLN COCCCn1c(=O)c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3C)cc2[nH]c1=S ZINC001443963588 1066388100 /nfs/dbraw/zinc/38/81/00/1066388100.db2.gz HWTKZCISRFNSCM-OAQYLSRUSA-N 0 2 453.608 4.547 20 0 JJADLN CC[C@@](C)(NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O)c1ccccc1 ZINC001444155501 1066420376 /nfs/dbraw/zinc/42/03/76/1066420376.db2.gz LXUARJQHKBEKLE-HHHXNRCGSA-N 0 2 457.599 4.983 20 0 JJADLN O=C(c1cc(Br)cc(Br)c1O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001444249089 1066434519 /nfs/dbraw/zinc/43/45/19/1066434519.db2.gz QPRYXTFWNALBGO-LBPRGKRZSA-N 0 2 457.137 4.761 20 0 JJADLN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)C/C=C\c3ccc(C(C)C)cc3)cc2)s1 ZINC001455927371 1066452604 /nfs/dbraw/zinc/45/26/04/1066452604.db2.gz BDUIBOCTRPFHCD-PLNGDYQASA-N 0 2 456.593 4.813 20 0 JJADLN Cc1ccccc1Oc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC001456565000 1066627000 /nfs/dbraw/zinc/62/70/00/1066627000.db2.gz HYAKUEKOZOQEFW-UHFFFAOYSA-N 0 2 452.532 4.530 20 0 JJADLN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)cc1 ZINC001457517151 1066848990 /nfs/dbraw/zinc/84/89/90/1066848990.db2.gz HTAFTYLBWAUPRH-XMMPIXPASA-N 0 2 450.966 4.824 20 0 JJADLN CC(C)(C)c1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[nH]c2c1 ZINC001457520110 1066850428 /nfs/dbraw/zinc/85/04/28/1066850428.db2.gz OPDKUHTXEGVBTR-UHFFFAOYSA-N 0 2 454.577 4.975 20 0 JJADLN CC(C)(C)O[C@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1 ZINC001457528492 1066852915 /nfs/dbraw/zinc/85/29/15/1066852915.db2.gz XFPOEWTXVMQSST-LBPRGKRZSA-N 0 2 456.408 4.950 20 0 JJADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccc(OCC(F)(F)F)cc1 ZINC001457622052 1066883280 /nfs/dbraw/zinc/88/32/80/1066883280.db2.gz YHAPCVGNPMSJGE-UHFFFAOYSA-N 0 2 459.197 4.567 20 0 JJADLN COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC001457730931 1066905752 /nfs/dbraw/zinc/90/57/52/1066905752.db2.gz KXKUPYNOORCKFM-QLXKLKPCSA-N 0 2 458.514 4.835 20 0 JJADLN COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1 ZINC001457731150 1066906209 /nfs/dbraw/zinc/90/62/09/1066906209.db2.gz KXKUPYNOORCKFM-WGDIFIGCSA-N 0 2 458.514 4.835 20 0 JJADLN CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001457817452 1066927482 /nfs/dbraw/zinc/92/74/82/1066927482.db2.gz GCFDUPSARWKFLJ-DOTOQJQBSA-N 0 2 450.988 4.706 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cc(Cl)c(F)cc1N ZINC001448621680 1066944231 /nfs/dbraw/zinc/94/42/31/1066944231.db2.gz ODUZBJPWTQZFDI-UHFFFAOYSA-N 0 2 451.882 4.562 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cn(C)cc1C(F)(F)F ZINC001448623525 1066944906 /nfs/dbraw/zinc/94/49/06/1066944906.db2.gz SFWJSIFNGMPIBM-UHFFFAOYSA-N 0 2 455.433 4.545 20 0 JJADLN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(S(=O)(=O)Nc3ccccc3)c(F)cc1C)C2 ZINC001448625033 1066945458 /nfs/dbraw/zinc/94/54/58/1066945458.db2.gz YAJJOISSNDJOKB-NRFANRHFSA-N 0 2 456.564 4.899 20 0 JJADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001457955148 1066948105 /nfs/dbraw/zinc/94/81/05/1066948105.db2.gz CBJWMGAFNSPVOT-OAHLLOKOSA-N 0 2 451.748 4.764 20 0 JJADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N(Cc1csc(Br)c1)C1CC1 ZINC001546009378 1066955658 /nfs/dbraw/zinc/95/56/58/1066955658.db2.gz MUKAWGNATQHPGA-UHFFFAOYSA-N 0 2 452.761 4.860 20 0 JJADLN Cc1ccccc1CCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001450227192 1067061526 /nfs/dbraw/zinc/06/15/26/1067061526.db2.gz PNJKKUPBLUWOJO-UHFFFAOYSA-N 0 2 457.599 4.551 20 0 JJADLN COc1ccc([C@@H]2CCN(c3nc4ccc(F)cc4s3)C[C@@H]2NC(=O)C(F)(F)F)cc1F ZINC001458473139 1067071207 /nfs/dbraw/zinc/07/12/07/1067071207.db2.gz HKNDRTIHOUJVTQ-BBRMVZONSA-N 0 2 471.451 4.624 20 0 JJADLN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC001545820963 1067160474 /nfs/dbraw/zinc/16/04/74/1067160474.db2.gz OEMQTESXSQFTBW-UHFFFAOYSA-N 0 2 458.849 4.501 20 0 JJADLN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cc(Br)cc(F)c1O ZINC001451526072 1067176787 /nfs/dbraw/zinc/17/67/87/1067176787.db2.gz HFPVZDRRADXDFU-UHFFFAOYSA-N 0 2 458.696 4.630 20 0 JJADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC001452250972 1067216315 /nfs/dbraw/zinc/21/63/15/1067216315.db2.gz SFYMFULHSYGXHE-UHFFFAOYSA-N 0 2 453.010 4.771 20 0 JJADLN O=C(NCc1ccc(COc2cccc(F)c2)cc1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001452259242 1067216375 /nfs/dbraw/zinc/21/63/75/1067216375.db2.gz UHYQDRQLYKTOEQ-UHFFFAOYSA-N 0 2 451.885 4.879 20 0 JJADLN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H](NC(=O)C(F)(F)F)CC[C@H]4C(F)(F)F)cc3c2C1 ZINC001461185994 1067795062 /nfs/dbraw/zinc/79/50/62/1067795062.db2.gz WKVLTHVTVZIISV-BVRBVLIYSA-N 0 2 475.433 4.507 20 0 JJADLN Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001462011898 1067980108 /nfs/dbraw/zinc/98/01/08/1067980108.db2.gz TVEKVBMCHFWYFQ-UHFFFAOYSA-N 0 2 455.795 4.873 20 0 JJADLN C[C@@H](CNc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(Br)c1 ZINC001462209122 1068029294 /nfs/dbraw/zinc/02/92/94/1068029294.db2.gz GJFKXAFCYWYURN-ZDUSSCGKSA-N 0 2 452.399 4.922 20 0 JJADLN O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1c(F)cc(Br)cc1F ZINC001462836753 1068185110 /nfs/dbraw/zinc/18/51/10/1068185110.db2.gz NZADHWFNDGJMAM-UHFFFAOYSA-N 0 2 454.292 4.998 20 0 JJADLN O=S(=O)(NCC1(c2ccc(Cl)cc2)CCC1)c1c(F)cc(Br)cc1F ZINC001463010994 1068250407 /nfs/dbraw/zinc/25/04/07/1068250407.db2.gz XTRHHHINLUPPBF-UHFFFAOYSA-N 0 2 450.732 4.781 20 0 JJADLN C[C@H]1Cc2cc(-c3ccc(CNS(=O)(=O)c4c(F)c(F)cc(F)c4F)cc3)ccc2O1 ZINC001463464276 1068409084 /nfs/dbraw/zinc/40/90/84/1068409084.db2.gz ZIAWYMMHMQHSFJ-LBPRGKRZSA-N 0 2 451.441 4.712 20 0 JJADLN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463558545 1068441757 /nfs/dbraw/zinc/44/17/57/1068441757.db2.gz AIUZXTFHASBQIO-WLHTULFXSA-N 0 2 457.379 4.792 20 0 JJADLN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC001463907017 1068561572 /nfs/dbraw/zinc/56/15/72/1068561572.db2.gz NOXYIFGELJNAQS-UHFFFAOYSA-N 0 2 452.986 4.703 20 0 JJADLN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC001463907017 1068561583 /nfs/dbraw/zinc/56/15/83/1068561583.db2.gz NOXYIFGELJNAQS-UHFFFAOYSA-N 0 2 452.986 4.703 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)=N2)c1 ZINC001464380022 1068725166 /nfs/dbraw/zinc/72/51/66/1068725166.db2.gz CVXYYOOSKSXFSI-UHFFFAOYSA-N 0 2 453.970 4.833 20 0 JJADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001434868659 1064306601 /nfs/dbraw/zinc/30/66/01/1064306601.db2.gz OHIXBETYGFTJCT-UHFFFAOYSA-N 0 2 450.783 4.721 20 0 JJADLN CC(C)(C)c1ccc(/C=C\C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437129878 1065511264 /nfs/dbraw/zinc/51/12/64/1065511264.db2.gz IEJAJMCJJIGYLY-PSRMNPKISA-N 0 2 450.423 4.598 20 0 JJADLN O=C(N[C@H]1CN(C(=O)c2cc(Cl)nc3ccccc32)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437471660 1065557634 /nfs/dbraw/zinc/55/76/34/1065557634.db2.gz CCBANAUTYYUDIQ-KXBFYZLASA-N 0 2 479.861 4.704 20 0 JJADLN Cc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)c(C)cc1Cl ZINC001437474220 1065558706 /nfs/dbraw/zinc/55/87/06/1065558706.db2.gz IBXGQFSYLXORGX-LPHOPBHVSA-N 0 2 456.867 4.773 20 0 JJADLN Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437700040 1065593301 /nfs/dbraw/zinc/59/33/01/1065593301.db2.gz CYAVXIGEAYJOQF-FQLMCAECSA-N 0 2 450.423 4.576 20 0 JJADLN O=C(COc1cccc(NC(=O)c2cc(Br)c(F)cc2O)c1)Nc1ccccc1 ZINC001441788050 1066069976 /nfs/dbraw/zinc/06/99/76/1066069976.db2.gz ANHIZBRBUGORCK-UHFFFAOYSA-N 0 2 459.271 4.564 20 0 JJADLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)[nH]n1 ZINC001442080812 1066091312 /nfs/dbraw/zinc/09/13/12/1066091312.db2.gz PURVLBGBQOSNKL-UHFFFAOYSA-N 0 2 452.458 4.683 20 0 JJADLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)n[nH]1 ZINC001442080812 1066091320 /nfs/dbraw/zinc/09/13/20/1066091320.db2.gz PURVLBGBQOSNKL-UHFFFAOYSA-N 0 2 452.458 4.683 20 0 JJADLN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(F)cc3O)cc2s1 ZINC001442104995 1066093688 /nfs/dbraw/zinc/09/36/88/1066093688.db2.gz NLFSXWRKLULUOU-UHFFFAOYSA-N 0 2 452.305 4.894 20 0 JJADLN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(Br)c(F)cc1O ZINC001442516621 1066132031 /nfs/dbraw/zinc/13/20/31/1066132031.db2.gz DEMQUCPCCXTOKN-UHFFFAOYSA-N 0 2 450.308 4.954 20 0 JJADLN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC001442755838 1066157143 /nfs/dbraw/zinc/15/71/43/1066157143.db2.gz OHWYIAOGPQOEFK-YLJYHZDGSA-N 0 2 453.608 4.909 20 0 JJADLN CN(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC001443018444 1066254086 /nfs/dbraw/zinc/25/40/86/1066254086.db2.gz AEVIYFAOFPUALP-UHFFFAOYSA-N 0 2 452.580 4.530 20 0 JJADLN Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 ZINC001443375423 1066303549 /nfs/dbraw/zinc/30/35/49/1066303549.db2.gz ZXEISZSESGEEMW-UHFFFAOYSA-N 0 2 456.574 4.628 20 0 JJADLN C[C@@H](c1ccc(Oc2ccccc2Cl)cc1Cl)N(C)C(=O)C[C@H]1SC(=N)NC1=O ZINC001455176969 1066367862 /nfs/dbraw/zinc/36/78/62/1066367862.db2.gz KSUSCPGEEJWEIZ-APPDUMDISA-N 0 2 452.363 4.862 20 0 JJADLN CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001443983395 1066390433 /nfs/dbraw/zinc/39/04/33/1066390433.db2.gz ALSVXXSSHOUREL-UHFFFAOYSA-N 0 2 451.367 4.941 20 0 JJADLN Cc1cc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1C(C)C ZINC001445077487 1066536234 /nfs/dbraw/zinc/53/62/34/1066536234.db2.gz DZWYBZFFDMVWTB-INIZCTEOSA-N 0 2 459.593 4.782 20 0 JJADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1Nc1ccccc1 ZINC001445079931 1066536921 /nfs/dbraw/zinc/53/69/21/1066536921.db2.gz LKFYCQOEIJAGTA-UHFFFAOYSA-N 0 2 450.545 4.940 20 0 JJADLN CCn1c(=O)c2ccc(C(=O)NCC3(Sc4ccc(C)cc4)CCCC3)cc2[nH]c1=S ZINC001445225909 1066547209 /nfs/dbraw/zinc/54/72/09/1066547209.db2.gz JJLZVFRIYMRDGD-UHFFFAOYSA-N 0 2 453.633 4.848 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)=N2)c1 ZINC001456271173 1066551750 /nfs/dbraw/zinc/55/17/50/1066551750.db2.gz QVAURCLRGBPYDR-AWEZNQCLSA-N 0 2 451.914 4.896 20 0 JJADLN C[C@H](NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1)c1c(F)cccc1Cl ZINC001445374551 1066564535 /nfs/dbraw/zinc/56/45/35/1066564535.db2.gz GXXOOFJIZRNGTQ-LBPRGKRZSA-N 0 2 457.914 4.610 20 0 JJADLN O=C(c1cc(Br)c(F)cc1O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001446403070 1066702599 /nfs/dbraw/zinc/70/25/99/1066702599.db2.gz ZLXDHSTXYJYNLE-QMMMGPOBSA-N 0 2 453.255 4.789 20 0 JJADLN CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc(Cl)cc(Br)c1O ZINC001457610596 1066877999 /nfs/dbraw/zinc/87/79/99/1066877999.db2.gz ZCXKJOMPGHPCOB-UHFFFAOYSA-N 0 2 452.688 4.661 20 0 JJADLN CCc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001457656927 1066890818 /nfs/dbraw/zinc/89/08/18/1066890818.db2.gz JNAHUGYYGUVAGU-UHFFFAOYSA-N 0 2 458.967 4.642 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CC(C)C)C2)ccc1Cl ZINC001457686647 1066897231 /nfs/dbraw/zinc/89/72/31/1066897231.db2.gz YUTDZDPDPIQHTM-INIZCTEOSA-N 0 2 450.988 4.658 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1ccc(-c2ccccc2)nc1C ZINC001457785350 1066919396 /nfs/dbraw/zinc/91/93/96/1066919396.db2.gz IACBLPPOBLLXDQ-XMMPIXPASA-N 0 2 454.574 4.910 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC001457788639 1066920614 /nfs/dbraw/zinc/92/06/14/1066920614.db2.gz MYIGKVBBWIPZFR-XMSQKQJNSA-N 0 2 455.599 4.793 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC001448623622 1066944818 /nfs/dbraw/zinc/94/48/18/1066944818.db2.gz UBLFVKYWTRGCNY-UHFFFAOYSA-N 0 2 452.429 4.805 20 0 JJADLN CCc1c(NC(=O)c2ncc(Br)cc2O)cnn1-c1cccc(C(F)(F)F)c1 ZINC001448920039 1066970035 /nfs/dbraw/zinc/97/00/35/1066970035.db2.gz CRWLVTZOPHLQOQ-UHFFFAOYSA-N 0 2 455.234 4.569 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCC2(c3ccccc3Br)CCC2)=N1 ZINC001450669504 1067100752 /nfs/dbraw/zinc/10/07/52/1067100752.db2.gz KOXOAHNKQADPCP-UHFFFAOYSA-N 0 2 458.331 4.640 20 0 JJADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cccc(NC(=O)c4ccccc4)c3)=N2)c1 ZINC001545823068 1067164318 /nfs/dbraw/zinc/16/43/18/1067164318.db2.gz ZOXZKZAWEFBRKO-UHFFFAOYSA-N 0 2 454.530 4.884 20 0 JJADLN CC(C)(C)c1ccc2cc(C(=O)N3C[C@H](NC(=O)C(F)(F)F)CC[C@H]3C(F)(F)F)[nH]c2c1 ZINC001452354653 1067220858 /nfs/dbraw/zinc/22/08/58/1067220858.db2.gz HALAKDYTOAEWRK-CJNGLKHVSA-N 0 2 463.422 4.679 20 0 JJADLN O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C1)C(F)(F)F ZINC001452355323 1067220879 /nfs/dbraw/zinc/22/08/79/1067220879.db2.gz INPUTXJNWACPMF-HIFRSBDPSA-N 0 2 467.797 4.549 20 0 JJADLN O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC001453685637 1067322424 /nfs/dbraw/zinc/32/24/24/1067322424.db2.gz SRGVKMHAZXYNHH-QZTJIDSGSA-N 0 2 459.295 4.599 20 0 JJADLN CC[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC001463073055 1068277381 /nfs/dbraw/zinc/27/73/81/1068277381.db2.gz HRXUKNVGAGVPPA-ZDUSSCGKSA-N 0 2 451.322 4.530 20 0 JJADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1C[C@H]1C(F)(F)F ZINC001463558531 1068441826 /nfs/dbraw/zinc/44/18/26/1068441826.db2.gz AGSGHVDVMDFEIS-VXGBXAGGSA-N 0 2 453.269 4.931 20 0 JJADLN Cc1ccc(NC(=O)c2cc(F)cc(F)c2O)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001463562138 1068444298 /nfs/dbraw/zinc/44/42/98/1068444298.db2.gz BQHZAIYNTNAEOG-UHFFFAOYSA-N 0 2 452.866 4.685 20 0 JJADLN CCN(Cc1ccccc1C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001464067361 1068604256 /nfs/dbraw/zinc/60/42/56/1068604256.db2.gz UCJRWSISPWEYQO-UHFFFAOYSA-N 0 2 457.599 4.899 20 0 JJADLN Cc1ccccc1OCCCN(C)C(=O)c1cc(Br)cc(Br)c1O ZINC001464345383 1068713813 /nfs/dbraw/zinc/71/38/13/1068713813.db2.gz XORRMIIVXKDOFC-UHFFFAOYSA-N 0 2 457.162 4.767 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)=N2)cc1 ZINC001464388644 1068728432 /nfs/dbraw/zinc/72/84/32/1068728432.db2.gz QHKWQYNZQCQVGB-UHFFFAOYSA-N 0 2 453.970 4.833 20 0 JJADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H](C)c1cc2ccccc2o1 ZINC001464447787 1068749436 /nfs/dbraw/zinc/74/94/36/1068749436.db2.gz DLZQEOARQJKJOX-OAHLLOKOSA-N 0 2 455.561 4.913 20 0 JJADLN CC(C)OCc1ccccc1CNC(=O)c1cc(Br)cc(Br)c1O ZINC001464526086 1068772845 /nfs/dbraw/zinc/77/28/45/1068772845.db2.gz IKBCSZJCAGPAQV-UHFFFAOYSA-N 0 2 457.162 4.772 20 0 JJADLN O=C(Nc1ccccc1OCc1cccc(Cl)c1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001360458969 1065359635 /nfs/dbraw/zinc/35/96/35/1065359635.db2.gz DAFZZPLEVAICJC-UHFFFAOYSA-N 0 2 452.816 4.943 20 0 JJADLN CC(C)C[C@@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1cccc(C(F)(F)F)c1 ZINC001360812200 1065925327 /nfs/dbraw/zinc/92/53/27/1065925327.db2.gz RXDQRQSNWOWIDL-OAHLLOKOSA-N 0 2 450.379 4.994 20 0 JJADLN C[C@@H](CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@H]1CCCO1 ZINC001440380189 1065934894 /nfs/dbraw/zinc/93/48/94/1065934894.db2.gz PTQXADDSJCULJZ-SCLBCKFNSA-N 0 2 457.379 4.938 20 0 JJADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1O ZINC001440737286 1065973221 /nfs/dbraw/zinc/97/32/21/1065973221.db2.gz JGDGYFLLTKRZFL-UHFFFAOYSA-N 0 2 454.401 4.603 20 0 JJADLN O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)c1cc(Br)c(F)cc1O ZINC001442241326 1066107272 /nfs/dbraw/zinc/10/72/72/1066107272.db2.gz YDFRHLSIMOCLNZ-UHFFFAOYSA-N 0 2 450.304 4.654 20 0 JJADLN Cc1[nH]c2ccc(CNC(=O)c3cc(Br)cc(Br)c3O)cc2c1C ZINC001442410413 1066126221 /nfs/dbraw/zinc/12/62/21/1066126221.db2.gz FODLUGAGLQRPJA-UHFFFAOYSA-N 0 2 452.146 4.945 20 0 JJADLN CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC001442755829 1066157224 /nfs/dbraw/zinc/15/72/24/1066157224.db2.gz OHWYIAOGPQOEFK-PXNSSMCTSA-N 0 2 453.608 4.909 20 0 JJADLN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3n[nH]c(C(C)C)n3)cc2)c(C)c1C ZINC001442968849 1066247743 /nfs/dbraw/zinc/24/77/43/1066247743.db2.gz QQFDIXYJPZPNHR-UHFFFAOYSA-N 0 2 455.584 4.523 20 0 JJADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC001443008866 1066251902 /nfs/dbraw/zinc/25/19/02/1066251902.db2.gz HBFZOGKUJASDGD-HNNXBMFYSA-N 0 2 459.921 4.906 20 0 JJADLN Cc1cnc2c(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)cccc2c1Cl ZINC001454221922 1066255621 /nfs/dbraw/zinc/25/56/21/1066255621.db2.gz NWZPESZVOGDVSD-UHFFFAOYSA-N 0 2 458.952 4.706 20 0 JJADLN O=C(NCc1csc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O ZINC001454488353 1066291184 /nfs/dbraw/zinc/29/11/84/1066291184.db2.gz CVWXPLPSMZDZFO-UHFFFAOYSA-N 0 2 459.081 4.928 20 0 JJADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3C)cc2[nH]c1=S ZINC001443963582 1066387937 /nfs/dbraw/zinc/38/79/37/1066387937.db2.gz HWTKZCISRFNSCM-NRFANRHFSA-N 0 2 453.608 4.547 20 0 JJADLN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)s1 ZINC001455935147 1066455182 /nfs/dbraw/zinc/45/51/82/1066455182.db2.gz SSBAMWLIPGIOKR-UHFFFAOYSA-N 0 2 450.545 4.567 20 0 JJADLN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc4ccccc43)cc2)s1 ZINC001455937255 1066455821 /nfs/dbraw/zinc/45/58/21/1066455821.db2.gz DQJZBGWRUWFHCE-UHFFFAOYSA-N 0 2 458.952 4.706 20 0 JJADLN CCSCC[C@@H](C)N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC001444693090 1066493711 /nfs/dbraw/zinc/49/37/11/1066493711.db2.gz YOEMQAKIDHSYFA-QGZVFWFLSA-N 0 2 455.649 4.532 20 0 JJADLN O=C(CCOc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001445078946 1066536883 /nfs/dbraw/zinc/53/68/83/1066536883.db2.gz JTCUJBLHSRPZCK-UHFFFAOYSA-N 0 2 453.545 4.505 20 0 JJADLN CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001445084364 1066538085 /nfs/dbraw/zinc/53/80/85/1066538085.db2.gz UPEVDILPSNCLQU-LJQANCHMSA-N 0 2 459.593 4.863 20 0 JJADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cc(C3CCCCC3)nn2C)cc1 ZINC001445517234 1066579801 /nfs/dbraw/zinc/57/98/01/1066579801.db2.gz HYLQENQQXSHCNH-UHFFFAOYSA-N 0 2 458.609 4.891 20 0 JJADLN Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc(C)c1OCC(=O)N1CCCCC1 ZINC001446232313 1066675754 /nfs/dbraw/zinc/67/57/54/1066675754.db2.gz NCRQJHYHKXFISQ-UHFFFAOYSA-N 0 2 451.350 4.959 20 0 JJADLN O=C(CCCc1csc2ccccc12)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC001446279533 1066685362 /nfs/dbraw/zinc/68/53/62/1066685362.db2.gz CXPGWMZPDSYZGL-UHFFFAOYSA-N 0 2 458.590 4.515 20 0 JJADLN O=C(Nc1ccc(O)c(Cl)c1)c1ccc2c(=O)n(CCc3ccccc3)c(=S)[nH]c2c1 ZINC001446465946 1066706930 /nfs/dbraw/zinc/70/69/30/1066706930.db2.gz IEFLMFZVMVSMLC-UHFFFAOYSA-N 0 2 451.935 4.539 20 0 JJADLN CCOc1ccc([C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2cccc(Cl)c2)cc1 ZINC001446514565 1066712812 /nfs/dbraw/zinc/71/28/12/1066712812.db2.gz HNYPHYZFNQCDPS-RBUKOAKNSA-N 0 2 456.892 4.647 20 0 JJADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)=N2)cc1 ZINC001447248091 1066784973 /nfs/dbraw/zinc/78/49/73/1066784973.db2.gz HASWVZXFRMRAEO-OAQYLSRUSA-N 0 2 457.477 4.516 20 0 JJADLN O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC001457525244 1066851573 /nfs/dbraw/zinc/85/15/73/1066851573.db2.gz LEYJZGWNZVUROY-UHFFFAOYSA-N 0 2 457.783 4.771 20 0 JJADLN Nc1c(Cl)cc(C(=O)Nc2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1Cl ZINC001457527655 1066852380 /nfs/dbraw/zinc/85/23/80/1066852380.db2.gz VNNHFCRTSJBQFK-UHFFFAOYSA-N 0 2 454.179 4.597 20 0 JJADLN CC(C)(C)O[C@@H](C(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1 ZINC001457528487 1066852868 /nfs/dbraw/zinc/85/28/68/1066852868.db2.gz XFPOEWTXVMQSST-GFCCVEGCSA-N 0 2 456.408 4.950 20 0 JJADLN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1)c1ccc(F)cc1 ZINC001457528497 1066852968 /nfs/dbraw/zinc/85/29/68/1066852968.db2.gz XGGYIOPOJNBFDO-UHFFFAOYSA-N 0 2 452.913 4.886 20 0 JJADLN CCn1c2cc(Br)ccc2nc1NC(=O)c1cc(Br)cc(F)c1O ZINC001457730492 1066905777 /nfs/dbraw/zinc/90/57/77/1066905777.db2.gz HXSZTUIDXQLCOY-UHFFFAOYSA-N 0 2 457.097 4.678 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC001457788625 1066920230 /nfs/dbraw/zinc/92/02/30/1066920230.db2.gz MYIGKVBBWIPZFR-AVRDEDQJSA-N 0 2 455.599 4.793 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001457788661 1066920552 /nfs/dbraw/zinc/92/05/52/1066920552.db2.gz NCZVTDLDCLVOCR-CPJSRVTESA-N 0 2 457.574 4.846 20 0 JJADLN CCc1onc(-c2ccccc2)c1C(=O)NCC[C@@H]1C(=O)N(Cc2ccccc2C)N=C1CC ZINC001457789637 1066921405 /nfs/dbraw/zinc/92/14/05/1066921405.db2.gz OTXMDJXOVFBHPG-NRFANRHFSA-N 0 2 458.562 4.757 20 0 JJADLN Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2O)C1 ZINC001457806819 1066925026 /nfs/dbraw/zinc/92/50/26/1066925026.db2.gz ONDOTWVKVSNXPM-OAHLLOKOSA-N 0 2 455.755 4.963 20 0 JJADLN CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001457817485 1066927512 /nfs/dbraw/zinc/92/75/12/1066927512.db2.gz GCFDUPSARWKFLJ-RDJZCZTQSA-N 0 2 450.988 4.706 20 0 JJADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(c3ccc(Br)cc3)CC2)=N1 ZINC001448439219 1066927609 /nfs/dbraw/zinc/92/76/09/1066927609.db2.gz ZDPGEXYKFWAJKC-UHFFFAOYSA-N 0 2 458.331 4.808 20 0 JJADLN O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1c(O)cc(Cl)cc1Cl ZINC001457849639 1066931825 /nfs/dbraw/zinc/93/18/25/1066931825.db2.gz AQACMZMDMYTRIL-UHFFFAOYSA-N 0 2 451.331 4.893 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)CCn1ccc2ccccc21 ZINC001448621851 1066944361 /nfs/dbraw/zinc/94/43/61/1066944361.db2.gz PWPFHKGIZHRRMA-UHFFFAOYSA-N 0 2 451.523 4.918 20 0 JJADLN O=C(NCCC1(O)CCN(c2ccccc2)CC1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001457971499 1066950239 /nfs/dbraw/zinc/95/02/39/1066950239.db2.gz JWXYQFFKVHTOKC-UHFFFAOYSA-N 0 2 450.966 4.864 20 0 JJADLN CC(C)CC1(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccccc2Cl)c3=O)CC1 ZINC001545720737 1066975236 /nfs/dbraw/zinc/97/52/36/1066975236.db2.gz CRRSJLYIPPGTLL-UHFFFAOYSA-N 0 2 456.011 4.943 20 0 JJADLN CC(=O)N(c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1)[C@H]1C[C@@H]1C ZINC001450081706 1067048921 /nfs/dbraw/zinc/04/89/21/1067048921.db2.gz VWWCQDIDVPBEIS-UGSOOPFHSA-N 0 2 453.340 4.853 20 0 JJADLN CC1(C)CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21 ZINC001545833429 1067183603 /nfs/dbraw/zinc/18/36/03/1067183603.db2.gz XYFKUFSKTKWPJS-KRWDZBQOSA-N 0 2 455.605 4.529 20 0 JJADLN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c2ccccc21 ZINC001452746641 1067248060 /nfs/dbraw/zinc/24/80/60/1067248060.db2.gz RGJMZSHLNVXLNT-OALUTQOASA-N 0 2 453.926 4.531 20 0 JJADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001452857338 1067257558 /nfs/dbraw/zinc/25/75/58/1067257558.db2.gz SKNWMTOGTBEPQG-UHFFFAOYSA-N 0 2 451.741 4.501 20 0 JJADLN COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(F)cc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460359607 1067617836 /nfs/dbraw/zinc/61/78/36/1067617836.db2.gz GPEQMJLSHFRMHK-UVIMBBFXSA-N 0 2 460.418 4.710 20 0 JJADLN COc1ccc([C@@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460359607 1067617841 /nfs/dbraw/zinc/61/78/41/1067617841.db2.gz GPEQMJLSHFRMHK-UVIMBBFXSA-N 0 2 460.418 4.710 20 0 JJADLN O=C(Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1ccc(Oc2cccc(F)c2)cn1 ZINC001462005688 1067978611 /nfs/dbraw/zinc/97/86/11/1067978611.db2.gz DODHBGICBHNZRU-UHFFFAOYSA-N 0 2 451.351 4.583 20 0 JJADLN COc1cc(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)ccc1OCCC(C)C ZINC001462008197 1067979132 /nfs/dbraw/zinc/97/91/32/1067979132.db2.gz MTNKCIGHSMJWOC-UHFFFAOYSA-N 0 2 456.436 4.690 20 0 JJADLN COC(=O)[C@H](NCc1cc(Br)c(O)c(Br)c1)c1cc(C)cc(C)c1 ZINC001462119757 1068008237 /nfs/dbraw/zinc/00/82/37/1068008237.db2.gz USQJUHVGMUNJHL-MRXNPFEDSA-N 0 2 457.162 4.538 20 0 JJADLN O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c(F)cc(Br)cc1F ZINC001462972799 1068234122 /nfs/dbraw/zinc/23/41/22/1068234122.db2.gz TYDCVHASUWRRTM-QMTHXVAHSA-N 0 2 456.230 4.581 20 0 JJADLN Cc1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(OCCCC(C)C)c1 ZINC001463307803 1068351098 /nfs/dbraw/zinc/35/10/98/1068351098.db2.gz LKMJYPHWOJKLRG-UHFFFAOYSA-N 0 2 451.457 4.984 20 0 JJADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC001463667698 1068489044 /nfs/dbraw/zinc/48/90/44/1068489044.db2.gz MMWRDGRLTLVJDY-UHFFFAOYSA-N 0 2 458.697 4.504 20 0 JJADLN CC1(NS(=O)(=O)c2scc(Br)c2Br)CCC(F)(F)CC1 ZINC001464081620 1068608275 /nfs/dbraw/zinc/60/82/75/1068608275.db2.gz FDIMFQCJMVUQQD-UHFFFAOYSA-N 0 2 453.168 4.519 20 0 JJADLN C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)C1 ZINC001464086211 1068609736 /nfs/dbraw/zinc/60/97/36/1068609736.db2.gz CPQSKEVVBFFICT-GDBMZVCRSA-N 0 2 454.951 4.814 20 0 JJADLN CC(C)(CNS(=O)(=O)c1scc(Br)c1Br)CC(F)(F)F ZINC001464142097 1068632487 /nfs/dbraw/zinc/63/24/87/1068632487.db2.gz OBAKWCBIRHFRIS-UHFFFAOYSA-N 0 2 459.147 4.530 20 0 JJADLN O=C(Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)[C@@H]1C[C@H]1C1CCC1 ZINC001464181371 1068645812 /nfs/dbraw/zinc/64/58/12/1068645812.db2.gz KHLVQLQRCFSTMX-DLBZAZTESA-N 0 2 467.360 4.764 20 0 JJADLN CC(C)c1c(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cnn1-c1ccc(Cl)cc1 ZINC001436118378 1065191621 /nfs/dbraw/zinc/19/16/21/1065191621.db2.gz GJRUTOJYGBBGGW-UHFFFAOYSA-N 0 2 454.836 4.673 20 0 JJADLN CCCc1ccc(CCCC(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437136980 1065511986 /nfs/dbraw/zinc/51/19/86/1065511986.db2.gz ZQRAYFWVTLEYQQ-SJORKVTESA-N 0 2 452.439 4.562 20 0 JJADLN CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1 ZINC001437701785 1065593125 /nfs/dbraw/zinc/59/31/25/1065593125.db2.gz GNCCWNBGYNLWDA-JQFCIGGWSA-N 0 2 452.439 4.589 20 0 JJADLN CC(C)Cc1ccc(CCCC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437699868 1065593458 /nfs/dbraw/zinc/59/34/58/1065593458.db2.gz BUPGAPQBWJAHFN-ROUUACIJSA-N 0 2 466.466 4.808 20 0 JJADLN C[C@H](CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@H]1CCCO1 ZINC001440380185 1065934668 /nfs/dbraw/zinc/93/46/68/1065934668.db2.gz PTQXADDSJCULJZ-FZKQIMNGSA-N 0 2 457.379 4.938 20 0 JJADLN Cc1cccc(Oc2ccccc2NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC001440434893 1065940955 /nfs/dbraw/zinc/94/09/55/1065940955.db2.gz QWFMBYVEQZXVMR-UHFFFAOYSA-N 0 2 452.532 4.530 20 0 JJADLN CCN(Cc1ccc(C)cc1)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC001441123037 1066009344 /nfs/dbraw/zinc/00/93/44/1066009344.db2.gz CPXKGKJIGHYKGD-UHFFFAOYSA-N 0 2 456.539 4.606 20 0 JJADLN CC(C)c1cnc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)s1 ZINC001444261657 1066437762 /nfs/dbraw/zinc/43/77/62/1066437762.db2.gz BEBVLXIYCNNRRT-UHFFFAOYSA-N 0 2 451.957 4.679 20 0 JJADLN Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)C/C=C/c3ccc(C(C)C)cc3)cc2)s1 ZINC001455927385 1066452570 /nfs/dbraw/zinc/45/25/70/1066452570.db2.gz BDUIBOCTRPFHCD-SNAWJCMRSA-N 0 2 456.593 4.813 20 0 JJADLN Cc1nc(-c2cccc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)c2)cs1 ZINC001445082751 1066537561 /nfs/dbraw/zinc/53/75/61/1066537561.db2.gz RBTUTGOGRIJWLX-UHFFFAOYSA-N 0 2 456.574 4.628 20 0 JJADLN C[C@@H](NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1)c1c(F)cccc1Cl ZINC001445374545 1066564390 /nfs/dbraw/zinc/56/43/90/1066564390.db2.gz GXXOOFJIZRNGTQ-GFCCVEGCSA-N 0 2 457.914 4.610 20 0 JJADLN O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC001457613446 1066878532 /nfs/dbraw/zinc/87/85/32/1066878532.db2.gz QGGVKPZEWAJNRJ-UHFFFAOYSA-N 0 2 452.913 4.840 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1occc1COc1ccccc1 ZINC001457785385 1066919539 /nfs/dbraw/zinc/91/95/39/1066919539.db2.gz IKFXFCFZQDBMSP-HSZRJFAPSA-N 0 2 459.546 4.712 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)CCc1ccc(OC)c(Cl)c1 ZINC001457790771 1066921732 /nfs/dbraw/zinc/92/17/32/1066921732.db2.gz ZJQVAVPTRPLOKL-HXUWFJFHSA-N 0 2 455.986 4.521 20 0 JJADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc2c(ccnc2Cl)s1 ZINC001457792337 1066922196 /nfs/dbraw/zinc/92/21/96/1066922196.db2.gz VGLCTCTXDBEAQF-MRXNPFEDSA-N 0 2 454.983 4.803 20 0 JJADLN O=C(Nc1cc(Cl)c(O)cc1F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC001457807476 1066925542 /nfs/dbraw/zinc/92/55/42/1066925542.db2.gz QQQIOWXGGFQMEF-UHFFFAOYSA-N 0 2 455.294 4.891 20 0 JJADLN CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC001457817469 1066927463 /nfs/dbraw/zinc/92/74/63/1066927463.db2.gz GCFDUPSARWKFLJ-NVXWUHKLSA-N 0 2 450.988 4.706 20 0 JJADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC001448618223 1066942691 /nfs/dbraw/zinc/94/26/91/1066942691.db2.gz UUJKFUWIYFRXRA-UHFFFAOYSA-N 0 2 452.532 4.721 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC001448618078 1066942976 /nfs/dbraw/zinc/94/29/76/1066942976.db2.gz FJCGBBUAVMZULN-UHFFFAOYSA-N 0 2 450.438 4.789 20 0 JJADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ncccc1C(F)(F)F ZINC001448620063 1066944013 /nfs/dbraw/zinc/94/40/13/1066944013.db2.gz MEVLOADYEPMHOB-UHFFFAOYSA-N 0 2 453.417 4.601 20 0 JJADLN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc3ccccc3)c(F)cc1C)C2 ZINC001448625035 1066945417 /nfs/dbraw/zinc/94/54/17/1066945417.db2.gz YAJJOISSNDJOKB-OAQYLSRUSA-N 0 2 456.564 4.899 20 0 JJADLN COC(=O)c1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc(Cl)c1F ZINC001448803810 1066958938 /nfs/dbraw/zinc/95/89/38/1066958938.db2.gz FJSIPLGSKDJNCI-UHFFFAOYSA-N 0 2 452.667 4.671 20 0 JJADLN O=C(c1cc(Br)cc(Br)c1O)N1Cc2ccccc2C2(CCC2)C1 ZINC001449282770 1066995425 /nfs/dbraw/zinc/99/54/25/1066995425.db2.gz DAYIKKMMPLGQLT-UHFFFAOYSA-N 0 2 451.158 4.995 20 0 JJADLN CC[C@](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)(C(=O)OC)c1ccc(Cl)cc1 ZINC001449354717 1067002344 /nfs/dbraw/zinc/00/23/44/1067002344.db2.gz ZDFGWNIZBUKGFO-XMMPIXPASA-N 0 2 455.942 4.563 20 0 JJADLN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c2ccccc21 ZINC001452746643 1067248022 /nfs/dbraw/zinc/24/80/22/1067248022.db2.gz RGJMZSHLNVXLNT-RBUKOAKNSA-N 0 2 453.926 4.531 20 0 JJADLN CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c2ccccc21 ZINC001452746645 1067248154 /nfs/dbraw/zinc/24/81/54/1067248154.db2.gz RGJMZSHLNVXLNT-RTBURBONSA-N 0 2 453.926 4.531 20 0 JJADLN CC(C)c1c(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cnn1-c1ccccc1Cl ZINC001459759886 1067411489 /nfs/dbraw/zinc/41/14/89/1067411489.db2.gz JDFJRHFOFSUPOS-UHFFFAOYSA-N 0 2 454.836 4.673 20 0 JJADLN COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3c(F)cccc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358881 1067617793 /nfs/dbraw/zinc/61/77/93/1067617793.db2.gz FGTGLVNGXNVMGJ-IAISJRAMSA-N 0 2 460.418 4.710 20 0 JJADLN COc1ccc([C@@H]2CC[N@H+]([C@H](C)c3c(F)cccc3F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460358881 1067617798 /nfs/dbraw/zinc/61/77/98/1067617798.db2.gz FGTGLVNGXNVMGJ-IAISJRAMSA-N 0 2 460.418 4.710 20 0 JJADLN O=C(CC(c1ccccc1)c1ccccc1)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001461183791 1067794576 /nfs/dbraw/zinc/79/45/76/1067794576.db2.gz LOFWRHVIPHXPDT-MJGOQNOKSA-N 0 2 472.429 4.809 20 0 JJADLN CC(C)C[C@@H](NCc1cc(Br)c(O)c(Br)c1)C(=O)OC(C)(C)C ZINC001462023827 1067983290 /nfs/dbraw/zinc/98/32/90/1067983290.db2.gz QZHPCFSZXHIHAZ-CQSZACIVSA-N 0 2 451.199 4.763 20 0 JJADLN CC1(C)C[C@H](C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)CCO1 ZINC001463562888 1068444850 /nfs/dbraw/zinc/44/48/50/1068444850.db2.gz SNJLKLSWMGVINU-CYBMUJFWSA-N 0 2 457.379 4.938 20 0 JJADLN CC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)c1ccc(Cl)cc1 ZINC001463879053 1068554110 /nfs/dbraw/zinc/55/41/10/1068554110.db2.gz VLAUFDOQROOZNA-IBGZPJMESA-N 0 2 453.951 4.861 20 0 JJADLN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)cc(F)c1O ZINC001463913992 1068563502 /nfs/dbraw/zinc/56/35/02/1068563502.db2.gz JRBAUSNSKAEQJF-UHFFFAOYSA-N 0 2 452.198 4.590 20 0 JJADLN O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001464178943 1068645041 /nfs/dbraw/zinc/64/50/41/1068645041.db2.gz MJCMBNSXPQULLT-OAQYLSRUSA-N 0 2 455.605 4.995 20 0 JJADLN COc1cc2c(cc1OC)CN(Cc1ccccc1NC(=O)c1cc(Cl)ccc1O)CC2 ZINC001464539935 1068776311 /nfs/dbraw/zinc/77/63/11/1068776311.db2.gz DBUGJXONXZHSME-UHFFFAOYSA-N 0 2 452.938 4.873 20 0 JJADLN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3nc4ccc(Br)cn4c3F)n2)cc1 ZINC001464632646 1068804597 /nfs/dbraw/zinc/80/45/97/1068804597.db2.gz LWKAUNLJKUOJCN-UHFFFAOYSA-N 0 2 457.307 4.571 20 0 JJADLN